NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
638517 | 5zsy | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 4.795 16.604 -3.660 2 HA2 GLY 1 HA1 GLY 1 6.836 15.921 -4.786 3 HA3 GLY 1 HA2 GLY 1 7.754 16.706 -3.480 4 H HIS 2 HN HIS 2 6.335 13.746 -4.526 5 HA HIS 2 HA HIS 2 5.445 12.627 -2.157 6 HB2 HIS 2 HB2 HIS 2 6.612 11.326 -4.638 7 HB3 HIS 2 HB3 HIS 2 5.857 10.421 -3.332 8 HD1 HIS 2 HD1 HIS 2 4.924 12.248 -6.439 9 HD2 HIS 2 HD2 HIS 2 3.172 11.170 -2.752 10 HE1 HIS 2 HE1 HIS 2 2.421 12.492 -6.751 11 H MET 3 HN MET 3 8.848 12.750 -3.235 12 HA MET 3 HA MET 3 10.781 12.051 -2.176 13 HB2 MET 3 HB2 MET 3 9.176 13.270 0.094 14 HB3 MET 3 HB3 MET 3 10.922 13.002 0.109 15 HG2 MET 3 HG2 MET 3 11.234 14.534 -1.747 16 HG3 MET 3 HG3 MET 3 9.494 14.728 -1.942 17 HE1 MET 3 HE1 MET 3 12.674 15.707 -0.236 18 HE2 MET 3 HE2 MET 3 12.207 16.617 1.216 19 HE3 MET 3 HE3 MET 3 12.047 14.841 1.179 20 H ASP 4 HN ASP 4 10.191 9.699 -2.539 21 HA ASP 4 HA ASP 4 10.186 7.599 -1.996 22 HB2 ASP 4 HB2 ASP 4 11.463 8.775 0.405 23 HB3 ASP 4 HB3 ASP 4 10.743 7.196 0.571 24 H THR 5 HN THR 5 8.208 7.076 -2.428 25 HA THR 5 HA THR 5 6.361 6.556 -0.192 26 HB THR 5 HB THR 5 5.510 7.924 -2.759 27 HG1 THR 5 HG1 THR 5 6.564 9.045 -0.721 28 HG21 THR 5 HG21 THR 5 3.301 8.176 -1.666 29 HG22 THR 5 HG22 THR 5 3.856 7.154 -0.323 30 HG23 THR 5 HG23 THR 5 3.717 6.485 -1.973 31 H ILE 6 HN ILE 6 5.646 4.510 -0.375 32 HA ILE 6 HA ILE 6 5.919 3.061 -2.952 33 HB ILE 6 HB ILE 6 5.071 1.947 -0.259 34 HG12 ILE 6 HG12 ILE 6 7.822 1.860 -1.549 35 HG13 ILE 6 HG13 ILE 6 7.372 2.679 -0.049 36 HG21 ILE 6 HG21 ILE 6 5.838 0.581 -2.860 37 HG22 ILE 6 HG22 ILE 6 5.380 -0.238 -1.356 38 HG23 ILE 6 HG23 ILE 6 4.200 0.724 -2.212 39 HD11 ILE 6 HD11 ILE 6 8.464 0.678 0.581 40 HD12 ILE 6 HD12 ILE 6 6.744 0.458 0.944 41 HD13 ILE 6 HD13 ILE 6 7.475 -0.314 -0.491 42 H ILE 7 HN ILE 7 4.078 2.697 -4.068 43 HA ILE 7 HA ILE 7 1.462 3.600 -2.970 44 HB ILE 7 HB ILE 7 2.453 3.457 -5.793 45 HG12 ILE 7 HG12 ILE 7 1.434 6.013 -4.766 46 HG13 ILE 7 HG13 ILE 7 2.968 5.488 -4.102 47 HG21 ILE 7 HG21 ILE 7 -0.329 4.294 -4.918 48 HG22 ILE 7 HG22 ILE 7 0.353 4.503 -6.541 49 HG23 ILE 7 HG23 ILE 7 0.100 2.872 -5.899 50 HD11 ILE 7 HD11 ILE 7 3.130 6.900 -6.154 51 HD12 ILE 7 HD12 ILE 7 3.937 5.321 -6.325 52 HD13 ILE 7 HD13 ILE 7 2.357 5.613 -7.088 53 H LEU 8 HN LEU 8 -0.267 2.283 -3.347 54 HA LEU 8 HA LEU 8 0.281 -0.566 -4.098 55 HB2 LEU 8 HB2 LEU 8 -1.749 0.411 -2.061 56 HB3 LEU 8 HB3 LEU 8 -1.583 -1.245 -2.622 57 HG LEU 8 HG LEU 8 0.456 0.286 -0.966 58 HD11 LEU 8 HD11 LEU 8 -1.563 -0.389 0.260 59 HD12 LEU 8 HD12 LEU 8 -0.203 -1.395 0.763 60 HD13 LEU 8 HD13 LEU 8 -1.419 -2.047 -0.354 61 HD21 LEU 8 HD21 LEU 8 0.536 -2.578 -2.043 62 HD22 LEU 8 HD22 LEU 8 1.635 -1.929 -0.813 63 HD23 LEU 8 HD23 LEU 8 1.658 -1.265 -2.441 64 H ARG 9 HN ARG 9 -1.607 -1.631 -4.973 65 HA ARG 9 HA ARG 9 -3.702 0.024 -6.287 66 HB2 ARG 9 HB2 ARG 9 -1.436 -1.544 -7.490 67 HB3 ARG 9 HB3 ARG 9 -2.980 -1.527 -8.364 68 HG2 ARG 9 HG2 ARG 9 -2.816 0.933 -8.493 69 HG3 ARG 9 HG3 ARG 9 -1.260 0.825 -7.631 70 HD2 ARG 9 HD2 ARG 9 -0.110 0.162 -9.447 71 HD3 ARG 9 HD3 ARG 9 -1.341 -0.998 -9.953 72 HE ARG 9 HE ARG 9 -2.525 1.393 -10.545 73 HH11 ARG 9 HH11 ARG 9 0.649 0.103 -11.468 74 HH12 ARG 9 HH12 ARG 9 0.868 1.196 -12.797 75 HH21 ARG 9 HH21 ARG 9 -2.374 2.588 -12.490 76 HH22 ARG 9 HH22 ARG 9 -0.957 2.439 -13.485 77 H ASN 10 HN ASN 10 -5.201 -1.485 -7.433 78 HA ASN 10 HA ASN 10 -6.560 -3.230 -7.598 79 HB2 ASN 10 HB2 ASN 10 -4.277 -4.192 -8.332 80 HB3 ASN 10 HB3 ASN 10 -4.280 -5.054 -6.793 81 HD21 ASN 10 HD21 ASN 10 -4.856 -7.101 -7.255 82 HD22 ASN 10 HD22 ASN 10 -6.104 -7.662 -8.315 83 H LEU 11 HN LEU 11 -6.436 -1.885 -5.057 84 HA LEU 11 HA LEU 11 -7.018 -3.898 -3.000 85 HB2 LEU 11 HB2 LEU 11 -7.751 -0.948 -3.022 86 HB3 LEU 11 HB3 LEU 11 -7.682 -1.988 -1.632 87 HG LEU 11 HG LEU 11 -5.248 -1.140 -3.297 88 HD11 LEU 11 HD11 LEU 11 -6.353 0.741 -2.110 89 HD12 LEU 11 HD12 LEU 11 -4.725 0.368 -1.523 90 HD13 LEU 11 HD13 LEU 11 -6.155 -0.125 -0.575 91 HD21 LEU 11 HD21 LEU 11 -3.871 -1.966 -1.516 92 HD22 LEU 11 HD22 LEU 11 -4.933 -3.273 -2.040 93 HD23 LEU 11 HD23 LEU 11 -5.289 -2.376 -0.539 94 H ASN 12 HN ASN 12 -9.107 -4.725 -2.610 95 HA ASN 12 HA ASN 12 -11.144 -4.322 -4.634 96 HB2 ASN 12 HB2 ASN 12 -10.669 -6.195 -2.367 97 HB3 ASN 12 HB3 ASN 12 -12.286 -5.632 -2.390 98 HD21 ASN 12 HD21 ASN 12 -12.624 -8.070 -2.700 99 HD22 ASN 12 HD22 ASN 12 -12.789 -8.527 -4.354 100 HA PRO 13 HA PRO 13 -13.597 -1.163 -2.825 101 HB2 PRO 13 HB2 PRO 13 -16.130 -2.483 -2.783 102 HB3 PRO 13 HB3 PRO 13 -15.419 -1.486 -4.097 103 HG2 PRO 13 HG2 PRO 13 -15.461 -4.476 -3.733 104 HG3 PRO 13 HG3 PRO 13 -15.616 -3.535 -5.249 105 HD2 PRO 13 HD2 PRO 13 -13.351 -4.747 -4.619 106 HD3 PRO 13 HD3 PRO 13 -13.319 -3.124 -5.364 107 H HIS 14 HN HIS 14 -14.534 -4.368 -1.460 108 HA HIS 14 HA HIS 14 -15.466 -3.315 1.012 109 HB2 HIS 14 HB2 HIS 14 -14.785 -6.104 0.008 110 HB3 HIS 14 HB3 HIS 14 -15.338 -5.819 1.653 111 HD1 HIS 14 HD1 HIS 14 -17.874 -5.289 2.042 112 HD2 HIS 14 HD2 HIS 14 -16.660 -5.387 -1.982 113 HE1 HIS 14 HE1 HIS 14 -20.006 -5.272 0.637 114 H SER 15 HN SER 15 -12.189 -3.857 0.059 115 HA SER 15 HA SER 15 -11.248 -4.910 2.567 116 HB2 SER 15 HB2 SER 15 -9.801 -3.492 0.295 117 HB3 SER 15 HB3 SER 15 -9.026 -4.433 1.580 118 HG SER 15 HG SER 15 -10.624 -6.127 0.840 119 H THR 16 HN THR 16 -9.498 -3.711 3.891 120 HA THR 16 HA THR 16 -9.703 -0.861 3.895 121 HB THR 16 HB THR 16 -11.632 -1.408 5.308 122 HG1 THR 16 HG1 THR 16 -11.014 0.319 6.074 123 HG21 THR 16 HG21 THR 16 -9.658 -2.816 7.151 124 HG22 THR 16 HG22 THR 16 -11.048 -3.540 6.300 125 HG23 THR 16 HG23 THR 16 -11.313 -2.353 7.575 126 H MET 17 HN MET 17 -8.152 -0.269 5.967 127 HA MET 17 HA MET 17 -5.566 -0.935 4.927 128 HB2 MET 17 HB2 MET 17 -6.140 1.327 5.611 129 HB3 MET 17 HB3 MET 17 -6.610 0.783 7.213 130 HG2 MET 17 HG2 MET 17 -4.268 -0.055 7.564 131 HG3 MET 17 HG3 MET 17 -3.834 0.671 6.032 132 HE1 MET 17 HE1 MET 17 -6.065 2.080 9.191 133 HE2 MET 17 HE2 MET 17 -4.741 1.013 9.706 134 HE3 MET 17 HE3 MET 17 -4.687 2.749 10.068 135 H ASP 18 HN ASP 18 -7.391 -1.280 8.083 136 HA ASP 18 HA ASP 18 -5.395 -2.668 9.371 137 HB2 ASP 18 HB2 ASP 18 -8.329 -2.194 9.666 138 HB3 ASP 18 HB3 ASP 18 -7.669 -3.574 10.536 139 H SER 19 HN SER 19 -7.662 -3.868 6.981 140 HA SER 19 HA SER 19 -7.279 -6.706 7.660 141 HB2 SER 19 HB2 SER 19 -8.236 -5.573 5.005 142 HB3 SER 19 HB3 SER 19 -8.492 -7.198 5.659 143 HG SER 19 HG SER 19 -9.599 -5.927 7.462 144 H ILE 20 HN ILE 20 -6.180 -4.513 5.052 145 HA ILE 20 HA ILE 20 -4.335 -6.274 3.815 146 HB ILE 20 HB ILE 20 -4.250 -3.252 4.061 147 HG12 ILE 20 HG12 ILE 20 -5.328 -4.686 1.626 148 HG13 ILE 20 HG13 ILE 20 -6.402 -4.449 2.988 149 HG21 ILE 20 HG21 ILE 20 -2.978 -5.059 1.970 150 HG22 ILE 20 HG22 ILE 20 -2.980 -3.284 1.923 151 HG23 ILE 20 HG23 ILE 20 -2.123 -4.113 3.214 152 HD11 ILE 20 HD11 ILE 20 -6.583 -2.595 1.439 153 HD12 ILE 20 HD12 ILE 20 -5.981 -2.029 2.999 154 HD13 ILE 20 HD13 ILE 20 -4.867 -2.192 1.638 155 H LEU 21 HN LEU 21 -3.908 -3.895 6.464 156 HA LEU 21 HA LEU 21 -1.105 -4.259 6.782 157 HB2 LEU 21 HB2 LEU 21 -3.296 -3.439 8.703 158 HB3 LEU 21 HB3 LEU 21 -1.641 -3.611 9.265 159 HG LEU 21 HG LEU 21 -2.520 -1.700 7.068 160 HD11 LEU 21 HD11 LEU 21 -2.109 0.047 8.785 161 HD12 LEU 21 HD12 LEU 21 -1.719 -1.203 9.972 162 HD13 LEU 21 HD13 LEU 21 -3.361 -1.081 9.334 163 HD21 LEU 21 HD21 LEU 21 -0.186 -2.309 6.713 164 HD22 LEU 21 HD22 LEU 21 0.168 -2.103 8.448 165 HD23 LEU 21 HD23 LEU 21 -0.268 -0.705 7.448 166 H GLY 22 HN GLY 22 -3.525 -6.627 7.481 167 HA2 GLY 22 HA1 GLY 22 -1.862 -8.084 9.422 168 HA3 GLY 22 HA2 GLY 22 -3.385 -8.615 8.697 169 H ALA 23 HN ALA 23 -2.861 -8.386 5.961 170 HA ALA 23 HA ALA 23 -1.078 -10.795 5.724 171 HB1 ALA 23 HB1 ALA 23 -3.351 -11.414 5.479 172 HB2 ALA 23 HB2 ALA 23 -3.675 -10.004 4.430 173 HB3 ALA 23 HB3 ALA 23 -2.682 -11.346 3.840 174 H LEU 24 HN LEU 24 -0.817 -7.672 4.986 175 HA LEU 24 HA LEU 24 0.648 -8.251 2.471 176 HB2 LEU 24 HB2 LEU 24 -1.334 -6.548 2.588 177 HB3 LEU 24 HB3 LEU 24 -0.190 -5.514 3.431 178 HG LEU 24 HG LEU 24 1.345 -6.143 1.257 179 HD11 LEU 24 HD11 LEU 24 -0.463 -7.684 0.392 180 HD12 LEU 24 HD12 LEU 24 0.002 -6.406 -0.738 181 HD13 LEU 24 HD13 LEU 24 -1.500 -6.277 0.222 182 HD21 LEU 24 HD21 LEU 24 -0.897 -4.112 0.955 183 HD22 LEU 24 HD22 LEU 24 0.708 -4.099 0.213 184 HD23 LEU 24 HD23 LEU 24 0.533 -3.842 1.962 185 H ALA 25 HN ALA 25 1.521 -8.505 5.472 186 HA ALA 25 HA ALA 25 3.802 -6.573 5.461 187 HB1 ALA 25 HB1 ALA 25 1.829 -7.082 7.710 188 HB2 ALA 25 HB2 ALA 25 3.273 -6.053 7.772 189 HB3 ALA 25 HB3 ALA 25 1.926 -5.611 6.704 190 HA PRO 26 HA PRO 26 5.083 -10.834 6.975 191 HB2 PRO 26 HB2 PRO 26 6.620 -11.714 4.875 192 HB3 PRO 26 HB3 PRO 26 4.879 -12.042 5.034 193 HG2 PRO 26 HG2 PRO 26 6.186 -9.935 3.348 194 HG3 PRO 26 HG3 PRO 26 4.850 -11.040 2.926 195 HD2 PRO 26 HD2 PRO 26 4.451 -8.427 3.756 196 HD3 PRO 26 HD3 PRO 26 3.299 -9.754 4.087 197 H TYR 27 HN TYR 27 6.983 -8.675 4.768 198 HA TYR 27 HA TYR 27 9.415 -9.211 6.204 199 HB2 TYR 27 HB2 TYR 27 8.807 -7.184 4.023 200 HB3 TYR 27 HB3 TYR 27 10.408 -7.470 4.704 201 HD1 TYR 27 HD1 TYR 27 11.497 -9.739 4.495 202 HD2 TYR 27 HD2 TYR 27 7.830 -8.764 2.448 203 HE1 TYR 27 HE1 TYR 27 11.671 -11.835 3.211 204 HE2 TYR 27 HE2 TYR 27 7.970 -10.869 1.183 205 HH TYR 27 HH TYR 27 10.735 -13.064 1.285 206 H ALA 28 HN ALA 28 7.423 -6.235 5.879 207 HA ALA 28 HA ALA 28 8.374 -5.288 8.526 208 HB1 ALA 28 HB1 ALA 28 9.607 -3.938 6.903 209 HB2 ALA 28 HB2 ALA 28 8.132 -3.733 5.927 210 HB3 ALA 28 HB3 ALA 28 8.237 -2.965 7.514 211 H VAL 29 HN VAL 29 6.824 -4.014 9.598 212 HA VAL 29 HA VAL 29 4.049 -4.170 8.550 213 HB VAL 29 HB VAL 29 4.888 -4.284 11.467 214 HG11 VAL 29 HG11 VAL 29 2.312 -5.127 10.054 215 HG12 VAL 29 HG12 VAL 29 2.630 -5.205 11.799 216 HG13 VAL 29 HG13 VAL 29 2.533 -3.639 10.997 217 HG21 VAL 29 HG21 VAL 29 4.481 -6.714 11.451 218 HG22 VAL 29 HG22 VAL 29 4.347 -6.687 9.684 219 HG23 VAL 29 HG23 VAL 29 5.882 -6.273 10.479 220 H LEU 30 HN LEU 30 3.468 -2.147 8.021 221 HA LEU 30 HA LEU 30 4.577 0.271 9.112 222 HB2 LEU 30 HB2 LEU 30 1.823 -0.139 7.878 223 HB3 LEU 30 HB3 LEU 30 2.580 1.391 8.199 224 HG LEU 30 HG LEU 30 2.851 1.216 5.976 225 HD11 LEU 30 HD11 LEU 30 5.204 0.934 5.469 226 HD12 LEU 30 HD12 LEU 30 5.460 -0.004 6.944 227 HD13 LEU 30 HD13 LEU 30 5.011 1.718 7.059 228 HD21 LEU 30 HD21 LEU 30 3.789 -1.658 6.028 229 HD22 LEU 30 HD22 LEU 30 3.331 -0.654 4.641 230 HD23 LEU 30 HD23 LEU 30 2.097 -1.171 5.783 231 H SER 31 HN SER 31 3.086 1.978 10.262 232 HA SER 31 HA SER 31 1.696 0.720 12.571 233 HB2 SER 31 HB2 SER 31 2.627 3.522 11.912 234 HB3 SER 31 HB3 SER 31 1.428 3.202 13.185 235 HG SER 31 HG SER 31 2.861 2.021 14.296 236 H SER 32 HN SER 32 0.674 3.675 10.773 237 HA SER 32 HA SER 32 -1.723 2.402 9.700 238 HB2 SER 32 HB2 SER 32 -3.198 3.701 11.374 239 HB3 SER 32 HB3 SER 32 -2.436 2.202 11.920 240 HG SER 32 HG SER 32 -1.884 4.864 12.613 241 H SER 33 HN SER 33 -0.369 5.546 10.955 242 HA SER 33 HA SER 33 -1.866 7.119 9.094 243 HB2 SER 33 HB2 SER 33 -0.729 8.964 9.886 244 HB3 SER 33 HB3 SER 33 -0.652 7.870 11.270 245 HG SER 33 HG SER 33 1.333 8.838 9.591 246 H ASN 34 HN ASN 34 1.098 5.286 8.876 247 HA ASN 34 HA ASN 34 2.289 6.196 6.544 248 HB2 ASN 34 HB2 ASN 34 1.748 3.261 7.159 249 HB3 ASN 34 HB3 ASN 34 3.071 3.900 6.198 250 HD21 ASN 34 HD21 ASN 34 4.939 4.768 7.293 251 HD22 ASN 34 HD22 ASN 34 5.058 4.615 9.048 252 H VAL 35 HN VAL 35 -0.634 4.095 6.888 253 HA VAL 35 HA VAL 35 -0.545 3.632 3.988 254 HB VAL 35 HB VAL 35 -1.930 2.025 6.132 255 HG11 VAL 35 HG11 VAL 35 -1.352 1.486 3.165 256 HG12 VAL 35 HG12 VAL 35 -2.113 0.341 4.296 257 HG13 VAL 35 HG13 VAL 35 -2.951 1.833 3.844 258 HG21 VAL 35 HG21 VAL 35 0.789 1.804 4.828 259 HG22 VAL 35 HG22 VAL 35 0.331 1.678 6.545 260 HG23 VAL 35 HG23 VAL 35 -0.057 0.371 5.433 261 H ARG 36 HN ARG 36 -1.378 5.422 3.288 262 HA ARG 36 HA ARG 36 -4.022 6.461 3.963 263 HB2 ARG 36 HB2 ARG 36 -1.705 7.212 2.248 264 HB3 ARG 36 HB3 ARG 36 -3.253 7.629 1.534 265 HG2 ARG 36 HG2 ARG 36 -2.521 8.386 4.391 266 HG3 ARG 36 HG3 ARG 36 -2.126 9.376 2.978 267 HD2 ARG 36 HD2 ARG 36 -4.703 9.091 2.415 268 HD3 ARG 36 HD3 ARG 36 -4.846 8.757 4.140 269 HE ARG 36 HE ARG 36 -3.922 11.255 2.805 270 HH11 ARG 36 HH11 ARG 36 -4.706 9.688 5.951 271 HH12 ARG 36 HH12 ARG 36 -4.843 11.227 6.737 272 HH21 ARG 36 HH21 ARG 36 -3.918 13.134 3.923 273 HH22 ARG 36 HH22 ARG 36 -4.331 13.230 5.608 274 H VAL 37 HN VAL 37 -5.516 4.837 3.623 275 HA VAL 37 HA VAL 37 -5.980 4.006 0.796 276 HB VAL 37 HB VAL 37 -7.443 3.047 3.304 277 HG11 VAL 37 HG11 VAL 37 -8.383 1.320 1.828 278 HG12 VAL 37 HG12 VAL 37 -8.777 2.920 1.202 279 HG13 VAL 37 HG13 VAL 37 -7.488 1.973 0.433 280 HG21 VAL 37 HG21 VAL 37 -5.183 2.156 3.419 281 HG22 VAL 37 HG22 VAL 37 -6.318 0.880 3.014 282 HG23 VAL 37 HG23 VAL 37 -5.285 1.569 1.742 283 H ILE 38 HN ILE 38 -6.919 5.882 -0.117 284 HA ILE 38 HA ILE 38 -8.680 7.596 1.451 285 HB ILE 38 HB ILE 38 -8.498 7.325 -1.559 286 HG12 ILE 38 HG12 ILE 38 -6.874 9.350 0.042 287 HG13 ILE 38 HG13 ILE 38 -6.190 7.873 -0.622 288 HG21 ILE 38 HG21 ILE 38 -9.390 9.631 -1.549 289 HG22 ILE 38 HG22 ILE 38 -10.426 8.596 -0.597 290 HG23 ILE 38 HG23 ILE 38 -9.284 9.679 0.223 291 HD11 ILE 38 HD11 ILE 38 -7.103 8.611 -2.925 292 HD12 ILE 38 HD12 ILE 38 -7.365 10.196 -2.183 293 HD13 ILE 38 HD13 ILE 38 -5.730 9.535 -2.251 294 H LYS 39 HN LYS 39 -10.995 7.479 1.411 295 HA LYS 39 HA LYS 39 -12.224 5.232 -0.039 296 HB2 LYS 39 HB2 LYS 39 -13.412 5.710 2.653 297 HB3 LYS 39 HB3 LYS 39 -13.216 4.261 1.724 298 HG2 LYS 39 HG2 LYS 39 -12.005 3.725 3.490 299 HG3 LYS 39 HG3 LYS 39 -10.740 4.233 2.382 300 HD2 LYS 39 HD2 LYS 39 -10.603 6.414 3.581 301 HD3 LYS 39 HD3 LYS 39 -11.945 5.946 4.620 302 HE2 LYS 39 HE2 LYS 39 -9.234 4.540 4.472 303 HE3 LYS 39 HE3 LYS 39 -9.713 5.715 5.703 304 HZ1 LYS 39 HZ1 LYS 39 -10.886 3.050 5.269 305 HZ2 LYS 39 HZ2 LYS 39 -11.486 4.159 6.350 306 HZ3 LYS 39 HZ3 LYS 39 -9.980 3.516 6.544 307 H ASP 40 HN ASP 40 -14.450 5.501 -0.609 308 HA ASP 40 HA ASP 40 -15.231 8.134 -1.352 309 HB2 ASP 40 HB2 ASP 40 -15.805 5.657 -2.213 310 HB3 ASP 40 HB3 ASP 40 -17.117 5.789 -1.020 311 H LYS 41 HN LYS 41 -17.746 8.697 -0.663 312 HA LYS 41 HA LYS 41 -18.181 8.171 2.264 313 HB2 LYS 41 HB2 LYS 41 -19.189 10.721 0.985 314 HB3 LYS 41 HB3 LYS 41 -19.105 10.281 2.691 315 HG2 LYS 41 HG2 LYS 41 -16.497 10.192 2.245 316 HG3 LYS 41 HG3 LYS 41 -16.908 11.161 0.823 317 HD2 LYS 41 HD2 LYS 41 -17.354 11.872 3.746 318 HD3 LYS 41 HD3 LYS 41 -16.172 12.571 2.643 319 HE2 LYS 41 HE2 LYS 41 -18.088 13.400 1.206 320 HE3 LYS 41 HE3 LYS 41 -19.198 12.835 2.468 321 HZ1 LYS 41 HZ1 LYS 41 -18.774 15.108 2.831 322 HZ2 LYS 41 HZ2 LYS 41 -17.140 14.949 2.765 323 HZ3 LYS 41 HZ3 LYS 41 -17.990 14.320 4.019 324 H GLN 42 HN GLN 42 -19.475 8.271 -0.979 325 HA GLN 42 HA GLN 42 -22.245 8.067 -0.006 326 HB2 GLN 42 HB2 GLN 42 -21.184 7.947 -2.754 327 HB3 GLN 42 HB3 GLN 42 -22.888 7.956 -2.327 328 HG2 GLN 42 HG2 GLN 42 -20.894 10.217 -1.881 329 HG3 GLN 42 HG3 GLN 42 -22.130 10.157 -3.140 330 HE21 GLN 42 HE21 GLN 42 -24.494 10.017 -2.328 331 HE22 GLN 42 HE22 GLN 42 -24.846 10.850 -0.828 332 H THR 43 HN THR 43 -19.767 6.210 -1.872 333 HA THR 43 HA THR 43 -21.561 3.902 -1.846 334 HB THR 43 HB THR 43 -19.840 2.899 -3.290 335 HG1 THR 43 HG1 THR 43 -18.434 5.205 -3.670 336 HG21 THR 43 HG21 THR 43 -20.133 4.444 -5.158 337 HG22 THR 43 HG22 THR 43 -20.594 5.758 -4.074 338 HG23 THR 43 HG23 THR 43 -21.629 4.324 -4.233 339 H GLN 44 HN GLN 44 -19.156 5.098 0.231 340 HA GLN 44 HA GLN 44 -17.939 4.265 1.955 341 HB2 GLN 44 HB2 GLN 44 -20.234 2.283 2.072 342 HB3 GLN 44 HB3 GLN 44 -18.991 2.414 3.306 343 HG2 GLN 44 HG2 GLN 44 -20.804 4.727 2.497 344 HG3 GLN 44 HG3 GLN 44 -21.136 3.619 3.825 345 HE21 GLN 44 HE21 GLN 44 -20.072 6.696 3.392 346 HE22 GLN 44 HE22 GLN 44 -18.992 6.776 4.770 347 H LEU 45 HN LEU 45 -16.953 3.647 -0.526 348 HA LEU 45 HA LEU 45 -15.733 0.949 -0.153 349 HB2 LEU 45 HB2 LEU 45 -15.938 2.467 -2.771 350 HB3 LEU 45 HB3 LEU 45 -15.398 0.808 -2.523 351 HG LEU 45 HG LEU 45 -18.231 1.857 -2.199 352 HD11 LEU 45 HD11 LEU 45 -17.003 0.077 -4.312 353 HD12 LEU 45 HD12 LEU 45 -17.454 1.792 -4.492 354 HD13 LEU 45 HD13 LEU 45 -18.711 0.561 -4.197 355 HD21 LEU 45 HD21 LEU 45 -18.894 -0.529 -2.008 356 HD22 LEU 45 HD22 LEU 45 -17.948 0.033 -0.632 357 HD23 LEU 45 HD23 LEU 45 -17.179 -0.964 -1.847 358 H ASN 46 HN ASN 46 -13.532 1.038 -1.311 359 HA ASN 46 HA ASN 46 -11.924 3.283 -0.300 360 HB2 ASN 46 HB2 ASN 46 -10.918 0.905 -1.898 361 HB3 ASN 46 HB3 ASN 46 -9.978 2.028 -0.918 362 HD21 ASN 46 HD21 ASN 46 -11.013 -1.121 -0.809 363 HD22 ASN 46 HD22 ASN 46 -11.440 -1.084 0.876 364 H ARG 47 HN ARG 47 -10.157 4.085 -1.955 365 HA ARG 47 HA ARG 47 -11.309 4.514 -4.649 366 HB2 ARG 47 HB2 ARG 47 -8.841 5.652 -3.297 367 HB3 ARG 47 HB3 ARG 47 -9.229 5.957 -4.979 368 HG2 ARG 47 HG2 ARG 47 -11.344 6.526 -2.866 369 HG3 ARG 47 HG3 ARG 47 -10.026 7.650 -3.122 370 HD2 ARG 47 HD2 ARG 47 -12.098 8.247 -4.312 371 HD3 ARG 47 HD3 ARG 47 -10.627 8.180 -5.291 372 HE ARG 47 HE ARG 47 -13.007 6.384 -5.387 373 HH11 ARG 47 HH11 ARG 47 -10.002 7.431 -6.986 374 HH12 ARG 47 HH12 ARG 47 -10.118 6.232 -8.244 375 HH21 ARG 47 HH21 ARG 47 -13.085 4.773 -7.056 376 HH22 ARG 47 HH22 ARG 47 -12.110 5.046 -8.478 377 H GLY 48 HN GLY 48 -9.408 2.102 -3.218 378 HA2 GLY 48 HA1 GLY 48 -8.930 0.167 -4.369 379 HA3 GLY 48 HA2 GLY 48 -9.075 1.012 -5.888 380 H PHE 49 HN PHE 49 -7.038 3.091 -4.884 381 HA PHE 49 HA PHE 49 -4.544 1.449 -4.839 382 HB2 PHE 49 HB2 PHE 49 -3.404 3.591 -5.503 383 HB3 PHE 49 HB3 PHE 49 -4.429 2.879 -6.733 384 HD1 PHE 49 HD1 PHE 49 -6.457 3.968 -7.496 385 HD2 PHE 49 HD2 PHE 49 -4.085 5.700 -4.342 386 HE1 PHE 49 HE1 PHE 49 -7.664 6.120 -7.769 387 HE2 PHE 49 HE2 PHE 49 -5.310 7.866 -4.629 388 HZ PHE 49 HZ PHE 49 -7.087 8.068 -6.327 389 H ALA 50 HN ALA 50 -2.824 2.672 -3.413 390 HA ALA 50 HA ALA 50 -3.864 4.362 -1.329 391 HB1 ALA 50 HB1 ALA 50 -4.495 2.258 -0.287 392 HB2 ALA 50 HB2 ALA 50 -2.883 1.560 -0.588 393 HB3 ALA 50 HB3 ALA 50 -3.078 2.875 0.566 394 H PHE 51 HN PHE 51 -1.919 4.723 0.302 395 HA PHE 51 HA PHE 51 0.656 4.869 -1.183 396 HB2 PHE 51 HB2 PHE 51 -0.748 7.076 0.385 397 HB3 PHE 51 HB3 PHE 51 0.814 7.215 -0.356 398 HD1 PHE 51 HD1 PHE 51 -2.786 7.436 -0.801 399 HD2 PHE 51 HD2 PHE 51 0.956 7.096 -2.896 400 HE1 PHE 51 HE1 PHE 51 -3.898 8.147 -2.884 401 HE2 PHE 51 HE2 PHE 51 -0.177 7.745 -5.020 402 HZ PHE 51 HZ PHE 51 -2.619 8.278 -5.006 403 H ILE 52 HN ILE 52 2.382 4.562 0.141 404 HA ILE 52 HA ILE 52 2.011 4.171 3.058 405 HB ILE 52 HB ILE 52 3.837 2.748 1.163 406 HG12 ILE 52 HG12 ILE 52 1.654 1.419 2.754 407 HG13 ILE 52 HG13 ILE 52 1.315 2.076 1.153 408 HG21 ILE 52 HG21 ILE 52 3.500 2.454 4.166 409 HG22 ILE 52 HG22 ILE 52 4.436 1.335 3.152 410 HG23 ILE 52 HG23 ILE 52 4.947 3.001 3.286 411 HD11 ILE 52 HD11 ILE 52 2.981 0.643 0.123 412 HD12 ILE 52 HD12 ILE 52 3.435 -0.016 1.712 413 HD13 ILE 52 HD13 ILE 52 1.819 -0.314 1.064 414 H GLN 53 HN GLN 53 2.890 5.841 4.066 415 HA GLN 53 HA GLN 53 5.092 7.410 2.817 416 HB2 GLN 53 HB2 GLN 53 3.212 7.987 5.162 417 HB3 GLN 53 HB3 GLN 53 4.637 8.942 4.768 418 HG2 GLN 53 HG2 GLN 53 3.051 10.187 3.709 419 HG3 GLN 53 HG3 GLN 53 3.577 9.164 2.371 420 HE21 GLN 53 HE21 GLN 53 2.150 7.164 2.017 421 HE22 GLN 53 HE22 GLN 53 0.483 7.181 2.505 422 H LEU 54 HN LEU 54 7.131 7.096 3.502 423 HA LEU 54 HA LEU 54 7.732 5.921 6.131 424 HB2 LEU 54 HB2 LEU 54 8.321 4.750 3.410 425 HB3 LEU 54 HB3 LEU 54 9.441 4.457 4.734 426 HG LEU 54 HG LEU 54 6.482 3.748 4.861 427 HD11 LEU 54 HD11 LEU 54 7.601 2.513 3.033 428 HD12 LEU 54 HD12 LEU 54 7.182 1.455 4.379 429 HD13 LEU 54 HD13 LEU 54 8.867 1.978 4.169 430 HD21 LEU 54 HD21 LEU 54 7.566 3.941 7.083 431 HD22 LEU 54 HD22 LEU 54 8.881 2.882 6.514 432 HD23 LEU 54 HD23 LEU 54 7.248 2.247 6.698 433 H SER 55 HN SER 55 10.171 5.999 6.439 434 HA SER 55 HA SER 55 11.068 8.674 6.054 435 HB2 SER 55 HB2 SER 55 11.587 6.962 7.923 436 HB3 SER 55 HB3 SER 55 12.777 6.275 6.791 437 HG SER 55 HG SER 55 12.954 8.405 8.400 438 H THR 56 HN THR 56 13.205 9.201 5.113 439 HA THR 56 HA THR 56 13.139 9.240 2.452 440 HB THR 56 HB THR 56 15.795 9.365 3.928 441 HG1 THR 56 HG1 THR 56 14.694 10.525 5.305 442 HG21 THR 56 HG21 THR 56 14.578 11.165 1.797 443 HG22 THR 56 HG22 THR 56 15.820 9.902 1.519 444 HG23 THR 56 HG23 THR 56 16.203 11.309 2.499 445 H ILE 57 HN ILE 57 14.751 6.729 4.289 446 HA ILE 57 HA ILE 57 15.751 5.436 1.794 447 HB ILE 57 HB ILE 57 16.811 5.326 4.626 448 HG12 ILE 57 HG12 ILE 57 17.917 6.693 2.138 449 HG13 ILE 57 HG13 ILE 57 17.195 7.509 3.515 450 HG21 ILE 57 HG21 ILE 57 17.862 3.990 2.108 451 HG22 ILE 57 HG22 ILE 57 18.724 4.072 3.665 452 HG23 ILE 57 HG23 ILE 57 17.210 3.215 3.580 453 HD11 ILE 57 HD11 ILE 57 19.457 7.744 3.834 454 HD12 ILE 57 HD12 ILE 57 18.965 6.490 4.987 455 HD13 ILE 57 HD13 ILE 57 19.819 6.043 3.481 456 H GLU 58 HN GLU 58 13.760 5.063 4.628 457 HA GLU 58 HA GLU 58 13.690 2.240 4.783 458 HB2 GLU 58 HB2 GLU 58 11.759 4.431 5.606 459 HB3 GLU 58 HB3 GLU 58 11.495 2.733 6.019 460 HG2 GLU 58 HG2 GLU 58 14.140 4.109 6.689 461 HG3 GLU 58 HG3 GLU 58 12.712 4.277 7.690 462 H ALA 59 HN ALA 59 11.570 4.530 3.108 463 HA ALA 59 HA ALA 59 9.710 2.675 2.006 464 HB1 ALA 59 HB1 ALA 59 9.125 4.380 0.428 465 HB2 ALA 59 HB2 ALA 59 9.678 5.290 1.858 466 HB3 ALA 59 HB3 ALA 59 10.742 5.071 0.472 467 H ALA 60 HN ALA 60 12.646 3.997 0.475 468 HA ALA 60 HA ALA 60 12.839 2.356 -1.726 469 HB1 ALA 60 HB1 ALA 60 15.327 2.944 -1.527 470 HB2 ALA 60 HB2 ALA 60 14.229 4.330 -1.441 471 HB3 ALA 60 HB3 ALA 60 14.976 3.677 0.027 472 H GLN 61 HN GLN 61 14.220 1.665 1.538 473 HA GLN 61 HA GLN 61 15.545 -0.761 0.786 474 HB2 GLN 61 HB2 GLN 61 14.516 0.275 3.468 475 HB3 GLN 61 HB3 GLN 61 15.300 -1.307 3.287 476 HG2 GLN 61 HG2 GLN 61 17.248 -0.209 2.220 477 HG3 GLN 61 HG3 GLN 61 16.543 1.362 2.524 478 HE21 GLN 61 HE21 GLN 61 15.628 0.997 5.364 479 HE22 GLN 61 HE22 GLN 61 17.094 0.802 6.241 480 H LEU 62 HN LEU 62 12.402 -0.287 2.443 481 HA LEU 62 HA LEU 62 11.640 -2.951 2.602 482 HB2 LEU 62 HB2 LEU 62 10.690 -0.898 3.694 483 HB3 LEU 62 HB3 LEU 62 9.795 -0.559 2.211 484 HG LEU 62 HG LEU 62 9.578 -3.091 3.879 485 HD11 LEU 62 HD11 LEU 62 8.879 -1.084 5.148 486 HD12 LEU 62 HD12 LEU 62 7.444 -2.029 4.721 487 HD13 LEU 62 HD13 LEU 62 7.844 -0.588 3.789 488 HD21 LEU 62 HD21 LEU 62 7.334 -3.357 2.766 489 HD22 LEU 62 HD22 LEU 62 8.714 -3.656 1.752 490 HD23 LEU 62 HD23 LEU 62 7.844 -2.107 1.599 491 H LEU 63 HN LEU 63 10.931 -0.589 -0.003 492 HA LEU 63 HA LEU 63 9.383 -2.393 -1.577 493 HB2 LEU 63 HB2 LEU 63 9.521 0.125 -1.844 494 HB3 LEU 63 HB3 LEU 63 11.183 -0.030 -2.362 495 HG LEU 63 HG LEU 63 9.740 -1.743 -4.132 496 HD11 LEU 63 HD11 LEU 63 8.255 0.876 -3.767 497 HD12 LEU 63 HD12 LEU 63 7.671 -0.741 -3.300 498 HD13 LEU 63 HD13 LEU 63 7.956 -0.367 -5.004 499 HD21 LEU 63 HD21 LEU 63 10.857 1.064 -4.423 500 HD22 LEU 63 HD22 LEU 63 10.310 0.070 -5.790 501 HD23 LEU 63 HD23 LEU 63 11.666 -0.471 -4.793 502 H GLN 64 HN GLN 64 12.981 -1.722 -1.674 503 HA GLN 64 HA GLN 64 13.391 -3.309 -4.023 504 HB2 GLN 64 HB2 GLN 64 15.226 -2.581 -1.708 505 HB3 GLN 64 HB3 GLN 64 15.783 -3.600 -3.011 506 HG2 GLN 64 HG2 GLN 64 15.625 -1.932 -4.507 507 HG3 GLN 64 HG3 GLN 64 14.600 -0.864 -3.545 508 HE21 GLN 64 HE21 GLN 64 15.658 -0.328 -1.367 509 HE22 GLN 64 HE22 GLN 64 17.338 0.192 -1.362 510 H ILE 65 HN ILE 65 13.186 -4.195 -0.554 511 HA ILE 65 HA ILE 65 13.961 -6.876 -0.776 512 HB ILE 65 HB ILE 65 11.830 -5.736 1.047 513 HG12 ILE 65 HG12 ILE 65 14.727 -6.288 1.752 514 HG13 ILE 65 HG13 ILE 65 14.179 -4.717 1.213 515 HG21 ILE 65 HG21 ILE 65 13.324 -8.359 1.291 516 HG22 ILE 65 HG22 ILE 65 12.291 -7.652 2.543 517 HG23 ILE 65 HG23 ILE 65 11.582 -8.119 1.018 518 HD11 ILE 65 HD11 ILE 65 12.457 -4.846 3.160 519 HD12 ILE 65 HD12 ILE 65 13.484 -6.153 3.776 520 HD13 ILE 65 HD13 ILE 65 14.163 -4.533 3.536 521 H LEU 66 HN LEU 66 10.723 -5.480 -1.096 522 HA LEU 66 HA LEU 66 9.329 -7.831 -1.916 523 HB2 LEU 66 HB2 LEU 66 8.888 -4.823 -2.228 524 HB3 LEU 66 HB3 LEU 66 7.745 -5.951 -2.893 525 HG LEU 66 HG LEU 66 6.890 -6.562 -0.941 526 HD11 LEU 66 HD11 LEU 66 7.781 -6.365 1.332 527 HD12 LEU 66 HD12 LEU 66 9.291 -5.707 0.690 528 HD13 LEU 66 HD13 LEU 66 8.827 -7.375 0.326 529 HD21 LEU 66 HD21 LEU 66 6.407 -4.261 -1.353 530 HD22 LEU 66 HD22 LEU 66 7.829 -3.755 -0.409 531 HD23 LEU 66 HD23 LEU 66 6.465 -4.567 0.395 532 H GLN 67 HN GLN 67 11.538 -5.950 -3.825 533 HA GLN 67 HA GLN 67 10.190 -6.877 -6.332 534 HB2 GLN 67 HB2 GLN 67 12.349 -4.799 -5.810 535 HB3 GLN 67 HB3 GLN 67 11.794 -5.293 -7.410 536 HG2 GLN 67 HG2 GLN 67 9.437 -4.690 -6.703 537 HG3 GLN 67 HG3 GLN 67 10.112 -3.948 -5.269 538 HE21 GLN 67 HE21 GLN 67 8.651 -2.241 -6.761 539 HE22 GLN 67 HE22 GLN 67 9.605 -1.286 -7.821 540 H ALA 68 HN ALA 68 12.097 -8.301 -4.226 541 HA ALA 68 HA ALA 68 13.843 -9.541 -6.302 542 HB1 ALA 68 HB1 ALA 68 15.489 -9.733 -4.531 543 HB2 ALA 68 HB2 ALA 68 14.933 -8.053 -4.668 544 HB3 ALA 68 HB3 ALA 68 14.343 -9.076 -3.345 545 H LEU 69 HN LEU 69 11.059 -10.390 -4.848 546 HA LEU 69 HA LEU 69 11.851 -13.182 -4.320 547 HB2 LEU 69 HB2 LEU 69 10.973 -13.033 -1.993 548 HB3 LEU 69 HB3 LEU 69 12.414 -12.106 -2.309 549 HG LEU 69 HG LEU 69 10.793 -10.055 -2.579 550 HD11 LEU 69 HD11 LEU 69 8.682 -11.115 -2.584 551 HD12 LEU 69 HD12 LEU 69 8.813 -10.239 -1.074 552 HD13 LEU 69 HD13 LEU 69 9.022 -12.012 -1.083 553 HD21 LEU 69 HD21 LEU 69 11.534 -11.445 0.008 554 HD22 LEU 69 HD22 LEU 69 10.867 -9.798 -0.068 555 HD23 LEU 69 HD23 LEU 69 12.417 -10.194 -0.837 556 H HIS 70 HN HIS 70 9.657 -14.124 -3.135 557 HA HIS 70 HA HIS 70 7.897 -14.730 -5.127 558 HB2 HIS 70 HB2 HIS 70 7.728 -14.712 -2.122 559 HB3 HIS 70 HB3 HIS 70 6.232 -14.977 -2.991 560 HD1 HIS 70 HD1 HIS 70 6.088 -17.520 -2.107 561 HD2 HIS 70 HD2 HIS 70 9.441 -16.513 -4.464 562 HE1 HIS 70 HE1 HIS 70 7.083 -19.700 -2.906 563 HA PRO 71 HA PRO 71 5.228 -11.402 -6.007 564 HB2 PRO 71 HB2 PRO 71 2.797 -12.604 -6.521 565 HB3 PRO 71 HB3 PRO 71 4.189 -12.710 -7.633 566 HG2 PRO 71 HG2 PRO 71 3.347 -14.693 -5.501 567 HG3 PRO 71 HG3 PRO 71 3.748 -15.022 -7.220 568 HD2 PRO 71 HD2 PRO 71 5.590 -15.393 -5.290 569 HD3 PRO 71 HD3 PRO 71 6.076 -14.608 -6.826 570 HA PRO 72 HA PRO 72 3.010 -10.288 -2.364 571 HB2 PRO 72 HB2 PRO 72 1.078 -8.526 -3.226 572 HB3 PRO 72 HB3 PRO 72 2.836 -8.143 -3.196 573 HG2 PRO 72 HG2 PRO 72 1.156 -9.123 -5.511 574 HG3 PRO 72 HG3 PRO 72 2.333 -7.762 -5.491 575 HD2 PRO 72 HD2 PRO 72 2.958 -10.246 -6.437 576 HD3 PRO 72 HD3 PRO 72 4.148 -9.245 -5.571 577 H LEU 73 HN LEU 73 0.863 -10.208 -1.366 578 HA LEU 73 HA LEU 73 -0.478 -12.743 -1.838 579 HB2 LEU 73 HB2 LEU 73 0.602 -11.313 0.326 580 HB3 LEU 73 HB3 LEU 73 -1.099 -11.067 0.552 581 HG LEU 73 HG LEU 73 -0.106 -13.879 0.035 582 HD11 LEU 73 HD11 LEU 73 0.576 -14.144 2.375 583 HD12 LEU 73 HD12 LEU 73 0.316 -12.408 2.651 584 HD13 LEU 73 HD13 LEU 73 1.602 -12.970 1.546 585 HD21 LEU 73 HD21 LEU 73 -2.482 -13.589 0.454 586 HD22 LEU 73 HD22 LEU 73 -2.149 -12.631 1.922 587 HD23 LEU 73 HD23 LEU 73 -1.766 -14.371 1.853 588 H THR 74 HN THR 74 -2.862 -12.590 -0.916 589 HA THR 74 HA THR 74 -4.255 -10.156 -1.800 590 HB THR 74 HB THR 74 -4.812 -11.372 -3.664 591 HG1 THR 74 HG1 THR 74 -6.730 -12.758 -2.321 592 HG21 THR 74 HG21 THR 74 -5.376 -13.681 -3.798 593 HG22 THR 74 HG22 THR 74 -4.915 -13.958 -2.086 594 HG23 THR 74 HG23 THR 74 -3.698 -13.464 -3.306 595 H ILE 75 HN ILE 75 -6.093 -9.768 -0.635 596 HA ILE 75 HA ILE 75 -6.568 -11.343 1.830 597 HB ILE 75 HB ILE 75 -6.631 -8.341 1.900 598 HG12 ILE 75 HG12 ILE 75 -4.329 -8.518 3.057 599 HG13 ILE 75 HG13 ILE 75 -4.083 -9.944 2.054 600 HG21 ILE 75 HG21 ILE 75 -7.592 -9.685 3.778 601 HG22 ILE 75 HG22 ILE 75 -6.033 -10.481 3.991 602 HG23 ILE 75 HG23 ILE 75 -6.203 -8.743 4.311 603 HD11 ILE 75 HD11 ILE 75 -4.312 -8.432 0.048 604 HD12 ILE 75 HD12 ILE 75 -4.648 -7.069 1.158 605 HD13 ILE 75 HD13 ILE 75 -3.073 -7.879 1.196 606 H ASP 76 HN ASP 76 -8.001 -11.313 -0.723 607 HA ASP 76 HA ASP 76 -10.644 -11.129 0.092 608 HB2 ASP 76 HB2 ASP 76 -10.020 -8.553 -0.171 609 HB3 ASP 76 HB3 ASP 76 -10.531 -8.890 -1.824 610 H GLY 77 HN GLY 77 -8.396 -11.442 -2.397 611 HA2 GLY 77 HA1 GLY 77 -8.700 -13.334 -3.899 612 HA3 GLY 77 HA2 GLY 77 -10.291 -12.701 -4.288 613 H LYS 78 HN LYS 78 -8.021 -10.293 -3.701 614 HA LYS 78 HA LYS 78 -7.472 -9.724 -6.578 615 HB2 LYS 78 HB2 LYS 78 -7.369 -7.315 -5.641 616 HB3 LYS 78 HB3 LYS 78 -8.895 -8.067 -6.030 617 HG2 LYS 78 HG2 LYS 78 -9.127 -6.813 -4.029 618 HG3 LYS 78 HG3 LYS 78 -9.384 -8.496 -3.686 619 HD2 LYS 78 HD2 LYS 78 -7.319 -8.645 -2.461 620 HD3 LYS 78 HD3 LYS 78 -6.772 -7.071 -3.105 621 HE2 LYS 78 HE2 LYS 78 -8.433 -5.883 -1.854 622 HE3 LYS 78 HE3 LYS 78 -9.284 -7.351 -1.445 623 HZ1 LYS 78 HZ1 LYS 78 -7.204 -7.889 -0.085 624 HZ2 LYS 78 HZ2 LYS 78 -8.185 -6.695 0.445 625 HZ3 LYS 78 HZ3 LYS 78 -6.842 -6.262 -0.309 626 H THR 79 HN THR 79 -5.303 -10.139 -7.044 627 HA THR 79 HA THR 79 -3.408 -10.225 -4.881 628 HB THR 79 HB THR 79 -2.655 -10.022 -7.762 629 HG1 THR 79 HG1 THR 79 -3.437 -11.796 -8.291 630 HG21 THR 79 HG21 THR 79 -0.865 -10.156 -6.037 631 HG22 THR 79 HG22 THR 79 -0.862 -11.559 -7.104 632 HG23 THR 79 HG23 THR 79 -1.545 -11.689 -5.466 633 H ILE 80 HN ILE 80 -2.280 -8.484 -4.022 634 HA ILE 80 HA ILE 80 -2.896 -5.872 -5.060 635 HB ILE 80 HB ILE 80 -0.923 -6.765 -2.935 636 HG12 ILE 80 HG12 ILE 80 -3.057 -7.501 -2.213 637 HG13 ILE 80 HG13 ILE 80 -2.815 -5.975 -1.390 638 HG21 ILE 80 HG21 ILE 80 -1.172 -4.485 -1.964 639 HG22 ILE 80 HG22 ILE 80 -0.321 -4.502 -3.495 640 HG23 ILE 80 HG23 ILE 80 -2.019 -3.966 -3.431 641 HD11 ILE 80 HD11 ILE 80 -4.656 -6.514 -3.714 642 HD12 ILE 80 HD12 ILE 80 -5.040 -5.905 -2.091 643 HD13 ILE 80 HD13 ILE 80 -4.185 -4.877 -3.263 644 H ASN 81 HN ASN 81 -1.244 -4.198 -5.623 645 HA ASN 81 HA ASN 81 1.066 -5.243 -7.179 646 HB2 ASN 81 HB2 ASN 81 -1.155 -3.426 -8.120 647 HB3 ASN 81 HB3 ASN 81 0.480 -2.874 -8.412 648 HD21 ASN 81 HD21 ASN 81 -0.557 -6.316 -8.479 649 HD22 ASN 81 HD22 ASN 81 -0.100 -6.432 -10.189 650 H VAL 82 HN VAL 82 2.819 -3.820 -7.135 651 HA VAL 82 HA VAL 82 2.800 -1.826 -4.920 652 HB VAL 82 HB VAL 82 5.275 -3.337 -5.847 653 HG11 VAL 82 HG11 VAL 82 6.062 -2.800 -3.592 654 HG12 VAL 82 HG12 VAL 82 5.523 -1.329 -4.417 655 HG13 VAL 82 HG13 VAL 82 4.484 -2.079 -3.179 656 HG21 VAL 82 HG21 VAL 82 3.316 -4.298 -3.695 657 HG22 VAL 82 HG22 VAL 82 3.753 -5.163 -5.194 658 HG23 VAL 82 HG23 VAL 82 4.963 -4.924 -3.937 659 H GLU 83 HN GLU 83 3.630 0.199 -5.454 660 HA GLU 83 HA GLU 83 5.054 0.571 -8.030 661 HB2 GLU 83 HB2 GLU 83 2.500 1.780 -7.095 662 HB3 GLU 83 HB3 GLU 83 3.634 2.924 -7.732 663 HG2 GLU 83 HG2 GLU 83 2.865 0.433 -9.300 664 HG3 GLU 83 HG3 GLU 83 1.846 1.862 -9.261 665 H PHE 84 HN PHE 84 6.137 2.583 -7.976 666 HA PHE 84 HA PHE 84 6.966 3.563 -5.279 667 HB2 PHE 84 HB2 PHE 84 8.443 1.675 -6.038 668 HB3 PHE 84 HB3 PHE 84 8.902 2.626 -7.429 669 HD1 PHE 84 HD1 PHE 84 8.564 3.720 -3.782 670 HD2 PHE 84 HD2 PHE 84 11.220 2.859 -7.087 671 HE1 PHE 84 HE1 PHE 84 10.498 4.493 -2.449 672 HE2 PHE 84 HE2 PHE 84 13.139 3.537 -5.706 673 HZ PHE 84 HZ PHE 84 12.771 4.405 -3.376 674 H ALA 85 HN ALA 85 6.742 5.718 -5.301 675 HA ALA 85 HA ALA 85 7.344 7.221 -7.819 676 HB1 ALA 85 HB1 ALA 85 5.665 8.880 -7.105 677 HB2 ALA 85 HB2 ALA 85 4.957 7.294 -7.471 678 HB3 ALA 85 HB3 ALA 85 5.188 7.808 -5.767 679 H LYS 86 HN LYS 86 9.482 6.937 -6.832 680 HA LYS 86 HA LYS 86 10.159 8.587 -4.546 681 HB2 LYS 86 HB2 LYS 86 11.240 6.369 -5.526 682 HB3 LYS 86 HB3 LYS 86 12.183 7.481 -6.514 683 HG2 LYS 86 HG2 LYS 86 11.909 7.469 -3.483 684 HG3 LYS 86 HG3 LYS 86 13.260 6.810 -4.362 685 HD2 LYS 86 HD2 LYS 86 13.227 9.436 -5.281 686 HD3 LYS 86 HD3 LYS 86 12.639 9.614 -3.629 687 HE2 LYS 86 HE2 LYS 86 14.968 9.836 -3.438 688 HE3 LYS 86 HE3 LYS 86 14.650 8.173 -2.940 689 HZ1 LYS 86 HZ1 LYS 86 15.624 9.034 -5.586 690 HZ2 LYS 86 HZ2 LYS 86 15.315 7.449 -5.153 691 HZ3 LYS 86 HZ3 LYS 86 16.505 8.290 -4.411 692 H GLY 87 HN GLY 87 8.835 10.347 -5.680 693 HA2 GLY 87 HA1 GLY 87 10.380 11.922 -7.680 694 HA3 GLY 87 HA2 GLY 87 8.734 12.233 -7.099 695 H SER 88 HN SER 88 12.200 12.558 -6.314 696 HA SER 88 HA SER 88 11.550 14.019 -3.825 697 HB2 SER 88 HB2 SER 88 13.907 13.673 -3.309 698 HB3 SER 88 HB3 SER 88 13.118 12.123 -3.667 699 HG SER 88 HG SER 88 14.471 13.738 -5.549 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 5.761 11.517 5.214 2 HA2 GLY 1 HA1 GLY 1 8.181 11.900 5.461 3 HA3 GLY 1 HA2 GLY 1 8.425 10.458 4.455 4 H HIS 2 HN HIS 2 9.614 11.920 2.986 5 HA HIS 2 HA HIS 2 8.011 13.186 0.981 6 HB2 HIS 2 HB2 HIS 2 9.623 14.837 2.968 7 HB3 HIS 2 HB3 HIS 2 9.486 15.348 1.288 8 HD1 HIS 2 HD1 HIS 2 7.074 14.862 4.356 9 HD2 HIS 2 HD2 HIS 2 7.396 16.650 0.547 10 HE1 HIS 2 HE1 HIS 2 5.099 16.404 4.115 11 H MET 3 HN MET 3 9.256 13.033 -0.898 12 HA MET 3 HA MET 3 10.852 12.232 -2.276 13 HB2 MET 3 HB2 MET 3 12.905 12.040 -0.064 14 HB3 MET 3 HB3 MET 3 13.133 11.907 -1.804 15 HG2 MET 3 HG2 MET 3 12.075 14.267 -1.924 16 HG3 MET 3 HG3 MET 3 12.421 14.374 -0.207 17 HE1 MET 3 HE1 MET 3 15.155 12.857 0.144 18 HE2 MET 3 HE2 MET 3 16.275 14.222 -0.023 19 HE3 MET 3 HE3 MET 3 14.738 14.432 0.857 20 H ASP 4 HN ASP 4 8.831 10.861 -0.860 21 HA ASP 4 HA ASP 4 9.474 8.176 -1.385 22 HB2 ASP 4 HB2 ASP 4 8.933 7.383 0.962 23 HB3 ASP 4 HB3 ASP 4 10.557 7.993 0.654 24 H THR 5 HN THR 5 7.618 7.631 -2.350 25 HA THR 5 HA THR 5 5.448 7.199 -0.552 26 HB THR 5 HB THR 5 4.785 8.329 -3.287 27 HG1 THR 5 HG1 THR 5 5.371 9.736 -1.345 28 HG21 THR 5 HG21 THR 5 2.879 7.446 -1.085 29 HG22 THR 5 HG22 THR 5 3.174 6.590 -2.617 30 HG23 THR 5 HG23 THR 5 2.453 8.192 -2.648 31 H ILE 6 HN ILE 6 4.804 5.113 -0.799 32 HA ILE 6 HA ILE 6 5.470 3.661 -3.313 33 HB ILE 6 HB ILE 6 4.977 2.450 -0.569 34 HG12 ILE 6 HG12 ILE 6 7.597 2.808 -2.075 35 HG13 ILE 6 HG13 ILE 6 7.135 3.564 -0.543 36 HG21 ILE 6 HG21 ILE 6 5.924 1.064 -3.094 37 HG22 ILE 6 HG22 ILE 6 5.476 0.316 -1.551 38 HG23 ILE 6 HG23 ILE 6 4.236 1.066 -2.545 39 HD11 ILE 6 HD11 ILE 6 7.714 0.628 -1.000 40 HD12 ILE 6 HD12 ILE 6 8.606 1.785 -0.009 41 HD13 ILE 6 HD13 ILE 6 6.980 1.283 0.490 42 H ILE 7 HN ILE 7 3.648 2.987 -4.388 43 HA ILE 7 HA ILE 7 0.993 3.673 -3.182 44 HB ILE 7 HB ILE 7 1.777 3.728 -6.122 45 HG12 ILE 7 HG12 ILE 7 1.298 5.912 -4.113 46 HG13 ILE 7 HG13 ILE 7 2.780 5.582 -4.996 47 HG21 ILE 7 HG21 ILE 7 -0.877 4.543 -4.894 48 HG22 ILE 7 HG22 ILE 7 -0.445 4.534 -6.614 49 HG23 ILE 7 HG23 ILE 7 -0.602 3.016 -5.766 50 HD11 ILE 7 HD11 ILE 7 1.679 6.226 -7.117 51 HD12 ILE 7 HD12 ILE 7 0.203 6.643 -6.214 52 HD13 ILE 7 HD13 ILE 7 1.686 7.535 -5.913 53 H LEU 8 HN LEU 8 -0.656 2.161 -3.419 54 HA LEU 8 HA LEU 8 0.145 -0.620 -4.181 55 HB2 LEU 8 HB2 LEU 8 -1.927 0.329 -2.173 56 HB3 LEU 8 HB3 LEU 8 -1.770 -1.322 -2.757 57 HG LEU 8 HG LEU 8 0.504 -1.440 -1.703 58 HD11 LEU 8 HD11 LEU 8 0.705 0.232 0.249 59 HD12 LEU 8 HD12 LEU 8 -0.397 1.286 -0.646 60 HD13 LEU 8 HD13 LEU 8 1.180 0.828 -1.344 61 HD21 LEU 8 HD21 LEU 8 -1.649 -2.298 -0.691 62 HD22 LEU 8 HD22 LEU 8 -1.804 -0.762 0.184 63 HD23 LEU 8 HD23 LEU 8 -0.421 -1.843 0.492 64 H ARG 9 HN ARG 9 -1.536 -1.774 -5.272 65 HA ARG 9 HA ARG 9 -3.974 -0.297 -6.100 66 HB2 ARG 9 HB2 ARG 9 -2.064 -1.711 -7.987 67 HB3 ARG 9 HB3 ARG 9 -3.672 -1.271 -8.440 68 HG2 ARG 9 HG2 ARG 9 -3.063 1.129 -8.077 69 HG3 ARG 9 HG3 ARG 9 -1.458 0.645 -7.532 70 HD2 ARG 9 HD2 ARG 9 -0.793 0.826 -9.679 71 HD3 ARG 9 HD3 ARG 9 -1.549 -0.757 -9.865 72 HE ARG 9 HE ARG 9 -3.220 0.264 -11.136 73 HH11 ARG 9 HH11 ARG 9 -1.392 2.795 -9.499 74 HH12 ARG 9 HH12 ARG 9 -2.529 4.069 -9.735 75 HH21 ARG 9 HH21 ARG 9 -4.749 2.013 -11.667 76 HH22 ARG 9 HH22 ARG 9 -4.489 3.597 -11.037 77 H ASN 10 HN ASN 10 -5.464 -1.929 -7.221 78 HA ASN 10 HA ASN 10 -6.832 -3.628 -7.031 79 HB2 ASN 10 HB2 ASN 10 -4.850 -4.825 -8.023 80 HB3 ASN 10 HB3 ASN 10 -4.475 -5.420 -6.409 81 HD21 ASN 10 HD21 ASN 10 -5.040 -7.606 -6.567 82 HD22 ASN 10 HD22 ASN 10 -6.575 -8.168 -7.253 83 H LEU 11 HN LEU 11 -6.318 -2.019 -4.525 84 HA LEU 11 HA LEU 11 -6.873 -3.823 -2.334 85 HB2 LEU 11 HB2 LEU 11 -7.565 -0.896 -2.888 86 HB3 LEU 11 HB3 LEU 11 -7.733 -1.686 -1.348 87 HG LEU 11 HG LEU 11 -5.880 -0.139 -1.522 88 HD11 LEU 11 HD11 LEU 11 -4.089 -1.481 -0.483 89 HD12 LEU 11 HD12 LEU 11 -4.896 -2.960 -1.026 90 HD13 LEU 11 HD13 LEU 11 -5.693 -1.870 0.143 91 HD21 LEU 11 HD21 LEU 11 -4.231 -1.963 -3.195 92 HD22 LEU 11 HD22 LEU 11 -3.954 -0.282 -2.697 93 HD23 LEU 11 HD23 LEU 11 -5.196 -0.638 -3.876 94 H ASN 12 HN ASN 12 -8.749 -5.070 -2.426 95 HA ASN 12 HA ASN 12 -10.878 -4.610 -4.252 96 HB2 ASN 12 HB2 ASN 12 -10.426 -6.464 -1.960 97 HB3 ASN 12 HB3 ASN 12 -12.076 -5.951 -2.084 98 HD21 ASN 12 HD21 ASN 12 -12.433 -8.363 -2.530 99 HD22 ASN 12 HD22 ASN 12 -12.471 -8.743 -4.198 100 HA PRO 13 HA PRO 13 -13.188 -1.350 -2.891 101 HB2 PRO 13 HB2 PRO 13 -15.839 -2.238 -3.058 102 HB3 PRO 13 HB3 PRO 13 -14.783 -1.780 -4.432 103 HG2 PRO 13 HG2 PRO 13 -15.358 -4.537 -3.330 104 HG3 PRO 13 HG3 PRO 13 -15.353 -3.996 -5.043 105 HD2 PRO 13 HD2 PRO 13 -13.252 -5.238 -4.039 106 HD3 PRO 13 HD3 PRO 13 -13.012 -3.821 -5.099 107 H HIS 14 HN HIS 14 -14.182 -4.352 -1.236 108 HA HIS 14 HA HIS 14 -14.936 -2.844 1.211 109 HB2 HIS 14 HB2 HIS 14 -15.452 -5.648 0.180 110 HB3 HIS 14 HB3 HIS 14 -15.815 -5.152 1.832 111 HD1 HIS 14 HD1 HIS 14 -17.443 -2.748 1.857 112 HD2 HIS 14 HD2 HIS 14 -17.566 -5.487 -1.351 113 HE1 HIS 14 HE1 HIS 14 -19.699 -2.424 0.718 114 H SER 15 HN SER 15 -12.010 -3.730 0.175 115 HA SER 15 HA SER 15 -11.088 -5.104 2.596 116 HB2 SER 15 HB2 SER 15 -9.633 -3.678 0.315 117 HB3 SER 15 HB3 SER 15 -8.841 -4.531 1.646 118 HG SER 15 HG SER 15 -10.479 -6.283 0.903 119 H THR 16 HN THR 16 -9.354 -3.986 3.936 120 HA THR 16 HA THR 16 -10.075 -1.130 4.409 121 HB THR 16 HB THR 16 -10.264 -1.409 6.671 122 HG1 THR 16 HG1 THR 16 -9.717 -3.441 7.696 123 HG21 THR 16 HG21 THR 16 -11.955 -2.990 7.065 124 HG22 THR 16 HG22 THR 16 -11.295 -4.153 5.890 125 HG23 THR 16 HG23 THR 16 -12.083 -2.671 5.325 126 H MET 17 HN MET 17 -8.108 -0.783 6.476 127 HA MET 17 HA MET 17 -5.560 -1.172 4.966 128 HB2 MET 17 HB2 MET 17 -4.522 0.415 6.382 129 HB3 MET 17 HB3 MET 17 -6.058 1.036 5.742 130 HG2 MET 17 HG2 MET 17 -7.153 0.616 7.922 131 HG3 MET 17 HG3 MET 17 -5.555 0.162 8.571 132 HE1 MET 17 HE1 MET 17 -3.874 1.678 9.505 133 HE2 MET 17 HE2 MET 17 -3.403 2.125 7.850 134 HE3 MET 17 HE3 MET 17 -3.668 3.388 9.070 135 H ASP 18 HN ASP 18 -6.888 -1.395 8.299 136 HA ASP 18 HA ASP 18 -5.169 -2.999 9.569 137 HB2 ASP 18 HB2 ASP 18 -6.999 -2.019 10.701 138 HB3 ASP 18 HB3 ASP 18 -8.175 -2.709 9.602 139 H SER 19 HN SER 19 -7.634 -4.093 7.329 140 HA SER 19 HA SER 19 -7.233 -6.926 8.120 141 HB2 SER 19 HB2 SER 19 -9.010 -5.648 6.062 142 HB3 SER 19 HB3 SER 19 -8.871 -7.416 6.267 143 HG SER 19 HG SER 19 -9.425 -7.071 8.510 144 H ILE 20 HN ILE 20 -5.796 -4.831 5.821 145 HA ILE 20 HA ILE 20 -4.537 -7.087 4.359 146 HB ILE 20 HB ILE 20 -4.256 -4.065 4.020 147 HG12 ILE 20 HG12 ILE 20 -5.894 -6.119 2.463 148 HG13 ILE 20 HG13 ILE 20 -6.509 -4.776 3.424 149 HG21 ILE 20 HG21 ILE 20 -3.236 -6.313 2.229 150 HG22 ILE 20 HG22 ILE 20 -3.020 -4.562 1.966 151 HG23 ILE 20 HG23 ILE 20 -2.231 -5.344 3.321 152 HD11 ILE 20 HD11 ILE 20 -4.987 -4.552 0.822 153 HD12 ILE 20 HD12 ILE 20 -6.672 -4.124 1.147 154 HD13 ILE 20 HD13 ILE 20 -5.370 -3.183 1.903 155 H LEU 21 HN LEU 21 -3.840 -4.334 6.572 156 HA LEU 21 HA LEU 21 -1.058 -4.708 6.751 157 HB2 LEU 21 HB2 LEU 21 -3.094 -3.513 8.676 158 HB3 LEU 21 HB3 LEU 21 -1.373 -3.494 9.018 159 HG LEU 21 HG LEU 21 -2.615 -2.219 6.536 160 HD11 LEU 21 HD11 LEU 21 -1.685 -0.927 9.115 161 HD12 LEU 21 HD12 LEU 21 -3.357 -1.028 8.499 162 HD13 LEU 21 HD13 LEU 21 -2.150 -0.071 7.630 163 HD21 LEU 21 HD21 LEU 21 -0.208 -2.851 6.254 164 HD22 LEU 21 HD22 LEU 21 0.185 -1.993 7.751 165 HD23 LEU 21 HD23 LEU 21 -0.411 -1.114 6.326 166 H GLY 22 HN GLY 22 -3.656 -6.237 8.670 167 HA2 GLY 22 HA1 GLY 22 -1.720 -7.648 10.320 168 HA3 GLY 22 HA2 GLY 22 -3.479 -7.814 10.362 169 H ALA 23 HN ALA 23 -2.117 -8.195 7.197 170 HA ALA 23 HA ALA 23 -1.876 -11.149 7.478 171 HB1 ALA 23 HB1 ALA 23 -3.347 -11.360 5.451 172 HB2 ALA 23 HB2 ALA 23 -4.176 -10.794 6.912 173 HB3 ALA 23 HB3 ALA 23 -3.741 -9.630 5.654 174 H LEU 24 HN LEU 24 -1.085 -8.202 5.733 175 HA LEU 24 HA LEU 24 0.755 -9.641 3.909 176 HB2 LEU 24 HB2 LEU 24 -1.329 -8.158 3.234 177 HB3 LEU 24 HB3 LEU 24 -0.230 -6.817 3.503 178 HG LEU 24 HG LEU 24 0.308 -9.168 1.613 179 HD11 LEU 24 HD11 LEU 24 -0.998 -6.478 1.074 180 HD12 LEU 24 HD12 LEU 24 -1.603 -8.099 0.721 181 HD13 LEU 24 HD13 LEU 24 -0.258 -7.463 -0.202 182 HD21 LEU 24 HD21 LEU 24 1.660 -6.445 1.866 183 HD22 LEU 24 HD22 LEU 24 1.907 -7.585 0.520 184 HD23 LEU 24 HD23 LEU 24 2.371 -8.043 2.147 185 H ALA 25 HN ALA 25 1.494 -9.190 6.690 186 HA ALA 25 HA ALA 25 3.677 -7.189 6.295 187 HB1 ALA 25 HB1 ALA 25 3.643 -6.822 8.608 188 HB2 ALA 25 HB2 ALA 25 2.032 -6.586 7.926 189 HB3 ALA 25 HB3 ALA 25 2.389 -8.065 8.858 190 HA PRO 26 HA PRO 26 5.745 -11.334 7.188 191 HB2 PRO 26 HB2 PRO 26 6.505 -12.267 4.732 192 HB3 PRO 26 HB3 PRO 26 4.916 -12.603 5.461 193 HG2 PRO 26 HG2 PRO 26 5.576 -10.508 3.391 194 HG3 PRO 26 HG3 PRO 26 4.213 -11.651 3.433 195 HD2 PRO 26 HD2 PRO 26 4.053 -9.022 4.317 196 HD3 PRO 26 HD3 PRO 26 3.088 -10.356 4.975 197 H TYR 27 HN TYR 27 6.648 -8.485 5.317 198 HA TYR 27 HA TYR 27 9.520 -9.071 5.927 199 HB2 TYR 27 HB2 TYR 27 8.517 -7.894 3.315 200 HB3 TYR 27 HB3 TYR 27 10.199 -8.134 3.774 201 HD1 TYR 27 HD1 TYR 27 11.126 -10.485 4.050 202 HD2 TYR 27 HD2 TYR 27 7.238 -9.677 2.405 203 HE1 TYR 27 HE1 TYR 27 11.009 -12.787 3.225 204 HE2 TYR 27 HE2 TYR 27 7.031 -12.022 1.664 205 HH TYR 27 HH TYR 27 8.022 -14.102 1.657 206 H ALA 28 HN ALA 28 6.978 -6.668 5.669 207 HA ALA 28 HA ALA 28 8.552 -4.847 7.316 208 HB1 ALA 28 HB1 ALA 28 8.886 -3.864 5.095 209 HB2 ALA 28 HB2 ALA 28 7.142 -3.983 4.735 210 HB3 ALA 28 HB3 ALA 28 7.728 -2.878 5.995 211 H VAL 29 HN VAL 29 6.971 -3.381 8.466 212 HA VAL 29 HA VAL 29 4.279 -4.577 8.711 213 HB VAL 29 HB VAL 29 6.144 -4.324 11.103 214 HG11 VAL 29 HG11 VAL 29 3.578 -5.914 10.682 215 HG12 VAL 29 HG12 VAL 29 4.469 -5.706 12.203 216 HG13 VAL 29 HG13 VAL 29 3.655 -4.323 11.449 217 HG21 VAL 29 HG21 VAL 29 6.303 -6.793 11.114 218 HG22 VAL 29 HG22 VAL 29 5.676 -6.837 9.459 219 HG23 VAL 29 HG23 VAL 29 7.215 -6.033 9.810 220 H LEU 30 HN LEU 30 3.653 -2.598 7.813 221 HA LEU 30 HA LEU 30 4.769 -0.107 8.580 222 HB2 LEU 30 HB2 LEU 30 2.126 -0.749 7.238 223 HB3 LEU 30 HB3 LEU 30 2.852 0.847 7.266 224 HG LEU 30 HG LEU 30 4.343 -1.547 6.089 225 HD11 LEU 30 HD11 LEU 30 3.546 -0.998 3.914 226 HD12 LEU 30 HD12 LEU 30 2.599 0.373 4.527 227 HD13 LEU 30 HD13 LEU 30 2.157 -1.306 4.960 228 HD21 LEU 30 HD21 LEU 30 4.631 1.465 5.722 229 HD22 LEU 30 HD22 LEU 30 5.543 0.220 4.835 230 HD23 LEU 30 HD23 LEU 30 5.741 0.380 6.582 231 H SER 31 HN SER 31 4.006 1.572 9.844 232 HA SER 31 HA SER 31 2.755 0.655 12.293 233 HB2 SER 31 HB2 SER 31 4.010 3.330 11.562 234 HB3 SER 31 HB3 SER 31 3.655 2.741 13.194 235 HG SER 31 HG SER 31 5.140 1.077 12.892 236 H SER 32 HN SER 32 0.845 0.772 10.276 237 HA SER 32 HA SER 32 -1.150 1.538 9.594 238 HB2 SER 32 HB2 SER 32 -1.193 2.616 12.417 239 HB3 SER 32 HB3 SER 32 -2.611 2.502 11.362 240 HG SER 32 HG SER 32 -2.037 0.746 12.882 241 H SER 33 HN SER 33 0.011 4.408 11.440 242 HA SER 33 HA SER 33 -1.192 6.419 9.962 243 HB2 SER 33 HB2 SER 33 -0.055 6.659 12.119 244 HB3 SER 33 HB3 SER 33 1.511 6.369 11.369 245 HG SER 33 HG SER 33 0.411 8.598 11.813 246 H ASN 34 HN ASN 34 1.879 4.716 9.262 247 HA ASN 34 HA ASN 34 2.819 6.123 7.074 248 HB2 ASN 34 HB2 ASN 34 2.612 3.095 7.285 249 HB3 ASN 34 HB3 ASN 34 3.588 3.947 6.096 250 HD21 ASN 34 HD21 ASN 34 5.117 5.779 7.361 251 HD22 ASN 34 HD22 ASN 34 5.946 5.083 8.725 252 H VAL 35 HN VAL 35 -0.142 4.128 7.148 253 HA VAL 35 HA VAL 35 -0.156 4.057 4.202 254 HB VAL 35 HB VAL 35 -1.615 2.274 6.180 255 HG11 VAL 35 HG11 VAL 35 -2.669 2.262 3.947 256 HG12 VAL 35 HG12 VAL 35 -1.088 1.944 3.193 257 HG13 VAL 35 HG13 VAL 35 -1.839 0.739 4.261 258 HG21 VAL 35 HG21 VAL 35 0.248 0.642 5.318 259 HG22 VAL 35 HG22 VAL 35 1.113 2.112 4.865 260 HG23 VAL 35 HG23 VAL 35 0.667 1.823 6.563 261 H ARG 36 HN ARG 36 -1.772 4.732 2.986 262 HA ARG 36 HA ARG 36 -4.167 6.057 4.197 263 HB2 ARG 36 HB2 ARG 36 -1.910 7.185 2.637 264 HB3 ARG 36 HB3 ARG 36 -3.463 7.562 1.921 265 HG2 ARG 36 HG2 ARG 36 -3.022 7.963 4.899 266 HG3 ARG 36 HG3 ARG 36 -2.449 9.153 3.735 267 HD2 ARG 36 HD2 ARG 36 -4.509 9.965 3.308 268 HD3 ARG 36 HD3 ARG 36 -5.204 8.370 3.127 269 HE ARG 36 HE ARG 36 -5.993 8.409 5.223 270 HH11 ARG 36 HH11 ARG 36 -3.663 11.089 5.013 271 HH12 ARG 36 HH12 ARG 36 -4.177 11.840 6.475 272 HH21 ARG 36 HH21 ARG 36 -6.843 9.522 7.021 273 HH22 ARG 36 HH22 ARG 36 -5.990 10.870 7.698 274 H VAL 37 HN VAL 37 -5.472 4.279 3.730 275 HA VAL 37 HA VAL 37 -6.106 3.756 0.875 276 HB VAL 37 HB VAL 37 -7.389 2.643 3.421 277 HG11 VAL 37 HG11 VAL 37 -7.670 1.750 0.528 278 HG12 VAL 37 HG12 VAL 37 -8.472 1.041 1.940 279 HG13 VAL 37 HG13 VAL 37 -8.890 2.676 1.432 280 HG21 VAL 37 HG21 VAL 37 -6.292 0.517 2.944 281 HG22 VAL 37 HG22 VAL 37 -5.401 1.248 1.599 282 HG23 VAL 37 HG23 VAL 37 -5.100 1.774 3.272 283 H ILE 38 HN ILE 38 -7.011 5.775 0.182 284 HA ILE 38 HA ILE 38 -8.766 7.231 2.027 285 HB ILE 38 HB ILE 38 -8.349 7.784 -0.919 286 HG12 ILE 38 HG12 ILE 38 -6.650 8.928 1.357 287 HG13 ILE 38 HG13 ILE 38 -6.093 7.727 0.185 288 HG21 ILE 38 HG21 ILE 38 -8.991 10.092 -0.268 289 HG22 ILE 38 HG22 ILE 38 -10.224 8.949 0.187 290 HG23 ILE 38 HG23 ILE 38 -9.123 9.591 1.423 291 HD11 ILE 38 HD11 ILE 38 -6.770 9.369 -1.634 292 HD12 ILE 38 HD12 ILE 38 -6.811 10.605 -0.363 293 HD13 ILE 38 HD13 ILE 38 -5.304 9.740 -0.692 294 H LYS 39 HN LYS 39 -11.068 7.108 1.972 295 HA LYS 39 HA LYS 39 -12.253 5.082 0.277 296 HB2 LYS 39 HB2 LYS 39 -13.428 6.989 2.324 297 HB3 LYS 39 HB3 LYS 39 -14.178 5.570 1.615 298 HG2 LYS 39 HG2 LYS 39 -11.877 5.565 3.577 299 HG3 LYS 39 HG3 LYS 39 -13.538 5.031 3.854 300 HD2 LYS 39 HD2 LYS 39 -13.187 3.260 2.067 301 HD3 LYS 39 HD3 LYS 39 -11.481 3.733 2.044 302 HE2 LYS 39 HE2 LYS 39 -11.474 1.907 3.454 303 HE3 LYS 39 HE3 LYS 39 -11.444 3.262 4.569 304 HZ1 LYS 39 HZ1 LYS 39 -13.796 2.885 5.018 305 HZ2 LYS 39 HZ2 LYS 39 -13.027 1.450 5.132 306 HZ3 LYS 39 HZ3 LYS 39 -13.880 1.749 3.792 307 H ASP 40 HN ASP 40 -14.072 5.529 -1.120 308 HA ASP 40 HA ASP 40 -13.899 7.841 -2.762 309 HB2 ASP 40 HB2 ASP 40 -14.843 5.470 -3.165 310 HB3 ASP 40 HB3 ASP 40 -16.336 6.081 -2.418 311 H LYS 41 HN LYS 41 -16.376 8.939 -3.180 312 HA LYS 41 HA LYS 41 -17.315 10.187 -0.609 313 HB2 LYS 41 HB2 LYS 41 -17.123 11.260 -3.448 314 HB3 LYS 41 HB3 LYS 41 -18.267 11.946 -2.321 315 HG2 LYS 41 HG2 LYS 41 -15.318 11.805 -1.676 316 HG3 LYS 41 HG3 LYS 41 -16.042 13.125 -2.613 317 HD2 LYS 41 HD2 LYS 41 -17.684 13.405 -0.643 318 HD3 LYS 41 HD3 LYS 41 -16.550 12.423 0.295 319 HE2 LYS 41 HE2 LYS 41 -15.852 14.936 -1.298 320 HE3 LYS 41 HE3 LYS 41 -16.216 14.950 0.422 321 HZ1 LYS 41 HZ1 LYS 41 -13.850 14.913 -0.251 322 HZ2 LYS 41 HZ2 LYS 41 -13.986 13.379 -0.731 323 HZ3 LYS 41 HZ3 LYS 41 -14.275 13.763 0.877 324 H GLN 42 HN GLN 42 -18.220 8.506 -3.599 325 HA GLN 42 HA GLN 42 -21.058 8.691 -2.763 326 HB2 GLN 42 HB2 GLN 42 -19.648 8.523 -5.332 327 HB3 GLN 42 HB3 GLN 42 -21.115 7.560 -5.217 328 HG2 GLN 42 HG2 GLN 42 -21.281 9.963 -6.142 329 HG3 GLN 42 HG3 GLN 42 -22.496 9.409 -5.000 330 HE21 GLN 42 HE21 GLN 42 -22.511 10.264 -2.831 331 HE22 GLN 42 HE22 GLN 42 -21.616 11.715 -2.406 332 H THR 43 HN THR 43 -18.433 6.331 -3.625 333 HA THR 43 HA THR 43 -20.463 4.279 -3.351 334 HB THR 43 HB THR 43 -18.758 2.731 -4.038 335 HG1 THR 43 HG1 THR 43 -16.656 3.546 -4.500 336 HG21 THR 43 HG21 THR 43 -18.526 5.303 -5.677 337 HG22 THR 43 HG22 THR 43 -19.869 4.138 -5.768 338 HG23 THR 43 HG23 THR 43 -18.230 3.644 -6.237 339 H GLN 44 HN GLN 44 -18.381 5.809 -1.087 340 HA GLN 44 HA GLN 44 -17.747 5.497 0.974 341 HB2 GLN 44 HB2 GLN 44 -19.844 3.360 1.238 342 HB3 GLN 44 HB3 GLN 44 -19.022 4.203 2.547 343 HG2 GLN 44 HG2 GLN 44 -20.898 5.487 0.522 344 HG3 GLN 44 HG3 GLN 44 -21.299 5.035 2.181 345 HE21 GLN 44 HE21 GLN 44 -20.796 7.771 0.468 346 HE22 GLN 44 HE22 GLN 44 -20.206 8.766 1.758 347 H LEU 45 HN LEU 45 -17.356 3.057 -1.202 348 HA LEU 45 HA LEU 45 -15.712 1.152 0.187 349 HB2 LEU 45 HB2 LEU 45 -15.679 2.056 -2.718 350 HB3 LEU 45 HB3 LEU 45 -15.067 0.532 -2.114 351 HG LEU 45 HG LEU 45 -17.998 1.314 -2.086 352 HD11 LEU 45 HD11 LEU 45 -17.175 1.237 -4.305 353 HD12 LEU 45 HD12 LEU 45 -18.178 -0.216 -3.999 354 HD13 LEU 45 HD13 LEU 45 -16.404 -0.306 -4.048 355 HD21 LEU 45 HD21 LEU 45 -18.288 -1.172 -1.719 356 HD22 LEU 45 HD22 LEU 45 -17.660 -0.256 -0.344 357 HD23 LEU 45 HD23 LEU 45 -16.569 -1.242 -1.306 358 H ASN 46 HN ASN 46 -13.471 0.963 -0.945 359 HA ASN 46 HA ASN 46 -11.729 3.206 -0.251 360 HB2 ASN 46 HB2 ASN 46 -10.951 0.741 -1.849 361 HB3 ASN 46 HB3 ASN 46 -9.930 1.863 -0.935 362 HD21 ASN 46 HD21 ASN 46 -10.655 -1.264 -0.733 363 HD22 ASN 46 HD22 ASN 46 -11.040 -1.317 0.965 364 H ARG 47 HN ARG 47 -10.230 4.135 -1.927 365 HA ARG 47 HA ARG 47 -11.492 4.543 -4.533 366 HB2 ARG 47 HB2 ARG 47 -8.839 5.455 -3.328 367 HB3 ARG 47 HB3 ARG 47 -9.269 5.713 -5.017 368 HG2 ARG 47 HG2 ARG 47 -11.580 6.507 -3.510 369 HG3 ARG 47 HG3 ARG 47 -10.186 7.122 -2.637 370 HD2 ARG 47 HD2 ARG 47 -11.003 8.750 -4.199 371 HD3 ARG 47 HD3 ARG 47 -9.380 8.243 -4.661 372 HE ARG 47 HE ARG 47 -11.386 6.708 -6.044 373 HH11 ARG 47 HH11 ARG 47 -9.746 9.899 -6.191 374 HH12 ARG 47 HH12 ARG 47 -10.388 10.263 -7.751 375 HH21 ARG 47 HH21 ARG 47 -12.091 7.223 -8.246 376 HH22 ARG 47 HH22 ARG 47 -11.792 8.805 -8.835 377 H GLY 48 HN GLY 48 -9.532 1.934 -3.310 378 HA2 GLY 48 HA1 GLY 48 -9.281 -0.013 -4.514 379 HA3 GLY 48 HA2 GLY 48 -9.447 0.834 -6.049 380 H PHE 49 HN PHE 49 -7.382 2.868 -4.690 381 HA PHE 49 HA PHE 49 -4.909 1.271 -4.813 382 HB2 PHE 49 HB2 PHE 49 -3.752 3.234 -5.786 383 HB3 PHE 49 HB3 PHE 49 -4.901 2.490 -6.880 384 HD1 PHE 49 HD1 PHE 49 -4.035 5.526 -4.988 385 HD2 PHE 49 HD2 PHE 49 -7.083 3.604 -7.356 386 HE1 PHE 49 HE1 PHE 49 -5.226 7.681 -5.230 387 HE2 PHE 49 HE2 PHE 49 -8.291 5.764 -7.559 388 HZ PHE 49 HZ PHE 49 -7.349 7.809 -6.506 389 H ALA 50 HN ALA 50 -3.184 2.417 -3.463 390 HA ALA 50 HA ALA 50 -4.228 4.175 -1.358 391 HB1 ALA 50 HB1 ALA 50 -3.602 2.660 0.476 392 HB2 ALA 50 HB2 ALA 50 -4.819 1.875 -0.551 393 HB3 ALA 50 HB3 ALA 50 -3.104 1.416 -0.668 394 H PHE 51 HN PHE 51 -2.280 4.509 0.294 395 HA PHE 51 HA PHE 51 0.220 4.823 -1.262 396 HB2 PHE 51 HB2 PHE 51 -1.219 6.798 0.564 397 HB3 PHE 51 HB3 PHE 51 0.296 7.081 -0.263 398 HD1 PHE 51 HD1 PHE 51 -3.328 7.243 -0.536 399 HD2 PHE 51 HD2 PHE 51 0.346 7.212 -2.761 400 HE1 PHE 51 HE1 PHE 51 -4.490 8.250 -2.458 401 HE2 PHE 51 HE2 PHE 51 -0.829 8.120 -4.744 402 HZ PHE 51 HZ PHE 51 -3.246 8.706 -4.570 403 H ILE 52 HN ILE 52 2.020 4.852 0.002 404 HA ILE 52 HA ILE 52 1.891 4.397 2.936 405 HB ILE 52 HB ILE 52 3.901 3.275 0.993 406 HG12 ILE 52 HG12 ILE 52 1.902 1.707 2.661 407 HG13 ILE 52 HG13 ILE 52 1.661 2.105 0.970 408 HG21 ILE 52 HG21 ILE 52 4.940 2.117 2.882 409 HG22 ILE 52 HG22 ILE 52 4.940 3.831 3.156 410 HG23 ILE 52 HG23 ILE 52 3.736 2.813 3.992 411 HD11 ILE 52 HD11 ILE 52 4.020 0.435 1.971 412 HD12 ILE 52 HD12 ILE 52 2.533 -0.217 1.324 413 HD13 ILE 52 HD13 ILE 52 3.574 0.772 0.286 414 H GLN 53 HN GLN 53 3.180 5.758 4.098 415 HA GLN 53 HA GLN 53 5.056 7.618 2.766 416 HB2 GLN 53 HB2 GLN 53 2.999 8.084 5.000 417 HB3 GLN 53 HB3 GLN 53 4.343 9.149 4.686 418 HG2 GLN 53 HG2 GLN 53 2.736 10.277 3.598 419 HG3 GLN 53 HG3 GLN 53 3.431 9.357 2.263 420 HE21 GLN 53 HE21 GLN 53 2.193 7.672 1.315 421 HE22 GLN 53 HE22 GLN 53 0.507 7.436 1.774 422 H LEU 54 HN LEU 54 6.927 6.524 3.257 423 HA LEU 54 HA LEU 54 7.376 5.372 5.957 424 HB2 LEU 54 HB2 LEU 54 8.267 4.728 3.192 425 HB3 LEU 54 HB3 LEU 54 9.457 4.454 4.445 426 HG LEU 54 HG LEU 54 6.660 3.283 4.516 427 HD11 LEU 54 HD11 LEU 54 7.705 1.177 3.780 428 HD12 LEU 54 HD12 LEU 54 9.278 1.992 3.634 429 HD13 LEU 54 HD13 LEU 54 7.929 2.444 2.568 430 HD21 LEU 54 HD21 LEU 54 7.727 1.678 6.145 431 HD22 LEU 54 HD22 LEU 54 7.569 3.325 6.738 432 HD23 LEU 54 HD23 LEU 54 9.152 2.731 6.179 433 H SER 55 HN SER 55 10.040 5.428 6.284 434 HA SER 55 HA SER 55 10.984 8.220 6.240 435 HB2 SER 55 HB2 SER 55 11.761 6.568 7.976 436 HB3 SER 55 HB3 SER 55 12.418 5.574 6.669 437 HG SER 55 HG SER 55 14.079 6.771 7.480 438 H THR 56 HN THR 56 12.664 8.873 4.692 439 HA THR 56 HA THR 56 12.231 8.087 2.066 440 HB THR 56 HB THR 56 14.626 9.461 3.327 441 HG1 THR 56 HG1 THR 56 11.996 10.316 2.695 442 HG21 THR 56 HG21 THR 56 14.786 10.723 1.223 443 HG22 THR 56 HG22 THR 56 13.476 9.739 0.533 444 HG23 THR 56 HG23 THR 56 15.027 8.990 0.954 445 H ILE 57 HN ILE 57 14.924 7.065 4.256 446 HA ILE 57 HA ILE 57 16.242 5.484 2.277 447 HB ILE 57 HB ILE 57 16.301 5.129 5.301 448 HG12 ILE 57 HG12 ILE 57 18.030 6.816 3.408 449 HG13 ILE 57 HG13 ILE 57 16.901 7.437 4.614 450 HG21 ILE 57 HG21 ILE 57 18.485 4.026 4.881 451 HG22 ILE 57 HG22 ILE 57 17.192 3.167 4.084 452 HG23 ILE 57 HG23 ILE 57 18.262 4.225 3.131 453 HD11 ILE 57 HD11 ILE 57 19.489 5.973 5.204 454 HD12 ILE 57 HD12 ILE 57 19.132 7.686 5.424 455 HD13 ILE 57 HD13 ILE 57 18.285 6.486 6.424 456 H GLU 58 HN GLU 58 13.803 4.674 4.763 457 HA GLU 58 HA GLU 58 13.778 1.875 4.309 458 HB2 GLU 58 HB2 GLU 58 11.580 3.704 5.360 459 HB3 GLU 58 HB3 GLU 58 11.591 1.938 5.448 460 HG2 GLU 58 HG2 GLU 58 13.796 2.113 6.701 461 HG3 GLU 58 HG3 GLU 58 13.546 3.843 6.807 462 H ALA 59 HN ALA 59 11.803 4.513 2.979 463 HA ALA 59 HA ALA 59 9.989 3.023 1.433 464 HB1 ALA 59 HB1 ALA 59 11.178 5.756 0.775 465 HB2 ALA 59 HB2 ALA 59 9.647 5.109 0.175 466 HB3 ALA 59 HB3 ALA 59 9.837 5.486 1.899 467 H ALA 60 HN ALA 60 13.249 4.237 0.565 468 HA ALA 60 HA ALA 60 13.261 3.062 -2.055 469 HB1 ALA 60 HB1 ALA 60 15.550 3.822 -0.182 470 HB2 ALA 60 HB2 ALA 60 15.727 3.406 -1.901 471 HB3 ALA 60 HB3 ALA 60 14.817 4.857 -1.423 472 H GLN 61 HN GLN 61 14.797 1.930 1.005 473 HA GLN 61 HA GLN 61 15.995 -0.394 -0.061 474 HB2 GLN 61 HB2 GLN 61 14.960 0.246 2.726 475 HB3 GLN 61 HB3 GLN 61 15.805 -1.259 2.350 476 HG2 GLN 61 HG2 GLN 61 17.789 0.069 1.598 477 HG3 GLN 61 HG3 GLN 61 16.977 1.534 2.178 478 HE21 GLN 61 HE21 GLN 61 15.718 0.067 4.519 479 HE22 GLN 61 HE22 GLN 61 16.999 -0.208 5.643 480 H LEU 62 HN LEU 62 12.855 -0.110 1.647 481 HA LEU 62 HA LEU 62 12.158 -2.848 1.569 482 HB2 LEU 62 HB2 LEU 62 11.175 -1.209 3.062 483 HB3 LEU 62 HB3 LEU 62 10.513 -0.283 1.722 484 HG LEU 62 HG LEU 62 8.973 -1.677 3.085 485 HD11 LEU 62 HD11 LEU 62 8.760 -2.096 0.115 486 HD12 LEU 62 HD12 LEU 62 8.284 -0.664 1.045 487 HD13 LEU 62 HD13 LEU 62 7.465 -2.193 1.327 488 HD21 LEU 62 HD21 LEU 62 10.295 -3.778 3.184 489 HD22 LEU 62 HD22 LEU 62 9.966 -4.052 1.466 490 HD23 LEU 62 HD23 LEU 62 8.631 -4.030 2.621 491 H LEU 63 HN LEU 63 11.514 -0.164 -0.723 492 HA LEU 63 HA LEU 63 9.710 -1.604 -2.366 493 HB2 LEU 63 HB2 LEU 63 10.089 0.879 -2.470 494 HB3 LEU 63 HB3 LEU 63 11.669 0.576 -3.186 495 HG LEU 63 HG LEU 63 10.072 -0.865 -4.903 496 HD11 LEU 63 HD11 LEU 63 8.013 -0.216 -3.736 497 HD12 LEU 63 HD12 LEU 63 8.051 0.399 -5.400 498 HD13 LEU 63 HD13 LEU 63 8.375 1.494 -4.041 499 HD21 LEU 63 HD21 LEU 63 11.718 0.652 -5.691 500 HD22 LEU 63 HD22 LEU 63 10.851 2.053 -5.035 501 HD23 LEU 63 HD23 LEU 63 10.188 1.142 -6.403 502 H GLN 64 HN GLN 64 13.299 -1.458 -2.309 503 HA GLN 64 HA GLN 64 13.639 -2.850 -4.822 504 HB2 GLN 64 HB2 GLN 64 15.485 -2.831 -2.395 505 HB3 GLN 64 HB3 GLN 64 15.946 -3.267 -4.043 506 HG2 GLN 64 HG2 GLN 64 15.313 -0.512 -2.952 507 HG3 GLN 64 HG3 GLN 64 16.854 -1.140 -3.454 508 HE21 GLN 64 HE21 GLN 64 13.585 -0.790 -4.933 509 HE22 GLN 64 HE22 GLN 64 14.224 -0.343 -6.502 510 H ILE 65 HN ILE 65 13.322 -3.951 -1.414 511 HA ILE 65 HA ILE 65 13.741 -6.742 -1.950 512 HB ILE 65 HB ILE 65 11.999 -5.484 0.215 513 HG12 ILE 65 HG12 ILE 65 14.904 -6.390 0.474 514 HG13 ILE 65 HG13 ILE 65 14.433 -4.715 0.237 515 HG21 ILE 65 HG21 ILE 65 12.333 -7.630 1.417 516 HG22 ILE 65 HG22 ILE 65 11.546 -7.892 -0.121 517 HG23 ILE 65 HG23 ILE 65 13.272 -8.253 0.046 518 HD11 ILE 65 HD11 ILE 65 14.781 -5.024 2.584 519 HD12 ILE 65 HD12 ILE 65 13.045 -4.811 2.322 520 HD13 ILE 65 HD13 ILE 65 13.722 -6.427 2.641 521 H LEU 66 HN LEU 66 10.754 -4.708 -1.821 522 HA LEU 66 HA LEU 66 8.984 -6.723 -2.623 523 HB2 LEU 66 HB2 LEU 66 8.763 -3.740 -2.986 524 HB3 LEU 66 HB3 LEU 66 7.486 -4.892 -3.329 525 HG LEU 66 HG LEU 66 8.691 -4.264 -0.623 526 HD11 LEU 66 HD11 LEU 66 7.005 -2.715 -1.514 527 HD12 LEU 66 HD12 LEU 66 6.367 -3.618 -0.127 528 HD13 LEU 66 HD13 LEU 66 5.874 -4.072 -1.768 529 HD21 LEU 66 HD21 LEU 66 8.364 -6.645 -0.527 530 HD22 LEU 66 HD22 LEU 66 6.762 -6.512 -1.293 531 HD23 LEU 66 HD23 LEU 66 7.049 -5.874 0.342 532 H GLN 67 HN GLN 67 11.321 -5.183 -4.592 533 HA GLN 67 HA GLN 67 10.028 -6.189 -7.060 534 HB2 GLN 67 HB2 GLN 67 12.150 -4.062 -6.597 535 HB3 GLN 67 HB3 GLN 67 11.653 -4.693 -8.181 536 HG2 GLN 67 HG2 GLN 67 9.313 -4.061 -7.732 537 HG3 GLN 67 HG3 GLN 67 9.755 -3.421 -6.159 538 HE21 GLN 67 HE21 GLN 67 8.667 -1.541 -6.996 539 HE22 GLN 67 HE22 GLN 67 9.438 -0.457 -8.122 540 H ALA 68 HN ALA 68 11.275 -7.849 -5.098 541 HA ALA 68 HA ALA 68 12.776 -9.460 -7.029 542 HB1 ALA 68 HB1 ALA 68 14.674 -9.900 -5.528 543 HB2 ALA 68 HB2 ALA 68 14.547 -8.168 -5.891 544 HB3 ALA 68 HB3 ALA 68 14.005 -8.785 -4.316 545 H LEU 69 HN LEU 69 11.249 -9.166 -3.862 546 HA LEU 69 HA LEU 69 11.643 -11.775 -2.966 547 HB2 LEU 69 HB2 LEU 69 10.454 -11.220 -1.091 548 HB3 LEU 69 HB3 LEU 69 11.462 -9.896 -1.566 549 HG LEU 69 HG LEU 69 9.836 -8.542 -1.474 550 HD11 LEU 69 HD11 LEU 69 8.069 -10.001 -3.459 551 HD12 LEU 69 HD12 LEU 69 9.172 -8.685 -3.786 552 HD13 LEU 69 HD13 LEU 69 7.741 -8.439 -2.777 553 HD21 LEU 69 HD21 LEU 69 8.050 -10.877 -0.807 554 HD22 LEU 69 HD22 LEU 69 7.655 -9.161 -0.504 555 HD23 LEU 69 HD23 LEU 69 9.061 -9.902 0.289 556 H HIS 70 HN HIS 70 9.382 -12.707 -1.835 557 HA HIS 70 HA HIS 70 7.948 -14.067 -3.932 558 HB2 HIS 70 HB2 HIS 70 7.687 -13.886 -0.914 559 HB3 HIS 70 HB3 HIS 70 6.417 -14.634 -1.867 560 HD1 HIS 70 HD1 HIS 70 6.711 -17.151 -1.401 561 HD2 HIS 70 HD2 HIS 70 10.264 -15.098 -2.401 562 HE1 HIS 70 HE1 HIS 70 8.538 -18.917 -1.603 563 HA PRO 71 HA PRO 71 4.871 -11.001 -4.646 564 HB2 PRO 71 HB2 PRO 71 2.725 -12.496 -5.486 565 HB3 PRO 71 HB3 PRO 71 4.191 -12.206 -6.456 566 HG2 PRO 71 HG2 PRO 71 3.553 -14.612 -4.713 567 HG3 PRO 71 HG3 PRO 71 4.162 -14.613 -6.406 568 HD2 PRO 71 HD2 PRO 71 5.822 -14.902 -4.240 569 HD3 PRO 71 HD3 PRO 71 6.346 -13.971 -5.683 570 HA PRO 72 HA PRO 72 2.628 -10.486 -1.060 571 HB2 PRO 72 HB2 PRO 72 0.416 -8.965 -1.839 572 HB3 PRO 72 HB3 PRO 72 2.093 -8.378 -1.616 573 HG2 PRO 72 HG2 PRO 72 0.584 -9.098 -4.100 574 HG3 PRO 72 HG3 PRO 72 1.796 -7.805 -3.880 575 HD2 PRO 72 HD2 PRO 72 2.314 -10.248 -5.068 576 HD3 PRO 72 HD3 PRO 72 3.556 -9.277 -4.223 577 H LEU 73 HN LEU 73 1.239 -11.329 0.303 578 HA LEU 73 HA LEU 73 -0.502 -13.539 -0.227 579 HB2 LEU 73 HB2 LEU 73 0.889 -13.018 1.801 580 HB3 LEU 73 HB3 LEU 73 -0.287 -11.795 2.257 581 HG LEU 73 HG LEU 73 -1.126 -14.674 1.704 582 HD11 LEU 73 HD11 LEU 73 -0.206 -13.614 4.403 583 HD12 LEU 73 HD12 LEU 73 0.727 -14.742 3.381 584 HD13 LEU 73 HD13 LEU 73 -0.827 -15.220 4.065 585 HD21 LEU 73 HD21 LEU 73 -2.868 -12.976 1.952 586 HD22 LEU 73 HD22 LEU 73 -2.250 -12.527 3.551 587 HD23 LEU 73 HD23 LEU 73 -2.944 -14.147 3.266 588 H THR 74 HN THR 74 -2.449 -13.375 -1.167 589 HA THR 74 HA THR 74 -3.929 -10.808 -1.241 590 HB THR 74 HB THR 74 -4.194 -11.729 -3.303 591 HG1 THR 74 HG1 THR 74 -6.311 -13.092 -2.100 592 HG21 THR 74 HG21 THR 74 -4.444 -14.503 -2.120 593 HG22 THR 74 HG22 THR 74 -3.098 -13.848 -3.120 594 HG23 THR 74 HG23 THR 74 -4.702 -14.058 -3.827 595 H ILE 75 HN ILE 75 -5.905 -10.503 -0.214 596 HA ILE 75 HA ILE 75 -6.625 -12.447 1.907 597 HB ILE 75 HB ILE 75 -6.709 -9.519 2.543 598 HG12 ILE 75 HG12 ILE 75 -4.406 -9.812 3.639 599 HG13 ILE 75 HG13 ILE 75 -4.091 -11.017 2.408 600 HG21 ILE 75 HG21 ILE 75 -7.631 -11.211 4.061 601 HG22 ILE 75 HG22 ILE 75 -6.025 -11.976 4.167 602 HG23 ILE 75 HG23 ILE 75 -6.291 -10.332 4.793 603 HD11 ILE 75 HD11 ILE 75 -4.945 -8.118 1.917 604 HD12 ILE 75 HD12 ILE 75 -3.277 -8.691 1.960 605 HD13 ILE 75 HD13 ILE 75 -4.363 -9.248 0.674 606 H ASP 76 HN ASP 76 -7.845 -11.688 -0.726 607 HA ASP 76 HA ASP 76 -10.571 -11.895 -0.100 608 HB2 ASP 76 HB2 ASP 76 -10.009 -9.299 0.360 609 HB3 ASP 76 HB3 ASP 76 -10.284 -9.155 -1.338 610 H GLY 77 HN GLY 77 -8.339 -12.879 -1.951 611 HA2 GLY 77 HA1 GLY 77 -8.104 -13.637 -4.012 612 HA3 GLY 77 HA2 GLY 77 -9.776 -13.155 -4.391 613 H LYS 78 HN LYS 78 -7.500 -10.763 -3.293 614 HA LYS 78 HA LYS 78 -7.107 -9.637 -5.988 615 HB2 LYS 78 HB2 LYS 78 -6.923 -7.478 -4.457 616 HB3 LYS 78 HB3 LYS 78 -8.417 -8.000 -5.198 617 HG2 LYS 78 HG2 LYS 78 -8.795 -7.336 -2.954 618 HG3 LYS 78 HG3 LYS 78 -9.146 -9.028 -3.135 619 HD2 LYS 78 HD2 LYS 78 -8.056 -8.946 -1.052 620 HD3 LYS 78 HD3 LYS 78 -6.749 -9.321 -2.143 621 HE2 LYS 78 HE2 LYS 78 -5.674 -7.649 -1.153 622 HE3 LYS 78 HE3 LYS 78 -6.642 -6.604 -2.191 623 HZ1 LYS 78 HZ1 LYS 78 -6.730 -5.988 0.203 624 HZ2 LYS 78 HZ2 LYS 78 -7.424 -7.424 0.579 625 HZ3 LYS 78 HZ3 LYS 78 -8.235 -6.380 -0.330 626 H THR 79 HN THR 79 -5.018 -10.457 -6.382 627 HA THR 79 HA THR 79 -3.002 -10.242 -4.359 628 HB THR 79 HB THR 79 -2.423 -10.217 -7.332 629 HG1 THR 79 HG1 THR 79 -3.634 -11.957 -7.278 630 HG21 THR 79 HG21 THR 79 -1.056 -11.347 -4.835 631 HG22 THR 79 HG22 THR 79 -0.564 -9.908 -5.746 632 HG23 THR 79 HG23 THR 79 -0.443 -11.503 -6.508 633 H ILE 80 HN ILE 80 -2.199 -8.384 -3.542 634 HA ILE 80 HA ILE 80 -2.866 -5.798 -4.606 635 HB ILE 80 HB ILE 80 -0.897 -6.637 -2.455 636 HG12 ILE 80 HG12 ILE 80 -3.153 -7.336 -1.844 637 HG13 ILE 80 HG13 ILE 80 -2.637 -5.995 -0.839 638 HG21 ILE 80 HG21 ILE 80 -1.922 -3.838 -3.058 639 HG22 ILE 80 HG22 ILE 80 -1.209 -4.330 -1.505 640 HG23 ILE 80 HG23 ILE 80 -0.240 -4.416 -2.958 641 HD11 ILE 80 HD11 ILE 80 -3.949 -4.451 -2.487 642 HD12 ILE 80 HD12 ILE 80 -4.655 -5.957 -3.096 643 HD13 ILE 80 HD13 ILE 80 -4.862 -5.474 -1.396 644 H ASN 81 HN ASN 81 -1.174 -4.132 -5.033 645 HA ASN 81 HA ASN 81 0.974 -5.146 -6.830 646 HB2 ASN 81 HB2 ASN 81 -1.377 -3.502 -7.417 647 HB3 ASN 81 HB3 ASN 81 0.100 -2.586 -7.727 648 HD21 ASN 81 HD21 ASN 81 -0.694 -5.978 -8.097 649 HD22 ASN 81 HD22 ASN 81 -0.076 -6.112 -9.736 650 H VAL 82 HN VAL 82 2.719 -3.559 -7.130 651 HA VAL 82 HA VAL 82 3.085 -1.695 -4.838 652 HB VAL 82 HB VAL 82 5.399 -3.092 -6.245 653 HG11 VAL 82 HG11 VAL 82 5.873 -1.118 -4.843 654 HG12 VAL 82 HG12 VAL 82 5.083 -1.898 -3.457 655 HG13 VAL 82 HG13 VAL 82 6.570 -2.583 -4.154 656 HG21 VAL 82 HG21 VAL 82 4.078 -4.982 -5.386 657 HG22 VAL 82 HG22 VAL 82 5.496 -4.746 -4.385 658 HG23 VAL 82 HG23 VAL 82 3.909 -4.181 -3.802 659 H GLU 83 HN GLU 83 3.882 0.360 -5.467 660 HA GLU 83 HA GLU 83 4.915 0.819 -8.147 661 HB2 GLU 83 HB2 GLU 83 2.306 1.852 -7.095 662 HB3 GLU 83 HB3 GLU 83 3.306 3.016 -7.916 663 HG2 GLU 83 HG2 GLU 83 2.647 0.377 -9.254 664 HG3 GLU 83 HG3 GLU 83 1.538 1.741 -9.250 665 H PHE 84 HN PHE 84 5.757 3.050 -8.189 666 HA PHE 84 HA PHE 84 6.610 4.077 -5.512 667 HB2 PHE 84 HB2 PHE 84 8.308 2.580 -6.752 668 HB3 PHE 84 HB3 PHE 84 8.437 3.857 -7.929 669 HD1 PHE 84 HD1 PHE 84 8.386 3.849 -4.129 670 HD2 PHE 84 HD2 PHE 84 10.574 4.842 -7.699 671 HE1 PHE 84 HE1 PHE 84 10.380 4.372 -2.756 672 HE2 PHE 84 HE2 PHE 84 12.518 5.479 -6.321 673 HZ PHE 84 HZ PHE 84 12.440 5.230 -3.838 674 H ALA 85 HN ALA 85 6.244 6.231 -5.342 675 HA ALA 85 HA ALA 85 6.134 7.908 -7.789 676 HB1 ALA 85 HB1 ALA 85 4.090 7.949 -5.529 677 HB2 ALA 85 HB2 ALA 85 4.221 9.147 -6.835 678 HB3 ALA 85 HB3 ALA 85 3.807 7.471 -7.227 679 H LYS 86 HN LYS 86 8.378 7.872 -6.864 680 HA LYS 86 HA LYS 86 8.907 9.299 -4.399 681 HB2 LYS 86 HB2 LYS 86 10.155 7.340 -5.577 682 HB3 LYS 86 HB3 LYS 86 10.909 8.571 -6.589 683 HG2 LYS 86 HG2 LYS 86 11.031 8.272 -3.555 684 HG3 LYS 86 HG3 LYS 86 12.324 7.900 -4.689 685 HD2 LYS 86 HD2 LYS 86 11.213 10.674 -4.123 686 HD3 LYS 86 HD3 LYS 86 12.667 9.993 -3.394 687 HE2 LYS 86 HE2 LYS 86 13.985 10.163 -5.235 688 HE3 LYS 86 HE3 LYS 86 12.647 9.874 -6.353 689 HZ1 LYS 86 HZ1 LYS 86 11.883 12.049 -6.068 690 HZ2 LYS 86 HZ2 LYS 86 13.447 12.105 -6.516 691 HZ3 LYS 86 HZ3 LYS 86 13.049 12.446 -4.953 692 H GLY 87 HN GLY 87 7.313 11.056 -5.651 693 HA2 GLY 87 HA1 GLY 87 7.195 13.233 -6.415 694 HA3 GLY 87 HA2 GLY 87 8.907 13.391 -6.012 695 H SER 88 HN SER 88 8.127 10.934 -8.314 696 HA SER 88 HA SER 88 9.341 12.497 -10.522 697 HB2 SER 88 HB2 SER 88 9.395 9.680 -9.606 698 HB3 SER 88 HB3 SER 88 9.563 9.990 -11.350 699 HG SER 88 HG SER 88 11.075 11.408 -9.392 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 8.088 14.273 6.214 2 HA2 GLY 1 HA1 GLY 1 10.287 13.849 4.272 3 HA3 GLY 1 HA2 GLY 1 9.089 12.615 4.711 4 H HIS 2 HN HIS 2 9.315 13.193 2.040 5 HA HIS 2 HA HIS 2 6.739 14.372 1.320 6 HB2 HIS 2 HB2 HIS 2 9.364 15.798 0.776 7 HB3 HIS 2 HB3 HIS 2 8.175 15.701 -0.487 8 HD1 HIS 2 HD1 HIS 2 7.523 16.762 3.220 9 HD2 HIS 2 HD2 HIS 2 7.254 18.014 -0.777 10 HE1 HIS 2 HE1 HIS 2 6.597 19.114 3.272 11 H MET 3 HN MET 3 9.958 13.748 -0.141 12 HA MET 3 HA MET 3 9.194 12.121 -2.356 13 HB2 MET 3 HB2 MET 3 11.481 11.428 -2.363 14 HB3 MET 3 HB3 MET 3 11.399 13.170 -2.140 15 HG2 MET 3 HG2 MET 3 11.844 11.177 0.119 16 HG3 MET 3 HG3 MET 3 13.134 11.927 -0.797 17 HE1 MET 3 HE1 MET 3 14.248 14.081 -0.155 18 HE2 MET 3 HE2 MET 3 14.063 14.600 1.539 19 HE3 MET 3 HE3 MET 3 14.399 12.889 1.162 20 H ASP 4 HN ASP 4 9.722 9.832 -2.536 21 HA ASP 4 HA ASP 4 9.604 7.718 -2.107 22 HB2 ASP 4 HB2 ASP 4 10.360 8.526 0.706 23 HB3 ASP 4 HB3 ASP 4 10.128 6.898 0.105 24 H THR 5 HN THR 5 7.658 7.611 -2.851 25 HA THR 5 HA THR 5 5.446 7.229 -0.926 26 HB THR 5 HB THR 5 5.086 7.995 -3.835 27 HG1 THR 5 HG1 THR 5 6.031 9.772 -3.185 28 HG21 THR 5 HG21 THR 5 2.886 8.719 -3.089 29 HG22 THR 5 HG22 THR 5 3.302 8.325 -1.404 30 HG23 THR 5 HG23 THR 5 3.162 7.032 -2.605 31 H ILE 6 HN ILE 6 5.231 5.088 -0.766 32 HA ILE 6 HA ILE 6 5.577 3.369 -3.177 33 HB ILE 6 HB ILE 6 4.972 2.549 -0.311 34 HG12 ILE 6 HG12 ILE 6 7.542 2.376 -1.925 35 HG13 ILE 6 HG13 ILE 6 7.256 3.330 -0.461 36 HG21 ILE 6 HG21 ILE 6 5.115 0.297 -1.067 37 HG22 ILE 6 HG22 ILE 6 3.949 1.082 -2.096 38 HG23 ILE 6 HG23 ILE 6 5.593 0.805 -2.713 39 HD11 ILE 6 HD11 ILE 6 7.408 0.317 -0.666 40 HD12 ILE 6 HD12 ILE 6 8.483 1.407 0.199 41 HD13 ILE 6 HD13 ILE 6 6.829 1.177 0.787 42 H ILE 7 HN ILE 7 3.679 2.611 -4.110 43 HA ILE 7 HA ILE 7 1.102 3.556 -2.979 44 HB ILE 7 HB ILE 7 1.827 3.466 -5.929 45 HG12 ILE 7 HG12 ILE 7 1.835 5.792 -3.982 46 HG13 ILE 7 HG13 ILE 7 3.162 5.226 -4.995 47 HG21 ILE 7 HG21 ILE 7 -0.595 4.748 -4.611 48 HG22 ILE 7 HG22 ILE 7 -0.278 4.548 -6.348 49 HG23 ILE 7 HG23 ILE 7 -0.595 3.142 -5.364 50 HD11 ILE 7 HD11 ILE 7 0.661 6.610 -5.987 51 HD12 ILE 7 HD12 ILE 7 2.261 7.303 -5.857 52 HD13 ILE 7 HD13 ILE 7 1.976 5.976 -7.013 53 H LEU 8 HN LEU 8 -0.502 2.000 -3.095 54 HA LEU 8 HA LEU 8 0.277 -0.723 -4.040 55 HB2 LEU 8 HB2 LEU 8 -1.839 0.043 -1.983 56 HB3 LEU 8 HB3 LEU 8 -1.543 -1.582 -2.613 57 HG LEU 8 HG LEU 8 0.253 0.066 -0.815 58 HD11 LEU 8 HD11 LEU 8 -1.649 -1.110 0.233 59 HD12 LEU 8 HD12 LEU 8 -0.113 -1.861 0.718 60 HD13 LEU 8 HD13 LEU 8 -1.135 -2.631 -0.518 61 HD21 LEU 8 HD21 LEU 8 1.781 -1.053 -2.349 62 HD22 LEU 8 HD22 LEU 8 0.910 -2.584 -2.174 63 HD23 LEU 8 HD23 LEU 8 1.806 -1.907 -0.808 64 H ARG 9 HN ARG 9 -1.415 -1.825 -5.112 65 HA ARG 9 HA ARG 9 -3.625 -0.204 -6.334 66 HB2 ARG 9 HB2 ARG 9 -1.675 -2.124 -7.576 67 HB3 ARG 9 HB3 ARG 9 -3.061 -1.529 -8.458 68 HG2 ARG 9 HG2 ARG 9 -2.166 0.698 -8.536 69 HG3 ARG 9 HG3 ARG 9 -0.791 0.258 -7.501 70 HD2 ARG 9 HD2 ARG 9 0.305 -0.893 -9.160 71 HD3 ARG 9 HD3 ARG 9 -1.174 -1.445 -9.959 72 HE ARG 9 HE ARG 9 -0.358 1.409 -10.037 73 HH11 ARG 9 HH11 ARG 9 -0.365 -1.640 -11.965 74 HH12 ARG 9 HH12 ARG 9 -0.201 -0.763 -13.430 75 HH21 ARG 9 HH21 ARG 9 -0.423 2.472 -12.007 76 HH22 ARG 9 HH22 ARG 9 -0.257 1.590 -13.481 77 H ASN 10 HN ASN 10 -5.122 -1.769 -7.501 78 HA ASN 10 HA ASN 10 -6.616 -3.407 -7.427 79 HB2 ASN 10 HB2 ASN 10 -4.701 -4.488 -8.605 80 HB3 ASN 10 HB3 ASN 10 -4.210 -5.238 -7.096 81 HD21 ASN 10 HD21 ASN 10 -5.043 -7.307 -6.900 82 HD22 ASN 10 HD22 ASN 10 -6.552 -7.869 -7.614 83 H LEU 11 HN LEU 11 -6.731 -2.133 -5.219 84 HA LEU 11 HA LEU 11 -7.024 -4.093 -2.988 85 HB2 LEU 11 HB2 LEU 11 -7.511 -1.080 -3.083 86 HB3 LEU 11 HB3 LEU 11 -7.527 -2.060 -1.636 87 HG LEU 11 HG LEU 11 -5.006 -1.819 -3.358 88 HD11 LEU 11 HD11 LEU 11 -5.785 -0.006 -1.051 89 HD12 LEU 11 HD12 LEU 11 -5.678 0.439 -2.765 90 HD13 LEU 11 HD13 LEU 11 -4.218 -0.047 -1.903 91 HD21 LEU 11 HD21 LEU 11 -5.186 -3.597 -1.554 92 HD22 LEU 11 HD22 LEU 11 -5.296 -2.269 -0.375 93 HD23 LEU 11 HD23 LEU 11 -3.839 -2.454 -1.371 94 H ASN 12 HN ASN 12 -9.061 -4.914 -2.458 95 HA ASN 12 HA ASN 12 -11.152 -4.589 -4.389 96 HB2 ASN 12 HB2 ASN 12 -12.328 -6.223 -3.077 97 HB3 ASN 12 HB3 ASN 12 -10.687 -6.676 -3.277 98 HD21 ASN 12 HD21 ASN 12 -9.969 -7.663 -1.433 99 HD22 ASN 12 HD22 ASN 12 -10.393 -7.110 0.160 100 HA PRO 13 HA PRO 13 -13.370 -1.308 -2.388 101 HB2 PRO 13 HB2 PRO 13 -16.014 -2.094 -2.664 102 HB3 PRO 13 HB3 PRO 13 -14.979 -1.487 -3.999 103 HG2 PRO 13 HG2 PRO 13 -15.553 -4.371 -3.188 104 HG3 PRO 13 HG3 PRO 13 -15.623 -3.647 -4.824 105 HD2 PRO 13 HD2 PRO 13 -13.500 -4.969 -4.172 106 HD3 PRO 13 HD3 PRO 13 -13.320 -3.404 -4.990 107 H HIS 14 HN HIS 14 -13.711 -4.516 -0.995 108 HA HIS 14 HA HIS 14 -15.137 -3.605 1.398 109 HB2 HIS 14 HB2 HIS 14 -14.269 -6.175 0.159 110 HB3 HIS 14 HB3 HIS 14 -13.947 -6.088 1.884 111 HD1 HIS 14 HD1 HIS 14 -15.950 -6.418 3.457 112 HD2 HIS 14 HD2 HIS 14 -16.984 -5.588 -0.548 113 HE1 HIS 14 HE1 HIS 14 -18.464 -6.732 3.291 114 H SER 15 HN SER 15 -11.759 -4.032 0.271 115 HA SER 15 HA SER 15 -10.780 -4.621 2.745 116 HB2 SER 15 HB2 SER 15 -8.571 -4.269 1.805 117 HB3 SER 15 HB3 SER 15 -9.665 -5.099 0.715 118 HG SER 15 HG SER 15 -9.969 -3.065 -0.367 119 H THR 16 HN THR 16 -8.932 -3.494 3.868 120 HA THR 16 HA THR 16 -8.951 -0.664 3.725 121 HB THR 16 HB THR 16 -10.604 -0.726 5.423 122 HG1 THR 16 HG1 THR 16 -9.573 -0.027 7.281 123 HG21 THR 16 HG21 THR 16 -9.062 -2.896 6.878 124 HG22 THR 16 HG22 THR 16 -10.616 -3.094 6.052 125 HG23 THR 16 HG23 THR 16 -10.515 -2.078 7.486 126 H MET 17 HN MET 17 -7.071 0.055 5.119 127 HA MET 17 HA MET 17 -4.651 -1.446 4.930 128 HB2 MET 17 HB2 MET 17 -3.773 0.381 6.272 129 HB3 MET 17 HB3 MET 17 -4.828 0.962 4.978 130 HG2 MET 17 HG2 MET 17 -6.682 0.882 6.890 131 HG3 MET 17 HG3 MET 17 -5.270 1.022 7.932 132 HE1 MET 17 HE1 MET 17 -7.951 2.926 7.472 133 HE2 MET 17 HE2 MET 17 -6.764 3.088 8.778 134 HE3 MET 17 HE3 MET 17 -7.188 4.503 7.786 135 H ASP 18 HN ASP 18 -7.276 -1.023 7.388 136 HA ASP 18 HA ASP 18 -5.788 -2.079 9.516 137 HB2 ASP 18 HB2 ASP 18 -8.094 -0.954 9.530 138 HB3 ASP 18 HB3 ASP 18 -8.769 -2.562 9.219 139 H SER 19 HN SER 19 -7.233 -3.701 6.889 140 HA SER 19 HA SER 19 -7.126 -6.454 7.996 141 HB2 SER 19 HB2 SER 19 -8.965 -6.090 6.544 142 HB3 SER 19 HB3 SER 19 -8.001 -5.170 5.396 143 HG SER 19 HG SER 19 -8.046 -7.965 5.760 144 H ILE 20 HN ILE 20 -5.740 -4.650 5.289 145 HA ILE 20 HA ILE 20 -3.834 -6.574 4.531 146 HB ILE 20 HB ILE 20 -4.099 -3.627 3.877 147 HG12 ILE 20 HG12 ILE 20 -5.185 -6.085 2.433 148 HG13 ILE 20 HG13 ILE 20 -6.158 -5.002 3.398 149 HG21 ILE 20 HG21 ILE 20 -1.864 -4.518 3.209 150 HG22 ILE 20 HG22 ILE 20 -2.694 -5.741 2.209 151 HG23 ILE 20 HG23 ILE 20 -2.834 -4.005 1.845 152 HD11 ILE 20 HD11 ILE 20 -6.506 -4.399 1.134 153 HD12 ILE 20 HD12 ILE 20 -5.545 -3.117 1.876 154 HD13 ILE 20 HD13 ILE 20 -4.776 -4.321 0.802 155 H LEU 21 HN LEU 21 -3.558 -3.923 6.867 156 HA LEU 21 HA LEU 21 -0.716 -4.040 7.004 157 HB2 LEU 21 HB2 LEU 21 -2.882 -3.230 9.017 158 HB3 LEU 21 HB3 LEU 21 -1.192 -3.111 9.449 159 HG LEU 21 HG LEU 21 -2.343 -1.612 7.058 160 HD11 LEU 21 HD11 LEU 21 -2.441 0.353 8.518 161 HD12 LEU 21 HD12 LEU 21 -1.919 -0.620 9.914 162 HD13 LEU 21 HD13 LEU 21 -3.499 -0.917 9.159 163 HD21 LEU 21 HD21 LEU 21 0.038 -1.828 6.927 164 HD22 LEU 21 HD22 LEU 21 0.227 -1.413 8.644 165 HD23 LEU 21 HD23 LEU 21 -0.320 -0.186 7.492 166 H GLY 22 HN GLY 22 -3.039 -6.290 8.182 167 HA2 GLY 22 HA1 GLY 22 -0.948 -7.619 9.886 168 HA3 GLY 22 HA2 GLY 22 -2.675 -8.003 9.860 169 H ALA 23 HN ALA 23 -2.866 -7.934 6.888 170 HA ALA 23 HA ALA 23 -2.162 -10.749 6.607 171 HB1 ALA 23 HB1 ALA 23 -3.576 -10.552 4.568 172 HB2 ALA 23 HB2 ALA 23 -4.394 -10.051 6.064 173 HB3 ALA 23 HB3 ALA 23 -3.786 -8.820 4.939 174 H LEU 24 HN LEU 24 -1.196 -7.619 5.121 175 HA LEU 24 HA LEU 24 0.580 -9.047 3.201 176 HB2 LEU 24 HB2 LEU 24 -1.208 -7.410 2.446 177 HB3 LEU 24 HB3 LEU 24 -0.351 -6.179 3.355 178 HG LEU 24 HG LEU 24 1.704 -6.914 1.794 179 HD11 LEU 24 HD11 LEU 24 0.464 -8.834 0.789 180 HD12 LEU 24 HD12 LEU 24 1.029 -7.656 -0.411 181 HD13 LEU 24 HD13 LEU 24 -0.682 -7.698 0.073 182 HD21 LEU 24 HD21 LEU 24 -0.640 -5.262 0.760 183 HD22 LEU 24 HD22 LEU 24 1.027 -5.202 0.165 184 HD23 LEU 24 HD23 LEU 24 0.674 -4.676 1.813 185 H ALA 25 HN ALA 25 1.307 -9.145 5.932 186 HA ALA 25 HA ALA 25 3.537 -7.127 6.124 187 HB1 ALA 25 HB1 ALA 25 1.730 -6.728 7.744 188 HB2 ALA 25 HB2 ALA 25 1.883 -8.400 8.347 189 HB3 ALA 25 HB3 ALA 25 3.218 -7.250 8.539 190 HA PRO 26 HA PRO 26 4.851 -11.677 6.142 191 HB2 PRO 26 HB2 PRO 26 6.371 -11.810 3.844 192 HB3 PRO 26 HB3 PRO 26 4.607 -12.029 3.838 193 HG2 PRO 26 HG2 PRO 26 6.098 -9.441 3.330 194 HG3 PRO 26 HG3 PRO 26 4.888 -10.226 2.280 195 HD2 PRO 26 HD2 PRO 26 4.207 -8.271 4.004 196 HD3 PRO 26 HD3 PRO 26 3.179 -9.737 3.869 197 H TYR 27 HN TYR 27 6.589 -8.673 5.678 198 HA TYR 27 HA TYR 27 9.067 -9.836 6.845 199 HB2 TYR 27 HB2 TYR 27 9.230 -7.851 4.582 200 HB3 TYR 27 HB3 TYR 27 10.461 -8.935 5.169 201 HD1 TYR 27 HD1 TYR 27 8.317 -8.289 2.566 202 HD2 TYR 27 HD2 TYR 27 9.809 -11.592 4.834 203 HE1 TYR 27 HE1 TYR 27 7.576 -9.856 0.762 204 HE2 TYR 27 HE2 TYR 27 9.115 -13.167 3.045 205 HH TYR 27 HH TYR 27 7.935 -13.391 0.961 206 H ALA 28 HN ALA 28 7.490 -6.763 5.755 207 HA ALA 28 HA ALA 28 8.471 -5.419 8.222 208 HB1 ALA 28 HB1 ALA 28 8.040 -3.324 6.942 209 HB2 ALA 28 HB2 ALA 28 9.262 -4.339 6.143 210 HB3 ALA 28 HB3 ALA 28 7.583 -4.280 5.528 211 H VAL 29 HN VAL 29 6.954 -3.862 9.108 212 HA VAL 29 HA VAL 29 4.108 -4.417 8.571 213 HB VAL 29 HB VAL 29 5.203 -4.274 11.383 214 HG11 VAL 29 HG11 VAL 29 2.775 -3.859 10.994 215 HG12 VAL 29 HG12 VAL 29 2.641 -5.421 10.161 216 HG13 VAL 29 HG13 VAL 29 3.015 -5.360 11.890 217 HG21 VAL 29 HG21 VAL 29 4.956 -6.761 11.552 218 HG22 VAL 29 HG22 VAL 29 4.908 -6.834 9.785 219 HG23 VAL 29 HG23 VAL 29 6.343 -6.216 10.616 220 H LEU 30 HN LEU 30 3.320 -2.547 8.041 221 HA LEU 30 HA LEU 30 4.513 0.047 8.721 222 HB2 LEU 30 HB2 LEU 30 1.999 -0.686 7.222 223 HB3 LEU 30 HB3 LEU 30 2.671 0.930 7.238 224 HG LEU 30 HG LEU 30 4.149 -1.455 6.062 225 HD11 LEU 30 HD11 LEU 30 3.228 -0.828 3.911 226 HD12 LEU 30 HD12 LEU 30 2.257 0.462 4.644 227 HD13 LEU 30 HD13 LEU 30 1.921 -1.256 5.026 228 HD21 LEU 30 HD21 LEU 30 5.235 0.330 4.690 229 HD22 LEU 30 HD22 LEU 30 5.565 0.502 6.417 230 HD23 LEU 30 HD23 LEU 30 4.369 1.566 5.624 231 H SER 31 HN SER 31 2.456 1.774 9.068 232 HA SER 31 HA SER 31 0.492 0.725 11.022 233 HB2 SER 31 HB2 SER 31 2.108 3.304 11.280 234 HB3 SER 31 HB3 SER 31 0.674 2.918 12.256 235 HG SER 31 HG SER 31 1.796 0.955 12.876 236 H SER 32 HN SER 32 -1.497 2.205 11.124 237 HA SER 32 HA SER 32 -2.348 2.647 8.445 238 HB2 SER 32 HB2 SER 32 -4.462 3.143 9.322 239 HB3 SER 32 HB3 SER 32 -3.769 1.952 10.430 240 HG SER 32 HG SER 32 -4.581 3.512 11.729 241 H SER 33 HN SER 33 -0.855 4.890 10.759 242 HA SER 33 HA SER 33 -1.403 7.371 9.568 243 HB2 SER 33 HB2 SER 33 1.018 7.789 10.407 244 HB3 SER 33 HB3 SER 33 -0.241 7.402 11.583 245 HG SER 33 HG SER 33 1.850 5.703 10.629 246 H ASN 34 HN ASN 34 0.461 4.662 8.410 247 HA ASN 34 HA ASN 34 1.900 6.259 6.379 248 HB2 ASN 34 HB2 ASN 34 2.400 3.481 7.485 249 HB3 ASN 34 HB3 ASN 34 3.398 4.324 6.330 250 HD21 ASN 34 HD21 ASN 34 4.996 5.589 7.101 251 HD22 ASN 34 HD22 ASN 34 5.189 5.948 8.829 252 H VAL 35 HN VAL 35 -1.049 4.884 6.453 253 HA VAL 35 HA VAL 35 -0.750 3.965 3.664 254 HB VAL 35 HB VAL 35 -2.483 2.457 5.654 255 HG11 VAL 35 HG11 VAL 35 -2.726 0.889 3.793 256 HG12 VAL 35 HG12 VAL 35 -3.139 2.504 3.190 257 HG13 VAL 35 HG13 VAL 35 -1.566 1.804 2.801 258 HG21 VAL 35 HG21 VAL 35 0.232 1.687 4.497 259 HG22 VAL 35 HG22 VAL 35 -0.155 1.930 6.205 260 HG23 VAL 35 HG23 VAL 35 -0.871 0.574 5.335 261 H ARG 36 HN ARG 36 -1.555 5.819 2.862 262 HA ARG 36 HA ARG 36 -4.074 6.990 3.832 263 HB2 ARG 36 HB2 ARG 36 -1.936 8.123 2.507 264 HB3 ARG 36 HB3 ARG 36 -2.989 7.793 1.145 265 HG2 ARG 36 HG2 ARG 36 -3.638 9.446 3.607 266 HG3 ARG 36 HG3 ARG 36 -3.374 10.017 1.965 267 HD2 ARG 36 HD2 ARG 36 -5.547 9.877 1.500 268 HD3 ARG 36 HD3 ARG 36 -5.542 8.156 1.815 269 HE ARG 36 HE ARG 36 -6.326 8.484 3.992 270 HH11 ARG 36 HH11 ARG 36 -5.689 11.664 2.500 271 HH12 ARG 36 HH12 ARG 36 -6.891 12.454 3.476 272 HH21 ARG 36 HH21 ARG 36 -7.667 9.699 5.492 273 HH22 ARG 36 HH22 ARG 36 -7.635 11.436 5.381 274 H VAL 37 HN VAL 37 -5.617 5.389 3.586 275 HA VAL 37 HA VAL 37 -6.161 4.448 0.802 276 HB VAL 37 HB VAL 37 -7.560 3.583 3.368 277 HG11 VAL 37 HG11 VAL 37 -7.478 2.289 0.600 278 HG12 VAL 37 HG12 VAL 37 -8.407 1.733 1.999 279 HG13 VAL 37 HG13 VAL 37 -8.834 3.258 1.213 280 HG21 VAL 37 HG21 VAL 37 -5.303 2.825 3.599 281 HG22 VAL 37 HG22 VAL 37 -6.299 1.448 3.136 282 HG23 VAL 37 HG23 VAL 37 -5.262 2.227 1.921 283 H ILE 38 HN ILE 38 -7.191 6.120 -0.217 284 HA ILE 38 HA ILE 38 -9.072 7.917 1.131 285 HB ILE 38 HB ILE 38 -8.524 7.362 -1.807 286 HG12 ILE 38 HG12 ILE 38 -7.458 9.702 -0.166 287 HG13 ILE 38 HG13 ILE 38 -6.510 8.294 -0.640 288 HG21 ILE 38 HG21 ILE 38 -9.994 9.701 -0.495 289 HG22 ILE 38 HG22 ILE 38 -9.716 9.491 -2.231 290 HG23 ILE 38 HG23 ILE 38 -10.769 8.383 -1.396 291 HD11 ILE 38 HD11 ILE 38 -7.039 8.811 -3.061 292 HD12 ILE 38 HD12 ILE 38 -7.708 10.358 -2.503 293 HD13 ILE 38 HD13 ILE 38 -6.002 9.991 -2.217 294 H LYS 39 HN LYS 39 -11.292 7.576 1.116 295 HA LYS 39 HA LYS 39 -12.352 5.198 -0.293 296 HB2 LYS 39 HB2 LYS 39 -13.323 5.924 2.469 297 HB3 LYS 39 HB3 LYS 39 -13.642 4.471 1.537 298 HG2 LYS 39 HG2 LYS 39 -12.167 3.569 2.970 299 HG3 LYS 39 HG3 LYS 39 -10.957 4.159 1.846 300 HD2 LYS 39 HD2 LYS 39 -10.672 6.194 3.257 301 HD3 LYS 39 HD3 LYS 39 -11.980 5.681 4.300 302 HE2 LYS 39 HE2 LYS 39 -9.371 4.162 3.944 303 HE3 LYS 39 HE3 LYS 39 -9.745 5.274 5.272 304 HZ1 LYS 39 HZ1 LYS 39 -11.741 3.749 5.644 305 HZ2 LYS 39 HZ2 LYS 39 -10.277 3.160 6.107 306 HZ3 LYS 39 HZ3 LYS 39 -10.991 2.662 4.725 307 H ASP 40 HN ASP 40 -14.588 5.320 -0.760 308 HA ASP 40 HA ASP 40 -15.398 7.860 -1.682 309 HB2 ASP 40 HB2 ASP 40 -15.979 5.445 -2.491 310 HB3 ASP 40 HB3 ASP 40 -17.261 5.518 -1.254 311 H LYS 41 HN LYS 41 -17.618 8.806 -1.147 312 HA LYS 41 HA LYS 41 -17.985 8.999 1.798 313 HB2 LYS 41 HB2 LYS 41 -17.242 10.981 0.251 314 HB3 LYS 41 HB3 LYS 41 -18.919 11.015 -0.282 315 HG2 LYS 41 HG2 LYS 41 -19.669 11.497 1.988 316 HG3 LYS 41 HG3 LYS 41 -18.045 11.182 2.635 317 HD2 LYS 41 HD2 LYS 41 -17.161 13.087 1.284 318 HD3 LYS 41 HD3 LYS 41 -18.811 13.444 0.735 319 HE2 LYS 41 HE2 LYS 41 -19.513 13.841 3.049 320 HE3 LYS 41 HE3 LYS 41 -17.911 13.412 3.660 321 HZ1 LYS 41 HZ1 LYS 41 -18.496 15.846 3.326 322 HZ2 LYS 41 HZ2 LYS 41 -18.258 15.613 1.729 323 HZ3 LYS 41 HZ3 LYS 41 -17.013 15.375 2.758 324 H GLN 42 HN GLN 42 -19.558 8.044 -1.134 325 HA GLN 42 HA GLN 42 -22.219 8.072 0.143 326 HB2 GLN 42 HB2 GLN 42 -21.098 8.739 -2.474 327 HB3 GLN 42 HB3 GLN 42 -22.403 7.582 -2.622 328 HG2 GLN 42 HG2 GLN 42 -23.027 9.993 -2.808 329 HG3 GLN 42 HG3 GLN 42 -23.973 9.024 -1.674 330 HE21 GLN 42 HE21 GLN 42 -24.742 10.731 -0.334 331 HE22 GLN 42 HE22 GLN 42 -23.638 11.723 0.587 332 H THR 43 HN THR 43 -19.918 6.083 -1.822 333 HA THR 43 HA THR 43 -21.615 3.702 -1.334 334 HB THR 43 HB THR 43 -20.025 2.573 -2.839 335 HG1 THR 43 HG1 THR 43 -18.579 4.017 -3.977 336 HG21 THR 43 HG21 THR 43 -21.992 3.709 -3.805 337 HG22 THR 43 HG22 THR 43 -20.599 3.829 -4.881 338 HG23 THR 43 HG23 THR 43 -21.084 5.234 -3.928 339 H GLN 44 HN GLN 44 -18.900 5.255 0.069 340 HA GLN 44 HA GLN 44 -17.443 4.730 1.725 341 HB2 GLN 44 HB2 GLN 44 -19.624 2.775 2.525 342 HB3 GLN 44 HB3 GLN 44 -18.312 3.286 3.563 343 HG2 GLN 44 HG2 GLN 44 -20.359 5.197 2.400 344 HG3 GLN 44 HG3 GLN 44 -20.512 4.422 3.976 345 HE21 GLN 44 HE21 GLN 44 -20.080 7.407 3.063 346 HE22 GLN 44 HE22 GLN 44 -18.758 7.903 4.067 347 H LEU 45 HN LEU 45 -16.738 3.643 -0.679 348 HA LEU 45 HA LEU 45 -15.425 1.055 0.053 349 HB2 LEU 45 HB2 LEU 45 -15.958 2.025 -2.775 350 HB3 LEU 45 HB3 LEU 45 -15.439 0.431 -2.238 351 HG LEU 45 HG LEU 45 -18.195 1.663 -1.855 352 HD11 LEU 45 HD11 LEU 45 -17.632 1.158 -4.167 353 HD12 LEU 45 HD12 LEU 45 -18.910 0.069 -3.539 354 HD13 LEU 45 HD13 LEU 45 -17.253 -0.527 -3.712 355 HD21 LEU 45 HD21 LEU 45 -17.803 0.108 -0.043 356 HD22 LEU 45 HD22 LEU 45 -17.137 -1.093 -1.155 357 HD23 LEU 45 HD23 LEU 45 -18.853 -0.665 -1.234 358 H ASN 46 HN ASN 46 -13.248 0.912 -0.744 359 HA ASN 46 HA ASN 46 -11.774 3.314 -0.729 360 HB2 ASN 46 HB2 ASN 46 -10.502 0.889 -1.965 361 HB3 ASN 46 HB3 ASN 46 -9.850 2.160 -0.946 362 HD21 ASN 46 HD21 ASN 46 -10.887 -1.173 -0.803 363 HD22 ASN 46 HD22 ASN 46 -11.088 -1.010 0.923 364 H ARG 47 HN ARG 47 -10.256 4.111 -2.371 365 HA ARG 47 HA ARG 47 -11.372 4.264 -5.092 366 HB2 ARG 47 HB2 ARG 47 -8.771 5.390 -4.028 367 HB3 ARG 47 HB3 ARG 47 -9.454 5.721 -5.607 368 HG2 ARG 47 HG2 ARG 47 -11.099 6.376 -3.127 369 HG3 ARG 47 HG3 ARG 47 -9.737 7.382 -3.611 370 HD2 ARG 47 HD2 ARG 47 -11.983 8.201 -4.290 371 HD3 ARG 47 HD3 ARG 47 -10.700 8.182 -5.501 372 HE ARG 47 HE ARG 47 -12.454 5.826 -5.549 373 HH11 ARG 47 HH11 ARG 47 -12.305 9.229 -6.719 374 HH12 ARG 47 HH12 ARG 47 -13.120 8.837 -8.183 375 HH21 ARG 47 HH21 ARG 47 -13.594 5.427 -7.404 376 HH22 ARG 47 HH22 ARG 47 -13.827 6.668 -8.627 377 H GLY 48 HN GLY 48 -9.324 1.967 -3.453 378 HA2 GLY 48 HA1 GLY 48 -8.885 -0.047 -4.405 379 HA3 GLY 48 HA2 GLY 48 -9.112 0.612 -6.010 380 H PHE 49 HN PHE 49 -7.086 2.830 -4.984 381 HA PHE 49 HA PHE 49 -4.627 1.216 -4.755 382 HB2 PHE 49 HB2 PHE 49 -3.375 3.049 -5.896 383 HB3 PHE 49 HB3 PHE 49 -4.419 2.116 -6.947 384 HD1 PHE 49 HD1 PHE 49 -3.450 5.382 -5.901 385 HD2 PHE 49 HD2 PHE 49 -6.771 3.154 -7.533 386 HE1 PHE 49 HE1 PHE 49 -4.523 7.507 -6.651 387 HE2 PHE 49 HE2 PHE 49 -7.860 5.253 -8.225 388 HZ PHE 49 HZ PHE 49 -6.765 7.433 -7.732 389 H ALA 50 HN ALA 50 -2.982 2.467 -3.433 390 HA ALA 50 HA ALA 50 -4.141 4.450 -1.574 391 HB1 ALA 50 HB1 ALA 50 -4.725 2.290 -0.520 392 HB2 ALA 50 HB2 ALA 50 -3.031 1.749 -0.675 393 HB3 ALA 50 HB3 ALA 50 -3.437 3.099 0.395 394 H PHE 51 HN PHE 51 -2.388 5.394 -0.188 395 HA PHE 51 HA PHE 51 0.228 5.385 -1.590 396 HB2 PHE 51 HB2 PHE 51 -1.114 7.513 0.124 397 HB3 PHE 51 HB3 PHE 51 0.425 7.676 -0.647 398 HD1 PHE 51 HD1 PHE 51 -0.020 6.764 -3.411 399 HD2 PHE 51 HD2 PHE 51 -2.563 9.099 -0.829 400 HE1 PHE 51 HE1 PHE 51 -1.113 7.790 -5.393 401 HE2 PHE 51 HE2 PHE 51 -3.636 10.118 -2.812 402 HZ PHE 51 HZ PHE 51 -2.907 9.451 -5.096 403 H ILE 52 HN ILE 52 1.940 5.364 -0.289 404 HA ILE 52 HA ILE 52 1.665 4.959 2.614 405 HB ILE 52 HB ILE 52 3.467 3.517 0.702 406 HG12 ILE 52 HG12 ILE 52 1.135 2.402 2.302 407 HG13 ILE 52 HG13 ILE 52 1.164 2.654 0.550 408 HG21 ILE 52 HG21 ILE 52 4.445 2.223 2.452 409 HG22 ILE 52 HG22 ILE 52 4.532 3.892 2.981 410 HG23 ILE 52 HG23 ILE 52 3.284 2.816 3.649 411 HD11 ILE 52 HD11 ILE 52 2.877 0.651 2.057 412 HD12 ILE 52 HD12 ILE 52 1.454 0.307 1.087 413 HD13 ILE 52 HD13 ILE 52 2.915 0.944 0.302 414 H GLN 53 HN GLN 53 2.997 6.171 3.795 415 HA GLN 53 HA GLN 53 5.140 7.768 2.458 416 HB2 GLN 53 HB2 GLN 53 3.240 8.484 4.727 417 HB3 GLN 53 HB3 GLN 53 4.880 9.128 4.679 418 HG2 GLN 53 HG2 GLN 53 3.422 10.757 3.726 419 HG3 GLN 53 HG3 GLN 53 4.523 10.143 2.491 420 HE21 GLN 53 HE21 GLN 53 3.665 8.854 0.778 421 HE22 GLN 53 HE22 GLN 53 1.960 8.607 0.526 422 H LEU 54 HN LEU 54 7.095 7.179 3.074 423 HA LEU 54 HA LEU 54 7.615 6.028 5.720 424 HB2 LEU 54 HB2 LEU 54 8.116 4.714 3.042 425 HB3 LEU 54 HB3 LEU 54 9.312 4.506 4.304 426 HG LEU 54 HG LEU 54 6.388 3.694 4.513 427 HD11 LEU 54 HD11 LEU 54 7.316 1.390 4.403 428 HD12 LEU 54 HD12 LEU 54 8.932 2.055 4.137 429 HD13 LEU 54 HD13 LEU 54 7.654 2.309 2.935 430 HD21 LEU 54 HD21 LEU 54 7.225 2.437 6.554 431 HD22 LEU 54 HD22 LEU 54 7.147 4.189 6.754 432 HD23 LEU 54 HD23 LEU 54 8.711 3.392 6.454 433 H SER 55 HN SER 55 10.148 6.081 6.005 434 HA SER 55 HA SER 55 11.100 8.699 5.163 435 HB2 SER 55 HB2 SER 55 11.864 7.515 7.274 436 HB3 SER 55 HB3 SER 55 12.718 6.351 6.238 437 HG SER 55 HG SER 55 13.132 9.163 6.483 438 H THR 56 HN THR 56 13.013 8.976 3.816 439 HA THR 56 HA THR 56 13.070 8.016 1.304 440 HB THR 56 HB THR 56 15.502 8.809 2.931 441 HG1 THR 56 HG1 THR 56 14.806 10.874 2.966 442 HG21 THR 56 HG21 THR 56 14.711 9.673 0.124 443 HG22 THR 56 HG22 THR 56 15.866 8.381 0.487 444 HG23 THR 56 HG23 THR 56 16.225 10.046 0.977 445 H ILE 57 HN ILE 57 14.974 6.761 4.056 446 HA ILE 57 HA ILE 57 16.274 4.710 2.527 447 HB ILE 57 HB ILE 57 15.857 4.851 5.546 448 HG12 ILE 57 HG12 ILE 57 18.164 5.901 3.809 449 HG13 ILE 57 HG13 ILE 57 16.955 6.905 4.621 450 HG21 ILE 57 HG21 ILE 57 16.538 2.643 4.703 451 HG22 ILE 57 HG22 ILE 57 17.885 3.366 3.797 452 HG23 ILE 57 HG23 ILE 57 17.862 3.367 5.578 453 HD11 ILE 57 HD11 ILE 57 19.070 5.212 5.932 454 HD12 ILE 57 HD12 ILE 57 18.884 6.963 5.978 455 HD13 ILE 57 HD13 ILE 57 17.702 5.949 6.809 456 H GLU 58 HN GLU 58 13.540 4.714 4.845 457 HA GLU 58 HA GLU 58 13.187 1.953 4.983 458 HB2 GLU 58 HB2 GLU 58 11.192 4.222 5.348 459 HB3 GLU 58 HB3 GLU 58 10.865 2.532 5.776 460 HG2 GLU 58 HG2 GLU 58 12.822 2.615 7.310 461 HG3 GLU 58 HG3 GLU 58 13.019 4.327 6.956 462 H ALA 59 HN ALA 59 11.572 4.340 2.934 463 HA ALA 59 HA ALA 59 9.695 2.637 1.641 464 HB1 ALA 59 HB1 ALA 59 11.107 5.113 0.545 465 HB2 ALA 59 HB2 ALA 59 9.590 4.442 -0.062 466 HB3 ALA 59 HB3 ALA 59 9.655 5.167 1.552 467 H ALA 60 HN ALA 60 12.896 3.858 0.541 468 HA ALA 60 HA ALA 60 13.075 2.395 -1.828 469 HB1 ALA 60 HB1 ALA 60 15.486 2.803 -1.666 470 HB2 ALA 60 HB2 ALA 60 14.576 4.262 -1.220 471 HB3 ALA 60 HB3 ALA 60 15.327 3.264 0.045 472 H GLN 61 HN GLN 61 14.530 1.524 1.365 473 HA GLN 61 HA GLN 61 15.601 -0.941 0.464 474 HB2 GLN 61 HB2 GLN 61 14.884 0.032 3.259 475 HB3 GLN 61 HB3 GLN 61 15.717 -1.500 2.929 476 HG2 GLN 61 HG2 GLN 61 17.478 -0.274 1.679 477 HG3 GLN 61 HG3 GLN 61 16.724 1.266 2.114 478 HE21 GLN 61 HE21 GLN 61 16.154 -0.045 4.977 479 HE22 GLN 61 HE22 GLN 61 17.721 0.098 5.721 480 H LEU 62 HN LEU 62 12.427 -0.330 2.126 481 HA LEU 62 HA LEU 62 11.650 -3.058 2.190 482 HB2 LEU 62 HB2 LEU 62 10.529 -1.260 3.414 483 HB3 LEU 62 HB3 LEU 62 9.971 -0.531 1.918 484 HG LEU 62 HG LEU 62 8.322 -1.824 3.252 485 HD11 LEU 62 HD11 LEU 62 7.907 -1.284 0.900 486 HD12 LEU 62 HD12 LEU 62 7.087 -2.760 1.454 487 HD13 LEU 62 HD13 LEU 62 8.513 -2.872 0.427 488 HD21 LEU 62 HD21 LEU 62 9.757 -3.758 3.871 489 HD22 LEU 62 HD22 LEU 62 9.676 -4.335 2.194 490 HD23 LEU 62 HD23 LEU 62 8.199 -4.241 3.168 491 H LEU 63 HN LEU 63 11.226 -0.553 -0.350 492 HA LEU 63 HA LEU 63 9.670 -2.198 -2.069 493 HB2 LEU 63 HB2 LEU 63 9.866 0.310 -2.170 494 HB3 LEU 63 HB3 LEU 63 11.518 0.132 -2.732 495 HG LEU 63 HG LEU 63 10.102 -1.465 -4.547 496 HD11 LEU 63 HD11 LEU 63 7.975 -0.689 -3.609 497 HD12 LEU 63 HD12 LEU 63 8.169 -0.175 -5.298 498 HD13 LEU 63 HD13 LEU 63 8.413 0.985 -3.975 499 HD21 LEU 63 HD21 LEU 63 11.919 0.036 -5.113 500 HD22 LEU 63 HD22 LEU 63 10.928 1.439 -4.731 501 HD23 LEU 63 HD23 LEU 63 10.519 0.407 -6.128 502 H GLN 64 HN GLN 64 13.210 -1.773 -1.651 503 HA GLN 64 HA GLN 64 13.936 -3.277 -3.957 504 HB2 GLN 64 HB2 GLN 64 15.484 -3.080 -1.341 505 HB3 GLN 64 HB3 GLN 64 16.126 -3.700 -2.852 506 HG2 GLN 64 HG2 GLN 64 15.365 -0.807 -2.334 507 HG3 GLN 64 HG3 GLN 64 16.954 -1.493 -2.234 508 HE21 GLN 64 HE21 GLN 64 14.266 -1.480 -4.759 509 HE22 GLN 64 HE22 GLN 64 15.379 -1.109 -6.022 510 H ILE 65 HN ILE 65 13.597 -4.234 -0.530 511 HA ILE 65 HA ILE 65 14.034 -6.969 -0.730 512 HB ILE 65 HB ILE 65 12.088 -5.519 1.069 513 HG12 ILE 65 HG12 ILE 65 14.865 -6.482 1.783 514 HG13 ILE 65 HG13 ILE 65 14.591 -4.876 1.169 515 HG21 ILE 65 HG21 ILE 65 13.232 -8.282 1.548 516 HG22 ILE 65 HG22 ILE 65 12.135 -7.382 2.608 517 HG23 ILE 65 HG23 ILE 65 11.564 -7.932 1.045 518 HD11 ILE 65 HD11 ILE 65 12.969 -4.509 3.113 519 HD12 ILE 65 HD12 ILE 65 13.588 -6.038 3.778 520 HD13 ILE 65 HD13 ILE 65 14.685 -4.674 3.511 521 H LEU 66 HN LEU 66 10.854 -5.336 -1.096 522 HA LEU 66 HA LEU 66 9.504 -7.763 -1.707 523 HB2 LEU 66 HB2 LEU 66 8.755 -4.850 -2.225 524 HB3 LEU 66 HB3 LEU 66 7.672 -6.208 -2.505 525 HG LEU 66 HG LEU 66 8.765 -5.265 0.173 526 HD11 LEU 66 HD11 LEU 66 6.363 -4.980 0.665 527 HD12 LEU 66 HD12 LEU 66 5.963 -5.572 -0.978 528 HD13 LEU 66 HD13 LEU 66 6.866 -4.063 -0.767 529 HD21 LEU 66 HD21 LEU 66 7.248 -7.806 -0.473 530 HD22 LEU 66 HD22 LEU 66 7.264 -7.062 1.140 531 HD23 LEU 66 HD23 LEU 66 8.781 -7.624 0.420 532 H GLN 67 HN GLN 67 11.485 -6.032 -3.881 533 HA GLN 67 HA GLN 67 9.967 -7.233 -6.192 534 HB2 GLN 67 HB2 GLN 67 12.137 -5.109 -6.161 535 HB3 GLN 67 HB3 GLN 67 11.387 -5.794 -7.609 536 HG2 GLN 67 HG2 GLN 67 9.152 -5.017 -6.810 537 HG3 GLN 67 HG3 GLN 67 9.913 -4.246 -5.438 538 HE21 GLN 67 HE21 GLN 67 8.960 -2.197 -6.266 539 HE22 GLN 67 HE22 GLN 67 9.610 -1.480 -7.714 540 H ALA 68 HN ALA 68 12.044 -8.294 -4.095 541 HA ALA 68 HA ALA 68 13.751 -9.707 -6.081 542 HB1 ALA 68 HB1 ALA 68 14.339 -8.924 -3.209 543 HB2 ALA 68 HB2 ALA 68 15.437 -9.759 -4.322 544 HB3 ALA 68 HB3 ALA 68 14.921 -8.101 -4.672 545 H LEU 69 HN LEU 69 10.996 -10.425 -4.667 546 HA LEU 69 HA LEU 69 11.750 -13.119 -3.794 547 HB2 LEU 69 HB2 LEU 69 10.571 -12.764 -1.605 548 HB3 LEU 69 HB3 LEU 69 12.081 -11.916 -1.823 549 HG LEU 69 HG LEU 69 10.778 -9.833 -2.403 550 HD11 LEU 69 HD11 LEU 69 8.433 -9.720 -1.491 551 HD12 LEU 69 HD12 LEU 69 8.415 -11.488 -1.563 552 HD13 LEU 69 HD13 LEU 69 8.663 -10.505 -3.037 553 HD21 LEU 69 HD21 LEU 69 10.432 -11.104 0.328 554 HD22 LEU 69 HD22 LEU 69 10.211 -9.371 -0.035 555 HD23 LEU 69 HD23 LEU 69 11.787 -10.122 -0.243 556 H HIS 70 HN HIS 70 9.486 -13.990 -2.719 557 HA HIS 70 HA HIS 70 7.830 -14.732 -4.850 558 HB2 HIS 70 HB2 HIS 70 7.652 -14.775 -1.826 559 HB3 HIS 70 HB3 HIS 70 6.224 -15.196 -2.750 560 HD1 HIS 70 HD1 HIS 70 6.374 -17.702 -1.794 561 HD2 HIS 70 HD2 HIS 70 9.585 -16.404 -4.195 562 HE1 HIS 70 HE1 HIS 70 7.578 -19.791 -2.577 563 HA PRO 71 HA PRO 71 5.073 -11.466 -5.492 564 HB2 PRO 71 HB2 PRO 71 2.642 -12.623 -6.021 565 HB3 PRO 71 HB3 PRO 71 4.036 -12.740 -7.127 566 HG2 PRO 71 HG2 PRO 71 3.198 -14.735 -5.001 567 HG3 PRO 71 HG3 PRO 71 3.536 -15.056 -6.739 568 HD2 PRO 71 HD2 PRO 71 5.442 -15.471 -4.900 569 HD3 PRO 71 HD3 PRO 71 5.865 -14.631 -6.430 570 HA PRO 72 HA PRO 72 2.994 -10.220 -1.865 571 HB2 PRO 72 HB2 PRO 72 0.817 -8.742 -2.808 572 HB3 PRO 72 HB3 PRO 72 2.512 -8.177 -2.712 573 HG2 PRO 72 HG2 PRO 72 1.009 -9.375 -5.058 574 HG3 PRO 72 HG3 PRO 72 2.090 -7.965 -5.078 575 HD2 PRO 72 HD2 PRO 72 2.949 -10.338 -5.914 576 HD3 PRO 72 HD3 PRO 72 4.022 -9.289 -4.930 577 H LEU 73 HN LEU 73 1.467 -10.786 -0.429 578 HA LEU 73 HA LEU 73 -0.075 -13.167 -0.914 579 HB2 LEU 73 HB2 LEU 73 1.349 -12.345 1.165 580 HB3 LEU 73 HB3 LEU 73 -0.083 -11.442 1.595 581 HG LEU 73 HG LEU 73 0.107 -13.523 2.783 582 HD11 LEU 73 HD11 LEU 73 -2.043 -14.491 2.501 583 HD12 LEU 73 HD12 LEU 73 -2.184 -13.888 0.849 584 HD13 LEU 73 HD13 LEU 73 -2.182 -12.747 2.227 585 HD21 LEU 73 HD21 LEU 73 1.407 -14.756 1.027 586 HD22 LEU 73 HD22 LEU 73 -0.120 -15.072 0.185 587 HD23 LEU 73 HD23 LEU 73 0.152 -15.701 1.826 588 H THR 74 HN THR 74 -2.192 -13.178 -1.376 589 HA THR 74 HA THR 74 -3.601 -10.573 -1.688 590 HB THR 74 HB THR 74 -3.625 -11.802 -3.682 591 HG1 THR 74 HG1 THR 74 -5.657 -12.065 -4.098 592 HG21 THR 74 HG21 THR 74 -3.117 -14.037 -3.032 593 HG22 THR 74 HG22 THR 74 -4.649 -14.014 -3.916 594 HG23 THR 74 HG23 THR 74 -4.670 -14.148 -2.144 595 H ILE 75 HN ILE 75 -5.705 -10.272 -0.867 596 HA ILE 75 HA ILE 75 -6.218 -11.757 1.664 597 HB ILE 75 HB ILE 75 -6.403 -8.755 1.458 598 HG12 ILE 75 HG12 ILE 75 -4.128 -8.868 2.818 599 HG13 ILE 75 HG13 ILE 75 -3.834 -10.316 1.883 600 HG21 ILE 75 HG21 ILE 75 -7.424 -9.867 3.450 601 HG22 ILE 75 HG22 ILE 75 -5.886 -10.661 3.795 602 HG23 ILE 75 HG23 ILE 75 -6.055 -8.891 3.919 603 HD11 ILE 75 HD11 ILE 75 -4.413 -7.497 0.840 604 HD12 ILE 75 HD12 ILE 75 -2.819 -8.231 1.030 605 HD13 ILE 75 HD13 ILE 75 -3.960 -8.883 -0.174 606 H ASP 76 HN ASP 76 -7.554 -11.616 -1.069 607 HA ASP 76 HA ASP 76 -10.240 -12.022 -0.494 608 HB2 ASP 76 HB2 ASP 76 -9.678 -9.223 -0.296 609 HB3 ASP 76 HB3 ASP 76 -10.618 -9.402 -1.743 610 H GLY 77 HN GLY 77 -7.988 -12.872 -2.281 611 HA2 GLY 77 HA1 GLY 77 -7.618 -13.477 -4.438 612 HA3 GLY 77 HA2 GLY 77 -9.348 -13.245 -4.715 613 H LYS 78 HN LYS 78 -7.383 -10.517 -3.622 614 HA LYS 78 HA LYS 78 -7.284 -9.324 -6.329 615 HB2 LYS 78 HB2 LYS 78 -7.098 -7.193 -4.815 616 HB3 LYS 78 HB3 LYS 78 -8.613 -7.830 -5.344 617 HG2 LYS 78 HG2 LYS 78 -8.746 -7.128 -3.126 618 HG3 LYS 78 HG3 LYS 78 -9.072 -8.830 -3.225 619 HD2 LYS 78 HD2 LYS 78 -7.822 -8.730 -1.268 620 HD3 LYS 78 HD3 LYS 78 -6.582 -9.052 -2.445 621 HE2 LYS 78 HE2 LYS 78 -5.609 -7.328 -1.277 622 HE3 LYS 78 HE3 LYS 78 -6.419 -6.398 -2.544 623 HZ1 LYS 78 HZ1 LYS 78 -7.297 -6.794 0.297 624 HZ2 LYS 78 HZ2 LYS 78 -8.304 -6.213 -0.811 625 HZ3 LYS 78 HZ3 LYS 78 -6.928 -5.384 -0.444 626 H THR 79 HN THR 79 -5.168 -10.218 -6.847 627 HA THR 79 HA THR 79 -3.112 -10.140 -4.898 628 HB THR 79 HB THR 79 -2.413 -9.933 -7.804 629 HG1 THR 79 HG1 THR 79 -3.320 -11.679 -8.344 630 HG21 THR 79 HG21 THR 79 -1.500 -11.754 -5.523 631 HG22 THR 79 HG22 THR 79 -0.731 -10.218 -5.971 632 HG23 THR 79 HG23 THR 79 -0.723 -11.566 -7.121 633 H ILE 80 HN ILE 80 -1.992 -8.364 -4.133 634 HA ILE 80 HA ILE 80 -2.697 -5.728 -5.012 635 HB ILE 80 HB ILE 80 -0.340 -6.581 -3.275 636 HG12 ILE 80 HG12 ILE 80 -2.308 -7.549 -2.242 637 HG13 ILE 80 HG13 ILE 80 -1.768 -6.171 -1.314 638 HG21 ILE 80 HG21 ILE 80 -0.119 -4.225 -3.792 639 HG22 ILE 80 HG22 ILE 80 -1.828 -3.919 -3.478 640 HG23 ILE 80 HG23 ILE 80 -0.714 -4.348 -2.155 641 HD11 ILE 80 HD11 ILE 80 -3.568 -4.789 -2.518 642 HD12 ILE 80 HD12 ILE 80 -4.187 -6.327 -3.131 643 HD13 ILE 80 HD13 ILE 80 -4.109 -6.016 -1.374 644 H ASN 81 HN ASN 81 -0.977 -4.102 -5.724 645 HA ASN 81 HA ASN 81 1.273 -5.177 -7.229 646 HB2 ASN 81 HB2 ASN 81 -1.085 -3.870 -8.502 647 HB3 ASN 81 HB3 ASN 81 0.437 -3.029 -8.782 648 HD21 ASN 81 HD21 ASN 81 -0.551 -6.489 -8.587 649 HD22 ASN 81 HD22 ASN 81 0.147 -6.848 -10.176 650 H VAL 82 HN VAL 82 2.875 -3.370 -7.568 651 HA VAL 82 HA VAL 82 2.637 -1.357 -5.394 652 HB VAL 82 HB VAL 82 5.187 -2.708 -6.364 653 HG11 VAL 82 HG11 VAL 82 4.525 -1.180 -3.817 654 HG12 VAL 82 HG12 VAL 82 6.109 -1.910 -4.247 655 HG13 VAL 82 HG13 VAL 82 5.483 -0.555 -5.177 656 HG21 VAL 82 HG21 VAL 82 5.181 -4.048 -4.264 657 HG22 VAL 82 HG22 VAL 82 3.494 -3.551 -4.001 658 HG23 VAL 82 HG23 VAL 82 3.955 -4.529 -5.428 659 H GLU 83 HN GLU 83 3.321 0.720 -5.958 660 HA GLU 83 HA GLU 83 5.142 0.930 -8.266 661 HB2 GLU 83 HB2 GLU 83 2.791 2.749 -7.630 662 HB3 GLU 83 HB3 GLU 83 4.214 3.414 -8.403 663 HG2 GLU 83 HG2 GLU 83 3.923 2.177 -10.362 664 HG3 GLU 83 HG3 GLU 83 2.848 1.021 -9.583 665 H PHE 84 HN PHE 84 6.550 2.493 -8.057 666 HA PHE 84 HA PHE 84 7.008 3.695 -5.348 667 HB2 PHE 84 HB2 PHE 84 8.698 1.979 -6.089 668 HB3 PHE 84 HB3 PHE 84 9.104 2.985 -7.449 669 HD1 PHE 84 HD1 PHE 84 8.524 3.922 -3.792 670 HD2 PHE 84 HD2 PHE 84 11.352 3.553 -7.048 671 HE1 PHE 84 HE1 PHE 84 10.331 4.828 -2.358 672 HE2 PHE 84 HE2 PHE 84 13.138 4.404 -5.580 673 HZ PHE 84 HZ PHE 84 12.620 5.047 -3.218 674 H ALA 85 HN ALA 85 5.912 5.595 -5.707 675 HA ALA 85 HA ALA 85 6.514 7.220 -8.141 676 HB1 ALA 85 HB1 ALA 85 4.769 8.731 -7.295 677 HB2 ALA 85 HB2 ALA 85 4.135 7.098 -7.589 678 HB3 ALA 85 HB3 ALA 85 4.480 7.643 -5.927 679 H LYS 86 HN LYS 86 8.744 7.078 -7.257 680 HA LYS 86 HA LYS 86 9.312 8.718 -4.875 681 HB2 LYS 86 HB2 LYS 86 10.553 6.711 -5.179 682 HB3 LYS 86 HB3 LYS 86 11.009 7.117 -6.830 683 HG2 LYS 86 HG2 LYS 86 12.789 7.317 -5.075 684 HG3 LYS 86 HG3 LYS 86 12.576 8.702 -6.135 685 HD2 LYS 86 HD2 LYS 86 11.568 10.029 -4.368 686 HD3 LYS 86 HD3 LYS 86 11.344 8.598 -3.378 687 HE2 LYS 86 HE2 LYS 86 13.255 9.885 -2.561 688 HE3 LYS 86 HE3 LYS 86 13.755 8.289 -3.102 689 HZ1 LYS 86 HZ1 LYS 86 14.521 9.372 -5.191 690 HZ2 LYS 86 HZ2 LYS 86 15.247 10.094 -3.887 691 HZ3 LYS 86 HZ3 LYS 86 13.998 10.817 -4.618 692 H GLY 87 HN GLY 87 8.154 10.561 -5.782 693 HA2 GLY 87 HA1 GLY 87 8.905 12.025 -8.089 694 HA3 GLY 87 HA2 GLY 87 8.248 12.712 -6.580 695 H SER 88 HN SER 88 10.819 12.962 -8.578 696 HA SER 88 HA SER 88 12.800 13.658 -6.513 697 HB2 SER 88 HB2 SER 88 13.400 11.994 -9.001 698 HB3 SER 88 HB3 SER 88 14.548 12.502 -7.754 699 HG SER 88 HG SER 88 12.313 10.746 -7.391 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 2.234 13.662 -0.332 2 HA2 GLY 1 HA1 GLY 1 4.681 12.060 0.153 3 HA3 GLY 1 HA2 GLY 1 3.180 11.454 -0.562 4 H HIS 2 HN HIS 2 6.145 13.215 -1.114 5 HA HIS 2 HA HIS 2 5.725 12.957 -4.052 6 HB2 HIS 2 HB2 HIS 2 7.130 15.296 -2.674 7 HB3 HIS 2 HB3 HIS 2 7.190 14.941 -4.401 8 HD1 HIS 2 HD1 HIS 2 3.928 14.297 -4.562 9 HD2 HIS 2 HD2 HIS 2 5.959 17.679 -3.073 10 HE1 HIS 2 HE1 HIS 2 2.277 16.241 -4.625 11 H MET 3 HN MET 3 8.256 13.761 -1.620 12 HA MET 3 HA MET 3 10.109 11.737 -2.546 13 HB2 MET 3 HB2 MET 3 9.688 13.022 0.188 14 HB3 MET 3 HB3 MET 3 10.995 11.896 -0.223 15 HG2 MET 3 HG2 MET 3 11.617 13.550 -2.074 16 HG3 MET 3 HG3 MET 3 10.511 14.689 -1.304 17 HE1 MET 3 HE1 MET 3 14.615 13.211 0.179 18 HE2 MET 3 HE2 MET 3 13.331 12.069 -0.282 19 HE3 MET 3 HE3 MET 3 13.997 13.193 -1.486 20 H ASP 4 HN ASP 4 9.848 9.659 -2.329 21 HA ASP 4 HA ASP 4 9.292 7.608 -1.738 22 HB2 ASP 4 HB2 ASP 4 9.925 8.896 0.926 23 HB3 ASP 4 HB3 ASP 4 9.785 7.153 0.566 24 H THR 5 HN THR 5 7.264 7.600 -2.427 25 HA THR 5 HA THR 5 5.406 7.038 -0.184 26 HB THR 5 HB THR 5 4.554 8.408 -2.754 27 HG1 THR 5 HG1 THR 5 5.794 9.551 -0.967 28 HG21 THR 5 HG21 THR 5 2.779 6.990 -1.732 29 HG22 THR 5 HG22 THR 5 2.391 8.726 -1.684 30 HG23 THR 5 HG23 THR 5 2.960 7.904 -0.219 31 H ILE 6 HN ILE 6 5.201 4.844 -0.268 32 HA ILE 6 HA ILE 6 5.485 3.447 -2.873 33 HB ILE 6 HB ILE 6 5.153 2.300 -0.084 34 HG12 ILE 6 HG12 ILE 6 7.653 2.564 -1.770 35 HG13 ILE 6 HG13 ILE 6 7.296 3.465 -0.304 36 HG21 ILE 6 HG21 ILE 6 5.620 0.133 -1.071 37 HG22 ILE 6 HG22 ILE 6 4.274 0.851 -1.953 38 HG23 ILE 6 HG23 ILE 6 5.897 0.880 -2.661 39 HD11 ILE 6 HD11 ILE 6 7.203 1.332 0.985 40 HD12 ILE 6 HD12 ILE 6 7.783 0.484 -0.476 41 HD13 ILE 6 HD13 ILE 6 8.794 1.713 0.289 42 H ILE 7 HN ILE 7 3.648 3.048 -3.978 43 HA ILE 7 HA ILE 7 1.045 3.435 -2.627 44 HB ILE 7 HB ILE 7 1.727 3.732 -5.544 45 HG12 ILE 7 HG12 ILE 7 0.682 6.105 -4.682 46 HG13 ILE 7 HG13 ILE 7 1.570 5.579 -3.268 47 HG21 ILE 7 HG21 ILE 7 -0.550 2.842 -5.381 48 HG22 ILE 7 HG22 ILE 7 -0.984 4.125 -4.229 49 HG23 ILE 7 HG23 ILE 7 -0.548 4.519 -5.902 50 HD11 ILE 7 HD11 ILE 7 2.568 6.086 -6.070 51 HD12 ILE 7 HD12 ILE 7 3.073 6.838 -4.527 52 HD13 ILE 7 HD13 ILE 7 3.552 5.169 -4.909 53 H LEU 8 HN LEU 8 -0.444 1.997 -2.634 54 HA LEU 8 HA LEU 8 0.094 -0.831 -3.451 55 HB2 LEU 8 HB2 LEU 8 -2.065 0.320 -1.622 56 HB3 LEU 8 HB3 LEU 8 -1.984 -1.341 -2.186 57 HG LEU 8 HG LEU 8 0.343 -1.416 -0.977 58 HD11 LEU 8 HD11 LEU 8 -1.049 0.929 0.429 59 HD12 LEU 8 HD12 LEU 8 0.520 0.966 -0.393 60 HD13 LEU 8 HD13 LEU 8 0.307 0.012 1.090 61 HD21 LEU 8 HD21 LEU 8 -0.803 -2.113 1.099 62 HD22 LEU 8 HD22 LEU 8 -1.655 -2.715 -0.322 63 HD23 LEU 8 HD23 LEU 8 -2.301 -1.311 0.560 64 H ARG 9 HN ARG 9 -1.537 -1.769 -4.838 65 HA ARG 9 HA ARG 9 -3.736 -0.092 -5.909 66 HB2 ARG 9 HB2 ARG 9 -1.646 -1.571 -7.509 67 HB3 ARG 9 HB3 ARG 9 -3.056 -0.888 -8.235 68 HG2 ARG 9 HG2 ARG 9 -2.220 1.360 -7.932 69 HG3 ARG 9 HG3 ARG 9 -1.038 0.786 -6.766 70 HD2 ARG 9 HD2 ARG 9 0.449 0.793 -8.346 71 HD3 ARG 9 HD3 ARG 9 -0.237 -0.714 -8.893 72 HE ARG 9 HE ARG 9 -0.220 1.825 -10.216 73 HH11 ARG 9 HH11 ARG 9 -2.153 -1.126 -9.976 74 HH12 ARG 9 HH12 ARG 9 -2.496 -1.184 -11.665 75 HH21 ARG 9 HH21 ARG 9 -0.761 1.795 -12.359 76 HH22 ARG 9 HH22 ARG 9 -1.956 0.713 -13.016 77 H ASN 10 HN ASN 10 -5.033 -1.600 -7.397 78 HA ASN 10 HA ASN 10 -6.435 -3.303 -7.573 79 HB2 ASN 10 HB2 ASN 10 -4.424 -4.420 -8.562 80 HB3 ASN 10 HB3 ASN 10 -4.099 -5.155 -6.972 81 HD21 ASN 10 HD21 ASN 10 -4.804 -7.240 -7.083 82 HD22 ASN 10 HD22 ASN 10 -6.323 -7.802 -7.776 83 H LEU 11 HN LEU 11 -6.771 -2.023 -5.374 84 HA LEU 11 HA LEU 11 -6.982 -3.973 -3.122 85 HB2 LEU 11 HB2 LEU 11 -7.409 -0.969 -3.248 86 HB3 LEU 11 HB3 LEU 11 -7.659 -1.945 -1.826 87 HG LEU 11 HG LEU 11 -4.986 -1.700 -3.272 88 HD11 LEU 11 HD11 LEU 11 -4.280 -0.107 -1.728 89 HD12 LEU 11 HD12 LEU 11 -5.594 -0.443 -0.593 90 HD13 LEU 11 HD13 LEU 11 -5.942 0.401 -2.101 91 HD21 LEU 11 HD21 LEU 11 -5.280 -3.776 -1.854 92 HD22 LEU 11 HD22 LEU 11 -5.541 -2.736 -0.454 93 HD23 LEU 11 HD23 LEU 11 -3.983 -2.702 -1.311 94 H ASN 12 HN ASN 12 -8.900 -4.846 -2.652 95 HA ASN 12 HA ASN 12 -11.212 -4.468 -4.421 96 HB2 ASN 12 HB2 ASN 12 -10.548 -6.249 -2.086 97 HB3 ASN 12 HB3 ASN 12 -12.210 -5.761 -2.190 98 HD21 ASN 12 HD21 ASN 12 -12.262 -8.265 -2.352 99 HD22 ASN 12 HD22 ASN 12 -12.619 -8.691 -4.011 100 HA PRO 13 HA PRO 13 -12.751 -0.949 -2.254 101 HB2 PRO 13 HB2 PRO 13 -15.477 -1.199 -2.655 102 HB3 PRO 13 HB3 PRO 13 -14.356 -0.670 -3.902 103 HG2 PRO 13 HG2 PRO 13 -15.578 -3.378 -3.423 104 HG3 PRO 13 HG3 PRO 13 -15.301 -2.568 -4.976 105 HD2 PRO 13 HD2 PRO 13 -13.682 -4.520 -3.983 106 HD3 PRO 13 HD3 PRO 13 -13.058 -3.208 -5.015 107 H HIS 14 HN HIS 14 -14.275 -4.076 -1.404 108 HA HIS 14 HA HIS 14 -15.674 -3.285 0.898 109 HB2 HIS 14 HB2 HIS 14 -14.237 -5.881 0.194 110 HB3 HIS 14 HB3 HIS 14 -15.172 -5.692 1.654 111 HD1 HIS 14 HD1 HIS 14 -16.161 -7.950 -0.147 112 HD2 HIS 14 HD2 HIS 14 -17.391 -3.915 -0.539 113 HE1 HIS 14 HE1 HIS 14 -18.444 -7.995 -1.224 114 H SER 15 HN SER 15 -12.175 -3.720 0.530 115 HA SER 15 HA SER 15 -11.826 -4.227 3.366 116 HB2 SER 15 HB2 SER 15 -10.369 -4.796 1.094 117 HB3 SER 15 HB3 SER 15 -9.450 -3.462 1.793 118 HG SER 15 HG SER 15 -10.170 -5.952 3.001 119 H THR 16 HN THR 16 -9.920 -2.923 4.385 120 HA THR 16 HA THR 16 -10.484 -0.024 4.289 121 HB THR 16 HB THR 16 -10.356 0.086 6.730 122 HG1 THR 16 HG1 THR 16 -10.935 -2.680 6.780 123 HG21 THR 16 HG21 THR 16 -12.654 -0.643 7.187 124 HG22 THR 16 HG22 THR 16 -12.680 -1.590 5.692 125 HG23 THR 16 HG23 THR 16 -12.538 0.170 5.623 126 H MET 17 HN MET 17 -8.330 -1.658 6.605 127 HA MET 17 HA MET 17 -6.039 -1.775 4.865 128 HB2 MET 17 HB2 MET 17 -6.273 0.649 5.677 129 HB3 MET 17 HB3 MET 17 -6.152 0.026 7.304 130 HG2 MET 17 HG2 MET 17 -4.095 0.702 6.721 131 HG3 MET 17 HG3 MET 17 -3.956 -1.039 6.674 132 HE1 MET 17 HE1 MET 17 -2.022 -1.392 3.492 133 HE2 MET 17 HE2 MET 17 -1.736 -1.028 5.209 134 HE3 MET 17 HE3 MET 17 -2.895 -2.302 4.747 135 H ASP 18 HN ASP 18 -7.536 -1.857 8.110 136 HA ASP 18 HA ASP 18 -5.632 -3.108 9.552 137 HB2 ASP 18 HB2 ASP 18 -7.643 -2.117 10.457 138 HB3 ASP 18 HB3 ASP 18 -8.658 -3.339 9.694 139 H SER 19 HN SER 19 -8.223 -4.739 7.667 140 HA SER 19 HA SER 19 -7.195 -7.410 8.236 141 HB2 SER 19 HB2 SER 19 -9.703 -6.298 7.650 142 HB3 SER 19 HB3 SER 19 -9.278 -7.195 6.192 143 HG SER 19 HG SER 19 -10.298 -8.200 8.285 144 H ILE 20 HN ILE 20 -5.624 -5.347 6.679 145 HA ILE 20 HA ILE 20 -4.703 -7.279 4.619 146 HB ILE 20 HB ILE 20 -4.555 -4.250 4.421 147 HG12 ILE 20 HG12 ILE 20 -6.110 -6.182 2.665 148 HG13 ILE 20 HG13 ILE 20 -6.852 -5.251 3.967 149 HG21 ILE 20 HG21 ILE 20 -3.645 -6.331 2.392 150 HG22 ILE 20 HG22 ILE 20 -3.533 -4.564 2.228 151 HG23 ILE 20 HG23 ILE 20 -2.580 -5.385 3.435 152 HD11 ILE 20 HD11 ILE 20 -6.150 -3.153 2.906 153 HD12 ILE 20 HD12 ILE 20 -5.557 -4.079 1.498 154 HD13 ILE 20 HD13 ILE 20 -7.268 -4.115 1.929 155 H LEU 21 HN LEU 21 -3.836 -4.739 7.061 156 HA LEU 21 HA LEU 21 -1.031 -5.226 6.840 157 HB2 LEU 21 HB2 LEU 21 -2.812 -3.823 8.804 158 HB3 LEU 21 HB3 LEU 21 -1.165 -4.196 9.334 159 HG LEU 21 HG LEU 21 -1.771 -2.753 6.741 160 HD11 LEU 21 HD11 LEU 21 -1.282 -0.641 7.893 161 HD12 LEU 21 HD12 LEU 21 -1.115 -1.507 9.440 162 HD13 LEU 21 HD13 LEU 21 -2.687 -1.439 8.621 163 HD21 LEU 21 HD21 LEU 21 0.543 -2.046 6.782 164 HD22 LEU 21 HD22 LEU 21 0.565 -3.798 7.060 165 HD23 LEU 21 HD23 LEU 21 0.770 -2.697 8.417 166 H GLY 22 HN GLY 22 -3.356 -7.322 8.295 167 HA2 GLY 22 HA1 GLY 22 -1.351 -8.586 10.054 168 HA3 GLY 22 HA2 GLY 22 -3.030 -9.074 9.818 169 H ALA 23 HN ALA 23 -2.304 -8.777 6.702 170 HA ALA 23 HA ALA 23 -0.956 -11.433 6.408 171 HB1 ALA 23 HB1 ALA 23 -2.819 -12.067 4.893 172 HB2 ALA 23 HB2 ALA 23 -3.351 -11.843 6.579 173 HB3 ALA 23 HB3 ALA 23 -3.654 -10.574 5.359 174 H LEU 24 HN LEU 24 -0.754 -8.327 5.454 175 HA LEU 24 HA LEU 24 0.476 -9.198 2.907 176 HB2 LEU 24 HB2 LEU 24 -1.591 -7.626 2.765 177 HB3 LEU 24 HB3 LEU 24 -0.537 -6.409 3.446 178 HG LEU 24 HG LEU 24 1.062 -7.047 1.409 179 HD11 LEU 24 HD11 LEU 24 -0.217 -8.996 0.654 180 HD12 LEU 24 HD12 LEU 24 -0.156 -7.723 -0.582 181 HD13 LEU 24 HD13 LEU 24 -1.636 -7.969 0.367 182 HD21 LEU 24 HD21 LEU 24 0.053 -5.348 0.039 183 HD22 LEU 24 HD22 LEU 24 -0.040 -4.851 1.728 184 HD23 LEU 24 HD23 LEU 24 -1.491 -5.482 0.921 185 H ALA 25 HN ALA 25 1.501 -8.996 5.814 186 HA ALA 25 HA ALA 25 3.576 -6.900 5.453 187 HB1 ALA 25 HB1 ALA 25 3.337 -6.431 7.810 188 HB2 ALA 25 HB2 ALA 25 1.826 -6.131 6.945 189 HB3 ALA 25 HB3 ALA 25 2.014 -7.605 7.928 190 HA PRO 26 HA PRO 26 5.629 -10.901 6.637 191 HB2 PRO 26 HB2 PRO 26 6.800 -11.670 4.265 192 HB3 PRO 26 HB3 PRO 26 5.196 -12.212 4.808 193 HG2 PRO 26 HG2 PRO 26 5.789 -9.994 2.848 194 HG3 PRO 26 HG3 PRO 26 4.586 -11.306 2.726 195 HD2 PRO 26 HD2 PRO 26 3.983 -8.774 3.601 196 HD3 PRO 26 HD3 PRO 26 3.152 -10.239 4.213 197 H TYR 27 HN TYR 27 6.376 -7.908 4.957 198 HA TYR 27 HA TYR 27 9.108 -8.023 6.085 199 HB2 TYR 27 HB2 TYR 27 8.741 -7.063 3.229 200 HB3 TYR 27 HB3 TYR 27 10.213 -7.275 4.141 201 HD1 TYR 27 HD1 TYR 27 11.066 -9.582 4.654 202 HD2 TYR 27 HD2 TYR 27 7.584 -8.916 2.208 203 HE1 TYR 27 HE1 TYR 27 11.170 -11.924 3.869 204 HE2 TYR 27 HE2 TYR 27 7.658 -11.278 1.436 205 HH TYR 27 HH TYR 27 10.410 -13.318 2.078 206 H ALA 28 HN ALA 28 7.075 -5.721 4.138 207 HA ALA 28 HA ALA 28 7.868 -3.553 5.983 208 HB1 ALA 28 HB1 ALA 28 5.919 -3.624 3.628 209 HB2 ALA 28 HB2 ALA 28 6.434 -2.179 4.534 210 HB3 ALA 28 HB3 ALA 28 7.611 -3.082 3.569 211 H VAL 29 HN VAL 29 6.676 -3.077 7.782 212 HA VAL 29 HA VAL 29 3.979 -4.258 8.120 213 HB VAL 29 HB VAL 29 6.141 -4.360 10.255 214 HG11 VAL 29 HG11 VAL 29 3.431 -5.731 9.965 215 HG12 VAL 29 HG12 VAL 29 4.577 -5.986 11.287 216 HG13 VAL 29 HG13 VAL 29 3.826 -4.400 11.067 217 HG21 VAL 29 HG21 VAL 29 6.108 -6.892 9.787 218 HG22 VAL 29 HG22 VAL 29 5.482 -6.470 8.183 219 HG23 VAL 29 HG23 VAL 29 7.054 -5.861 8.733 220 H LEU 30 HN LEU 30 3.220 -2.158 7.650 221 HA LEU 30 HA LEU 30 4.395 0.159 8.889 222 HB2 LEU 30 HB2 LEU 30 1.779 -0.213 7.339 223 HB3 LEU 30 HB3 LEU 30 2.381 1.313 7.900 224 HG LEU 30 HG LEU 30 2.935 1.276 5.668 225 HD11 LEU 30 HD11 LEU 30 5.515 0.399 7.016 226 HD12 LEU 30 HD12 LEU 30 4.841 2.037 7.057 227 HD13 LEU 30 HD13 LEU 30 5.375 1.323 5.524 228 HD21 LEU 30 HD21 LEU 30 2.587 -1.164 5.275 229 HD22 LEU 30 HD22 LEU 30 4.246 -1.457 5.858 230 HD23 LEU 30 HD23 LEU 30 3.967 -0.465 4.418 231 H SER 31 HN SER 31 3.446 1.700 10.320 232 HA SER 31 HA SER 31 1.723 0.570 12.396 233 HB2 SER 31 HB2 SER 31 3.146 3.245 12.136 234 HB3 SER 31 HB3 SER 31 2.250 2.695 13.537 235 HG SER 31 HG SER 31 3.693 0.836 13.549 236 H SER 32 HN SER 32 0.181 0.465 10.384 237 HA SER 32 HA SER 32 -1.808 1.022 9.488 238 HB2 SER 32 HB2 SER 32 -2.237 0.744 11.930 239 HB3 SER 32 HB3 SER 32 -2.149 2.501 12.132 240 HG SER 32 HG SER 32 -4.258 1.773 11.936 241 H SER 33 HN SER 33 -1.327 4.241 11.109 242 HA SER 33 HA SER 33 -2.606 5.454 8.905 243 HB2 SER 33 HB2 SER 33 -2.647 6.309 11.221 244 HB3 SER 33 HB3 SER 33 -0.998 6.945 10.987 245 HG SER 33 HG SER 33 -2.664 8.460 10.526 246 H ASN 34 HN ASN 34 0.882 4.770 9.429 247 HA ASN 34 HA ASN 34 2.050 6.373 7.494 248 HB2 ASN 34 HB2 ASN 34 2.282 3.367 7.726 249 HB3 ASN 34 HB3 ASN 34 3.346 4.342 6.725 250 HD21 ASN 34 HD21 ASN 34 4.948 5.733 7.760 251 HD22 ASN 34 HD22 ASN 34 5.232 5.595 9.486 252 H VAL 35 HN VAL 35 -0.344 3.764 6.963 253 HA VAL 35 HA VAL 35 -0.228 4.227 4.080 254 HB VAL 35 HB VAL 35 -1.922 2.173 5.528 255 HG11 VAL 35 HG11 VAL 35 -1.061 2.735 2.624 256 HG12 VAL 35 HG12 VAL 35 -1.871 1.258 3.118 257 HG13 VAL 35 HG13 VAL 35 -2.709 2.819 3.301 258 HG21 VAL 35 HG21 VAL 35 0.891 1.992 4.390 259 HG22 VAL 35 HG22 VAL 35 0.333 1.549 6.014 260 HG23 VAL 35 HG23 VAL 35 -0.146 0.568 4.625 261 H ARG 36 HN ARG 36 -1.167 6.075 3.621 262 HA ARG 36 HA ARG 36 -3.691 7.040 4.748 263 HB2 ARG 36 HB2 ARG 36 -1.557 8.071 3.072 264 HB3 ARG 36 HB3 ARG 36 -3.046 8.207 2.154 265 HG2 ARG 36 HG2 ARG 36 -2.989 9.095 5.062 266 HG3 ARG 36 HG3 ARG 36 -2.284 10.126 3.841 267 HD2 ARG 36 HD2 ARG 36 -5.084 9.064 3.410 268 HD3 ARG 36 HD3 ARG 36 -4.792 10.421 4.527 269 HE ARG 36 HE ARG 36 -3.450 11.007 2.111 270 HH11 ARG 36 HH11 ARG 36 -6.748 10.770 3.380 271 HH12 ARG 36 HH12 ARG 36 -7.443 11.836 2.207 272 HH21 ARG 36 HH21 ARG 36 -4.273 12.482 0.649 273 HH22 ARG 36 HH22 ARG 36 -5.952 12.970 0.680 274 H VAL 37 HN VAL 37 -5.554 6.017 4.334 275 HA VAL 37 HA VAL 37 -6.085 4.932 1.630 276 HB VAL 37 HB VAL 37 -7.303 4.034 4.280 277 HG11 VAL 37 HG11 VAL 37 -8.108 2.144 2.907 278 HG12 VAL 37 HG12 VAL 37 -8.757 3.687 2.313 279 HG13 VAL 37 HG13 VAL 37 -7.419 2.903 1.455 280 HG21 VAL 37 HG21 VAL 37 -4.973 3.262 4.279 281 HG22 VAL 37 HG22 VAL 37 -6.085 1.921 3.991 282 HG23 VAL 37 HG23 VAL 37 -5.188 2.599 2.632 283 H ILE 38 HN ILE 38 -7.461 6.273 0.566 284 HA ILE 38 HA ILE 38 -9.379 8.008 1.989 285 HB ILE 38 HB ILE 38 -8.715 7.569 -0.959 286 HG12 ILE 38 HG12 ILE 38 -7.824 9.914 0.738 287 HG13 ILE 38 HG13 ILE 38 -6.797 8.515 0.520 288 HG21 ILE 38 HG21 ILE 38 -9.850 9.772 -1.334 289 HG22 ILE 38 HG22 ILE 38 -10.948 8.562 -0.733 290 HG23 ILE 38 HG23 ILE 38 -10.321 9.802 0.377 291 HD11 ILE 38 HD11 ILE 38 -6.844 8.793 -1.918 292 HD12 ILE 38 HD12 ILE 38 -7.753 10.297 -1.721 293 HD13 ILE 38 HD13 ILE 38 -6.112 10.170 -1.059 294 H LYS 39 HN LYS 39 -11.680 7.745 1.661 295 HA LYS 39 HA LYS 39 -12.588 5.434 0.055 296 HB2 LYS 39 HB2 LYS 39 -13.987 6.301 2.596 297 HB3 LYS 39 HB3 LYS 39 -14.340 4.928 1.570 298 HG2 LYS 39 HG2 LYS 39 -13.337 3.911 3.317 299 HG3 LYS 39 HG3 LYS 39 -11.984 4.051 2.209 300 HD2 LYS 39 HD2 LYS 39 -10.821 5.459 3.621 301 HD3 LYS 39 HD3 LYS 39 -12.265 6.356 4.069 302 HE2 LYS 39 HE2 LYS 39 -11.473 3.685 5.264 303 HE3 LYS 39 HE3 LYS 39 -11.259 5.283 6.006 304 HZ1 LYS 39 HZ1 LYS 39 -13.274 4.313 6.840 305 HZ2 LYS 39 HZ2 LYS 39 -13.787 3.922 5.363 306 HZ3 LYS 39 HZ3 LYS 39 -13.727 5.514 5.795 307 H ASP 40 HN ASP 40 -14.699 5.808 -0.947 308 HA ASP 40 HA ASP 40 -14.907 8.569 -1.735 309 HB2 ASP 40 HB2 ASP 40 -15.706 6.282 -2.933 310 HB3 ASP 40 HB3 ASP 40 -17.262 6.869 -2.326 311 H LYS 41 HN LYS 41 -16.996 9.743 -1.844 312 HA LYS 41 HA LYS 41 -18.127 10.068 0.849 313 HB2 LYS 41 HB2 LYS 41 -17.256 11.909 -0.812 314 HB3 LYS 41 HB3 LYS 41 -18.828 11.745 -1.588 315 HG2 LYS 41 HG2 LYS 41 -19.947 12.673 0.256 316 HG3 LYS 41 HG3 LYS 41 -18.696 12.181 1.398 317 HD2 LYS 41 HD2 LYS 41 -18.648 14.570 1.189 318 HD3 LYS 41 HD3 LYS 41 -17.160 13.888 0.522 319 HE2 LYS 41 HE2 LYS 41 -17.944 14.224 -1.755 320 HE3 LYS 41 HE3 LYS 41 -19.541 14.720 -1.177 321 HZ1 LYS 41 HZ1 LYS 41 -17.013 16.232 -0.875 322 HZ2 LYS 41 HZ2 LYS 41 -18.409 16.646 -0.114 323 HZ3 LYS 41 HZ3 LYS 41 -18.322 16.672 -1.734 324 H GLN 42 HN GLN 42 -19.427 9.448 -2.480 325 HA GLN 42 HA GLN 42 -21.990 8.791 -1.415 326 HB2 GLN 42 HB2 GLN 42 -20.675 8.506 -4.023 327 HB3 GLN 42 HB3 GLN 42 -21.872 7.278 -3.737 328 HG2 GLN 42 HG2 GLN 42 -22.437 10.258 -3.537 329 HG3 GLN 42 HG3 GLN 42 -22.792 9.225 -4.926 330 HE21 GLN 42 HE21 GLN 42 -24.407 10.704 -2.538 331 HE22 GLN 42 HE22 GLN 42 -25.637 9.496 -2.192 332 H THR 43 HN THR 43 -19.355 6.629 -2.620 333 HA THR 43 HA THR 43 -21.048 4.368 -1.976 334 HB THR 43 HB THR 43 -19.370 3.057 -3.105 335 HG1 THR 43 HG1 THR 43 -17.424 3.989 -3.771 336 HG21 THR 43 HG21 THR 43 -19.618 5.710 -4.603 337 HG22 THR 43 HG22 THR 43 -20.902 4.492 -4.498 338 HG23 THR 43 HG23 THR 43 -19.375 4.101 -5.291 339 H GLN 44 HN GLN 44 -18.553 6.057 -0.354 340 HA GLN 44 HA GLN 44 -17.435 5.813 1.580 341 HB2 GLN 44 HB2 GLN 44 -19.332 3.664 2.404 342 HB3 GLN 44 HB3 GLN 44 -18.435 4.780 3.418 343 HG2 GLN 44 HG2 GLN 44 -20.678 5.716 1.575 344 HG3 GLN 44 HG3 GLN 44 -20.930 5.100 3.180 345 HE21 GLN 44 HE21 GLN 44 -18.262 7.430 2.114 346 HE22 GLN 44 HE22 GLN 44 -18.830 8.602 3.289 347 H LEU 45 HN LEU 45 -16.954 3.910 -0.825 348 HA LEU 45 HA LEU 45 -15.342 1.799 0.541 349 HB2 LEU 45 HB2 LEU 45 -16.284 2.099 -2.325 350 HB3 LEU 45 HB3 LEU 45 -15.305 0.775 -1.728 351 HG LEU 45 HG LEU 45 -18.024 1.345 -0.568 352 HD11 LEU 45 HD11 LEU 45 -17.497 -0.355 -3.016 353 HD12 LEU 45 HD12 LEU 45 -18.247 1.238 -2.997 354 HD13 LEU 45 HD13 LEU 45 -19.055 -0.115 -2.196 355 HD21 LEU 45 HD21 LEU 45 -16.469 -0.269 0.606 356 HD22 LEU 45 HD22 LEU 45 -16.636 -1.336 -0.803 357 HD23 LEU 45 HD23 LEU 45 -18.048 -0.912 0.161 358 H ASN 46 HN ASN 46 -13.288 1.471 -0.293 359 HA ASN 46 HA ASN 46 -11.746 3.773 -0.766 360 HB2 ASN 46 HB2 ASN 46 -9.844 2.420 -0.772 361 HB3 ASN 46 HB3 ASN 46 -11.030 1.709 0.330 362 HD21 ASN 46 HD21 ASN 46 -10.396 -0.411 0.372 363 HD22 ASN 46 HD22 ASN 46 -10.542 -1.465 -0.976 364 H ARG 47 HN ARG 47 -10.054 3.897 -2.424 365 HA ARG 47 HA ARG 47 -11.376 4.395 -5.014 366 HB2 ARG 47 HB2 ARG 47 -8.569 5.152 -4.112 367 HB3 ARG 47 HB3 ARG 47 -9.401 5.732 -5.550 368 HG2 ARG 47 HG2 ARG 47 -10.926 6.324 -3.078 369 HG3 ARG 47 HG3 ARG 47 -9.291 6.978 -3.049 370 HD2 ARG 47 HD2 ARG 47 -11.303 7.503 -5.263 371 HD3 ARG 47 HD3 ARG 47 -10.981 8.568 -3.882 372 HE ARG 47 HE ARG 47 -8.515 8.328 -4.974 373 HH11 ARG 47 HH11 ARG 47 -11.675 9.514 -6.248 374 HH12 ARG 47 HH12 ARG 47 -10.876 10.596 -7.353 375 HH21 ARG 47 HH21 ARG 47 -7.598 9.782 -6.495 376 HH22 ARG 47 HH22 ARG 47 -8.632 10.762 -7.467 377 H GLY 48 HN GLY 48 -9.685 1.792 -3.772 378 HA2 GLY 48 HA1 GLY 48 -8.912 -0.060 -4.757 379 HA3 GLY 48 HA2 GLY 48 -8.880 0.740 -6.320 380 H PHE 49 HN PHE 49 -7.239 2.524 -3.860 381 HA PHE 49 HA PHE 49 -4.679 1.188 -4.043 382 HB2 PHE 49 HB2 PHE 49 -3.535 3.291 -4.892 383 HB3 PHE 49 HB3 PHE 49 -4.460 2.397 -6.082 384 HD1 PHE 49 HD1 PHE 49 -4.278 5.521 -4.087 385 HD2 PHE 49 HD2 PHE 49 -6.526 3.286 -7.021 386 HE1 PHE 49 HE1 PHE 49 -5.560 7.572 -4.689 387 HE2 PHE 49 HE2 PHE 49 -7.769 5.336 -7.615 388 HZ PHE 49 HZ PHE 49 -7.272 7.465 -6.502 389 H ALA 50 HN ALA 50 -3.051 2.432 -2.690 390 HA ALA 50 HA ALA 50 -4.083 4.356 -0.745 391 HB1 ALA 50 HB1 ALA 50 -3.474 2.929 1.189 392 HB2 ALA 50 HB2 ALA 50 -4.824 2.242 0.272 393 HB3 ALA 50 HB3 ALA 50 -3.200 1.556 0.102 394 H PHE 51 HN PHE 51 -2.228 4.954 0.801 395 HA PHE 51 HA PHE 51 0.302 5.107 -0.805 396 HB2 PHE 51 HB2 PHE 51 -1.154 7.259 0.791 397 HB3 PHE 51 HB3 PHE 51 0.326 7.480 -0.085 398 HD1 PHE 51 HD1 PHE 51 0.285 7.358 -2.631 399 HD2 PHE 51 HD2 PHE 51 -3.289 7.447 -0.221 400 HE1 PHE 51 HE1 PHE 51 -1.013 8.132 -4.584 401 HE2 PHE 51 HE2 PHE 51 -4.572 8.284 -2.144 402 HZ PHE 51 HZ PHE 51 -3.442 8.632 -4.358 403 H ILE 52 HN ILE 52 1.835 3.996 0.447 404 HA ILE 52 HA ILE 52 1.938 4.178 3.365 405 HB ILE 52 HB ILE 52 3.859 3.154 1.298 406 HG12 ILE 52 HG12 ILE 52 2.472 1.161 3.029 407 HG13 ILE 52 HG13 ILE 52 1.452 1.935 1.830 408 HG21 ILE 52 HG21 ILE 52 3.946 2.865 4.302 409 HG22 ILE 52 HG22 ILE 52 4.850 1.794 3.209 410 HG23 ILE 52 HG23 ILE 52 5.186 3.526 3.214 411 HD11 ILE 52 HD11 ILE 52 2.574 -0.204 1.068 412 HD12 ILE 52 HD12 ILE 52 2.864 1.198 0.020 413 HD13 ILE 52 HD13 ILE 52 4.118 0.651 1.143 414 H GLN 53 HN GLN 53 3.315 5.560 4.499 415 HA GLN 53 HA GLN 53 5.237 7.309 3.029 416 HB2 GLN 53 HB2 GLN 53 3.440 7.885 5.440 417 HB3 GLN 53 HB3 GLN 53 4.912 8.776 5.094 418 HG2 GLN 53 HG2 GLN 53 3.280 10.149 4.228 419 HG3 GLN 53 HG3 GLN 53 3.933 9.346 2.805 420 HE21 GLN 53 HE21 GLN 53 2.585 7.683 1.778 421 HE22 GLN 53 HE22 GLN 53 0.901 7.488 2.247 422 H LEU 54 HN LEU 54 7.303 6.899 3.634 423 HA LEU 54 HA LEU 54 7.989 5.774 6.267 424 HB2 LEU 54 HB2 LEU 54 8.532 4.585 3.546 425 HB3 LEU 54 HB3 LEU 54 9.737 4.372 4.804 426 HG LEU 54 HG LEU 54 6.838 3.483 5.038 427 HD11 LEU 54 HD11 LEU 54 9.350 1.882 4.365 428 HD12 LEU 54 HD12 LEU 54 8.015 2.256 3.251 429 HD13 LEU 54 HD13 LEU 54 7.735 1.207 4.642 430 HD21 LEU 54 HD21 LEU 54 7.714 2.110 6.927 431 HD22 LEU 54 HD22 LEU 54 7.873 3.835 7.228 432 HD23 LEU 54 HD23 LEU 54 9.300 2.883 6.749 433 H SER 55 HN SER 55 10.678 5.873 6.325 434 HA SER 55 HA SER 55 11.558 8.510 5.858 435 HB2 SER 55 HB2 SER 55 12.987 5.824 6.132 436 HB3 SER 55 HB3 SER 55 13.750 7.387 6.205 437 HG SER 55 HG SER 55 13.502 6.761 8.208 438 H THR 56 HN THR 56 13.221 9.129 4.314 439 HA THR 56 HA THR 56 12.699 8.437 1.677 440 HB THR 56 HB THR 56 14.717 9.816 1.192 441 HG1 THR 56 HG1 THR 56 16.119 10.228 2.667 442 HG21 THR 56 HG21 THR 56 13.018 10.983 3.457 443 HG22 THR 56 HG22 THR 56 12.541 10.922 1.741 444 HG23 THR 56 HG23 THR 56 13.948 11.888 2.244 445 H ILE 57 HN ILE 57 15.025 7.134 3.900 446 HA ILE 57 HA ILE 57 16.418 5.549 1.868 447 HB ILE 57 HB ILE 57 16.619 5.453 4.898 448 HG12 ILE 57 HG12 ILE 57 17.090 7.719 4.259 449 HG13 ILE 57 HG13 ILE 57 18.554 6.902 4.723 450 HG21 ILE 57 HG21 ILE 57 18.888 4.567 4.454 451 HG22 ILE 57 HG22 ILE 57 17.615 3.492 3.896 452 HG23 ILE 57 HG23 ILE 57 18.510 4.474 2.719 453 HD11 ILE 57 HD11 ILE 57 18.939 8.367 2.801 454 HD12 ILE 57 HD12 ILE 57 19.178 6.685 2.309 455 HD13 ILE 57 HD13 ILE 57 17.685 7.537 1.866 456 H GLU 58 HN GLU 58 14.264 4.872 4.686 457 HA GLU 58 HA GLU 58 14.356 2.079 4.441 458 HB2 GLU 58 HB2 GLU 58 12.155 3.839 5.603 459 HB3 GLU 58 HB3 GLU 58 12.229 2.090 5.742 460 HG2 GLU 58 HG2 GLU 58 14.792 2.994 6.594 461 HG3 GLU 58 HG3 GLU 58 13.632 4.110 7.315 462 H ALA 59 HN ALA 59 11.967 4.414 3.068 463 HA ALA 59 HA ALA 59 10.214 2.547 1.942 464 HB1 ALA 59 HB1 ALA 59 11.117 5.212 0.768 465 HB2 ALA 59 HB2 ALA 59 9.611 4.363 0.378 466 HB3 ALA 59 HB3 ALA 59 9.877 5.054 1.995 467 H ALA 60 HN ALA 60 13.030 4.127 0.413 468 HA ALA 60 HA ALA 60 13.064 2.686 -1.989 469 HB1 ALA 60 HB1 ALA 60 15.383 3.875 -0.397 470 HB2 ALA 60 HB2 ALA 60 15.444 3.411 -2.110 471 HB3 ALA 60 HB3 ALA 60 14.381 4.733 -1.579 472 H GLN 61 HN GLN 61 14.946 1.941 1.017 473 HA GLN 61 HA GLN 61 16.345 -0.277 -0.074 474 HB2 GLN 61 HB2 GLN 61 15.508 0.473 2.776 475 HB3 GLN 61 HB3 GLN 61 16.359 -1.043 2.441 476 HG2 GLN 61 HG2 GLN 61 18.205 0.208 1.393 477 HG3 GLN 61 HG3 GLN 61 17.450 1.730 1.897 478 HE21 GLN 61 HE21 GLN 61 16.492 0.687 4.569 479 HE22 GLN 61 HE22 GLN 61 17.888 0.339 5.498 480 H LEU 62 HN LEU 62 13.341 -0.233 1.851 481 HA LEU 62 HA LEU 62 13.059 -3.081 1.946 482 HB2 LEU 62 HB2 LEU 62 12.111 -1.020 3.377 483 HB3 LEU 62 HB3 LEU 62 10.828 -1.065 2.212 484 HG LEU 62 HG LEU 62 10.057 -2.223 3.987 485 HD11 LEU 62 HD11 LEU 62 11.099 -4.534 2.326 486 HD12 LEU 62 HD12 LEU 62 9.644 -3.545 2.033 487 HD13 LEU 62 HD13 LEU 62 9.745 -4.563 3.472 488 HD21 LEU 62 HD21 LEU 62 11.301 -3.985 5.261 489 HD22 LEU 62 HD22 LEU 62 12.163 -2.444 5.267 490 HD23 LEU 62 HD23 LEU 62 12.707 -3.756 4.200 491 H LEU 63 HN LEU 63 11.781 -0.523 -0.187 492 HA LEU 63 HA LEU 63 9.878 -2.070 -1.510 493 HB2 LEU 63 HB2 LEU 63 9.937 0.335 -1.694 494 HB3 LEU 63 HB3 LEU 63 11.537 0.308 -2.402 495 HG LEU 63 HG LEU 63 9.818 -1.266 -4.115 496 HD11 LEU 63 HD11 LEU 63 8.110 0.312 -4.751 497 HD12 LEU 63 HD12 LEU 63 8.671 1.471 -3.530 498 HD13 LEU 63 HD13 LEU 63 7.948 -0.065 -3.033 499 HD21 LEU 63 HD21 LEU 63 10.438 0.528 -5.741 500 HD22 LEU 63 HD22 LEU 63 11.825 -0.073 -4.832 501 HD23 LEU 63 HD23 LEU 63 11.106 1.482 -4.400 502 H GLN 64 HN GLN 64 13.400 -1.661 -2.160 503 HA GLN 64 HA GLN 64 13.446 -3.034 -4.667 504 HB2 GLN 64 HB2 GLN 64 15.553 -3.021 -2.453 505 HB3 GLN 64 HB3 GLN 64 15.846 -3.513 -4.116 506 HG2 GLN 64 HG2 GLN 64 15.080 -0.697 -3.286 507 HG3 GLN 64 HG3 GLN 64 16.719 -1.278 -3.480 508 HE21 GLN 64 HE21 GLN 64 13.618 -0.907 -5.303 509 HE22 GLN 64 HE22 GLN 64 14.394 -0.557 -6.824 510 H ILE 65 HN ILE 65 13.336 -4.271 -1.329 511 HA ILE 65 HA ILE 65 14.191 -6.951 -1.840 512 HB ILE 65 HB ILE 65 12.316 -5.985 0.368 513 HG12 ILE 65 HG12 ILE 65 15.370 -5.959 0.322 514 HG13 ILE 65 HG13 ILE 65 14.301 -4.557 0.352 515 HG21 ILE 65 HG21 ILE 65 14.336 -8.219 0.602 516 HG22 ILE 65 HG22 ILE 65 12.883 -7.864 1.589 517 HG23 ILE 65 HG23 ILE 65 12.712 -8.471 -0.045 518 HD11 ILE 65 HD11 ILE 65 13.406 -5.343 2.579 519 HD12 ILE 65 HD12 ILE 65 14.747 -6.519 2.610 520 HD13 ILE 65 HD13 ILE 65 15.081 -4.777 2.559 521 H LEU 66 HN LEU 66 10.928 -5.584 -1.304 522 HA LEU 66 HA LEU 66 9.412 -7.659 -2.274 523 HB2 LEU 66 HB2 LEU 66 8.859 -4.698 -2.265 524 HB3 LEU 66 HB3 LEU 66 7.678 -5.847 -2.846 525 HG LEU 66 HG LEU 66 6.969 -5.427 -0.719 526 HD11 LEU 66 HD11 LEU 66 7.153 -7.444 0.559 527 HD12 LEU 66 HD12 LEU 66 8.658 -7.909 -0.243 528 HD13 LEU 66 HD13 LEU 66 7.121 -7.893 -1.157 529 HD21 LEU 66 HD21 LEU 66 9.746 -5.850 0.428 530 HD22 LEU 66 HD22 LEU 66 8.278 -5.318 1.271 531 HD23 LEU 66 HD23 LEU 66 9.019 -4.274 0.043 532 H GLN 67 HN GLN 67 11.453 -5.746 -4.281 533 HA GLN 67 HA GLN 67 9.841 -6.358 -6.708 534 HB2 GLN 67 HB2 GLN 67 12.219 -4.540 -6.177 535 HB3 GLN 67 HB3 GLN 67 11.546 -4.846 -7.790 536 HG2 GLN 67 HG2 GLN 67 9.369 -4.093 -7.111 537 HG3 GLN 67 HG3 GLN 67 9.884 -3.775 -5.467 538 HE21 GLN 67 HE21 GLN 67 8.848 -1.886 -7.611 539 HE22 GLN 67 HE22 GLN 67 10.026 -0.611 -7.660 540 H ALA 68 HN ALA 68 11.684 -8.145 -4.924 541 HA ALA 68 HA ALA 68 13.055 -9.474 -7.246 542 HB1 ALA 68 HB1 ALA 68 14.301 -8.830 -4.537 543 HB2 ALA 68 HB2 ALA 68 15.103 -9.619 -5.917 544 HB3 ALA 68 HB3 ALA 68 14.580 -7.932 -6.041 545 H LEU 69 HN LEU 69 10.685 -10.215 -5.207 546 HA LEU 69 HA LEU 69 11.747 -12.849 -4.403 547 HB2 LEU 69 HB2 LEU 69 10.910 -12.675 -2.239 548 HB3 LEU 69 HB3 LEU 69 12.027 -11.405 -2.597 549 HG LEU 69 HG LEU 69 10.679 -9.950 -1.877 550 HD11 LEU 69 HD11 LEU 69 8.560 -10.646 -3.919 551 HD12 LEU 69 HD12 LEU 69 9.753 -9.345 -3.946 552 HD13 LEU 69 HD13 LEU 69 8.411 -9.351 -2.788 553 HD21 LEU 69 HD21 LEU 69 9.743 -11.683 -0.417 554 HD22 LEU 69 HD22 LEU 69 8.460 -12.010 -1.612 555 HD23 LEU 69 HD23 LEU 69 8.562 -10.422 -0.788 556 H HIS 70 HN HIS 70 9.419 -13.673 -3.001 557 HA HIS 70 HA HIS 70 7.767 -14.483 -5.232 558 HB2 HIS 70 HB2 HIS 70 6.479 -15.709 -3.581 559 HB3 HIS 70 HB3 HIS 70 8.195 -15.974 -3.327 560 HD1 HIS 70 HD1 HIS 70 9.153 -15.180 -0.895 561 HD2 HIS 70 HD2 HIS 70 5.070 -14.557 -1.741 562 HE1 HIS 70 HE1 HIS 70 7.974 -14.818 1.350 563 HA PRO 71 HA PRO 71 4.965 -11.052 -5.128 564 HB2 PRO 71 HB2 PRO 71 2.634 -12.195 -6.087 565 HB3 PRO 71 HB3 PRO 71 4.060 -11.825 -7.077 566 HG2 PRO 71 HG2 PRO 71 3.296 -14.457 -5.792 567 HG3 PRO 71 HG3 PRO 71 3.834 -14.174 -7.474 568 HD2 PRO 71 HD2 PRO 71 5.548 -15.025 -5.511 569 HD3 PRO 71 HD3 PRO 71 6.081 -13.871 -6.777 570 HA PRO 72 HA PRO 72 2.726 -10.853 -1.465 571 HB2 PRO 72 HB2 PRO 72 0.487 -9.337 -1.956 572 HB3 PRO 72 HB3 PRO 72 2.161 -8.688 -1.917 573 HG2 PRO 72 HG2 PRO 72 0.513 -9.602 -4.290 574 HG3 PRO 72 HG3 PRO 72 1.399 -8.074 -4.109 575 HD2 PRO 72 HD2 PRO 72 2.500 -10.113 -5.445 576 HD3 PRO 72 HD3 PRO 72 3.512 -9.184 -4.301 577 H LEU 73 HN LEU 73 1.012 -11.491 -0.126 578 HA LEU 73 HA LEU 73 -0.554 -13.834 -0.846 579 HB2 LEU 73 HB2 LEU 73 0.788 -13.430 1.244 580 HB3 LEU 73 HB3 LEU 73 -0.339 -12.166 1.690 581 HG LEU 73 HG LEU 73 -1.157 -15.080 1.251 582 HD11 LEU 73 HD11 LEU 73 -0.384 -13.649 3.835 583 HD12 LEU 73 HD12 LEU 73 0.529 -14.948 3.021 584 HD13 LEU 73 HD13 LEU 73 -1.059 -15.288 3.728 585 HD21 LEU 73 HD21 LEU 73 -2.521 -12.778 2.691 586 HD22 LEU 73 HD22 LEU 73 -3.079 -14.470 2.727 587 HD23 LEU 73 HD23 LEU 73 -3.049 -13.593 1.209 588 H THR 74 HN THR 74 -2.590 -13.639 -1.654 589 HA THR 74 HA THR 74 -3.957 -10.990 -1.626 590 HB THR 74 HB THR 74 -4.143 -11.816 -3.758 591 HG1 THR 74 HG1 THR 74 -6.128 -12.391 -4.100 592 HG21 THR 74 HG21 THR 74 -4.525 -14.573 -2.648 593 HG22 THR 74 HG22 THR 74 -3.255 -13.961 -3.760 594 HG23 THR 74 HG23 THR 74 -4.937 -14.116 -4.315 595 H ILE 75 HN ILE 75 -5.727 -10.566 -0.393 596 HA ILE 75 HA ILE 75 -6.502 -12.697 1.559 597 HB ILE 75 HB ILE 75 -6.660 -9.808 2.329 598 HG12 ILE 75 HG12 ILE 75 -4.258 -10.219 3.380 599 HG13 ILE 75 HG13 ILE 75 -4.001 -11.217 1.952 600 HG21 ILE 75 HG21 ILE 75 -5.808 -12.307 3.839 601 HG22 ILE 75 HG22 ILE 75 -6.156 -10.703 4.534 602 HG23 ILE 75 HG23 ILE 75 -7.451 -11.641 3.797 603 HD11 ILE 75 HD11 ILE 75 -3.209 -8.877 1.809 604 HD12 ILE 75 HD12 ILE 75 -4.421 -9.199 0.553 605 HD13 ILE 75 HD13 ILE 75 -4.863 -8.279 2.017 606 H ASP 76 HN ASP 76 -7.715 -11.627 -1.027 607 HA ASP 76 HA ASP 76 -10.456 -11.998 -0.385 608 HB2 ASP 76 HB2 ASP 76 -9.892 -9.457 0.322 609 HB3 ASP 76 HB3 ASP 76 -10.150 -9.161 -1.371 610 H GLY 77 HN GLY 77 -8.416 -12.973 -2.213 611 HA2 GLY 77 HA1 GLY 77 -8.126 -13.607 -4.352 612 HA3 GLY 77 HA2 GLY 77 -9.832 -13.179 -4.627 613 H LYS 78 HN LYS 78 -7.567 -10.692 -3.606 614 HA LYS 78 HA LYS 78 -7.212 -9.632 -6.349 615 HB2 LYS 78 HB2 LYS 78 -7.102 -7.376 -5.064 616 HB3 LYS 78 HB3 LYS 78 -8.632 -8.078 -5.527 617 HG2 LYS 78 HG2 LYS 78 -9.073 -7.331 -3.492 618 HG3 LYS 78 HG3 LYS 78 -8.845 -8.993 -3.131 619 HD2 LYS 78 HD2 LYS 78 -6.689 -8.484 -2.121 620 HD3 LYS 78 HD3 LYS 78 -6.851 -6.764 -2.600 621 HE2 LYS 78 HE2 LYS 78 -9.073 -7.002 -1.129 622 HE3 LYS 78 HE3 LYS 78 -8.293 -8.461 -0.536 623 HZ1 LYS 78 HZ1 LYS 78 -6.385 -6.897 0.040 624 HZ2 LYS 78 HZ2 LYS 78 -7.733 -6.885 0.972 625 HZ3 LYS 78 HZ3 LYS 78 -7.517 -5.681 -0.129 626 H THR 79 HN THR 79 -5.060 -9.942 -6.841 627 HA THR 79 HA THR 79 -3.180 -10.114 -4.583 628 HB THR 79 HB THR 79 -2.651 -10.531 -7.528 629 HG1 THR 79 HG1 THR 79 -4.119 -12.067 -6.370 630 HG21 THR 79 HG21 THR 79 -0.613 -9.998 -6.207 631 HG22 THR 79 HG22 THR 79 -0.631 -11.710 -6.647 632 HG23 THR 79 HG23 THR 79 -1.064 -11.222 -4.997 633 H ILE 80 HN ILE 80 -1.974 -8.476 -3.908 634 HA ILE 80 HA ILE 80 -2.545 -5.841 -4.923 635 HB ILE 80 HB ILE 80 -0.569 -6.718 -2.782 636 HG12 ILE 80 HG12 ILE 80 -2.657 -7.603 -2.052 637 HG13 ILE 80 HG13 ILE 80 -2.443 -6.107 -1.178 638 HG21 ILE 80 HG21 ILE 80 -1.851 -4.013 -3.333 639 HG22 ILE 80 HG22 ILE 80 -1.079 -4.435 -1.795 640 HG23 ILE 80 HG23 ILE 80 -0.117 -4.416 -3.249 641 HD11 ILE 80 HD11 ILE 80 -4.702 -6.103 -1.826 642 HD12 ILE 80 HD12 ILE 80 -3.936 -5.023 -3.014 643 HD13 ILE 80 HD13 ILE 80 -4.351 -6.684 -3.463 644 H ASN 81 HN ASN 81 -0.706 -4.238 -5.271 645 HA ASN 81 HA ASN 81 1.416 -5.308 -7.080 646 HB2 ASN 81 HB2 ASN 81 -0.800 -3.403 -7.567 647 HB3 ASN 81 HB3 ASN 81 0.775 -2.740 -7.983 648 HD21 ASN 81 HD21 ASN 81 -0.837 -6.002 -8.328 649 HD22 ASN 81 HD22 ASN 81 -0.317 -6.156 -9.993 650 H VAL 82 HN VAL 82 3.277 -3.747 -7.237 651 HA VAL 82 HA VAL 82 3.597 -1.958 -4.889 652 HB VAL 82 HB VAL 82 5.732 -3.179 -6.715 653 HG11 VAL 82 HG11 VAL 82 6.466 -1.018 -5.858 654 HG12 VAL 82 HG12 VAL 82 5.946 -1.424 -4.213 655 HG13 VAL 82 HG13 VAL 82 7.320 -2.278 -5.004 656 HG21 VAL 82 HG21 VAL 82 4.855 -4.897 -5.200 657 HG22 VAL 82 HG22 VAL 82 6.456 -4.419 -4.674 658 HG23 VAL 82 HG23 VAL 82 5.014 -3.815 -3.807 659 H GLU 83 HN GLU 83 3.937 0.254 -5.300 660 HA GLU 83 HA GLU 83 5.130 0.931 -7.836 661 HB2 GLU 83 HB2 GLU 83 2.533 2.040 -6.779 662 HB3 GLU 83 HB3 GLU 83 3.634 3.204 -7.453 663 HG2 GLU 83 HG2 GLU 83 2.752 0.780 -9.026 664 HG3 GLU 83 HG3 GLU 83 1.858 2.282 -8.974 665 H PHE 84 HN PHE 84 6.126 2.964 -7.699 666 HA PHE 84 HA PHE 84 7.054 3.735 -4.955 667 HB2 PHE 84 HB2 PHE 84 8.554 2.040 -6.057 668 HB3 PHE 84 HB3 PHE 84 8.829 3.157 -7.364 669 HD1 PHE 84 HD1 PHE 84 8.780 3.870 -3.616 670 HD2 PHE 84 HD2 PHE 84 11.145 3.551 -7.222 671 HE1 PHE 84 HE1 PHE 84 10.793 4.588 -2.373 672 HE2 PHE 84 HE2 PHE 84 13.141 4.260 -5.968 673 HZ PHE 84 HZ PHE 84 12.979 4.756 -3.532 674 H ALA 85 HN ALA 85 6.083 5.773 -4.941 675 HA ALA 85 HA ALA 85 6.720 7.657 -7.148 676 HB1 ALA 85 HB1 ALA 85 5.185 9.176 -6.026 677 HB2 ALA 85 HB2 ALA 85 4.381 7.622 -6.361 678 HB3 ALA 85 HB3 ALA 85 4.943 7.990 -4.726 679 H LYS 86 HN LYS 86 8.910 7.488 -6.725 680 HA LYS 86 HA LYS 86 10.057 8.838 -4.363 681 HB2 LYS 86 HB2 LYS 86 10.927 6.629 -5.070 682 HB3 LYS 86 HB3 LYS 86 11.307 7.260 -6.654 683 HG2 LYS 86 HG2 LYS 86 13.329 7.100 -5.411 684 HG3 LYS 86 HG3 LYS 86 12.987 8.824 -5.587 685 HD2 LYS 86 HD2 LYS 86 12.203 8.990 -3.311 686 HD3 LYS 86 HD3 LYS 86 12.245 7.211 -3.143 687 HE2 LYS 86 HE2 LYS 86 14.735 7.287 -3.495 688 HE3 LYS 86 HE3 LYS 86 14.640 9.047 -3.526 689 HZ1 LYS 86 HZ1 LYS 86 15.193 8.331 -1.288 690 HZ2 LYS 86 HZ2 LYS 86 13.859 7.337 -1.227 691 HZ3 LYS 86 HZ3 LYS 86 13.628 8.882 -1.274 692 H GLY 87 HN GLY 87 8.828 10.804 -5.297 693 HA2 GLY 87 HA1 GLY 87 9.686 11.983 -7.760 694 HA3 GLY 87 HA2 GLY 87 8.831 12.780 -6.421 695 H SER 88 HN SER 88 11.239 11.800 -4.671 696 HA SER 88 HA SER 88 12.937 12.890 -3.638 697 HB2 SER 88 HB2 SER 88 13.849 13.604 -6.368 698 HB3 SER 88 HB3 SER 88 14.821 13.671 -4.895 699 HG SER 88 HG SER 88 13.887 11.479 -6.369 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 11.211 16.694 -1.760 2 HA2 GLY 1 HA1 GLY 1 10.278 15.947 0.468 3 HA3 GLY 1 HA2 GLY 1 8.955 17.075 0.127 4 H HIS 2 HN HIS 2 8.023 14.608 0.500 5 HA HIS 2 HA HIS 2 7.111 12.759 -0.275 6 HB2 HIS 2 HB2 HIS 2 6.876 14.180 -2.943 7 HB3 HIS 2 HB3 HIS 2 5.961 12.778 -2.395 8 HD1 HIS 2 HD1 HIS 2 6.130 16.585 -1.853 9 HD2 HIS 2 HD2 HIS 2 4.072 13.160 -0.502 10 HE1 HIS 2 HE1 HIS 2 4.298 17.411 -0.319 11 H MET 3 HN MET 3 9.916 12.868 -0.193 12 HA MET 3 HA MET 3 11.071 11.478 -2.496 13 HB2 MET 3 HB2 MET 3 12.070 12.197 0.296 14 HB3 MET 3 HB3 MET 3 13.063 11.382 -0.915 15 HG2 MET 3 HG2 MET 3 12.946 13.300 -2.392 16 HG3 MET 3 HG3 MET 3 11.906 14.161 -1.244 17 HE1 MET 3 HE1 MET 3 15.598 15.777 -1.231 18 HE2 MET 3 HE2 MET 3 14.920 14.824 -2.571 19 HE3 MET 3 HE3 MET 3 13.916 16.024 -1.734 20 H ASP 4 HN ASP 4 8.734 10.269 -0.967 21 HA ASP 4 HA ASP 4 9.675 7.632 -0.734 22 HB2 ASP 4 HB2 ASP 4 9.014 7.504 1.713 23 HB3 ASP 4 HB3 ASP 4 10.636 8.023 1.284 24 H THR 5 HN THR 5 7.908 7.433 -2.079 25 HA THR 5 HA THR 5 5.419 6.986 -0.606 26 HB THR 5 HB THR 5 5.088 7.982 -3.407 27 HG1 THR 5 HG1 THR 5 5.175 10.003 -2.864 28 HG21 THR 5 HG21 THR 5 3.359 8.120 -0.898 29 HG22 THR 5 HG22 THR 5 3.227 6.880 -2.152 30 HG23 THR 5 HG23 THR 5 2.864 8.576 -2.543 31 H ILE 6 HN ILE 6 5.315 4.882 -0.619 32 HA ILE 6 HA ILE 6 5.697 3.380 -3.150 33 HB ILE 6 HB ILE 6 5.098 2.283 -0.379 34 HG12 ILE 6 HG12 ILE 6 7.741 2.315 -1.878 35 HG13 ILE 6 HG13 ILE 6 7.356 3.189 -0.387 36 HG21 ILE 6 HG21 ILE 6 5.438 0.088 -1.354 37 HG22 ILE 6 HG22 ILE 6 4.222 0.919 -2.290 38 HG23 ILE 6 HG23 ILE 6 5.882 0.809 -2.912 39 HD11 ILE 6 HD11 ILE 6 7.610 0.191 -0.699 40 HD12 ILE 6 HD12 ILE 6 8.605 1.284 0.260 41 HD13 ILE 6 HD13 ILE 6 6.930 0.984 0.747 42 H ILE 7 HN ILE 7 3.779 2.604 -4.067 43 HA ILE 7 HA ILE 7 1.185 3.449 -2.874 44 HB ILE 7 HB ILE 7 1.961 3.599 -5.809 45 HG12 ILE 7 HG12 ILE 7 1.201 6.131 -5.136 46 HG13 ILE 7 HG13 ILE 7 1.934 5.593 -3.627 47 HG21 ILE 7 HG21 ILE 7 -0.171 4.639 -6.255 48 HG22 ILE 7 HG22 ILE 7 -0.436 3.026 -5.598 49 HG23 ILE 7 HG23 ILE 7 -0.668 4.463 -4.566 50 HD11 ILE 7 HD11 ILE 7 3.556 6.683 -4.917 51 HD12 ILE 7 HD12 ILE 7 4.007 4.973 -4.988 52 HD13 ILE 7 HD13 ILE 7 3.190 5.726 -6.377 53 H LEU 8 HN LEU 8 -0.550 2.019 -3.394 54 HA LEU 8 HA LEU 8 0.302 -0.679 -4.328 55 HB2 LEU 8 HB2 LEU 8 -1.789 -0.032 -2.231 56 HB3 LEU 8 HB3 LEU 8 -1.449 -1.629 -2.896 57 HG LEU 8 HG LEU 8 0.376 0.022 -1.109 58 HD11 LEU 8 HD11 LEU 8 -0.114 -1.891 0.446 59 HD12 LEU 8 HD12 LEU 8 -1.214 -2.547 -0.793 60 HD13 LEU 8 HD13 LEU 8 -1.576 -0.996 -0.025 61 HD21 LEU 8 HD21 LEU 8 0.871 -2.746 -2.317 62 HD22 LEU 8 HD22 LEU 8 1.845 -1.986 -1.042 63 HD23 LEU 8 HD23 LEU 8 1.805 -1.273 -2.650 64 H ARG 9 HN ARG 9 -1.402 -1.814 -5.418 65 HA ARG 9 HA ARG 9 -3.637 -0.157 -6.454 66 HB2 ARG 9 HB2 ARG 9 -2.267 -1.803 -8.570 67 HB3 ARG 9 HB3 ARG 9 -3.242 -0.510 -8.700 68 HG2 ARG 9 HG2 ARG 9 -1.451 1.057 -7.956 69 HG3 ARG 9 HG3 ARG 9 -0.372 -0.299 -7.673 70 HD2 ARG 9 HD2 ARG 9 0.170 0.777 -9.803 71 HD3 ARG 9 HD3 ARG 9 -0.300 -0.889 -10.018 72 HE ARG 9 HE ARG 9 -1.789 1.532 -10.793 73 HH11 ARG 9 HH11 ARG 9 -1.560 -2.023 -11.050 74 HH12 ARG 9 HH12 ARG 9 -3.058 -2.224 -11.851 75 HH21 ARG 9 HH21 ARG 9 -3.690 1.293 -12.089 76 HH22 ARG 9 HH22 ARG 9 -4.316 -0.304 -12.401 77 H ASN 10 HN ASN 10 -5.277 -1.509 -7.574 78 HA ASN 10 HA ASN 10 -6.662 -3.235 -7.757 79 HB2 ASN 10 HB2 ASN 10 -4.733 -4.445 -8.765 80 HB3 ASN 10 HB3 ASN 10 -4.326 -5.077 -7.167 81 HD21 ASN 10 HD21 ASN 10 -4.666 -7.251 -7.823 82 HD22 ASN 10 HD22 ASN 10 -6.271 -7.846 -8.279 83 H LEU 11 HN LEU 11 -6.641 -1.795 -5.358 84 HA LEU 11 HA LEU 11 -6.860 -3.726 -3.158 85 HB2 LEU 11 HB2 LEU 11 -7.590 -0.793 -3.402 86 HB3 LEU 11 HB3 LEU 11 -7.683 -1.715 -1.938 87 HG LEU 11 HG LEU 11 -5.720 -0.102 -2.362 88 HD11 LEU 11 HD11 LEU 11 -4.118 -1.545 -1.058 89 HD12 LEU 11 HD12 LEU 11 -5.243 -2.897 -1.304 90 HD13 LEU 11 HD13 LEU 11 -5.759 -1.435 -0.413 91 HD21 LEU 11 HD21 LEU 11 -4.363 -2.413 -3.672 92 HD22 LEU 11 HD22 LEU 11 -3.706 -0.807 -3.255 93 HD23 LEU 11 HD23 LEU 11 -4.939 -0.941 -4.498 94 H ASN 12 HN ASN 12 -8.747 -4.849 -2.897 95 HA ASN 12 HA ASN 12 -11.119 -4.418 -4.549 96 HB2 ASN 12 HB2 ASN 12 -10.220 -6.365 -2.464 97 HB3 ASN 12 HB3 ASN 12 -11.894 -5.947 -2.363 98 HD21 ASN 12 HD21 ASN 12 -12.480 -8.127 -2.970 99 HD22 ASN 12 HD22 ASN 12 -12.552 -8.496 -4.673 100 HA PRO 13 HA PRO 13 -12.910 -1.254 -2.335 101 HB2 PRO 13 HB2 PRO 13 -15.585 -1.710 -2.477 102 HB3 PRO 13 HB3 PRO 13 -14.600 -1.370 -3.911 103 HG2 PRO 13 HG2 PRO 13 -15.506 -4.062 -2.842 104 HG3 PRO 13 HG3 PRO 13 -15.593 -3.441 -4.520 105 HD2 PRO 13 HD2 PRO 13 -13.629 -5.063 -3.591 106 HD3 PRO 13 HD3 PRO 13 -13.318 -3.832 -4.871 107 H HIS 14 HN HIS 14 -13.956 -4.482 -1.230 108 HA HIS 14 HA HIS 14 -14.799 -3.771 1.389 109 HB2 HIS 14 HB2 HIS 14 -13.607 -6.395 0.357 110 HB3 HIS 14 HB3 HIS 14 -14.580 -6.200 1.812 111 HD1 HIS 14 HD1 HIS 14 -15.323 -8.058 -0.866 112 HD2 HIS 14 HD2 HIS 14 -16.870 -4.303 0.306 113 HE1 HIS 14 HE1 HIS 14 -17.637 -7.922 -1.790 114 H SER 15 HN SER 15 -11.593 -3.837 0.107 115 HA SER 15 HA SER 15 -10.300 -5.012 2.430 116 HB2 SER 15 HB2 SER 15 -9.151 -3.235 0.233 117 HB3 SER 15 HB3 SER 15 -8.260 -4.283 1.364 118 HG SER 15 HG SER 15 -10.149 -5.742 0.308 119 H THR 16 HN THR 16 -8.749 -3.657 3.775 120 HA THR 16 HA THR 16 -9.729 -0.997 4.329 121 HB THR 16 HB THR 16 -10.325 -1.303 6.527 122 HG1 THR 16 HG1 THR 16 -10.074 -3.441 7.556 123 HG21 THR 16 HG21 THR 16 -11.924 -2.547 4.907 124 HG22 THR 16 HG22 THR 16 -12.090 -2.805 6.644 125 HG23 THR 16 HG23 THR 16 -11.294 -4.030 5.621 126 H MET 17 HN MET 17 -8.085 -0.063 5.905 127 HA MET 17 HA MET 17 -5.428 -0.385 4.877 128 HB2 MET 17 HB2 MET 17 -6.316 1.801 5.628 129 HB3 MET 17 HB3 MET 17 -6.658 1.109 7.201 130 HG2 MET 17 HG2 MET 17 -4.254 0.729 7.584 131 HG3 MET 17 HG3 MET 17 -3.891 1.358 5.980 132 HE1 MET 17 HE1 MET 17 -5.517 3.727 9.615 133 HE2 MET 17 HE2 MET 17 -6.614 2.840 8.558 134 HE3 MET 17 HE3 MET 17 -5.372 1.962 9.460 135 H ASP 18 HN ASP 18 -7.208 -1.095 7.957 136 HA ASP 18 HA ASP 18 -4.996 -2.224 9.230 137 HB2 ASP 18 HB2 ASP 18 -7.408 -1.300 9.959 138 HB3 ASP 18 HB3 ASP 18 -7.762 -3.020 10.037 139 H SER 19 HN SER 19 -7.642 -3.769 7.380 140 HA SER 19 HA SER 19 -6.936 -6.499 7.796 141 HB2 SER 19 HB2 SER 19 -8.446 -4.963 5.702 142 HB3 SER 19 HB3 SER 19 -7.733 -6.479 5.171 143 HG SER 19 HG SER 19 -9.202 -6.430 7.576 144 H ILE 20 HN ILE 20 -5.800 -4.166 5.262 145 HA ILE 20 HA ILE 20 -4.041 -6.169 4.112 146 HB ILE 20 HB ILE 20 -4.023 -3.158 3.759 147 HG12 ILE 20 HG12 ILE 20 -5.235 -5.083 1.737 148 HG13 ILE 20 HG13 ILE 20 -6.229 -4.542 3.079 149 HG21 ILE 20 HG21 ILE 20 -2.859 -5.412 2.044 150 HG22 ILE 20 HG22 ILE 20 -2.893 -3.706 1.554 151 HG23 ILE 20 HG23 ILE 20 -1.952 -4.190 2.941 152 HD11 ILE 20 HD11 ILE 20 -6.481 -3.071 1.125 153 HD12 ILE 20 HD12 ILE 20 -5.826 -2.195 2.531 154 HD13 ILE 20 HD13 ILE 20 -4.757 -2.664 1.218 155 H LEU 21 HN LEU 21 -3.727 -3.517 6.543 156 HA LEU 21 HA LEU 21 -0.885 -3.678 6.747 157 HB2 LEU 21 HB2 LEU 21 -3.058 -2.930 8.747 158 HB3 LEU 21 HB3 LEU 21 -1.397 -3.010 9.262 159 HG LEU 21 HG LEU 21 -2.354 -1.159 7.042 160 HD11 LEU 21 HD11 LEU 21 -1.613 -0.576 9.945 161 HD12 LEU 21 HD12 LEU 21 -3.267 -0.592 9.310 162 HD13 LEU 21 HD13 LEU 21 -2.110 0.605 8.718 163 HD21 LEU 21 HD21 LEU 21 0.309 -1.493 8.475 164 HD22 LEU 21 HD22 LEU 21 -0.138 -0.061 7.539 165 HD23 LEU 21 HD23 LEU 21 -0.009 -1.633 6.730 166 H GLY 22 HN GLY 22 -3.368 -5.704 8.314 167 HA2 GLY 22 HA1 GLY 22 -1.326 -7.127 9.840 168 HA3 GLY 22 HA2 GLY 22 -3.045 -7.541 9.714 169 H ALA 23 HN ALA 23 -2.790 -7.579 6.687 170 HA ALA 23 HA ALA 23 -1.913 -10.429 6.639 171 HB1 ALA 23 HB1 ALA 23 -4.270 -10.095 6.318 172 HB2 ALA 23 HB2 ALA 23 -3.954 -8.896 5.036 173 HB3 ALA 23 HB3 ALA 23 -3.541 -10.610 4.781 174 H LEU 24 HN LEU 24 -1.098 -7.393 5.152 175 HA LEU 24 HA LEU 24 0.573 -8.824 3.137 176 HB2 LEU 24 HB2 LEU 24 -1.195 -7.194 2.323 177 HB3 LEU 24 HB3 LEU 24 -0.321 -5.925 3.175 178 HG LEU 24 HG LEU 24 1.643 -6.273 1.664 179 HD11 LEU 24 HD11 LEU 24 1.394 -7.679 -0.354 180 HD12 LEU 24 HD12 LEU 24 -0.142 -8.315 0.285 181 HD13 LEU 24 HD13 LEU 24 1.391 -8.653 1.114 182 HD21 LEU 24 HD21 LEU 24 -0.990 -5.888 0.199 183 HD22 LEU 24 HD22 LEU 24 0.621 -5.369 -0.360 184 HD23 LEU 24 HD23 LEU 24 -0.085 -4.633 1.083 185 H ALA 25 HN ALA 25 1.374 -8.888 5.852 186 HA ALA 25 HA ALA 25 3.621 -6.920 5.912 187 HB1 ALA 25 HB1 ALA 25 1.684 -7.496 8.161 188 HB2 ALA 25 HB2 ALA 25 3.090 -6.402 8.194 189 HB3 ALA 25 HB3 ALA 25 1.720 -6.051 7.125 190 HA PRO 26 HA PRO 26 5.069 -11.091 7.478 191 HB2 PRO 26 HB2 PRO 26 6.444 -12.073 5.335 192 HB3 PRO 26 HB3 PRO 26 4.722 -12.419 5.665 193 HG2 PRO 26 HG2 PRO 26 5.827 -10.325 3.772 194 HG3 PRO 26 HG3 PRO 26 4.573 -11.573 3.444 195 HD2 PRO 26 HD2 PRO 26 3.954 -9.014 4.152 196 HD3 PRO 26 HD3 PRO 26 2.991 -10.395 4.704 197 H TYR 27 HN TYR 27 6.390 -8.561 5.292 198 HA TYR 27 HA TYR 27 9.018 -8.767 6.661 199 HB2 TYR 27 HB2 TYR 27 8.426 -7.880 3.843 200 HB3 TYR 27 HB3 TYR 27 10.000 -8.169 4.514 201 HD1 TYR 27 HD1 TYR 27 9.955 -10.778 5.789 202 HD2 TYR 27 HD2 TYR 27 7.782 -9.467 2.302 203 HE1 TYR 27 HE1 TYR 27 9.671 -13.121 5.096 204 HE2 TYR 27 HE2 TYR 27 7.366 -11.807 1.667 205 HH TYR 27 HH TYR 27 8.591 -14.595 3.570 206 H ALA 28 HN ALA 28 6.443 -6.513 5.795 207 HA ALA 28 HA ALA 28 7.859 -4.529 7.477 208 HB1 ALA 28 HB1 ALA 28 8.303 -3.650 5.309 209 HB2 ALA 28 HB2 ALA 28 6.604 -3.877 4.776 210 HB3 ALA 28 HB3 ALA 28 7.019 -2.680 6.025 211 H VAL 29 HN VAL 29 6.643 -4.276 9.151 212 HA VAL 29 HA VAL 29 3.677 -4.419 8.945 213 HB VAL 29 HB VAL 29 5.435 -4.389 11.436 214 HG11 VAL 29 HG11 VAL 29 3.316 -5.306 12.482 215 HG12 VAL 29 HG12 VAL 29 3.125 -3.648 11.853 216 HG13 VAL 29 HG13 VAL 29 2.494 -5.031 10.943 217 HG21 VAL 29 HG21 VAL 29 4.190 -6.823 10.116 218 HG22 VAL 29 HG22 VAL 29 5.925 -6.460 10.181 219 HG23 VAL 29 HG23 VAL 29 5.029 -6.784 11.670 220 H LEU 30 HN LEU 30 3.349 -2.381 7.968 221 HA LEU 30 HA LEU 30 4.759 0.018 8.760 222 HB2 LEU 30 HB2 LEU 30 2.104 -0.169 7.322 223 HB3 LEU 30 HB3 LEU 30 3.247 1.144 7.217 224 HG LEU 30 HG LEU 30 3.840 -1.649 6.114 225 HD11 LEU 30 HD11 LEU 30 1.786 -0.877 5.102 226 HD12 LEU 30 HD12 LEU 30 3.101 -0.811 3.932 227 HD13 LEU 30 HD13 LEU 30 2.536 0.694 4.697 228 HD21 LEU 30 HD21 LEU 30 5.015 1.072 5.438 229 HD22 LEU 30 HD22 LEU 30 5.377 -0.450 4.590 230 HD23 LEU 30 HD23 LEU 30 5.824 -0.262 6.287 231 H SER 31 HN SER 31 3.385 2.034 9.594 232 HA SER 31 HA SER 31 1.365 1.142 11.610 233 HB2 SER 31 HB2 SER 31 2.571 3.896 11.275 234 HB3 SER 31 HB3 SER 31 1.604 3.296 12.620 235 HG SER 31 HG SER 31 3.957 3.423 12.858 236 H SER 32 HN SER 32 -0.699 2.336 11.642 237 HA SER 32 HA SER 32 -1.886 2.771 9.104 238 HB2 SER 32 HB2 SER 32 -2.654 3.497 11.949 239 HB3 SER 32 HB3 SER 32 -3.662 3.903 10.556 240 HG SER 32 HG SER 32 -3.085 1.432 11.712 241 H SER 33 HN SER 33 -0.238 5.097 11.301 242 HA SER 33 HA SER 33 -0.984 7.419 9.925 243 HB2 SER 33 HB2 SER 33 1.368 6.688 11.502 244 HB3 SER 33 HB3 SER 33 1.197 8.324 10.822 245 HG SER 33 HG SER 33 0.303 7.625 13.067 246 H ASN 34 HN ASN 34 1.311 4.907 8.875 247 HA ASN 34 HA ASN 34 2.591 6.625 6.894 248 HB2 ASN 34 HB2 ASN 34 2.519 3.576 7.116 249 HB3 ASN 34 HB3 ASN 34 3.532 4.499 6.022 250 HD21 ASN 34 HD21 ASN 34 5.370 5.627 6.862 251 HD22 ASN 34 HD22 ASN 34 6.039 5.106 8.403 252 H VAL 35 HN VAL 35 -0.373 4.702 7.040 253 HA VAL 35 HA VAL 35 -0.275 4.327 4.127 254 HB VAL 35 HB VAL 35 -1.763 2.719 6.212 255 HG11 VAL 35 HG11 VAL 35 -2.829 2.620 3.957 256 HG12 VAL 35 HG12 VAL 35 -1.260 2.218 3.230 257 HG13 VAL 35 HG13 VAL 35 -2.049 1.093 4.361 258 HG21 VAL 35 HG21 VAL 35 0.598 2.352 6.497 259 HG22 VAL 35 HG22 VAL 35 0.009 1.002 5.539 260 HG23 VAL 35 HG23 VAL 35 0.882 2.332 4.747 261 H ARG 36 HN ARG 36 -1.425 5.648 2.948 262 HA ARG 36 HA ARG 36 -3.894 6.926 4.031 263 HB2 ARG 36 HB2 ARG 36 -1.764 7.786 2.158 264 HB3 ARG 36 HB3 ARG 36 -3.378 8.119 1.556 265 HG2 ARG 36 HG2 ARG 36 -2.886 8.804 4.443 266 HG3 ARG 36 HG3 ARG 36 -1.977 9.742 3.293 267 HD2 ARG 36 HD2 ARG 36 -4.941 9.377 2.802 268 HD3 ARG 36 HD3 ARG 36 -4.393 10.497 4.074 269 HE ARG 36 HE ARG 36 -2.929 11.009 1.698 270 HH11 ARG 36 HH11 ARG 36 -6.208 11.472 3.049 271 HH12 ARG 36 HH12 ARG 36 -6.550 12.870 2.079 272 HH21 ARG 36 HH21 ARG 36 -3.448 12.828 0.393 273 HH22 ARG 36 HH22 ARG 36 -5.001 13.589 0.462 274 H VAL 37 HN VAL 37 -5.719 5.855 3.652 275 HA VAL 37 HA VAL 37 -6.096 4.524 1.000 276 HB VAL 37 HB VAL 37 -7.386 3.714 3.646 277 HG11 VAL 37 HG11 VAL 37 -7.437 2.366 0.920 278 HG12 VAL 37 HG12 VAL 37 -8.219 1.753 2.386 279 HG13 VAL 37 HG13 VAL 37 -8.801 3.240 1.620 280 HG21 VAL 37 HG21 VAL 37 -5.100 3.018 3.786 281 HG22 VAL 37 HG22 VAL 37 -6.049 1.591 3.347 282 HG23 VAL 37 HG23 VAL 37 -5.101 2.430 2.107 283 H ILE 38 HN ILE 38 -7.376 5.919 -0.191 284 HA ILE 38 HA ILE 38 -9.143 7.835 1.143 285 HB ILE 38 HB ILE 38 -9.059 7.126 -1.807 286 HG12 ILE 38 HG12 ILE 38 -7.388 9.302 -0.472 287 HG13 ILE 38 HG13 ILE 38 -6.756 7.774 -1.096 288 HG21 ILE 38 HG21 ILE 38 -11.034 8.388 -1.116 289 HG22 ILE 38 HG22 ILE 38 -10.041 9.527 -0.200 290 HG23 ILE 38 HG23 ILE 38 -9.980 9.515 -1.961 291 HD11 ILE 38 HD11 ILE 38 -6.347 9.367 -2.792 292 HD12 ILE 38 HD12 ILE 38 -7.705 8.379 -3.364 293 HD13 ILE 38 HD13 ILE 38 -7.989 10.014 -2.726 294 H LYS 39 HN LYS 39 -11.335 7.353 1.720 295 HA LYS 39 HA LYS 39 -12.647 5.000 0.572 296 HB2 LYS 39 HB2 LYS 39 -13.187 6.690 3.038 297 HB3 LYS 39 HB3 LYS 39 -13.965 5.217 2.579 298 HG2 LYS 39 HG2 LYS 39 -11.093 5.497 3.548 299 HG3 LYS 39 HG3 LYS 39 -12.469 4.865 4.433 300 HD2 LYS 39 HD2 LYS 39 -12.671 3.049 2.657 301 HD3 LYS 39 HD3 LYS 39 -11.105 3.616 2.056 302 HE2 LYS 39 HE2 LYS 39 -10.474 1.881 3.514 303 HE3 LYS 39 HE3 LYS 39 -10.275 3.340 4.500 304 HZ1 LYS 39 HZ1 LYS 39 -12.395 1.297 4.685 305 HZ2 LYS 39 HZ2 LYS 39 -12.631 2.806 5.284 306 HZ3 LYS 39 HZ3 LYS 39 -11.421 1.879 5.869 307 H ASP 40 HN ASP 40 -14.716 5.357 -0.370 308 HA ASP 40 HA ASP 40 -15.320 8.033 -1.243 309 HB2 ASP 40 HB2 ASP 40 -15.785 5.632 -2.287 310 HB3 ASP 40 HB3 ASP 40 -17.263 5.745 -1.303 311 H LYS 41 HN LYS 41 -17.909 8.547 -1.060 312 HA LYS 41 HA LYS 41 -18.759 8.340 1.795 313 HB2 LYS 41 HB2 LYS 41 -18.603 10.798 0.014 314 HB3 LYS 41 HB3 LYS 41 -19.859 10.702 1.236 315 HG2 LYS 41 HG2 LYS 41 -16.911 10.334 1.886 316 HG3 LYS 41 HG3 LYS 41 -17.706 11.901 1.918 317 HD2 LYS 41 HD2 LYS 41 -18.684 9.527 3.567 318 HD3 LYS 41 HD3 LYS 41 -17.514 10.698 4.163 319 HE2 LYS 41 HE2 LYS 41 -20.043 11.821 2.972 320 HE3 LYS 41 HE3 LYS 41 -20.211 10.941 4.496 321 HZ1 LYS 41 HZ1 LYS 41 -18.739 12.389 5.548 322 HZ2 LYS 41 HZ2 LYS 41 -19.809 13.341 4.742 323 HZ3 LYS 41 HZ3 LYS 41 -18.300 13.166 4.146 324 H GLN 42 HN GLN 42 -19.604 8.216 -1.628 325 HA GLN 42 HA GLN 42 -22.439 7.873 -1.002 326 HB2 GLN 42 HB2 GLN 42 -20.838 8.741 -3.266 327 HB3 GLN 42 HB3 GLN 42 -21.700 7.288 -3.732 328 HG2 GLN 42 HG2 GLN 42 -22.948 9.281 -4.271 329 HG3 GLN 42 HG3 GLN 42 -23.813 8.262 -3.108 330 HE21 GLN 42 HE21 GLN 42 -24.772 10.810 -3.404 331 HE22 GLN 42 HE22 GLN 42 -24.438 11.697 -1.940 332 H THR 43 HN THR 43 -19.669 6.099 -2.544 333 HA THR 43 HA THR 43 -21.126 3.602 -2.233 334 HB THR 43 HB THR 43 -19.369 2.563 -3.352 335 HG1 THR 43 HG1 THR 43 -17.389 3.744 -3.754 336 HG21 THR 43 HG21 THR 43 -20.628 4.178 -4.784 337 HG22 THR 43 HG22 THR 43 -18.964 3.908 -5.338 338 HG23 THR 43 HG23 THR 43 -19.367 5.394 -4.488 339 H GLN 44 HN GLN 44 -18.978 5.443 -0.328 340 HA GLN 44 HA GLN 44 -17.851 5.293 1.580 341 HB2 GLN 44 HB2 GLN 44 -19.683 2.932 2.157 342 HB3 GLN 44 HB3 GLN 44 -18.645 3.682 3.348 343 HG2 GLN 44 HG2 GLN 44 -20.846 5.187 1.879 344 HG3 GLN 44 HG3 GLN 44 -21.039 4.377 3.437 345 HE21 GLN 44 HE21 GLN 44 -21.700 6.787 3.774 346 HE22 GLN 44 HE22 GLN 44 -20.450 7.770 4.501 347 H LEU 45 HN LEU 45 -17.062 3.391 -0.869 348 HA LEU 45 HA LEU 45 -15.409 1.441 0.671 349 HB2 LEU 45 HB2 LEU 45 -16.126 1.574 -2.261 350 HB3 LEU 45 HB3 LEU 45 -15.207 0.286 -1.500 351 HG LEU 45 HG LEU 45 -17.967 0.898 -0.464 352 HD11 LEU 45 HD11 LEU 45 -18.237 0.916 -2.791 353 HD12 LEU 45 HD12 LEU 45 -18.943 -0.582 -2.168 354 HD13 LEU 45 HD13 LEU 45 -17.382 -0.620 -3.009 355 HD21 LEU 45 HD21 LEU 45 -16.418 -0.791 0.657 356 HD22 LEU 45 HD22 LEU 45 -16.724 -1.844 -0.730 357 HD23 LEU 45 HD23 LEU 45 -18.065 -1.311 0.272 358 H ASN 46 HN ASN 46 -13.237 0.998 -0.316 359 HA ASN 46 HA ASN 46 -11.779 3.407 -0.432 360 HB2 ASN 46 HB2 ASN 46 -10.387 1.110 -1.757 361 HB3 ASN 46 HB3 ASN 46 -9.812 2.304 -0.636 362 HD21 ASN 46 HD21 ASN 46 -10.312 -1.011 -0.868 363 HD22 ASN 46 HD22 ASN 46 -10.621 -1.185 0.848 364 H ARG 47 HN ARG 47 -10.579 4.388 -2.209 365 HA ARG 47 HA ARG 47 -11.857 4.360 -4.810 366 HB2 ARG 47 HB2 ARG 47 -9.516 5.850 -3.759 367 HB3 ARG 47 HB3 ARG 47 -9.831 5.780 -5.503 368 HG2 ARG 47 HG2 ARG 47 -12.039 6.655 -5.334 369 HG3 ARG 47 HG3 ARG 47 -12.056 6.420 -3.578 370 HD2 ARG 47 HD2 ARG 47 -11.664 8.551 -3.469 371 HD3 ARG 47 HD3 ARG 47 -9.996 8.034 -3.691 372 HE ARG 47 HE ARG 47 -9.870 9.265 -5.577 373 HH11 ARG 47 HH11 ARG 47 -13.350 8.847 -4.884 374 HH12 ARG 47 HH12 ARG 47 -13.824 9.968 -6.115 375 HH21 ARG 47 HH21 ARG 47 -10.588 10.924 -7.069 376 HH22 ARG 47 HH22 ARG 47 -12.244 11.378 -7.019 377 H GLY 48 HN GLY 48 -9.673 2.128 -3.519 378 HA2 GLY 48 HA1 GLY 48 -9.265 0.132 -4.582 379 HA3 GLY 48 HA2 GLY 48 -9.403 0.900 -6.152 380 H PHE 49 HN PHE 49 -7.346 2.640 -4.103 381 HA PHE 49 HA PHE 49 -4.880 1.131 -4.568 382 HB2 PHE 49 HB2 PHE 49 -3.734 3.249 -5.269 383 HB3 PHE 49 HB3 PHE 49 -4.817 2.554 -6.458 384 HD1 PHE 49 HD1 PHE 49 -6.952 3.628 -7.038 385 HD2 PHE 49 HD2 PHE 49 -4.228 5.409 -4.192 386 HE1 PHE 49 HE1 PHE 49 -8.217 5.740 -7.146 387 HE2 PHE 49 HE2 PHE 49 -5.512 7.533 -4.323 388 HZ PHE 49 HZ PHE 49 -7.515 7.698 -5.768 389 H ALA 50 HN ALA 50 -3.103 2.417 -3.230 390 HA ALA 50 HA ALA 50 -4.118 3.958 -0.997 391 HB1 ALA 50 HB1 ALA 50 -4.464 1.650 -0.121 392 HB2 ALA 50 HB2 ALA 50 -2.770 1.252 -0.505 393 HB3 ALA 50 HB3 ALA 50 -3.141 2.466 0.733 394 H PHE 51 HN PHE 51 -2.154 4.721 0.312 395 HA PHE 51 HA PHE 51 0.343 4.784 -1.297 396 HB2 PHE 51 HB2 PHE 51 -0.916 7.002 0.361 397 HB3 PHE 51 HB3 PHE 51 0.621 7.095 -0.449 398 HD1 PHE 51 HD1 PHE 51 -2.981 7.438 -0.745 399 HD2 PHE 51 HD2 PHE 51 0.697 7.189 -2.974 400 HE1 PHE 51 HE1 PHE 51 -4.102 8.427 -2.688 401 HE2 PHE 51 HE2 PHE 51 -0.429 8.107 -4.965 402 HZ PHE 51 HZ PHE 51 -2.861 8.725 -4.844 403 H ILE 52 HN ILE 52 2.151 4.803 -0.014 404 HA ILE 52 HA ILE 52 1.967 4.375 2.911 405 HB ILE 52 HB ILE 52 3.639 2.947 0.886 406 HG12 ILE 52 HG12 ILE 52 1.518 1.647 2.614 407 HG13 ILE 52 HG13 ILE 52 1.226 2.160 0.954 408 HG21 ILE 52 HG21 ILE 52 4.923 3.261 2.929 409 HG22 ILE 52 HG22 ILE 52 3.589 2.631 3.916 410 HG23 ILE 52 HG23 ILE 52 4.494 1.570 2.813 411 HD11 ILE 52 HD11 ILE 52 3.281 0.074 1.745 412 HD12 ILE 52 HD12 ILE 52 1.702 -0.210 1.012 413 HD13 ILE 52 HD13 ILE 52 2.949 0.661 0.102 414 H GLN 53 HN GLN 53 3.056 5.996 3.794 415 HA GLN 53 HA GLN 53 5.108 7.506 2.237 416 HB2 GLN 53 HB2 GLN 53 3.089 8.354 4.374 417 HB3 GLN 53 HB3 GLN 53 4.540 9.270 4.005 418 HG2 GLN 53 HG2 GLN 53 2.926 10.337 2.751 419 HG3 GLN 53 HG3 GLN 53 3.809 9.383 1.580 420 HE21 GLN 53 HE21 GLN 53 1.576 7.259 3.268 421 HE22 GLN 53 HE22 GLN 53 0.286 7.432 2.118 422 H LEU 54 HN LEU 54 7.046 6.759 2.854 423 HA LEU 54 HA LEU 54 7.401 5.711 5.635 424 HB2 LEU 54 HB2 LEU 54 8.030 4.505 3.019 425 HB3 LEU 54 HB3 LEU 54 9.428 4.546 4.049 426 HG LEU 54 HG LEU 54 6.745 3.360 4.863 427 HD11 LEU 54 HD11 LEU 54 7.837 1.184 4.558 428 HD12 LEU 54 HD12 LEU 54 9.323 1.969 3.995 429 HD13 LEU 54 HD13 LEU 54 7.826 2.081 3.037 430 HD21 LEU 54 HD21 LEU 54 7.885 3.977 6.877 431 HD22 LEU 54 HD22 LEU 54 9.465 3.486 6.243 432 HD23 LEU 54 HD23 LEU 54 8.249 2.278 6.650 433 H SER 55 HN SER 55 10.089 5.572 5.748 434 HA SER 55 HA SER 55 11.171 8.306 5.580 435 HB2 SER 55 HB2 SER 55 11.861 5.635 6.670 436 HB3 SER 55 HB3 SER 55 13.258 6.406 5.954 437 HG SER 55 HG SER 55 12.409 8.326 7.331 438 H THR 56 HN THR 56 13.019 8.783 4.111 439 HA THR 56 HA THR 56 12.733 8.053 1.455 440 HB THR 56 HB THR 56 15.082 8.965 1.262 441 HG1 THR 56 HG1 THR 56 16.079 9.744 3.040 442 HG21 THR 56 HG21 THR 56 14.469 11.231 1.818 443 HG22 THR 56 HG22 THR 56 13.298 10.685 3.035 444 HG23 THR 56 HG23 THR 56 12.983 10.390 1.325 445 H ILE 57 HN ILE 57 15.288 6.977 3.634 446 HA ILE 57 HA ILE 57 16.302 4.894 2.045 447 HB ILE 57 HB ILE 57 16.390 5.151 5.073 448 HG12 ILE 57 HG12 ILE 57 18.312 6.153 2.912 449 HG13 ILE 57 HG13 ILE 57 17.234 7.180 3.859 450 HG21 ILE 57 HG21 ILE 57 17.003 2.911 4.339 451 HG22 ILE 57 HG22 ILE 57 18.130 3.561 3.124 452 HG23 ILE 57 HG23 ILE 57 18.440 3.744 4.864 453 HD11 ILE 57 HD11 ILE 57 19.622 5.650 4.894 454 HD12 ILE 57 HD12 ILE 57 19.375 7.392 4.797 455 HD13 ILE 57 HD13 ILE 57 18.415 6.442 5.946 456 H GLU 58 HN GLU 58 13.818 4.756 4.689 457 HA GLU 58 HA GLU 58 13.665 1.988 4.672 458 HB2 GLU 58 HB2 GLU 58 11.503 3.946 5.444 459 HB3 GLU 58 HB3 GLU 58 11.377 2.204 5.611 460 HG2 GLU 58 HG2 GLU 58 13.756 2.462 6.827 461 HG3 GLU 58 HG3 GLU 58 13.137 4.055 7.203 462 H ALA 59 HN ALA 59 11.743 4.338 2.830 463 HA ALA 59 HA ALA 59 9.895 2.565 1.614 464 HB1 ALA 59 HB1 ALA 59 11.082 5.160 0.497 465 HB2 ALA 59 HB2 ALA 59 9.595 4.358 -0.055 466 HB3 ALA 59 HB3 ALA 59 9.678 5.058 1.566 467 H ALA 60 HN ALA 60 13.080 3.778 0.496 468 HA ALA 60 HA ALA 60 13.178 2.287 -1.916 469 HB1 ALA 60 HB1 ALA 60 15.463 3.209 -0.103 470 HB2 ALA 60 HB2 ALA 60 15.622 2.678 -1.786 471 HB3 ALA 60 HB3 ALA 60 14.722 4.158 -1.406 472 H GLN 61 HN GLN 61 14.582 1.463 1.282 473 HA GLN 61 HA GLN 61 15.812 -0.969 0.625 474 HB2 GLN 61 HB2 GLN 61 14.539 0.036 3.199 475 HB3 GLN 61 HB3 GLN 61 15.374 -1.521 3.109 476 HG2 GLN 61 HG2 GLN 61 17.422 -0.421 2.344 477 HG3 GLN 61 HG3 GLN 61 16.656 1.156 2.444 478 HE21 GLN 61 HE21 GLN 61 15.170 0.224 5.090 479 HE22 GLN 61 HE22 GLN 61 16.418 0.377 6.268 480 H LEU 62 HN LEU 62 12.596 -0.575 2.167 481 HA LEU 62 HA LEU 62 11.910 -3.314 2.170 482 HB2 LEU 62 HB2 LEU 62 10.818 -1.627 3.516 483 HB3 LEU 62 HB3 LEU 62 10.258 -0.749 2.108 484 HG LEU 62 HG LEU 62 8.621 -2.113 3.419 485 HD11 LEU 62 HD11 LEU 62 8.070 -1.145 1.297 486 HD12 LEU 62 HD12 LEU 62 7.227 -2.666 1.569 487 HD13 LEU 62 HD13 LEU 62 8.604 -2.605 0.452 488 HD21 LEU 62 HD21 LEU 62 9.931 -4.223 3.633 489 HD22 LEU 62 HD22 LEU 62 9.695 -4.517 1.898 490 HD23 LEU 62 HD23 LEU 62 8.301 -4.478 2.974 491 H LEU 63 HN LEU 63 11.393 -0.771 -0.276 492 HA LEU 63 HA LEU 63 9.730 -2.361 -1.961 493 HB2 LEU 63 HB2 LEU 63 9.878 0.118 -2.035 494 HB3 LEU 63 HB3 LEU 63 11.512 -0.024 -2.683 495 HG LEU 63 HG LEU 63 9.812 -1.688 -4.339 496 HD11 LEU 63 HD11 LEU 63 8.093 -0.195 -5.084 497 HD12 LEU 63 HD12 LEU 63 8.578 1.028 -3.877 498 HD13 LEU 63 HD13 LEU 63 7.915 -0.540 -3.366 499 HD21 LEU 63 HD21 LEU 63 11.161 0.989 -4.779 500 HD22 LEU 63 HD22 LEU 63 10.441 0.010 -6.074 501 HD23 LEU 63 HD23 LEU 63 11.816 -0.613 -5.131 502 H GLN 64 HN GLN 64 13.276 -1.966 -1.744 503 HA GLN 64 HA GLN 64 13.934 -3.236 -4.218 504 HB2 GLN 64 HB2 GLN 64 15.441 -3.523 -1.597 505 HB3 GLN 64 HB3 GLN 64 16.077 -3.809 -3.219 506 HG2 GLN 64 HG2 GLN 64 15.629 -1.229 -1.766 507 HG3 GLN 64 HG3 GLN 64 17.088 -1.887 -2.411 508 HE21 GLN 64 HE21 GLN 64 14.039 -0.332 -3.355 509 HE22 GLN 64 HE22 GLN 64 14.692 0.417 -4.815 510 H ILE 65 HN ILE 65 13.265 -4.514 -0.939 511 HA ILE 65 HA ILE 65 13.733 -7.271 -1.598 512 HB ILE 65 HB ILE 65 11.996 -6.172 0.643 513 HG12 ILE 65 HG12 ILE 65 14.962 -6.906 0.777 514 HG13 ILE 65 HG13 ILE 65 14.383 -5.249 0.642 515 HG21 ILE 65 HG21 ILE 65 12.455 -8.349 1.723 516 HG22 ILE 65 HG22 ILE 65 11.789 -8.645 0.116 517 HG23 ILE 65 HG23 ILE 65 13.524 -8.810 0.392 518 HD11 ILE 65 HD11 ILE 65 14.885 -5.670 2.930 519 HD12 ILE 65 HD12 ILE 65 13.132 -5.488 2.768 520 HD13 ILE 65 HD13 ILE 65 13.853 -7.103 2.980 521 H LEU 66 HN LEU 66 10.667 -5.300 -1.376 522 HA LEU 66 HA LEU 66 8.965 -7.212 -2.359 523 HB2 LEU 66 HB2 LEU 66 8.777 -4.228 -2.665 524 HB3 LEU 66 HB3 LEU 66 7.512 -5.347 -3.111 525 HG LEU 66 HG LEU 66 8.613 -4.837 -0.324 526 HD11 LEU 66 HD11 LEU 66 5.835 -4.538 -1.548 527 HD12 LEU 66 HD12 LEU 66 6.986 -3.214 -1.231 528 HD13 LEU 66 HD13 LEU 66 6.292 -4.152 0.115 529 HD21 LEU 66 HD21 LEU 66 6.965 -6.410 0.562 530 HD22 LEU 66 HD22 LEU 66 8.152 -7.249 -0.418 531 HD23 LEU 66 HD23 LEU 66 6.533 -6.927 -1.100 532 H GLN 67 HN GLN 67 11.396 -5.709 -4.239 533 HA GLN 67 HA GLN 67 10.109 -6.827 -6.713 534 HB2 GLN 67 HB2 GLN 67 12.221 -4.650 -6.512 535 HB3 GLN 67 HB3 GLN 67 11.512 -5.341 -7.977 536 HG2 GLN 67 HG2 GLN 67 9.198 -4.663 -6.727 537 HG3 GLN 67 HG3 GLN 67 10.251 -3.526 -5.914 538 HE21 GLN 67 HE21 GLN 67 9.390 -1.655 -6.843 539 HE22 GLN 67 HE22 GLN 67 9.211 -1.478 -8.569 540 H ALA 68 HN ALA 68 11.913 -7.994 -4.463 541 HA ALA 68 HA ALA 68 13.663 -9.569 -6.296 542 HB1 ALA 68 HB1 ALA 68 14.049 -8.776 -3.384 543 HB2 ALA 68 HB2 ALA 68 15.098 -9.887 -4.261 544 HB3 ALA 68 HB3 ALA 68 14.961 -8.202 -4.796 545 H LEU 69 HN LEU 69 10.986 -9.745 -4.148 546 HA LEU 69 HA LEU 69 11.729 -12.344 -3.084 547 HB2 LEU 69 HB2 LEU 69 10.691 -11.857 -1.160 548 HB3 LEU 69 HB3 LEU 69 11.630 -10.483 -1.652 549 HG LEU 69 HG LEU 69 9.977 -9.242 -1.271 550 HD11 LEU 69 HD11 LEU 69 7.913 -8.998 -2.619 551 HD12 LEU 69 HD12 LEU 69 8.289 -10.458 -3.485 552 HD13 LEU 69 HD13 LEU 69 9.376 -9.093 -3.605 553 HD21 LEU 69 HD21 LEU 69 9.181 -10.836 0.271 554 HD22 LEU 69 HD22 LEU 69 8.136 -11.590 -0.970 555 HD23 LEU 69 HD23 LEU 69 7.852 -9.912 -0.403 556 H HIS 70 HN HIS 70 9.514 -13.243 -1.941 557 HA HIS 70 HA HIS 70 8.010 -14.644 -3.898 558 HB2 HIS 70 HB2 HIS 70 8.242 -14.462 -0.974 559 HB3 HIS 70 HB3 HIS 70 6.563 -14.525 -1.443 560 HD1 HIS 70 HD1 HIS 70 6.171 -16.859 -0.508 561 HD2 HIS 70 HD2 HIS 70 9.303 -16.616 -3.309 562 HE1 HIS 70 HE1 HIS 70 6.793 -19.287 -1.117 563 HA PRO 71 HA PRO 71 5.271 -11.582 -5.107 564 HB2 PRO 71 HB2 PRO 71 3.034 -12.978 -6.000 565 HB3 PRO 71 HB3 PRO 71 4.613 -12.871 -6.845 566 HG2 PRO 71 HG2 PRO 71 3.612 -15.054 -4.982 567 HG3 PRO 71 HG3 PRO 71 4.428 -15.247 -6.577 568 HD2 PRO 71 HD2 PRO 71 5.803 -15.488 -4.256 569 HD3 PRO 71 HD3 PRO 71 6.547 -14.590 -5.615 570 HA PRO 72 HA PRO 72 2.936 -10.185 -1.872 571 HB2 PRO 72 HB2 PRO 72 0.938 -8.570 -3.013 572 HB3 PRO 72 HB3 PRO 72 2.652 -8.153 -2.731 573 HG2 PRO 72 HG2 PRO 72 1.305 -9.148 -5.251 574 HG3 PRO 72 HG3 PRO 72 2.577 -7.894 -5.110 575 HD2 PRO 72 HD2 PRO 72 3.114 -10.441 -5.897 576 HD3 PRO 72 HD3 PRO 72 4.262 -9.504 -4.902 577 H LEU 73 HN LEU 73 1.504 -10.769 -0.494 578 HA LEU 73 HA LEU 73 -0.206 -12.972 -0.933 579 HB2 LEU 73 HB2 LEU 73 1.209 -12.226 1.106 580 HB3 LEU 73 HB3 LEU 73 -0.101 -11.131 1.497 581 HG LEU 73 HG LEU 73 -0.170 -13.127 2.793 582 HD11 LEU 73 HD11 LEU 73 -2.481 -13.557 0.945 583 HD12 LEU 73 HD12 LEU 73 -2.347 -12.073 1.941 584 HD13 LEU 73 HD13 LEU 73 -2.419 -13.653 2.705 585 HD21 LEU 73 HD21 LEU 73 0.993 -14.670 1.222 586 HD22 LEU 73 HD22 LEU 73 -0.494 -14.789 0.258 587 HD23 LEU 73 HD23 LEU 73 -0.474 -15.380 1.922 588 H THR 74 HN THR 74 -2.261 -12.972 -1.499 589 HA THR 74 HA THR 74 -3.711 -10.386 -1.901 590 HB THR 74 HB THR 74 -3.972 -11.612 -3.848 591 HG1 THR 74 HG1 THR 74 -6.141 -12.220 -3.795 592 HG21 THR 74 HG21 THR 74 -4.723 -14.045 -2.208 593 HG22 THR 74 HG22 THR 74 -3.311 -13.830 -3.295 594 HG23 THR 74 HG23 THR 74 -4.961 -13.842 -3.958 595 H ILE 75 HN ILE 75 -5.664 -9.971 -0.906 596 HA ILE 75 HA ILE 75 -6.373 -11.687 1.438 597 HB ILE 75 HB ILE 75 -6.426 -8.722 1.793 598 HG12 ILE 75 HG12 ILE 75 -4.087 -9.028 2.937 599 HG13 ILE 75 HG13 ILE 75 -3.837 -10.284 1.758 600 HG21 ILE 75 HG21 ILE 75 -6.098 -9.275 4.112 601 HG22 ILE 75 HG22 ILE 75 -7.362 -10.326 3.474 602 HG23 ILE 75 HG23 ILE 75 -5.735 -10.969 3.700 603 HD11 ILE 75 HD11 ILE 75 -2.898 -8.114 1.107 604 HD12 ILE 75 HD12 ILE 75 -4.206 -8.505 -0.029 605 HD13 ILE 75 HD13 ILE 75 -4.468 -7.332 1.293 606 H ASP 76 HN ASP 76 -7.568 -11.077 -1.273 607 HA ASP 76 HA ASP 76 -10.231 -11.447 -0.580 608 HB2 ASP 76 HB2 ASP 76 -9.942 -8.780 -0.196 609 HB3 ASP 76 HB3 ASP 76 -10.245 -8.737 -1.901 610 H GLY 77 HN GLY 77 -8.278 -12.629 -2.264 611 HA2 GLY 77 HA1 GLY 77 -7.912 -13.498 -4.299 612 HA3 GLY 77 HA2 GLY 77 -9.578 -13.052 -4.698 613 H LYS 78 HN LYS 78 -7.575 -10.369 -3.886 614 HA LYS 78 HA LYS 78 -7.136 -9.620 -6.725 615 HB2 LYS 78 HB2 LYS 78 -6.883 -7.301 -5.575 616 HB3 LYS 78 HB3 LYS 78 -8.438 -7.925 -6.059 617 HG2 LYS 78 HG2 LYS 78 -8.625 -6.849 -3.966 618 HG3 LYS 78 HG3 LYS 78 -8.979 -8.532 -3.746 619 HD2 LYS 78 HD2 LYS 78 -6.985 -8.894 -2.516 620 HD3 LYS 78 HD3 LYS 78 -6.275 -7.353 -3.088 621 HE2 LYS 78 HE2 LYS 78 -7.865 -6.059 -1.829 622 HE3 LYS 78 HE3 LYS 78 -8.769 -7.502 -1.377 623 HZ1 LYS 78 HZ1 LYS 78 -6.928 -8.194 -0.031 624 HZ2 LYS 78 HZ2 LYS 78 -7.453 -6.739 0.425 625 HZ3 LYS 78 HZ3 LYS 78 -6.050 -6.855 -0.444 626 H THR 79 HN THR 79 -4.982 -10.134 -7.233 627 HA THR 79 HA THR 79 -3.028 -10.071 -5.118 628 HB THR 79 HB THR 79 -2.166 -9.900 -7.968 629 HG1 THR 79 HG1 THR 79 -2.872 -11.781 -8.520 630 HG21 THR 79 HG21 THR 79 -1.452 -11.725 -5.630 631 HG22 THR 79 HG22 THR 79 -0.605 -10.218 -6.051 632 HG23 THR 79 HG23 THR 79 -0.565 -11.590 -7.169 633 H ILE 80 HN ILE 80 -2.363 -8.263 -4.222 634 HA ILE 80 HA ILE 80 -2.892 -5.619 -5.161 635 HB ILE 80 HB ILE 80 -0.992 -6.627 -2.999 636 HG12 ILE 80 HG12 ILE 80 -3.294 -7.449 -2.537 637 HG13 ILE 80 HG13 ILE 80 -2.711 -6.304 -1.348 638 HG21 ILE 80 HG21 ILE 80 -1.474 -4.366 -1.965 639 HG22 ILE 80 HG22 ILE 80 -0.467 -4.361 -3.405 640 HG23 ILE 80 HG23 ILE 80 -2.177 -3.879 -3.527 641 HD11 ILE 80 HD11 ILE 80 -4.070 -4.498 -2.421 642 HD12 ILE 80 HD12 ILE 80 -4.663 -5.690 -3.593 643 HD13 ILE 80 HD13 ILE 80 -5.041 -5.852 -1.862 644 H ASN 81 HN ASN 81 -1.510 -4.182 -6.096 645 HA ASN 81 HA ASN 81 1.041 -5.087 -7.410 646 HB2 ASN 81 HB2 ASN 81 -1.062 -3.023 -7.708 647 HB3 ASN 81 HB3 ASN 81 0.514 -2.500 -8.227 648 HD21 ASN 81 HD21 ASN 81 -0.937 -5.605 -8.628 649 HD22 ASN 81 HD22 ASN 81 -0.408 -5.730 -10.315 650 H VAL 82 HN VAL 82 2.826 -3.507 -7.222 651 HA VAL 82 HA VAL 82 2.657 -1.574 -4.964 652 HB VAL 82 HB VAL 82 5.153 -3.122 -5.817 653 HG11 VAL 82 HG11 VAL 82 5.544 -0.974 -4.624 654 HG12 VAL 82 HG12 VAL 82 4.531 -1.542 -3.279 655 HG13 VAL 82 HG13 VAL 82 6.062 -2.363 -3.673 656 HG21 VAL 82 HG21 VAL 82 4.900 -4.463 -3.731 657 HG22 VAL 82 HG22 VAL 82 3.280 -3.767 -3.486 658 HG23 VAL 82 HG23 VAL 82 3.626 -4.810 -4.886 659 H GLU 83 HN GLU 83 3.551 0.487 -5.514 660 HA GLU 83 HA GLU 83 5.047 0.792 -8.031 661 HB2 GLU 83 HB2 GLU 83 2.517 2.163 -7.283 662 HB3 GLU 83 HB3 GLU 83 3.797 3.266 -7.738 663 HG2 GLU 83 HG2 GLU 83 4.044 2.052 -9.888 664 HG3 GLU 83 HG3 GLU 83 2.647 1.060 -9.466 665 H PHE 84 HN PHE 84 6.230 2.779 -7.959 666 HA PHE 84 HA PHE 84 7.067 3.667 -5.222 667 HB2 PHE 84 HB2 PHE 84 8.505 1.775 -6.058 668 HB3 PHE 84 HB3 PHE 84 9.007 2.770 -7.386 669 HD1 PHE 84 HD1 PHE 84 8.605 3.702 -3.709 670 HD2 PHE 84 HD2 PHE 84 11.326 3.054 -7.007 671 HE1 PHE 84 HE1 PHE 84 10.496 4.423 -2.305 672 HE2 PHE 84 HE2 PHE 84 13.208 3.760 -5.584 673 HZ PHE 84 HZ PHE 84 12.804 4.449 -3.219 674 H ALA 85 HN ALA 85 6.073 5.691 -5.592 675 HA ALA 85 HA ALA 85 7.049 7.340 -7.878 676 HB1 ALA 85 HB1 ALA 85 5.291 8.879 -7.276 677 HB2 ALA 85 HB2 ALA 85 4.581 7.251 -7.403 678 HB3 ALA 85 HB3 ALA 85 4.955 7.955 -5.803 679 H LYS 86 HN LYS 86 9.109 6.858 -6.474 680 HA LYS 86 HA LYS 86 9.630 8.393 -4.141 681 HB2 LYS 86 HB2 LYS 86 10.913 6.420 -5.330 682 HB3 LYS 86 HB3 LYS 86 11.696 7.676 -6.267 683 HG2 LYS 86 HG2 LYS 86 11.805 7.181 -3.262 684 HG3 LYS 86 HG3 LYS 86 13.115 7.124 -4.454 685 HD2 LYS 86 HD2 LYS 86 12.604 9.633 -4.828 686 HD3 LYS 86 HD3 LYS 86 11.701 9.510 -3.303 687 HE2 LYS 86 HE2 LYS 86 13.676 9.121 -2.062 688 HE3 LYS 86 HE3 LYS 86 14.505 8.411 -3.448 689 HZ1 LYS 86 HZ1 LYS 86 14.676 10.605 -4.427 690 HZ2 LYS 86 HZ2 LYS 86 15.454 10.476 -3.002 691 HZ3 LYS 86 HZ3 LYS 86 14.023 11.289 -3.077 692 H GLY 87 HN GLY 87 8.772 10.525 -4.379 693 HA2 GLY 87 HA1 GLY 87 9.216 12.246 -6.602 694 HA3 GLY 87 HA2 GLY 87 8.647 12.688 -4.977 695 H SER 88 HN SER 88 11.437 12.195 -7.014 696 HA SER 88 HA SER 88 13.382 12.455 -4.915 697 HB2 SER 88 HB2 SER 88 13.722 12.469 -7.941 698 HB3 SER 88 HB3 SER 88 14.982 12.161 -6.751 699 HG SER 88 HG SER 88 12.626 10.582 -7.143 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 4.697 17.234 -4.366 2 HA2 GLY 1 HA1 GLY 1 7.396 17.130 -3.158 3 HA3 GLY 1 HA2 GLY 1 6.042 18.081 -2.546 4 H HIS 2 HN HIS 2 7.236 14.785 -3.109 5 HA HIS 2 HA HIS 2 6.479 13.967 -0.475 6 HB2 HIS 2 HB2 HIS 2 4.987 12.934 -2.869 7 HB3 HIS 2 HB3 HIS 2 5.631 11.732 -1.773 8 HD1 HIS 2 HD1 HIS 2 4.658 11.590 0.683 9 HD2 HIS 2 HD2 HIS 2 2.882 14.403 -1.891 10 HE1 HIS 2 HE1 HIS 2 2.384 12.217 1.734 11 H MET 3 HN MET 3 7.976 12.360 0.148 12 HA MET 3 HA MET 3 10.076 11.735 -1.877 13 HB2 MET 3 HB2 MET 3 10.373 12.354 1.084 14 HB3 MET 3 HB3 MET 3 11.630 11.733 0.006 15 HG2 MET 3 HG2 MET 3 12.040 14.000 0.195 16 HG3 MET 3 HG3 MET 3 11.402 13.739 -1.418 17 HE1 MET 3 HE1 MET 3 11.573 16.375 -1.372 18 HE2 MET 3 HE2 MET 3 10.672 17.425 -0.247 19 HE3 MET 3 HE3 MET 3 11.938 16.355 0.363 20 H ASP 4 HN ASP 4 9.987 9.714 -2.388 21 HA ASP 4 HA ASP 4 9.839 7.526 -2.456 22 HB2 ASP 4 HB2 ASP 4 10.878 7.575 0.355 23 HB3 ASP 4 HB3 ASP 4 11.024 6.316 -0.885 24 H THR 5 HN THR 5 7.710 7.318 -2.742 25 HA THR 5 HA THR 5 5.938 6.712 -0.414 26 HB THR 5 HB THR 5 5.122 7.828 -3.114 27 HG1 THR 5 HG1 THR 5 5.356 9.799 -2.400 28 HG21 THR 5 HG21 THR 5 3.130 8.593 -1.967 29 HG22 THR 5 HG22 THR 5 3.758 8.022 -0.405 30 HG23 THR 5 HG23 THR 5 3.327 6.852 -1.676 31 H ILE 6 HN ILE 6 5.633 4.504 -0.395 32 HA ILE 6 HA ILE 6 5.717 2.973 -2.934 33 HB ILE 6 HB ILE 6 5.172 1.976 -0.114 34 HG12 ILE 6 HG12 ILE 6 7.790 2.074 -1.657 35 HG13 ILE 6 HG13 ILE 6 7.390 2.959 -0.177 36 HG21 ILE 6 HG21 ILE 6 5.599 -0.250 -1.074 37 HG22 ILE 6 HG22 ILE 6 4.286 0.531 -1.937 38 HG23 ILE 6 HG23 ILE 6 5.895 0.477 -2.668 39 HD11 ILE 6 HD11 ILE 6 7.762 -0.032 -0.412 40 HD12 ILE 6 HD12 ILE 6 8.761 1.137 0.457 41 HD13 ILE 6 HD13 ILE 6 7.123 0.798 1.034 42 H ILE 7 HN ILE 7 3.853 2.477 -4.000 43 HA ILE 7 HA ILE 7 1.258 3.221 -2.715 44 HB ILE 7 HB ILE 7 1.876 3.168 -5.701 45 HG12 ILE 7 HG12 ILE 7 1.668 5.483 -3.790 46 HG13 ILE 7 HG13 ILE 7 3.102 4.989 -4.672 47 HG21 ILE 7 HG21 ILE 7 -0.478 2.634 -5.122 48 HG22 ILE 7 HG22 ILE 7 -0.570 4.088 -4.101 49 HG23 ILE 7 HG23 ILE 7 -0.398 4.209 -5.858 50 HD11 ILE 7 HD11 ILE 7 2.084 5.557 -6.816 51 HD12 ILE 7 HD12 ILE 7 0.599 6.098 -5.997 52 HD13 ILE 7 HD13 ILE 7 2.104 6.947 -5.703 53 H LEU 8 HN LEU 8 -0.334 1.652 -2.746 54 HA LEU 8 HA LEU 8 0.346 -1.007 -3.933 55 HB2 LEU 8 HB2 LEU 8 -1.474 -0.436 -1.575 56 HB3 LEU 8 HB3 LEU 8 -1.369 -1.971 -2.438 57 HG LEU 8 HG LEU 8 0.822 -0.712 -0.759 58 HD11 LEU 8 HD11 LEU 8 -0.857 -3.248 -0.454 59 HD12 LEU 8 HD12 LEU 8 -1.116 -1.740 0.440 60 HD13 LEU 8 HD13 LEU 8 0.384 -2.659 0.667 61 HD21 LEU 8 HD21 LEU 8 2.059 -2.838 -1.125 62 HD22 LEU 8 HD22 LEU 8 1.930 -1.857 -2.584 63 HD23 LEU 8 HD23 LEU 8 0.888 -3.282 -2.385 64 H ARG 9 HN ARG 9 -1.378 -2.037 -4.921 65 HA ARG 9 HA ARG 9 -3.591 -0.352 -6.033 66 HB2 ARG 9 HB2 ARG 9 -1.263 -1.800 -7.254 67 HB3 ARG 9 HB3 ARG 9 -2.769 -1.740 -8.192 68 HG2 ARG 9 HG2 ARG 9 -2.535 0.743 -8.192 69 HG3 ARG 9 HG3 ARG 9 -1.016 0.521 -7.275 70 HD2 ARG 9 HD2 ARG 9 0.133 0.029 -9.135 71 HD3 ARG 9 HD3 ARG 9 -0.940 -1.313 -9.512 72 HE ARG 9 HE ARG 9 -2.382 0.868 -10.351 73 HH11 ARG 9 HH11 ARG 9 0.845 -0.425 -11.178 74 HH12 ARG 9 HH12 ARG 9 0.911 0.411 -12.688 75 HH21 ARG 9 HH21 ARG 9 -2.363 1.748 -12.396 76 HH22 ARG 9 HH22 ARG 9 -1.024 1.507 -13.475 77 H ASN 10 HN ASN 10 -5.064 -1.782 -7.320 78 HA ASN 10 HA ASN 10 -6.593 -3.391 -7.406 79 HB2 ASN 10 HB2 ASN 10 -4.722 -4.633 -8.486 80 HB3 ASN 10 HB3 ASN 10 -4.375 -5.399 -6.930 81 HD21 ASN 10 HD21 ASN 10 -4.984 -7.540 -7.543 82 HD22 ASN 10 HD22 ASN 10 -6.639 -7.973 -7.962 83 H LEU 11 HN LEU 11 -6.351 -2.013 -5.048 84 HA LEU 11 HA LEU 11 -6.638 -3.888 -2.779 85 HB2 LEU 11 HB2 LEU 11 -7.011 -0.855 -2.931 86 HB3 LEU 11 HB3 LEU 11 -7.088 -1.840 -1.479 87 HG LEU 11 HG LEU 11 -4.656 -1.199 -3.200 88 HD11 LEU 11 HD11 LEU 11 -5.186 0.429 -1.485 89 HD12 LEU 11 HD12 LEU 11 -3.706 -0.418 -1.058 90 HD13 LEU 11 HD13 LEU 11 -5.224 -0.826 -0.234 91 HD21 LEU 11 HD21 LEU 11 -4.954 -3.409 -1.146 92 HD22 LEU 11 HD22 LEU 11 -3.375 -2.669 -1.495 93 HD23 LEU 11 HD23 LEU 11 -4.266 -3.450 -2.795 94 H ASN 12 HN ASN 12 -8.600 -4.938 -2.569 95 HA ASN 12 HA ASN 12 -10.799 -4.327 -4.325 96 HB2 ASN 12 HB2 ASN 12 -10.255 -6.320 -2.208 97 HB3 ASN 12 HB3 ASN 12 -11.808 -5.626 -1.982 98 HD21 ASN 12 HD21 ASN 12 -12.501 -7.833 -2.286 99 HD22 ASN 12 HD22 ASN 12 -12.708 -8.443 -3.919 100 HA PRO 13 HA PRO 13 -12.274 -0.871 -2.065 101 HB2 PRO 13 HB2 PRO 13 -15.002 -1.082 -2.507 102 HB3 PRO 13 HB3 PRO 13 -13.837 -0.474 -3.714 103 HG2 PRO 13 HG2 PRO 13 -15.122 -3.198 -3.428 104 HG3 PRO 13 HG3 PRO 13 -14.822 -2.245 -4.918 105 HD2 PRO 13 HD2 PRO 13 -13.202 -4.284 -4.143 106 HD3 PRO 13 HD3 PRO 13 -12.563 -2.834 -4.962 107 H HIS 14 HN HIS 14 -13.803 -4.015 -1.299 108 HA HIS 14 HA HIS 14 -14.776 -3.183 1.293 109 HB2 HIS 14 HB2 HIS 14 -14.316 -5.896 -0.021 110 HB3 HIS 14 HB3 HIS 14 -14.951 -5.702 1.614 111 HD1 HIS 14 HD1 HIS 14 -17.221 -4.018 1.749 112 HD2 HIS 14 HD2 HIS 14 -16.139 -5.774 -1.930 113 HE1 HIS 14 HE1 HIS 14 -19.271 -3.821 0.217 114 H SER 15 HN SER 15 -11.555 -3.836 0.213 115 HA SER 15 HA SER 15 -10.646 -4.898 2.804 116 HB2 SER 15 HB2 SER 15 -9.127 -3.808 0.387 117 HB3 SER 15 HB3 SER 15 -8.423 -4.680 1.747 118 HG SER 15 HG SER 15 -10.558 -5.953 0.506 119 H THR 16 HN THR 16 -9.278 -3.613 4.168 120 HA THR 16 HA THR 16 -8.692 -0.856 3.455 121 HB THR 16 HB THR 16 -8.796 -0.650 6.157 122 HG1 THR 16 HG1 THR 16 -11.141 -2.112 5.646 123 HG21 THR 16 HG21 THR 16 -11.050 0.384 5.828 124 HG22 THR 16 HG22 THR 16 -11.043 -0.305 4.183 125 HG23 THR 16 HG23 THR 16 -9.833 0.904 4.648 126 H MET 17 HN MET 17 -6.784 -0.180 4.915 127 HA MET 17 HA MET 17 -4.591 -1.931 4.734 128 HB2 MET 17 HB2 MET 17 -3.452 -0.369 6.178 129 HB3 MET 17 HB3 MET 17 -4.499 0.496 5.074 130 HG2 MET 17 HG2 MET 17 -6.237 0.618 6.945 131 HG3 MET 17 HG3 MET 17 -5.000 -0.039 8.013 132 HE1 MET 17 HE1 MET 17 -5.254 1.639 9.710 133 HE2 MET 17 HE2 MET 17 -5.066 3.401 9.506 134 HE3 MET 17 HE3 MET 17 -6.491 2.550 8.877 135 H ASP 18 HN ASP 18 -7.121 -1.525 7.259 136 HA ASP 18 HA ASP 18 -5.629 -2.781 9.286 137 HB2 ASP 18 HB2 ASP 18 -8.154 -1.606 9.103 138 HB3 ASP 18 HB3 ASP 18 -8.531 -3.282 9.473 139 H SER 19 HN SER 19 -7.327 -4.081 6.577 140 HA SER 19 HA SER 19 -7.270 -6.891 7.516 141 HB2 SER 19 HB2 SER 19 -7.790 -5.886 4.686 142 HB3 SER 19 HB3 SER 19 -8.259 -7.433 5.391 143 HG SER 19 HG SER 19 -9.986 -6.512 6.223 144 H ILE 20 HN ILE 20 -5.816 -4.899 4.909 145 HA ILE 20 HA ILE 20 -4.140 -6.919 3.915 146 HB ILE 20 HB ILE 20 -3.757 -3.921 3.736 147 HG12 ILE 20 HG12 ILE 20 -5.045 -5.617 1.569 148 HG13 ILE 20 HG13 ILE 20 -6.039 -5.032 2.886 149 HG21 ILE 20 HG21 ILE 20 -2.697 -6.144 1.930 150 HG22 ILE 20 HG22 ILE 20 -2.520 -4.403 1.620 151 HG23 ILE 20 HG23 ILE 20 -1.728 -5.136 3.010 152 HD11 ILE 20 HD11 ILE 20 -4.388 -3.249 1.076 153 HD12 ILE 20 HD12 ILE 20 -6.150 -3.489 1.019 154 HD13 ILE 20 HD13 ILE 20 -5.401 -2.709 2.425 155 H LEU 21 HN LEU 21 -3.440 -4.401 6.377 156 HA LEU 21 HA LEU 21 -0.660 -5.120 6.642 157 HB2 LEU 21 HB2 LEU 21 -2.601 -3.584 8.447 158 HB3 LEU 21 HB3 LEU 21 -0.930 -3.759 8.826 159 HG LEU 21 HG LEU 21 -1.932 -2.407 6.285 160 HD11 LEU 21 HD11 LEU 21 -0.895 -1.196 8.886 161 HD12 LEU 21 HD12 LEU 21 -2.576 -1.163 8.328 162 HD13 LEU 21 HD13 LEU 21 -1.334 -0.295 7.415 163 HD21 LEU 21 HD21 LEU 21 0.381 -3.320 6.072 164 HD22 LEU 21 HD22 LEU 21 0.843 -2.449 7.538 165 HD23 LEU 21 HD23 LEU 21 0.356 -1.554 6.075 166 H GLY 22 HN GLY 22 -3.494 -6.659 7.837 167 HA2 GLY 22 HA1 GLY 22 -2.086 -7.898 10.131 168 HA3 GLY 22 HA2 GLY 22 -3.778 -8.124 9.670 169 H ALA 23 HN ALA 23 -2.695 -8.544 6.771 170 HA ALA 23 HA ALA 23 -2.098 -11.458 7.088 171 HB1 ALA 23 HB1 ALA 23 -3.650 -11.683 5.120 172 HB2 ALA 23 HB2 ALA 23 -4.439 -11.089 6.599 173 HB3 ALA 23 HB3 ALA 23 -4.022 -9.949 5.303 174 H LEU 24 HN LEU 24 -1.158 -8.536 5.509 175 HA LEU 24 HA LEU 24 0.602 -10.024 3.664 176 HB2 LEU 24 HB2 LEU 24 -1.541 -8.522 2.889 177 HB3 LEU 24 HB3 LEU 24 -0.340 -7.255 2.974 178 HG LEU 24 HG LEU 24 -0.445 -9.769 1.263 179 HD11 LEU 24 HD11 LEU 24 0.009 -6.872 0.470 180 HD12 LEU 24 HD12 LEU 24 -1.547 -7.702 0.488 181 HD13 LEU 24 HD13 LEU 24 -0.279 -8.252 -0.615 182 HD21 LEU 24 HD21 LEU 24 1.756 -9.273 0.259 183 HD22 LEU 24 HD22 LEU 24 1.912 -9.711 1.955 184 HD23 LEU 24 HD23 LEU 24 2.011 -8.010 1.476 185 H ALA 25 HN ALA 25 1.224 -9.204 6.394 186 HA ALA 25 HA ALA 25 3.296 -7.109 5.892 187 HB1 ALA 25 HB1 ALA 25 1.456 -6.137 7.121 188 HB2 ALA 25 HB2 ALA 25 1.633 -7.415 8.369 189 HB3 ALA 25 HB3 ALA 25 2.945 -6.256 8.075 190 HA PRO 26 HA PRO 26 5.421 -10.706 7.873 191 HB2 PRO 26 HB2 PRO 26 6.598 -11.984 5.786 192 HB3 PRO 26 HB3 PRO 26 4.952 -12.402 6.355 193 HG2 PRO 26 HG2 PRO 26 5.710 -10.616 4.048 194 HG3 PRO 26 HG3 PRO 26 4.498 -11.916 4.090 195 HD2 PRO 26 HD2 PRO 26 3.942 -9.214 4.412 196 HD3 PRO 26 HD3 PRO 26 2.966 -10.529 5.118 197 H TYR 27 HN TYR 27 5.996 -8.392 5.248 198 HA TYR 27 HA TYR 27 8.893 -8.205 5.942 199 HB2 TYR 27 HB2 TYR 27 7.564 -7.717 3.251 200 HB3 TYR 27 HB3 TYR 27 9.278 -7.587 3.608 201 HD1 TYR 27 HD1 TYR 27 6.831 -9.710 2.223 202 HD2 TYR 27 HD2 TYR 27 10.376 -9.810 4.676 203 HE1 TYR 27 HE1 TYR 27 7.053 -12.108 1.761 204 HE2 TYR 27 HE2 TYR 27 10.655 -12.216 4.145 205 HH TYR 27 HH TYR 27 8.112 -14.100 2.972 206 H ALA 28 HN ALA 28 6.125 -6.237 4.649 207 HA ALA 28 HA ALA 28 7.424 -3.826 5.846 208 HB1 ALA 28 HB1 ALA 28 5.851 -2.566 4.308 209 HB2 ALA 28 HB2 ALA 28 7.168 -3.421 3.508 210 HB3 ALA 28 HB3 ALA 28 5.547 -4.108 3.476 211 H VAL 29 HN VAL 29 6.489 -3.180 7.689 212 HA VAL 29 HA VAL 29 3.819 -4.289 8.395 213 HB VAL 29 HB VAL 29 6.221 -4.299 10.239 214 HG11 VAL 29 HG11 VAL 29 3.926 -4.485 11.212 215 HG12 VAL 29 HG12 VAL 29 3.648 -5.941 10.231 216 HG13 VAL 29 HG13 VAL 29 4.907 -5.931 11.474 217 HG21 VAL 29 HG21 VAL 29 5.391 -6.478 8.292 218 HG22 VAL 29 HG22 VAL 29 6.996 -5.743 8.507 219 HG23 VAL 29 HG23 VAL 29 6.345 -6.804 9.751 220 H LEU 30 HN LEU 30 3.049 -2.222 7.883 221 HA LEU 30 HA LEU 30 4.323 0.133 9.028 222 HB2 LEU 30 HB2 LEU 30 1.726 -0.191 7.451 223 HB3 LEU 30 HB3 LEU 30 2.352 1.337 8.000 224 HG LEU 30 HG LEU 30 2.925 1.215 5.772 225 HD11 LEU 30 HD11 LEU 30 4.774 2.042 7.228 226 HD12 LEU 30 HD12 LEU 30 5.355 1.322 5.713 227 HD13 LEU 30 HD13 LEU 30 5.487 0.412 7.207 228 HD21 LEU 30 HD21 LEU 30 2.667 -1.217 5.370 229 HD22 LEU 30 HD22 LEU 30 4.287 -1.470 6.061 230 HD23 LEU 30 HD23 LEU 30 4.091 -0.500 4.595 231 H SER 31 HN SER 31 3.154 1.842 10.170 232 HA SER 31 HA SER 31 1.822 0.792 12.577 233 HB2 SER 31 HB2 SER 31 3.717 2.883 11.887 234 HB3 SER 31 HB3 SER 31 2.314 3.656 12.573 235 HG SER 31 HG SER 31 2.530 2.137 14.364 236 H SER 32 HN SER 32 0.405 0.877 9.993 237 HA SER 32 HA SER 32 -1.490 1.480 8.955 238 HB2 SER 32 HB2 SER 32 -2.295 2.041 11.816 239 HB3 SER 32 HB3 SER 32 -3.401 1.981 10.459 240 HG SER 32 HG SER 32 -1.867 -0.029 11.651 241 H SER 33 HN SER 33 -0.781 4.290 11.200 242 HA SER 33 HA SER 33 -2.195 6.214 9.635 243 HB2 SER 33 HB2 SER 33 -0.445 7.789 10.661 244 HB3 SER 33 HB3 SER 33 -1.551 6.981 11.745 245 HG SER 33 HG SER 33 -0.010 5.745 12.530 246 H ASN 34 HN ASN 34 0.955 4.721 9.194 247 HA ASN 34 HA ASN 34 2.088 6.455 7.269 248 HB2 ASN 34 HB2 ASN 34 2.234 3.416 7.221 249 HB3 ASN 34 HB3 ASN 34 3.418 4.505 6.540 250 HD21 ASN 34 HD21 ASN 34 4.783 5.839 8.076 251 HD22 ASN 34 HD22 ASN 34 4.937 5.248 9.707 252 H VAL 35 HN VAL 35 -0.673 4.298 6.975 253 HA VAL 35 HA VAL 35 -0.347 4.091 4.051 254 HB VAL 35 HB VAL 35 -2.101 2.410 5.871 255 HG11 VAL 35 HG11 VAL 35 -2.738 2.502 3.467 256 HG12 VAL 35 HG12 VAL 35 -1.097 2.022 3.015 257 HG13 VAL 35 HG13 VAL 35 -2.144 0.901 3.927 258 HG21 VAL 35 HG21 VAL 35 0.744 1.946 4.897 259 HG22 VAL 35 HG22 VAL 35 0.162 1.979 6.574 260 HG23 VAL 35 HG23 VAL 35 -0.316 0.656 5.512 261 H ARG 36 HN ARG 36 -1.169 5.954 3.334 262 HA ARG 36 HA ARG 36 -3.672 7.094 4.145 263 HB2 ARG 36 HB2 ARG 36 -1.458 7.741 2.350 264 HB3 ARG 36 HB3 ARG 36 -2.968 8.050 1.519 265 HG2 ARG 36 HG2 ARG 36 -2.479 9.065 4.340 266 HG3 ARG 36 HG3 ARG 36 -1.884 9.944 2.937 267 HD2 ARG 36 HD2 ARG 36 -4.729 9.111 2.717 268 HD3 ARG 36 HD3 ARG 36 -4.399 10.239 4.055 269 HE ARG 36 HE ARG 36 -3.134 11.294 1.788 270 HH11 ARG 36 HH11 ARG 36 -6.437 10.735 2.955 271 HH12 ARG 36 HH12 ARG 36 -7.185 11.769 1.792 272 HH21 ARG 36 HH21 ARG 36 -4.076 12.701 0.345 273 HH22 ARG 36 HH22 ARG 36 -5.826 12.834 0.158 274 H VAL 37 HN VAL 37 -5.207 5.454 4.101 275 HA VAL 37 HA VAL 37 -6.084 4.350 1.481 276 HB VAL 37 HB VAL 37 -7.131 3.740 4.269 277 HG11 VAL 37 HG11 VAL 37 -8.831 3.336 2.532 278 HG12 VAL 37 HG12 VAL 37 -7.653 2.392 1.598 279 HG13 VAL 37 HG13 VAL 37 -8.234 1.798 3.156 280 HG21 VAL 37 HG21 VAL 37 -5.249 2.115 2.521 281 HG22 VAL 37 HG22 VAL 37 -4.903 2.816 4.122 282 HG23 VAL 37 HG23 VAL 37 -6.088 1.511 3.953 283 H ILE 38 HN ILE 38 -6.825 6.294 0.600 284 HA ILE 38 HA ILE 38 -8.652 8.016 2.046 285 HB ILE 38 HB ILE 38 -8.579 7.998 -0.943 286 HG12 ILE 38 HG12 ILE 38 -6.584 9.746 -0.509 287 HG13 ILE 38 HG13 ILE 38 -6.181 8.614 0.764 288 HG21 ILE 38 HG21 ILE 38 -8.767 10.429 -0.558 289 HG22 ILE 38 HG22 ILE 38 -10.063 9.526 0.232 290 HG23 ILE 38 HG23 ILE 38 -8.714 10.159 1.193 291 HD11 ILE 38 HD11 ILE 38 -6.314 6.745 -1.010 292 HD12 ILE 38 HD12 ILE 38 -6.574 8.015 -2.211 293 HD13 ILE 38 HD13 ILE 38 -5.047 7.946 -1.289 294 H LYS 39 HN LYS 39 -10.790 7.456 2.436 295 HA LYS 39 HA LYS 39 -12.047 5.322 0.897 296 HB2 LYS 39 HB2 LYS 39 -13.248 7.192 2.985 297 HB3 LYS 39 HB3 LYS 39 -14.083 5.890 2.154 298 HG2 LYS 39 HG2 LYS 39 -13.489 4.663 3.905 299 HG3 LYS 39 HG3 LYS 39 -12.004 4.446 2.993 300 HD2 LYS 39 HD2 LYS 39 -10.825 6.047 4.345 301 HD3 LYS 39 HD3 LYS 39 -12.310 6.586 5.150 302 HE2 LYS 39 HE2 LYS 39 -11.350 3.700 5.246 303 HE3 LYS 39 HE3 LYS 39 -10.783 4.897 6.418 304 HZ1 LYS 39 HZ1 LYS 39 -12.932 3.425 6.810 305 HZ2 LYS 39 HZ2 LYS 39 -13.664 4.684 6.085 306 HZ3 LYS 39 HZ3 LYS 39 -12.775 4.930 7.456 307 H ASP 40 HN ASP 40 -13.910 5.517 -0.487 308 HA ASP 40 HA ASP 40 -14.145 7.861 -2.146 309 HB2 ASP 40 HB2 ASP 40 -15.847 5.393 -1.588 310 HB3 ASP 40 HB3 ASP 40 -16.204 6.623 -2.785 311 H LYS 41 HN LYS 41 -16.276 9.041 -2.277 312 HA LYS 41 HA LYS 41 -17.602 9.414 0.391 313 HB2 LYS 41 HB2 LYS 41 -17.198 11.370 -1.926 314 HB3 LYS 41 HB3 LYS 41 -18.143 11.703 -0.482 315 HG2 LYS 41 HG2 LYS 41 -16.043 11.205 0.908 316 HG3 LYS 41 HG3 LYS 41 -15.151 11.265 -0.613 317 HD2 LYS 41 HD2 LYS 41 -14.978 13.459 0.242 318 HD3 LYS 41 HD3 LYS 41 -16.253 13.578 -0.979 319 HE2 LYS 41 HE2 LYS 41 -17.985 13.427 0.786 320 HE3 LYS 41 HE3 LYS 41 -16.739 13.206 2.012 321 HZ1 LYS 41 HZ1 LYS 41 -15.939 15.442 1.518 322 HZ2 LYS 41 HZ2 LYS 41 -17.521 15.449 1.948 323 HZ3 LYS 41 HZ3 LYS 41 -17.135 15.618 0.368 324 H GLN 42 HN GLN 42 -18.348 7.626 -2.122 325 HA GLN 42 HA GLN 42 -21.241 8.265 -1.711 326 HB2 GLN 42 HB2 GLN 42 -19.896 7.736 -4.272 327 HB3 GLN 42 HB3 GLN 42 -21.600 7.301 -4.057 328 HG2 GLN 42 HG2 GLN 42 -22.220 9.567 -3.566 329 HG3 GLN 42 HG3 GLN 42 -20.540 10.095 -3.446 330 HE21 GLN 42 HE21 GLN 42 -19.156 9.675 -5.547 331 HE22 GLN 42 HE22 GLN 42 -19.976 10.187 -6.986 332 H THR 43 HN THR 43 -18.873 5.741 -2.798 333 HA THR 43 HA THR 43 -20.722 3.647 -2.120 334 HB THR 43 HB THR 43 -18.783 2.250 -2.680 335 HG1 THR 43 HG1 THR 43 -16.885 3.775 -3.449 336 HG21 THR 43 HG21 THR 43 -19.273 4.525 -4.634 337 HG22 THR 43 HG22 THR 43 -20.040 2.933 -4.593 338 HG23 THR 43 HG23 THR 43 -18.323 3.079 -5.008 339 H GLN 44 HN GLN 44 -18.385 5.463 -0.346 340 HA GLN 44 HA GLN 44 -17.501 5.434 1.696 341 HB2 GLN 44 HB2 GLN 44 -19.524 3.291 2.455 342 HB3 GLN 44 HB3 GLN 44 -18.623 4.300 3.549 343 HG2 GLN 44 HG2 GLN 44 -20.803 5.181 1.651 344 HG3 GLN 44 HG3 GLN 44 -20.908 5.084 3.404 345 HE21 GLN 44 HE21 GLN 44 -21.293 7.432 1.592 346 HE22 GLN 44 HE22 GLN 44 -20.222 8.676 2.204 347 H LEU 45 HN LEU 45 -16.751 3.402 -0.478 348 HA LEU 45 HA LEU 45 -15.318 1.320 1.094 349 HB2 LEU 45 HB2 LEU 45 -15.553 1.840 -1.881 350 HB3 LEU 45 HB3 LEU 45 -14.834 0.435 -1.125 351 HG LEU 45 HG LEU 45 -17.746 1.072 -0.626 352 HD11 LEU 45 HD11 LEU 45 -18.493 0.089 -2.546 353 HD12 LEU 45 HD12 LEU 45 -16.993 -0.746 -2.891 354 HD13 LEU 45 HD13 LEU 45 -17.079 1.019 -3.114 355 HD21 LEU 45 HD21 LEU 45 -16.308 -1.609 -0.673 356 HD22 LEU 45 HD22 LEU 45 -17.976 -1.290 -0.184 357 HD23 LEU 45 HD23 LEU 45 -16.637 -0.657 0.785 358 H ASN 46 HN ASN 46 -13.049 1.009 -0.467 359 HA ASN 46 HA ASN 46 -11.619 3.589 -0.046 360 HB2 ASN 46 HB2 ASN 46 -9.618 2.449 0.121 361 HB3 ASN 46 HB3 ASN 46 -10.790 1.436 0.975 362 HD21 ASN 46 HD21 ASN 46 -10.595 -0.797 0.591 363 HD22 ASN 46 HD22 ASN 46 -10.010 -1.409 -0.903 364 H ARG 47 HN ARG 47 -9.944 4.116 -1.672 365 HA ARG 47 HA ARG 47 -11.330 4.471 -4.184 366 HB2 ARG 47 HB2 ARG 47 -8.837 5.609 -2.936 367 HB3 ARG 47 HB3 ARG 47 -9.107 5.824 -4.665 368 HG2 ARG 47 HG2 ARG 47 -11.366 6.654 -4.307 369 HG3 ARG 47 HG3 ARG 47 -11.134 6.580 -2.533 370 HD2 ARG 47 HD2 ARG 47 -9.856 8.404 -2.519 371 HD3 ARG 47 HD3 ARG 47 -9.039 7.967 -4.044 372 HE ARG 47 HE ARG 47 -11.825 8.874 -4.268 373 HH11 ARG 47 HH11 ARG 47 -8.389 9.827 -4.500 374 HH12 ARG 47 HH12 ARG 47 -8.686 11.150 -5.531 375 HH21 ARG 47 HH21 ARG 47 -12.244 10.805 -5.398 376 HH22 ARG 47 HH22 ARG 47 -10.979 11.929 -5.735 377 H GLY 48 HN GLY 48 -9.797 1.735 -3.492 378 HA2 GLY 48 HA1 GLY 48 -8.763 0.064 -4.487 379 HA3 GLY 48 HA2 GLY 48 -8.952 0.886 -6.035 380 H PHE 49 HN PHE 49 -7.092 2.746 -3.779 381 HA PHE 49 HA PHE 49 -4.633 1.229 -4.041 382 HB2 PHE 49 HB2 PHE 49 -3.331 3.210 -4.867 383 HB3 PHE 49 HB3 PHE 49 -4.395 2.487 -6.054 384 HD1 PHE 49 HD1 PHE 49 -4.201 5.383 -3.601 385 HD2 PHE 49 HD2 PHE 49 -5.910 3.803 -7.214 386 HE1 PHE 49 HE1 PHE 49 -5.260 7.571 -4.061 387 HE2 PHE 49 HE2 PHE 49 -7.020 5.996 -7.648 388 HZ PHE 49 HZ PHE 49 -6.706 7.873 -6.047 389 H ALA 50 HN ALA 50 -2.898 2.375 -2.686 390 HA ALA 50 HA ALA 50 -3.804 4.401 -0.827 391 HB1 ALA 50 HB1 ALA 50 -3.096 1.620 0.238 392 HB2 ALA 50 HB2 ALA 50 -3.328 3.080 1.221 393 HB3 ALA 50 HB3 ALA 50 -4.691 2.396 0.316 394 H PHE 51 HN PHE 51 -1.967 5.145 0.512 395 HA PHE 51 HA PHE 51 0.613 4.876 -0.992 396 HB2 PHE 51 HB2 PHE 51 -0.633 7.285 0.406 397 HB3 PHE 51 HB3 PHE 51 0.913 7.262 -0.378 398 HD1 PHE 51 HD1 PHE 51 1.074 7.224 -2.852 399 HD2 PHE 51 HD2 PHE 51 -2.668 7.667 -0.773 400 HE1 PHE 51 HE1 PHE 51 0.014 8.059 -4.939 401 HE2 PHE 51 HE2 PHE 51 -3.671 8.656 -2.804 402 HZ PHE 51 HZ PHE 51 -2.361 8.770 -4.920 403 H ILE 52 HN ILE 52 2.192 4.076 0.311 404 HA ILE 52 HA ILE 52 2.058 4.243 3.243 405 HB ILE 52 HB ILE 52 4.037 2.992 1.350 406 HG12 ILE 52 HG12 ILE 52 2.141 1.475 3.161 407 HG13 ILE 52 HG13 ILE 52 1.620 1.986 1.571 408 HG21 ILE 52 HG21 ILE 52 5.238 3.497 3.345 409 HG22 ILE 52 HG22 ILE 52 3.925 2.879 4.382 410 HG23 ILE 52 HG23 ILE 52 4.899 1.774 3.385 411 HD11 ILE 52 HD11 ILE 52 3.381 0.670 0.502 412 HD12 ILE 52 HD12 ILE 52 4.005 0.165 2.090 413 HD13 ILE 52 HD13 ILE 52 2.393 -0.340 1.563 414 H GLN 53 HN GLN 53 3.373 5.765 4.393 415 HA GLN 53 HA GLN 53 5.457 7.250 2.900 416 HB2 GLN 53 HB2 GLN 53 3.295 8.345 4.751 417 HB3 GLN 53 HB3 GLN 53 4.872 9.087 4.596 418 HG2 GLN 53 HG2 GLN 53 3.878 10.349 3.037 419 HG3 GLN 53 HG3 GLN 53 4.320 9.012 1.979 420 HE21 GLN 53 HE21 GLN 53 2.609 7.327 1.648 421 HE22 GLN 53 HE22 GLN 53 0.914 7.730 1.897 422 H LEU 54 HN LEU 54 6.752 5.577 3.611 423 HA LEU 54 HA LEU 54 7.509 5.293 6.445 424 HB2 LEU 54 HB2 LEU 54 8.488 4.253 3.788 425 HB3 LEU 54 HB3 LEU 54 9.570 4.178 5.159 426 HG LEU 54 HG LEU 54 6.790 2.983 5.200 427 HD11 LEU 54 HD11 LEU 54 9.436 1.623 4.512 428 HD12 LEU 54 HD12 LEU 54 8.083 1.917 3.395 429 HD13 LEU 54 HD13 LEU 54 7.877 0.803 4.747 430 HD21 LEU 54 HD21 LEU 54 7.744 3.329 7.431 431 HD22 LEU 54 HD22 LEU 54 9.265 2.543 6.940 432 HD23 LEU 54 HD23 LEU 54 7.764 1.611 7.057 433 H SER 55 HN SER 55 9.993 5.680 6.782 434 HA SER 55 HA SER 55 10.896 8.356 6.270 435 HB2 SER 55 HB2 SER 55 11.834 5.953 7.588 436 HB3 SER 55 HB3 SER 55 13.062 6.426 6.420 437 HG SER 55 HG SER 55 13.541 7.465 8.220 438 H THR 56 HN THR 56 12.570 8.956 4.639 439 HA THR 56 HA THR 56 11.888 8.124 2.075 440 HB THR 56 HB THR 56 14.019 9.354 1.438 441 HG1 THR 56 HG1 THR 56 15.120 10.378 3.025 442 HG21 THR 56 HG21 THR 56 13.101 11.480 1.971 443 HG22 THR 56 HG22 THR 56 12.287 10.877 3.442 444 HG23 THR 56 HG23 THR 56 11.714 10.388 1.840 445 H ILE 57 HN ILE 57 14.832 7.306 3.896 446 HA ILE 57 HA ILE 57 15.839 5.519 1.931 447 HB ILE 57 HB ILE 57 16.455 5.403 4.904 448 HG12 ILE 57 HG12 ILE 57 16.660 7.721 4.455 449 HG13 ILE 57 HG13 ILE 57 18.266 7.041 4.483 450 HG21 ILE 57 HG21 ILE 57 18.028 4.711 2.396 451 HG22 ILE 57 HG22 ILE 57 18.722 4.753 4.031 452 HG23 ILE 57 HG23 ILE 57 17.450 3.605 3.651 453 HD11 ILE 57 HD11 ILE 57 18.302 7.054 1.981 454 HD12 ILE 57 HD12 ILE 57 16.698 7.812 1.971 455 HD13 ILE 57 HD13 ILE 57 18.064 8.670 2.675 456 H GLU 58 HN GLU 58 13.907 4.999 4.860 457 HA GLU 58 HA GLU 58 13.890 2.177 4.882 458 HB2 GLU 58 HB2 GLU 58 11.815 4.200 5.789 459 HB3 GLU 58 HB3 GLU 58 11.702 2.471 6.130 460 HG2 GLU 58 HG2 GLU 58 14.101 4.186 6.948 461 HG3 GLU 58 HG3 GLU 58 12.682 3.917 7.951 462 H ALA 59 HN ALA 59 11.567 4.451 3.398 463 HA ALA 59 HA ALA 59 9.924 2.648 2.024 464 HB1 ALA 59 HB1 ALA 59 9.501 4.572 0.480 465 HB2 ALA 59 HB2 ALA 59 9.544 5.135 2.175 466 HB3 ALA 59 HB3 ALA 59 10.917 5.394 1.133 467 H ALA 60 HN ALA 60 12.944 4.231 0.839 468 HA ALA 60 HA ALA 60 12.886 2.969 -1.683 469 HB1 ALA 60 HB1 ALA 60 15.255 3.774 -1.832 470 HB2 ALA 60 HB2 ALA 60 14.186 5.018 -1.150 471 HB3 ALA 60 HB3 ALA 60 15.258 4.076 -0.091 472 H GLN 61 HN GLN 61 14.483 1.897 1.340 473 HA GLN 61 HA GLN 61 15.836 -0.382 0.183 474 HB2 GLN 61 HB2 GLN 61 14.934 0.371 3.006 475 HB3 GLN 61 HB3 GLN 61 15.771 -1.138 2.658 476 HG2 GLN 61 HG2 GLN 61 17.710 0.055 1.793 477 HG3 GLN 61 HG3 GLN 61 16.934 1.617 2.058 478 HE21 GLN 61 HE21 GLN 61 15.848 1.466 4.605 479 HE22 GLN 61 HE22 GLN 61 17.017 1.106 5.796 480 H LEU 62 HN LEU 62 12.839 -0.062 2.126 481 HA LEU 62 HA LEU 62 12.212 -2.780 2.124 482 HB2 LEU 62 HB2 LEU 62 11.214 -0.559 3.376 483 HB3 LEU 62 HB3 LEU 62 9.965 -0.786 2.182 484 HG LEU 62 HG LEU 62 9.116 -1.871 3.900 485 HD11 LEU 62 HD11 LEU 62 9.254 -4.314 3.774 486 HD12 LEU 62 HD12 LEU 62 10.721 -4.209 2.799 487 HD13 LEU 62 HD13 LEU 62 9.201 -3.533 2.194 488 HD21 LEU 62 HD21 LEU 62 10.342 -3.171 5.652 489 HD22 LEU 62 HD22 LEU 62 10.997 -1.537 5.478 490 HD23 LEU 62 HD23 LEU 62 11.860 -2.912 4.766 491 H LEU 63 HN LEU 63 11.168 -0.176 -0.113 492 HA LEU 63 HA LEU 63 9.282 -1.588 -1.598 493 HB2 LEU 63 HB2 LEU 63 9.725 0.811 -1.985 494 HB3 LEU 63 HB3 LEU 63 11.369 0.442 -2.488 495 HG LEU 63 HG LEU 63 10.349 -0.899 -4.444 496 HD11 LEU 63 HD21 LEU 63 7.995 -1.012 -3.575 497 HD12 LEU 63 HD22 LEU 63 8.094 -0.267 -5.179 498 HD13 LEU 63 HD23 LEU 63 7.888 0.756 -3.754 499 HD21 LEU 63 HD11 LEU 63 11.490 1.180 -4.741 500 HD22 LEU 63 HD12 LEU 63 10.031 2.053 -4.270 501 HD23 LEU 63 HD13 LEU 63 10.058 1.103 -5.784 502 H GLN 64 HN GLN 64 12.882 -1.633 -1.939 503 HA GLN 64 HA GLN 64 12.785 -3.108 -4.438 504 HB2 GLN 64 HB2 GLN 64 14.983 -2.547 -2.409 505 HB3 GLN 64 HB3 GLN 64 15.257 -3.387 -3.943 506 HG2 GLN 64 HG2 GLN 64 14.161 -0.554 -3.680 507 HG3 GLN 64 HG3 GLN 64 15.794 -1.030 -4.129 508 HE21 GLN 64 HE21 GLN 64 12.542 -0.501 -5.280 509 HE22 GLN 64 HE22 GLN 64 12.768 -1.008 -6.924 510 H ILE 65 HN ILE 65 12.712 -3.976 -1.113 511 HA ILE 65 HA ILE 65 13.189 -6.809 -1.499 512 HB ILE 65 HB ILE 65 11.590 -5.466 0.704 513 HG12 ILE 65 HG12 ILE 65 14.485 -6.436 0.621 514 HG13 ILE 65 HG13 ILE 65 14.010 -4.742 0.511 515 HG21 ILE 65 HG21 ILE 65 11.914 -7.593 1.906 516 HG22 ILE 65 HG22 ILE 65 10.974 -7.822 0.437 517 HG23 ILE 65 HG23 ILE 65 12.682 -8.295 0.467 518 HD11 ILE 65 HD11 ILE 65 13.657 -6.541 2.931 519 HD12 ILE 65 HD12 ILE 65 14.736 -5.149 2.738 520 HD13 ILE 65 HD13 ILE 65 12.981 -4.900 2.786 521 H LEU 66 HN LEU 66 10.155 -4.840 -1.312 522 HA LEU 66 HA LEU 66 8.460 -6.919 -2.157 523 HB2 LEU 66 HB2 LEU 66 8.077 -3.917 -2.192 524 HB3 LEU 66 HB3 LEU 66 6.860 -5.028 -2.784 525 HG LEU 66 HG LEU 66 6.197 -4.502 -0.611 526 HD11 LEU 66 HD11 LEU 66 6.114 -7.000 -1.152 527 HD12 LEU 66 HD12 LEU 66 6.124 -6.574 0.575 528 HD13 LEU 66 HD13 LEU 66 7.601 -7.165 -0.185 529 HD21 LEU 66 HD21 LEU 66 8.263 -3.584 0.194 530 HD22 LEU 66 HD22 LEU 66 8.897 -5.224 0.477 531 HD23 LEU 66 HD23 LEU 66 7.467 -4.671 1.361 532 H GLN 67 HN GLN 67 10.561 -5.020 -4.151 533 HA GLN 67 HA GLN 67 9.006 -5.705 -6.586 534 HB2 GLN 67 HB2 GLN 67 11.448 -4.015 -6.091 535 HB3 GLN 67 HB3 GLN 67 10.704 -4.243 -7.672 536 HG2 GLN 67 HG2 GLN 67 8.959 -3.175 -5.413 537 HG3 GLN 67 HG3 GLN 67 10.122 -2.173 -6.210 538 HE21 GLN 67 HE21 GLN 67 9.166 -1.069 -7.872 539 HE22 GLN 67 HE22 GLN 67 7.578 -1.571 -8.450 540 H ALA 68 HN ALA 68 10.995 -7.562 -4.787 541 HA ALA 68 HA ALA 68 11.833 -9.096 -7.163 542 HB1 ALA 68 HB1 ALA 68 13.838 -8.037 -5.138 543 HB2 ALA 68 HB2 ALA 68 14.204 -9.215 -6.421 544 HB3 ALA 68 HB3 ALA 68 13.706 -7.562 -6.831 545 H LEU 69 HN LEU 69 10.943 -9.044 -3.831 546 HA LEU 69 HA LEU 69 11.816 -11.614 -3.008 547 HB2 LEU 69 HB2 LEU 69 10.546 -11.309 -1.110 548 HB3 LEU 69 HB3 LEU 69 11.388 -9.852 -1.509 549 HG LEU 69 HG LEU 69 9.607 -8.760 -1.293 550 HD11 LEU 69 HD11 LEU 69 9.088 -8.643 -3.632 551 HD12 LEU 69 HD12 LEU 69 7.563 -8.775 -2.746 552 HD13 LEU 69 HD13 LEU 69 8.205 -10.138 -3.605 553 HD21 LEU 69 HD21 LEU 69 7.430 -9.678 -0.596 554 HD22 LEU 69 HD22 LEU 69 8.833 -10.367 0.243 555 HD23 LEU 69 HD23 LEU 69 8.009 -11.299 -1.033 556 H HIS 70 HN HIS 70 9.454 -12.727 -1.912 557 HA HIS 70 HA HIS 70 8.265 -14.154 -4.108 558 HB2 HIS 70 HB2 HIS 70 7.822 -14.039 -1.110 559 HB3 HIS 70 HB3 HIS 70 6.622 -14.813 -2.133 560 HD1 HIS 70 HD1 HIS 70 7.496 -17.016 -0.585 561 HD2 HIS 70 HD2 HIS 70 9.940 -15.502 -3.674 562 HE1 HIS 70 HE1 HIS 70 9.159 -18.842 -1.159 563 HA PRO 71 HA PRO 71 5.274 -11.403 -5.363 564 HB2 PRO 71 HB2 PRO 71 3.184 -13.063 -6.198 565 HB3 PRO 71 HB3 PRO 71 4.699 -12.779 -7.099 566 HG2 PRO 71 HG2 PRO 71 4.018 -15.049 -5.225 567 HG3 PRO 71 HG3 PRO 71 4.833 -15.133 -6.820 568 HD2 PRO 71 HD2 PRO 71 6.216 -15.228 -4.504 569 HD3 PRO 71 HD3 PRO 71 6.878 -14.256 -5.861 570 HA PRO 72 HA PRO 72 2.523 -10.327 -2.240 571 HB2 PRO 72 HB2 PRO 72 0.396 -9.059 -3.534 572 HB3 PRO 72 HB3 PRO 72 2.017 -8.355 -3.244 573 HG2 PRO 72 HG2 PRO 72 0.952 -9.661 -5.748 574 HG3 PRO 72 HG3 PRO 72 1.976 -8.201 -5.590 575 HD2 PRO 72 HD2 PRO 72 2.970 -10.649 -6.253 576 HD3 PRO 72 HD3 PRO 72 3.894 -9.481 -5.273 577 H LEU 73 HN LEU 73 0.513 -10.605 -1.158 578 HA LEU 73 HA LEU 73 -0.699 -13.237 -1.730 579 HB2 LEU 73 HB2 LEU 73 0.967 -12.866 0.108 580 HB3 LEU 73 HB3 LEU 73 -0.238 -11.895 0.943 581 HG LEU 73 HG LEU 73 -0.854 -14.727 0.018 582 HD11 LEU 73 HD11 LEU 73 1.201 -14.884 1.350 583 HD12 LEU 73 HD12 LEU 73 -0.173 -15.475 2.303 584 HD13 LEU 73 HD13 LEU 73 0.495 -13.857 2.604 585 HD21 LEU 73 HD21 LEU 73 -2.671 -13.177 0.866 586 HD22 LEU 73 HD22 LEU 73 -1.864 -13.158 2.433 587 HD23 LEU 73 HD23 LEU 73 -2.505 -14.681 1.764 588 H THR 74 HN THR 74 -2.863 -13.288 -2.125 589 HA THR 74 HA THR 74 -4.433 -10.824 -1.977 590 HB THR 74 HB THR 74 -4.855 -12.111 -3.909 591 HG1 THR 74 HG1 THR 74 -6.942 -12.811 -3.666 592 HG21 THR 74 HG21 THR 74 -4.953 -14.544 -2.151 593 HG22 THR 74 HG22 THR 74 -3.999 -14.191 -3.641 594 HG23 THR 74 HG23 THR 74 -5.747 -14.473 -3.729 595 H ILE 75 HN ILE 75 -6.077 -10.413 -0.586 596 HA ILE 75 HA ILE 75 -6.630 -12.322 1.644 597 HB ILE 75 HB ILE 75 -6.530 -9.364 2.168 598 HG12 ILE 75 HG12 ILE 75 -4.134 -10.010 3.188 599 HG13 ILE 75 HG13 ILE 75 -4.077 -11.087 1.826 600 HG21 ILE 75 HG21 ILE 75 -7.473 -10.996 3.842 601 HG22 ILE 75 HG22 ILE 75 -5.859 -11.709 3.956 602 HG23 ILE 75 HG23 ILE 75 -6.142 -10.014 4.430 603 HD11 ILE 75 HD11 ILE 75 -4.503 -8.061 1.867 604 HD12 ILE 75 HD12 ILE 75 -3.061 -8.944 1.361 605 HD13 ILE 75 HD13 ILE 75 -4.523 -9.030 0.361 606 H ASP 76 HN ASP 76 -8.063 -11.504 -0.898 607 HA ASP 76 HA ASP 76 -10.747 -11.352 0.038 608 HB2 ASP 76 HB2 ASP 76 -9.805 -8.875 0.364 609 HB3 ASP 76 HB3 ASP 76 -10.069 -8.766 -1.346 610 H GLY 77 HN GLY 77 -8.987 -12.738 -1.972 611 HA2 GLY 77 HA1 GLY 77 -9.014 -13.521 -4.063 612 HA3 GLY 77 HA2 GLY 77 -10.622 -12.840 -4.258 613 H LYS 78 HN LYS 78 -7.909 -10.665 -3.575 614 HA LYS 78 HA LYS 78 -7.623 -9.921 -6.426 615 HB2 LYS 78 HB2 LYS 78 -7.064 -7.618 -5.207 616 HB3 LYS 78 HB3 LYS 78 -8.681 -8.035 -5.704 617 HG2 LYS 78 HG2 LYS 78 -8.763 -7.078 -3.594 618 HG3 LYS 78 HG3 LYS 78 -9.291 -8.707 -3.418 619 HD2 LYS 78 HD2 LYS 78 -7.397 -9.271 -2.109 620 HD3 LYS 78 HD3 LYS 78 -6.454 -7.918 -2.777 621 HE2 LYS 78 HE2 LYS 78 -7.412 -6.310 -1.450 622 HE3 LYS 78 HE3 LYS 78 -8.896 -7.224 -1.243 623 HZ1 LYS 78 HZ1 LYS 78 -7.787 -8.687 0.270 624 HZ2 LYS 78 HZ2 LYS 78 -7.867 -7.195 0.786 625 HZ3 LYS 78 HZ3 LYS 78 -6.408 -7.745 0.223 626 H THR 79 HN THR 79 -5.475 -10.278 -7.096 627 HA THR 79 HA THR 79 -3.503 -10.562 -4.957 628 HB THR 79 HB THR 79 -2.831 -10.558 -7.897 629 HG1 THR 79 HG1 THR 79 -4.204 -12.248 -7.877 630 HG21 THR 79 HG21 THR 79 -1.056 -10.485 -6.081 631 HG22 THR 79 HG22 THR 79 -0.982 -11.957 -7.042 632 HG23 THR 79 HG23 THR 79 -1.741 -11.997 -5.418 633 H ILE 80 HN ILE 80 -2.574 -8.824 -4.072 634 HA ILE 80 HA ILE 80 -3.081 -6.177 -4.924 635 HB ILE 80 HB ILE 80 -0.850 -7.199 -3.116 636 HG12 ILE 80 HG12 ILE 80 -2.821 -8.195 -2.228 637 HG13 ILE 80 HG13 ILE 80 -2.435 -6.810 -1.227 638 HG21 ILE 80 HG21 ILE 80 -2.196 -4.479 -3.188 639 HG22 ILE 80 HG22 ILE 80 -1.141 -5.056 -1.879 640 HG23 ILE 80 HG23 ILE 80 -0.490 -4.861 -3.492 641 HD11 ILE 80 HD11 ILE 80 -4.193 -5.485 -2.255 642 HD12 ILE 80 HD12 ILE 80 -4.616 -6.824 -3.327 643 HD13 ILE 80 HD13 ILE 80 -4.815 -6.972 -1.559 644 H ASN 81 HN ASN 81 -1.441 -4.523 -5.584 645 HA ASN 81 HA ASN 81 0.874 -5.561 -7.146 646 HB2 ASN 81 HB2 ASN 81 -1.374 -3.689 -7.925 647 HB3 ASN 81 HB3 ASN 81 0.250 -3.281 -8.438 648 HD21 ASN 81 HD21 ASN 81 -0.299 -6.717 -8.318 649 HD22 ASN 81 HD22 ASN 81 -0.264 -6.809 -10.065 650 H VAL 82 HN VAL 82 2.637 -4.012 -7.165 651 HA VAL 82 HA VAL 82 2.550 -1.970 -5.007 652 HB VAL 82 HB VAL 82 4.902 -3.729 -5.836 653 HG11 VAL 82 HG11 VAL 82 5.675 -1.550 -4.976 654 HG12 VAL 82 HG12 VAL 82 4.615 -1.710 -3.557 655 HG13 VAL 82 HG13 VAL 82 5.996 -2.808 -3.795 656 HG21 VAL 82 HG21 VAL 82 3.295 -5.113 -4.620 657 HG22 VAL 82 HG22 VAL 82 4.647 -4.744 -3.560 658 HG23 VAL 82 HG23 VAL 82 3.119 -3.870 -3.363 659 H GLU 83 HN GLU 83 3.537 -0.027 -5.490 660 HA GLU 83 HA GLU 83 4.857 0.458 -8.067 661 HB2 GLU 83 HB2 GLU 83 2.219 1.544 -7.079 662 HB3 GLU 83 HB3 GLU 83 3.305 2.735 -7.775 663 HG2 GLU 83 HG2 GLU 83 2.562 0.208 -9.250 664 HG3 GLU 83 HG3 GLU 83 1.542 1.649 -9.260 665 H PHE 84 HN PHE 84 5.725 2.731 -7.948 666 HA PHE 84 HA PHE 84 6.296 3.674 -5.207 667 HB2 PHE 84 HB2 PHE 84 8.229 2.385 -6.386 668 HB3 PHE 84 HB3 PHE 84 8.309 3.743 -7.484 669 HD1 PHE 84 HD1 PHE 84 7.814 4.213 -3.756 670 HD2 PHE 84 HD2 PHE 84 10.642 3.998 -6.981 671 HE1 PHE 84 HE1 PHE 84 9.596 4.940 -2.237 672 HE2 PHE 84 HE2 PHE 84 12.405 4.847 -5.498 673 HZ PHE 84 HZ PHE 84 11.907 5.286 -3.083 674 H ALA 85 HN ALA 85 6.551 6.011 -5.219 675 HA ALA 85 HA ALA 85 6.265 7.475 -7.758 676 HB1 ALA 85 HB1 ALA 85 4.322 7.825 -5.430 677 HB2 ALA 85 HB2 ALA 85 4.493 8.939 -6.813 678 HB3 ALA 85 HB3 ALA 85 3.939 7.271 -7.079 679 H LYS 86 HN LYS 86 8.536 7.593 -7.167 680 HA LYS 86 HA LYS 86 9.210 8.967 -4.649 681 HB2 LYS 86 HB2 LYS 86 10.335 6.939 -5.660 682 HB3 LYS 86 HB3 LYS 86 11.044 7.999 -6.884 683 HG2 LYS 86 HG2 LYS 86 11.516 7.892 -3.905 684 HG3 LYS 86 HG3 LYS 86 12.673 7.654 -5.213 685 HD2 LYS 86 HD2 LYS 86 12.315 10.160 -5.736 686 HD3 LYS 86 HD3 LYS 86 11.524 10.261 -4.154 687 HE2 LYS 86 HE2 LYS 86 13.926 8.741 -3.794 688 HE3 LYS 86 HE3 LYS 86 14.371 10.098 -4.830 689 HZ1 LYS 86 HZ1 LYS 86 13.130 10.221 -2.152 690 HZ2 LYS 86 HZ2 LYS 86 13.424 11.578 -3.103 691 HZ3 LYS 86 HZ3 LYS 86 14.639 10.614 -2.526 692 H GLY 87 HN GLY 87 8.427 11.095 -4.907 693 HA2 GLY 87 HA1 GLY 87 8.886 12.624 -7.329 694 HA3 GLY 87 HA2 GLY 87 8.256 13.198 -5.772 695 H SER 88 HN SER 88 11.225 12.298 -7.520 696 HA SER 88 HA SER 88 13.004 13.805 -5.734 697 HB2 SER 88 HB2 SER 88 13.367 12.543 -8.395 698 HB3 SER 88 HB3 SER 88 14.625 13.508 -7.606 699 HG SER 88 HG SER 88 14.732 12.016 -5.969 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 8.620 18.522 -0.108 2 HA2 GLY 1 HA1 GLY 1 7.349 17.525 1.751 3 HA3 GLY 1 HA2 GLY 1 6.447 17.482 0.225 4 H HIS 2 HN HIS 2 5.727 15.529 -0.462 5 HA HIS 2 HA HIS 2 5.953 13.180 1.202 6 HB2 HIS 2 HB2 HIS 2 4.626 13.741 -1.487 7 HB3 HIS 2 HB3 HIS 2 4.531 12.197 -0.652 8 HD1 HIS 2 HD1 HIS 2 1.936 12.280 -0.457 9 HD2 HIS 2 HD2 HIS 2 3.986 15.488 1.382 10 HE1 HIS 2 HE1 HIS 2 0.242 13.519 0.977 11 H MET 3 HN MET 3 8.436 13.211 0.864 12 HA MET 3 HA MET 3 9.558 11.968 -1.536 13 HB2 MET 3 HB2 MET 3 10.485 12.043 1.376 14 HB3 MET 3 HB3 MET 3 11.379 11.362 0.018 15 HG2 MET 3 HG2 MET 3 11.292 13.588 -1.123 16 HG3 MET 3 HG3 MET 3 10.615 14.262 0.362 17 HE1 MET 3 HE1 MET 3 12.443 16.052 0.498 18 HE2 MET 3 HE2 MET 3 14.182 15.740 0.312 19 HE3 MET 3 HE3 MET 3 13.082 15.440 -1.047 20 H ASP 4 HN ASP 4 10.015 9.857 -1.792 21 HA ASP 4 HA ASP 4 9.528 7.698 -2.019 22 HB2 ASP 4 HB2 ASP 4 10.129 7.202 0.726 23 HB3 ASP 4 HB3 ASP 4 10.883 6.570 -0.718 24 H THR 5 HN THR 5 7.676 7.579 -2.353 25 HA THR 5 HA THR 5 5.668 6.667 -0.361 26 HB THR 5 HB THR 5 4.932 8.208 -2.857 27 HG1 THR 5 HG1 THR 5 5.836 9.386 -1.004 28 HG21 THR 5 HG21 THR 5 2.658 8.183 -1.876 29 HG22 THR 5 HG22 THR 5 3.231 7.061 -0.614 30 HG23 THR 5 HG23 THR 5 3.214 6.568 -2.316 31 H ILE 6 HN ILE 6 5.562 4.515 -0.655 32 HA ILE 6 HA ILE 6 5.731 3.247 -3.288 33 HB ILE 6 HB ILE 6 5.040 1.980 -0.595 34 HG12 ILE 6 HG12 ILE 6 7.721 2.589 -1.888 35 HG13 ILE 6 HG13 ILE 6 7.152 2.886 -0.238 36 HG21 ILE 6 HG21 ILE 6 5.591 -0.115 -1.742 37 HG22 ILE 6 HG22 ILE 6 4.389 0.740 -2.706 38 HG23 ILE 6 HG23 ILE 6 6.096 0.759 -3.187 39 HD11 ILE 6 HD11 ILE 6 7.222 0.416 0.158 40 HD12 ILE 6 HD12 ILE 6 8.015 0.237 -1.423 41 HD13 ILE 6 HD13 ILE 6 8.796 1.173 -0.135 42 H ILE 7 HN ILE 7 3.852 2.992 -4.475 43 HA ILE 7 HA ILE 7 1.254 3.620 -3.146 44 HB ILE 7 HB ILE 7 1.758 3.533 -6.134 45 HG12 ILE 7 HG12 ILE 7 1.718 5.888 -4.224 46 HG13 ILE 7 HG13 ILE 7 3.061 5.393 -5.239 47 HG21 ILE 7 HG21 ILE 7 -0.556 4.817 -4.638 48 HG22 ILE 7 HG22 ILE 7 -0.427 4.466 -6.382 49 HG23 ILE 7 HG23 ILE 7 -0.607 3.160 -5.240 50 HD11 ILE 7 HD11 ILE 7 0.425 6.452 -6.367 51 HD12 ILE 7 HD12 ILE 7 1.843 7.408 -6.078 52 HD13 ILE 7 HD13 ILE 7 1.910 6.068 -7.262 53 H LEU 8 HN LEU 8 -0.268 2.019 -3.045 54 HA LEU 8 HA LEU 8 0.444 -0.733 -3.947 55 HB2 LEU 8 HB2 LEU 8 -1.922 0.218 -2.278 56 HB3 LEU 8 HB3 LEU 8 -1.615 -1.441 -2.763 57 HG LEU 8 HG LEU 8 0.004 0.231 -0.839 58 HD11 LEU 8 HD11 LEU 8 -2.059 -0.693 0.082 59 HD12 LEU 8 HD12 LEU 8 -0.691 -1.620 0.734 60 HD13 LEU 8 HD13 LEU 8 -1.680 -2.297 -0.563 61 HD21 LEU 8 HD21 LEU 8 0.634 -2.559 -1.918 62 HD22 LEU 8 HD22 LEU 8 1.373 -1.864 -0.468 63 HD23 LEU 8 HD23 LEU 8 1.644 -1.114 -2.042 64 H ARG 9 HN ARG 9 -1.252 -1.938 -5.173 65 HA ARG 9 HA ARG 9 -3.406 -0.300 -6.371 66 HB2 ARG 9 HB2 ARG 9 -2.167 -2.220 -8.277 67 HB3 ARG 9 HB3 ARG 9 -2.951 -0.717 -8.558 68 HG2 ARG 9 HG2 ARG 9 -0.919 0.485 -7.805 69 HG3 ARG 9 HG3 ARG 9 -0.086 -1.035 -7.578 70 HD2 ARG 9 HD2 ARG 9 -1.051 -1.266 -10.179 71 HD3 ARG 9 HD3 ARG 9 -0.655 0.452 -10.083 72 HE ARG 9 HE ARG 9 1.620 -0.336 -9.228 73 HH11 ARG 9 HH11 ARG 9 -0.161 -2.024 -11.819 74 HH12 ARG 9 HH12 ARG 9 1.186 -3.021 -12.227 75 HH21 ARG 9 HH21 ARG 9 3.337 -1.732 -9.771 76 HH22 ARG 9 HH22 ARG 9 3.129 -3.000 -10.916 77 H ASN 10 HN ASN 10 -4.989 -1.761 -7.500 78 HA ASN 10 HA ASN 10 -6.430 -3.443 -7.555 79 HB2 ASN 10 HB2 ASN 10 -4.522 -4.687 -8.514 80 HB3 ASN 10 HB3 ASN 10 -4.077 -5.241 -6.909 81 HD21 ASN 10 HD21 ASN 10 -4.532 -7.426 -7.095 82 HD22 ASN 10 HD22 ASN 10 -6.047 -8.089 -7.699 83 H LEU 11 HN LEU 11 -6.614 -1.974 -5.343 84 HA LEU 11 HA LEU 11 -6.953 -3.843 -3.052 85 HB2 LEU 11 HB2 LEU 11 -7.425 -0.859 -3.297 86 HB3 LEU 11 HB3 LEU 11 -7.743 -1.797 -1.854 87 HG LEU 11 HG LEU 11 -4.978 -1.705 -3.154 88 HD11 LEU 11 HD11 LEU 11 -5.853 0.586 -2.493 89 HD12 LEU 11 HD12 LEU 11 -4.319 0.067 -1.753 90 HD13 LEU 11 HD13 LEU 11 -5.831 0.040 -0.831 91 HD21 LEU 11 HD21 LEU 11 -4.201 -2.336 -0.907 92 HD22 LEU 11 HD22 LEU 11 -5.383 -3.523 -1.487 93 HD23 LEU 11 HD23 LEU 11 -5.880 -2.304 -0.311 94 H ASN 12 HN ASN 12 -8.759 -5.016 -3.087 95 HA ASN 12 HA ASN 12 -11.205 -4.393 -4.496 96 HB2 ASN 12 HB2 ASN 12 -10.404 -6.307 -2.356 97 HB3 ASN 12 HB3 ASN 12 -12.087 -5.923 -2.459 98 HD21 ASN 12 HD21 ASN 12 -12.366 -8.237 -2.885 99 HD22 ASN 12 HD22 ASN 12 -12.217 -8.754 -4.544 100 HA PRO 13 HA PRO 13 -12.832 -1.385 -1.590 101 HB2 PRO 13 HB2 PRO 13 -15.482 -1.603 -2.060 102 HB3 PRO 13 HB3 PRO 13 -14.376 -1.170 -3.400 103 HG2 PRO 13 HG2 PRO 13 -15.523 -3.895 -2.666 104 HG3 PRO 13 HG3 PRO 13 -15.574 -3.068 -4.244 105 HD2 PRO 13 HD2 PRO 13 -13.673 -4.883 -3.526 106 HD3 PRO 13 HD3 PRO 13 -13.320 -3.535 -4.654 107 H HIS 14 HN HIS 14 -13.641 -4.721 -1.264 108 HA HIS 14 HA HIS 14 -15.208 -4.636 1.129 109 HB2 HIS 14 HB2 HIS 14 -14.593 -6.562 -0.800 110 HB3 HIS 14 HB3 HIS 14 -13.750 -7.155 0.622 111 HD1 HIS 14 HD1 HIS 14 -15.281 -8.882 1.798 112 HD2 HIS 14 HD2 HIS 14 -17.306 -5.651 0.005 113 HE1 HIS 14 HE1 HIS 14 -17.754 -9.283 2.212 114 H SER 15 HN SER 15 -11.851 -4.204 0.648 115 HA SER 15 HA SER 15 -11.346 -4.421 3.565 116 HB2 SER 15 HB2 SER 15 -9.470 -4.312 1.149 117 HB3 SER 15 HB3 SER 15 -8.979 -4.206 2.826 118 HG SER 15 HG SER 15 -10.018 -6.400 3.016 119 H THR 16 HN THR 16 -10.485 -2.472 4.489 120 HA THR 16 HA THR 16 -10.358 -0.078 2.776 121 HB THR 16 HB THR 16 -12.385 -0.055 4.109 122 HG1 THR 16 HG1 THR 16 -12.092 1.946 4.914 123 HG21 THR 16 HG21 THR 16 -10.656 0.024 6.618 124 HG22 THR 16 HG22 THR 16 -11.593 -1.396 6.102 125 HG23 THR 16 HG23 THR 16 -12.431 0.097 6.495 126 H MET 17 HN MET 17 -9.279 -1.432 5.906 127 HA MET 17 HA MET 17 -6.470 -0.819 5.230 128 HB2 MET 17 HB2 MET 17 -7.609 1.284 6.058 129 HB3 MET 17 HB3 MET 17 -7.871 0.497 7.599 130 HG2 MET 17 HG2 MET 17 -5.588 0.458 8.117 131 HG3 MET 17 HG3 MET 17 -5.084 0.612 6.432 132 HE1 MET 17 HE1 MET 17 -5.539 4.286 5.540 133 HE2 MET 17 HE2 MET 17 -4.816 2.722 5.121 134 HE3 MET 17 HE3 MET 17 -6.585 2.915 5.177 135 H ASP 18 HN ASP 18 -8.582 -1.547 8.131 136 HA ASP 18 HA ASP 18 -6.692 -2.959 9.515 137 HB2 ASP 18 HB2 ASP 18 -9.713 -2.708 9.481 138 HB3 ASP 18 HB3 ASP 18 -8.958 -3.897 10.519 139 H SER 19 HN SER 19 -8.732 -4.078 6.941 140 HA SER 19 HA SER 19 -8.176 -6.948 7.424 141 HB2 SER 19 HB2 SER 19 -10.450 -5.931 6.856 142 HB3 SER 19 HB3 SER 19 -9.824 -5.652 5.226 143 HG SER 19 HG SER 19 -10.538 -8.013 6.548 144 H ILE 20 HN ILE 20 -6.072 -4.931 6.644 145 HA ILE 20 HA ILE 20 -4.920 -6.465 4.410 146 HB ILE 20 HB ILE 20 -4.812 -3.434 4.497 147 HG12 ILE 20 HG12 ILE 20 -6.242 -5.103 2.379 148 HG13 ILE 20 HG13 ILE 20 -7.089 -4.433 3.777 149 HG21 ILE 20 HG21 ILE 20 -3.793 -5.459 2.445 150 HG22 ILE 20 HG22 ILE 20 -3.679 -3.695 2.285 151 HG23 ILE 20 HG23 ILE 20 -2.794 -4.511 3.557 152 HD11 ILE 20 HD11 ILE 20 -6.479 -2.196 3.245 153 HD12 ILE 20 HD12 ILE 20 -5.570 -2.747 1.819 154 HD13 ILE 20 HD13 ILE 20 -7.328 -2.956 1.878 155 H LEU 21 HN LEU 21 -4.422 -3.909 6.923 156 HA LEU 21 HA LEU 21 -1.707 -3.908 6.914 157 HB2 LEU 21 HB2 LEU 21 -3.765 -3.178 8.933 158 HB3 LEU 21 HB3 LEU 21 -2.243 -3.615 9.657 159 HG LEU 21 HG LEU 21 -2.314 -1.275 9.413 160 HD11 LEU 21 HD11 LEU 21 -0.352 -2.090 7.258 161 HD12 LEU 21 HD12 LEU 21 -0.106 -2.452 8.987 162 HD13 LEU 21 HD13 LEU 21 -0.257 -0.779 8.439 163 HD21 LEU 21 HD21 LEU 21 -3.905 -1.162 7.485 164 HD22 LEU 21 HD22 LEU 21 -2.560 -1.547 6.401 165 HD23 LEU 21 HD23 LEU 21 -2.521 -0.049 7.362 166 H GLY 22 HN GLY 22 -3.662 -6.274 8.716 167 HA2 GLY 22 HA1 GLY 22 -1.239 -7.475 9.920 168 HA3 GLY 22 HA2 GLY 22 -2.922 -7.753 10.389 169 H ALA 23 HN ALA 23 -2.094 -7.783 6.995 170 HA ALA 23 HA ALA 23 -1.874 -10.750 6.890 171 HB1 ALA 23 HB1 ALA 23 -3.913 -9.012 5.459 172 HB2 ALA 23 HB2 ALA 23 -3.551 -10.691 4.988 173 HB3 ALA 23 HB3 ALA 23 -4.238 -10.338 6.584 174 H LEU 24 HN LEU 24 -1.671 -7.595 5.241 175 HA LEU 24 HA LEU 24 0.174 -8.555 3.207 176 HB2 LEU 24 HB2 LEU 24 -1.682 -6.668 3.072 177 HB3 LEU 24 HB3 LEU 24 -0.465 -5.664 3.847 178 HG LEU 24 HG LEU 24 1.100 -6.444 1.862 179 HD11 LEU 24 HD11 LEU 24 -0.051 -7.106 -0.175 180 HD12 LEU 24 HD12 LEU 24 -1.627 -7.012 0.634 181 HD13 LEU 24 HD13 LEU 24 -0.493 -8.262 1.104 182 HD21 LEU 24 HD21 LEU 24 0.249 -4.683 0.383 183 HD22 LEU 24 HD22 LEU 24 0.234 -4.143 2.060 184 HD23 LEU 24 HD23 LEU 24 -1.286 -4.634 1.286 185 H ALA 25 HN ALA 25 0.860 -8.651 6.264 186 HA ALA 25 HA ALA 25 3.415 -7.129 6.097 187 HB1 ALA 25 HB1 ALA 25 1.745 -7.760 8.532 188 HB2 ALA 25 HB2 ALA 25 3.367 -7.037 8.517 189 HB3 ALA 25 HB3 ALA 25 2.015 -6.164 7.787 190 HA PRO 26 HA PRO 26 4.851 -11.434 6.621 191 HB2 PRO 26 HB2 PRO 26 5.568 -12.194 4.143 192 HB3 PRO 26 HB3 PRO 26 3.875 -12.361 4.699 193 HG2 PRO 26 HG2 PRO 26 5.071 -10.088 3.062 194 HG3 PRO 26 HG3 PRO 26 3.610 -11.062 2.691 195 HD2 PRO 26 HD2 PRO 26 3.562 -8.630 3.995 196 HD3 PRO 26 HD3 PRO 26 2.386 -9.946 4.336 197 H TYR 27 HN TYR 27 5.946 -8.402 5.054 198 HA TYR 27 HA TYR 27 8.766 -9.205 5.584 199 HB2 TYR 27 HB2 TYR 27 8.229 -7.257 3.383 200 HB3 TYR 27 HB3 TYR 27 9.565 -8.356 3.619 201 HD1 TYR 27 HD1 TYR 27 7.167 -7.639 1.385 202 HD2 TYR 27 HD2 TYR 27 8.480 -11.012 3.689 203 HE1 TYR 27 HE1 TYR 27 5.982 -9.197 -0.190 204 HE2 TYR 27 HE2 TYR 27 7.177 -12.530 2.241 205 HH TYR 27 HH TYR 27 5.392 -12.585 0.665 206 H ALA 28 HN ALA 28 6.796 -6.311 4.823 207 HA ALA 28 HA ALA 28 8.243 -4.763 6.924 208 HB1 ALA 28 HB1 ALA 28 8.517 -3.790 4.682 209 HB2 ALA 28 HB2 ALA 28 6.784 -3.910 4.354 210 HB3 ALA 28 HB3 ALA 28 7.392 -2.787 5.603 211 H VAL 29 HN VAL 29 7.116 -4.689 8.740 212 HA VAL 29 HA VAL 29 4.172 -4.870 8.763 213 HB VAL 29 HB VAL 29 6.098 -4.459 11.083 214 HG11 VAL 29 HG11 VAL 29 4.155 -5.311 12.397 215 HG12 VAL 29 HG12 VAL 29 3.718 -3.852 11.500 216 HG13 VAL 29 HG13 VAL 29 3.198 -5.443 10.911 217 HG21 VAL 29 HG21 VAL 29 4.912 -7.111 10.173 218 HG22 VAL 29 HG22 VAL 29 6.625 -6.640 10.069 219 HG23 VAL 29 HG23 VAL 29 5.856 -6.815 11.644 220 H LEU 30 HN LEU 30 3.224 -2.985 8.087 221 HA LEU 30 HA LEU 30 4.577 -0.427 8.395 222 HB2 LEU 30 HB2 LEU 30 1.778 -1.081 7.472 223 HB3 LEU 30 HB3 LEU 30 2.550 0.495 7.292 224 HG LEU 30 HG LEU 30 3.545 -2.085 5.998 225 HD11 LEU 30 HD11 LEU 30 1.284 -1.336 5.259 226 HD12 LEU 30 HD12 LEU 30 2.523 -1.289 3.990 227 HD13 LEU 30 HD13 LEU 30 1.999 0.225 4.777 228 HD21 LEU 30 HD21 LEU 30 4.364 0.840 5.622 229 HD22 LEU 30 HD22 LEU 30 4.895 -0.514 4.608 230 HD23 LEU 30 HD23 LEU 30 5.362 -0.465 6.300 231 H SER 31 HN SER 31 3.470 1.536 9.324 232 HA SER 31 HA SER 31 2.314 0.847 11.962 233 HB2 SER 31 HB2 SER 31 4.411 2.571 11.066 234 HB3 SER 31 HB3 SER 31 3.143 3.618 11.689 235 HG SER 31 HG SER 31 3.138 2.314 13.597 236 H SER 32 HN SER 32 0.753 1.050 9.389 237 HA SER 32 HA SER 32 -1.444 1.443 8.962 238 HB2 SER 32 HB2 SER 32 -1.439 0.824 11.395 239 HB3 SER 32 HB3 SER 32 -1.537 2.539 11.792 240 HG SER 32 HG SER 32 -3.411 1.625 11.952 241 H SER 33 HN SER 33 -0.342 4.342 10.802 242 HA SER 33 HA SER 33 -1.911 6.268 9.383 243 HB2 SER 33 HB2 SER 33 -0.085 7.836 10.256 244 HB3 SER 33 HB3 SER 33 -1.077 6.998 11.437 245 HG SER 33 HG SER 33 0.545 5.680 11.980 246 H ASN 34 HN ASN 34 1.305 4.832 8.694 247 HA ASN 34 HA ASN 34 2.244 6.360 6.605 248 HB2 ASN 34 HB2 ASN 34 2.124 3.308 6.564 249 HB3 ASN 34 HB3 ASN 34 3.328 4.307 5.775 250 HD21 ASN 34 HD21 ASN 34 5.167 5.073 6.979 251 HD22 ASN 34 HD22 ASN 34 5.329 4.598 8.669 252 H VAL 35 HN VAL 35 -0.590 4.266 6.687 253 HA VAL 35 HA VAL 35 -0.637 3.990 3.789 254 HB VAL 35 HB VAL 35 -2.427 2.632 5.829 255 HG11 VAL 35 HG11 VAL 35 -2.770 1.014 4.097 256 HG12 VAL 35 HG12 VAL 35 -3.079 2.606 3.390 257 HG13 VAL 35 HG13 VAL 35 -1.554 1.780 3.040 258 HG21 VAL 35 HG21 VAL 35 -0.747 0.695 5.506 259 HG22 VAL 35 HG22 VAL 35 0.380 1.926 4.870 260 HG23 VAL 35 HG23 VAL 35 -0.211 2.030 6.527 261 H ARG 36 HN ARG 36 -1.409 5.756 2.880 262 HA ARG 36 HA ARG 36 -3.893 7.103 3.754 263 HB2 ARG 36 HB2 ARG 36 -1.570 7.663 2.025 264 HB3 ARG 36 HB3 ARG 36 -3.079 8.104 1.233 265 HG2 ARG 36 HG2 ARG 36 -2.588 8.948 4.092 266 HG3 ARG 36 HG3 ARG 36 -1.750 9.798 2.790 267 HD2 ARG 36 HD2 ARG 36 -3.717 10.580 1.798 268 HD3 ARG 36 HD3 ARG 36 -4.733 9.364 2.573 269 HE ARG 36 HE ARG 36 -3.443 11.109 4.509 270 HH11 ARG 36 HH11 ARG 36 -5.828 11.569 1.991 271 HH12 ARG 36 HH12 ARG 36 -7.056 12.249 2.998 272 HH21 ARG 36 HH21 ARG 36 -5.087 12.048 5.973 273 HH22 ARG 36 HH22 ARG 36 -6.524 12.674 5.278 274 H VAL 37 HN VAL 37 -5.744 6.079 3.298 275 HA VAL 37 HA VAL 37 -6.181 4.814 0.644 276 HB VAL 37 HB VAL 37 -7.478 4.065 3.303 277 HG11 VAL 37 HG11 VAL 37 -9.097 3.759 1.391 278 HG12 VAL 37 HG12 VAL 37 -7.896 2.756 0.555 279 HG13 VAL 37 HG13 VAL 37 -8.601 2.223 2.102 280 HG21 VAL 37 HG21 VAL 37 -6.376 1.921 2.987 281 HG22 VAL 37 HG22 VAL 37 -5.780 2.389 1.394 282 HG23 VAL 37 HG23 VAL 37 -5.133 3.168 2.850 283 H ILE 38 HN ILE 38 -6.979 6.499 -0.486 284 HA ILE 38 HA ILE 38 -8.995 8.379 0.454 285 HB ILE 38 HB ILE 38 -8.350 7.363 -2.318 286 HG12 ILE 38 HG12 ILE 38 -7.353 9.993 -1.170 287 HG13 ILE 38 HG13 ILE 38 -6.389 8.521 -1.159 288 HG21 ILE 38 HG21 ILE 38 -9.899 9.852 -1.427 289 HG22 ILE 38 HG22 ILE 38 -9.509 9.456 -3.106 290 HG23 ILE 38 HG23 ILE 38 -10.594 8.430 -2.210 291 HD11 ILE 38 HD11 ILE 38 -6.639 8.341 -3.643 292 HD12 ILE 38 HD12 ILE 38 -7.479 9.891 -3.638 293 HD13 ILE 38 HD13 ILE 38 -5.792 9.813 -3.105 294 H LYS 39 HN LYS 39 -11.208 8.079 0.472 295 HA LYS 39 HA LYS 39 -12.282 5.506 -0.521 296 HB2 LYS 39 HB2 LYS 39 -12.978 6.935 2.065 297 HB3 LYS 39 HB3 LYS 39 -13.724 5.463 1.499 298 HG2 LYS 39 HG2 LYS 39 -11.912 4.108 2.004 299 HG3 LYS 39 HG3 LYS 39 -10.730 5.401 1.861 300 HD2 LYS 39 HD2 LYS 39 -11.612 6.465 3.929 301 HD3 LYS 39 HD3 LYS 39 -12.688 5.071 4.109 302 HE2 LYS 39 HE2 LYS 39 -10.548 3.625 3.999 303 HE3 LYS 39 HE3 LYS 39 -9.646 5.136 4.219 304 HZ1 LYS 39 HZ1 LYS 39 -11.715 4.076 6.043 305 HZ2 LYS 39 HZ2 LYS 39 -10.832 5.444 6.311 306 HZ3 LYS 39 HZ3 LYS 39 -10.111 3.955 6.332 307 H ASP 40 HN ASP 40 -14.424 5.646 -1.389 308 HA ASP 40 HA ASP 40 -15.059 7.761 -3.096 309 HB2 ASP 40 HB2 ASP 40 -16.006 5.615 -3.309 310 HB3 ASP 40 HB3 ASP 40 -16.833 5.762 -1.772 311 H LYS 41 HN LYS 41 -17.434 7.411 -0.617 312 HA LYS 41 HA LYS 41 -17.220 9.686 0.935 313 HB2 LYS 41 HB2 LYS 41 -18.254 10.282 -1.808 314 HB3 LYS 41 HB3 LYS 41 -19.333 10.746 -0.506 315 HG2 LYS 41 HG2 LYS 41 -17.860 12.281 0.444 316 HG3 LYS 41 HG3 LYS 41 -16.463 11.707 -0.467 317 HD2 LYS 41 HD2 LYS 41 -17.220 12.647 -2.499 318 HD3 LYS 41 HD3 LYS 41 -18.900 12.681 -1.960 319 HE2 LYS 41 HE2 LYS 41 -18.232 14.923 -2.034 320 HE3 LYS 41 HE3 LYS 41 -18.377 14.472 -0.339 321 HZ1 LYS 41 HZ1 LYS 41 -15.937 14.254 -0.292 322 HZ2 LYS 41 HZ2 LYS 41 -16.458 15.762 -0.674 323 HZ3 LYS 41 HZ3 LYS 41 -15.843 14.762 -1.846 324 H GLN 42 HN GLN 42 -19.348 7.958 -1.180 325 HA GLN 42 HA GLN 42 -21.434 7.960 1.006 326 HB2 GLN 42 HB2 GLN 42 -21.632 8.629 -1.743 327 HB3 GLN 42 HB3 GLN 42 -22.424 7.060 -1.613 328 HG2 GLN 42 HG2 GLN 42 -23.850 7.861 0.214 329 HG3 GLN 42 HG3 GLN 42 -23.014 9.416 0.240 330 HE21 GLN 42 HE21 GLN 42 -22.950 10.407 -2.205 331 HE22 GLN 42 HE22 GLN 42 -24.535 10.441 -2.986 332 H THR 43 HN THR 43 -19.688 5.864 -1.242 333 HA THR 43 HA THR 43 -21.272 3.547 -0.528 334 HB THR 43 HB THR 43 -19.704 2.338 -1.999 335 HG1 THR 43 HG1 THR 43 -18.114 3.685 -3.041 336 HG21 THR 43 HG21 THR 43 -20.145 3.537 -4.065 337 HG22 THR 43 HG22 THR 43 -20.530 5.021 -3.158 338 HG23 THR 43 HG23 THR 43 -21.555 3.588 -3.004 339 H GLN 44 HN GLN 44 -18.774 5.085 1.066 340 HA GLN 44 HA GLN 44 -17.160 4.649 2.543 341 HB2 GLN 44 HB2 GLN 44 -18.991 2.406 3.421 342 HB3 GLN 44 HB3 GLN 44 -17.615 3.049 4.320 343 HG2 GLN 44 HG2 GLN 44 -20.074 4.674 3.557 344 HG3 GLN 44 HG3 GLN 44 -19.749 3.968 5.130 345 HE21 GLN 44 HE21 GLN 44 -19.363 6.913 3.346 346 HE22 GLN 44 HE22 GLN 44 -18.056 7.558 4.278 347 H LEU 45 HN LEU 45 -17.211 3.047 -0.170 348 HA LEU 45 HA LEU 45 -15.160 1.012 0.365 349 HB2 LEU 45 HB2 LEU 45 -16.096 2.089 -2.307 350 HB3 LEU 45 HB3 LEU 45 -15.286 0.559 -1.975 351 HG LEU 45 HG LEU 45 -18.111 1.323 -1.199 352 HD11 LEU 45 HD11 LEU 45 -17.122 -0.624 -3.291 353 HD12 LEU 45 HD12 LEU 45 -17.769 1.003 -3.579 354 HD13 LEU 45 HD13 LEU 45 -18.808 -0.260 -2.891 355 HD21 LEU 45 HD21 LEU 45 -17.692 -0.086 0.517 356 HD22 LEU 45 HD22 LEU 45 -16.473 -1.014 -0.337 357 HD23 LEU 45 HD23 LEU 45 -18.182 -1.264 -0.708 358 H ASN 46 HN ASN 46 -13.364 1.183 -1.584 359 HA ASN 46 HA ASN 46 -11.944 3.749 -1.144 360 HB2 ASN 46 HB2 ASN 46 -9.910 2.647 -0.788 361 HB3 ASN 46 HB3 ASN 46 -11.104 1.849 0.213 362 HD21 ASN 46 HD21 ASN 46 -10.853 -0.493 0.241 363 HD22 ASN 46 HD22 ASN 46 -10.087 -1.220 -1.108 364 H ARG 47 HN ARG 47 -10.087 4.026 -2.839 365 HA ARG 47 HA ARG 47 -11.456 4.102 -5.469 366 HB2 ARG 47 HB2 ARG 47 -8.696 5.106 -4.665 367 HB3 ARG 47 HB3 ARG 47 -9.483 5.411 -6.195 368 HG2 ARG 47 HG2 ARG 47 -10.884 6.413 -3.737 369 HG3 ARG 47 HG3 ARG 47 -9.352 7.154 -4.193 370 HD2 ARG 47 HD2 ARG 47 -11.793 7.075 -5.956 371 HD3 ARG 47 HD3 ARG 47 -11.181 8.460 -5.021 372 HE ARG 47 HE ARG 47 -9.052 8.140 -6.435 373 HH11 ARG 47 HH11 ARG 47 -12.396 8.144 -7.599 374 HH12 ARG 47 HH12 ARG 47 -11.952 8.364 -9.263 375 HH21 ARG 47 HH21 ARG 47 -8.469 8.508 -8.651 376 HH22 ARG 47 HH22 ARG 47 -9.666 8.356 -9.880 377 H GLY 48 HN GLY 48 -9.282 1.970 -3.894 378 HA2 GLY 48 HA1 GLY 48 -8.706 -0.065 -4.767 379 HA3 GLY 48 HA2 GLY 48 -8.769 0.571 -6.395 380 H PHE 49 HN PHE 49 -6.939 2.597 -4.328 381 HA PHE 49 HA PHE 49 -4.406 1.138 -4.525 382 HB2 PHE 49 HB2 PHE 49 -3.262 3.141 -5.532 383 HB3 PHE 49 HB3 PHE 49 -4.323 2.271 -6.632 384 HD1 PHE 49 HD1 PHE 49 -3.728 5.403 -4.812 385 HD2 PHE 49 HD2 PHE 49 -6.406 3.271 -7.420 386 HE1 PHE 49 HE1 PHE 49 -5.026 7.511 -5.224 387 HE2 PHE 49 HE2 PHE 49 -7.702 5.358 -7.805 388 HZ PHE 49 HZ PHE 49 -7.028 7.466 -6.656 389 H ALA 50 HN ALA 50 -2.733 2.299 -3.167 390 HA ALA 50 HA ALA 50 -3.825 4.232 -1.226 391 HB1 ALA 50 HB1 ALA 50 -3.033 2.927 0.699 392 HB2 ALA 50 HB2 ALA 50 -4.235 1.986 -0.198 393 HB3 ALA 50 HB3 ALA 50 -2.502 1.619 -0.371 394 H PHE 51 HN PHE 51 -1.957 5.074 0.148 395 HA PHE 51 HA PHE 51 0.602 5.100 -1.381 396 HB2 PHE 51 HB2 PHE 51 -0.701 7.379 0.154 397 HB3 PHE 51 HB3 PHE 51 0.799 7.458 -0.710 398 HD1 PHE 51 HD1 PHE 51 -2.863 7.438 -0.937 399 HD2 PHE 51 HD2 PHE 51 0.798 7.559 -3.206 400 HE1 PHE 51 HE1 PHE 51 -4.119 8.186 -2.907 401 HE2 PHE 51 HE2 PHE 51 -0.477 8.236 -5.219 402 HZ PHE 51 HZ PHE 51 -2.934 8.529 -5.096 403 H ILE 52 HN ILE 52 2.332 4.710 -0.107 404 HA ILE 52 HA ILE 52 2.108 4.523 2.832 405 HB ILE 52 HB ILE 52 3.180 2.475 0.896 406 HG12 ILE 52 HG12 ILE 52 0.758 2.390 2.716 407 HG13 ILE 52 HG13 ILE 52 0.718 2.501 0.956 408 HG21 ILE 52 HG21 ILE 52 3.713 1.091 2.841 409 HG22 ILE 52 HG22 ILE 52 4.603 2.587 2.881 410 HG23 ILE 52 HG23 ILE 52 3.178 2.392 3.939 411 HD11 ILE 52 HD11 ILE 52 1.778 0.105 2.447 412 HD12 ILE 52 HD12 ILE 52 0.174 0.277 1.735 413 HD13 ILE 52 HD13 ILE 52 1.619 0.311 0.700 414 H GLN 53 HN GLN 53 3.829 5.722 3.799 415 HA GLN 53 HA GLN 53 6.288 5.909 2.184 416 HB2 GLN 53 HB2 GLN 53 6.473 8.156 3.075 417 HB3 GLN 53 HB3 GLN 53 5.410 7.941 1.694 418 HG2 GLN 53 HG2 GLN 53 4.527 8.143 4.570 419 HG3 GLN 53 HG3 GLN 53 4.740 9.545 3.499 420 HE21 GLN 53 HE21 GLN 53 3.496 7.795 1.184 421 HE22 GLN 53 HE22 GLN 53 1.776 7.965 1.571 422 H LEU 54 HN LEU 54 8.157 6.202 3.293 423 HA LEU 54 HA LEU 54 8.267 5.272 6.115 424 HB2 LEU 54 HB2 LEU 54 9.345 4.040 3.567 425 HB3 LEU 54 HB3 LEU 54 10.237 3.801 5.051 426 HG LEU 54 HG LEU 54 7.342 2.917 4.596 427 HD11 LEU 54 HD11 LEU 54 8.374 0.653 4.613 428 HD12 LEU 54 HD12 LEU 54 9.994 1.371 4.743 429 HD13 LEU 54 HD13 LEU 54 9.010 1.625 3.285 430 HD21 LEU 54 HD21 LEU 54 9.279 2.605 6.917 431 HD22 LEU 54 HD22 LEU 54 7.822 1.614 6.697 432 HD23 LEU 54 HD23 LEU 54 7.653 3.364 6.935 433 H SER 55 HN SER 55 10.921 5.128 6.477 434 HA SER 55 HA SER 55 12.067 7.782 6.376 435 HB2 SER 55 HB2 SER 55 12.648 5.123 7.405 436 HB3 SER 55 HB3 SER 55 14.071 5.722 6.557 437 HG SER 55 HG SER 55 14.235 6.379 8.610 438 H THR 56 HN THR 56 13.949 8.427 4.963 439 HA THR 56 HA THR 56 13.310 8.001 2.320 440 HB THR 56 HB THR 56 15.410 9.247 1.834 441 HG1 THR 56 HG1 THR 56 16.807 9.713 3.326 442 HG21 THR 56 HG21 THR 56 14.848 11.311 3.023 443 HG22 THR 56 HG22 THR 56 13.871 10.416 4.204 444 HG23 THR 56 HG23 THR 56 13.368 10.498 2.505 445 H ILE 57 HN ILE 57 16.099 6.653 4.040 446 HA ILE 57 HA ILE 57 17.007 5.004 1.861 447 HB ILE 57 HB ILE 57 17.531 4.807 4.826 448 HG12 ILE 57 HG12 ILE 57 19.187 6.076 2.623 449 HG13 ILE 57 HG13 ILE 57 18.195 6.986 3.765 450 HG21 ILE 57 HG21 ILE 57 18.875 3.404 2.492 451 HG22 ILE 57 HG22 ILE 57 19.554 3.456 4.132 452 HG23 ILE 57 HG23 ILE 57 18.016 2.673 3.853 453 HD11 ILE 57 HD11 ILE 57 19.550 6.099 5.635 454 HD12 ILE 57 HD12 ILE 57 20.636 5.344 4.433 455 HD13 ILE 57 HD13 ILE 57 20.455 7.101 4.475 456 H GLU 58 HN GLU 58 14.932 4.424 4.693 457 HA GLU 58 HA GLU 58 14.754 1.656 4.503 458 HB2 GLU 58 HB2 GLU 58 12.812 3.674 5.632 459 HB3 GLU 58 HB3 GLU 58 12.655 1.942 5.894 460 HG2 GLU 58 HG2 GLU 58 15.281 3.322 6.577 461 HG3 GLU 58 HG3 GLU 58 13.910 3.443 7.652 462 H ALA 59 HN ALA 59 12.501 4.127 3.211 463 HA ALA 59 HA ALA 59 10.581 2.548 2.011 464 HB1 ALA 59 HB1 ALA 59 10.551 5.065 2.123 465 HB2 ALA 59 HB2 ALA 59 11.835 5.123 0.925 466 HB3 ALA 59 HB3 ALA 59 10.243 4.463 0.486 467 H ALA 60 HN ALA 60 13.563 3.833 0.478 468 HA ALA 60 HA ALA 60 13.198 2.532 -2.012 469 HB1 ALA 60 HB1 ALA 60 15.551 3.211 -2.430 470 HB2 ALA 60 HB2 ALA 60 14.606 4.533 -1.713 471 HB3 ALA 60 HB3 ALA 60 15.744 3.609 -0.707 472 H GLN 61 HN GLN 61 15.062 1.536 0.907 473 HA GLN 61 HA GLN 61 16.359 -0.762 -0.244 474 HB2 GLN 61 HB2 GLN 61 15.511 -0.001 2.563 475 HB3 GLN 61 HB3 GLN 61 16.229 -1.578 2.209 476 HG2 GLN 61 HG2 GLN 61 18.225 -0.421 1.264 477 HG3 GLN 61 HG3 GLN 61 17.566 1.122 1.823 478 HE21 GLN 61 HE21 GLN 61 16.525 0.520 4.352 479 HE22 GLN 61 HE22 GLN 61 17.808 -0.057 5.383 480 H LEU 62 HN LEU 62 13.335 -0.473 1.705 481 HA LEU 62 HA LEU 62 12.744 -3.232 1.560 482 HB2 LEU 62 HB2 LEU 62 11.727 -1.104 2.983 483 HB3 LEU 62 HB3 LEU 62 10.426 -1.345 1.831 484 HG LEU 62 HG LEU 62 9.768 -2.469 3.510 485 HD11 LEU 62 HD11 LEU 62 9.517 -3.833 1.625 486 HD12 LEU 62 HD12 LEU 62 9.674 -4.871 3.046 487 HD13 LEU 62 HD13 LEU 62 11.035 -4.705 1.925 488 HD21 LEU 62 HD21 LEU 62 11.774 -2.474 4.940 489 HD22 LEU 62 HD22 LEU 62 12.508 -3.759 3.960 490 HD23 LEU 62 HD23 LEU 62 11.058 -4.085 4.939 491 H LEU 63 HN LEU 63 11.650 -0.460 -0.436 492 HA LEU 63 HA LEU 63 9.792 -1.741 -1.963 493 HB2 LEU 63 HB2 LEU 63 10.304 0.699 -2.165 494 HB3 LEU 63 HB3 LEU 63 11.901 0.317 -2.786 495 HG LEU 63 HG LEU 63 10.618 -0.839 -4.778 496 HD11 LEU 63 HD11 LEU 63 8.356 -0.675 -3.764 497 HD12 LEU 63 HD12 LEU 63 8.456 0.183 -5.308 498 HD13 LEU 63 HD13 LEU 63 8.487 1.100 -3.793 499 HD21 LEU 63 HD21 LEU 63 10.816 2.147 -4.404 500 HD22 LEU 63 HD22 LEU 63 10.569 1.321 -5.968 501 HD23 LEU 63 HD23 LEU 63 12.054 1.059 -5.049 502 H GLN 64 HN GLN 64 13.369 -1.764 -2.423 503 HA GLN 64 HA GLN 64 13.328 -3.085 -4.970 504 HB2 GLN 64 HB2 GLN 64 15.455 -2.755 -2.818 505 HB3 GLN 64 HB3 GLN 64 15.754 -3.651 -4.301 506 HG2 GLN 64 HG2 GLN 64 15.551 -1.825 -5.558 507 HG3 GLN 64 HG3 GLN 64 14.761 -0.797 -4.359 508 HE21 GLN 64 HE21 GLN 64 16.098 -0.150 -2.506 509 HE22 GLN 64 HE22 GLN 64 17.851 0.050 -2.692 510 H ILE 65 HN ILE 65 13.031 -4.265 -1.698 511 HA ILE 65 HA ILE 65 13.624 -7.053 -2.223 512 HB ILE 65 HB ILE 65 12.063 -5.741 0.017 513 HG12 ILE 65 HG12 ILE 65 14.904 -6.785 -0.027 514 HG13 ILE 65 HG13 ILE 65 14.446 -5.087 -0.103 515 HG21 ILE 65 HG21 ILE 65 11.161 -7.852 -0.062 516 HG22 ILE 65 HG22 ILE 65 12.727 -8.622 -0.363 517 HG23 ILE 65 HG23 ILE 65 12.364 -7.895 1.221 518 HD11 ILE 65 HD11 ILE 65 14.089 -6.939 2.263 519 HD12 ILE 65 HD12 ILE 65 15.101 -5.494 2.120 520 HD13 ILE 65 HD13 ILE 65 13.339 -5.327 2.144 521 H LEU 66 HN LEU 66 10.590 -5.170 -1.886 522 HA LEU 66 HA LEU 66 8.841 -7.094 -2.887 523 HB2 LEU 66 HB2 LEU 66 8.650 -4.077 -2.999 524 HB3 LEU 66 HB3 LEU 66 7.410 -5.135 -3.622 525 HG LEU 66 HG LEU 66 6.727 -4.424 -1.488 526 HD11 LEU 66 HD11 LEU 66 6.248 -6.813 -1.994 527 HD12 LEU 66 HD12 LEU 66 6.316 -6.393 -0.267 528 HD13 LEU 66 HD13 LEU 66 7.685 -7.247 -1.020 529 HD21 LEU 66 HD21 LEU 66 8.896 -3.846 -0.555 530 HD22 LEU 66 HD22 LEU 66 9.234 -5.567 -0.239 531 HD23 LEU 66 HD23 LEU 66 7.863 -4.759 0.554 532 H GLN 67 HN GLN 67 11.238 -5.452 -4.733 533 HA GLN 67 HA GLN 67 9.905 -6.196 -7.285 534 HB2 GLN 67 HB2 GLN 67 12.075 -4.154 -6.664 535 HB3 GLN 67 HB3 GLN 67 11.524 -4.607 -8.287 536 HG2 GLN 67 HG2 GLN 67 9.204 -3.968 -7.686 537 HG3 GLN 67 HG3 GLN 67 9.760 -3.417 -6.106 538 HE21 GLN 67 HE21 GLN 67 8.502 -1.533 -7.286 539 HE22 GLN 67 HE22 GLN 67 9.524 -0.364 -8.092 540 H ALA 68 HN ALA 68 11.538 -7.872 -5.309 541 HA ALA 68 HA ALA 68 13.085 -9.264 -7.454 542 HB1 ALA 68 HB1 ALA 68 14.672 -7.998 -6.064 543 HB2 ALA 68 HB2 ALA 68 14.052 -8.783 -4.600 544 HB3 ALA 68 HB3 ALA 68 14.888 -9.743 -5.843 545 H LEU 69 HN LEU 69 11.269 -9.491 -4.434 546 HA LEU 69 HA LEU 69 11.889 -12.287 -4.107 547 HB2 LEU 69 HB2 LEU 69 11.099 -12.131 -1.958 548 HB3 LEU 69 HB3 LEU 69 12.117 -10.777 -2.319 549 HG LEU 69 HG LEU 69 10.650 -9.394 -1.654 550 HD11 LEU 69 HD11 LEU 69 8.329 -9.028 -2.432 551 HD12 LEU 69 HD12 LEU 69 8.475 -10.372 -3.517 552 HD13 LEU 69 HD13 LEU 69 9.517 -9.007 -3.748 553 HD21 LEU 69 HD21 LEU 69 8.787 -10.015 -0.347 554 HD22 LEU 69 HD22 LEU 69 10.020 -11.260 -0.121 555 HD23 LEU 69 HD23 LEU 69 8.619 -11.583 -1.180 556 H HIS 70 HN HIS 70 9.590 -13.075 -2.654 557 HA HIS 70 HA HIS 70 7.910 -14.133 -4.759 558 HB2 HIS 70 HB2 HIS 70 6.899 -15.301 -2.660 559 HB3 HIS 70 HB3 HIS 70 8.525 -15.711 -3.178 560 HD1 HIS 70 HD1 HIS 70 10.574 -15.005 -1.537 561 HD2 HIS 70 HD2 HIS 70 6.652 -14.067 -0.290 562 HE1 HIS 70 HE1 HIS 70 10.699 -14.595 0.945 563 HA PRO 71 HA PRO 71 4.860 -11.211 -4.654 564 HB2 PRO 71 HB2 PRO 71 2.557 -12.514 -5.362 565 HB3 PRO 71 HB3 PRO 71 3.983 -12.386 -6.428 566 HG2 PRO 71 HG2 PRO 71 3.254 -14.679 -4.570 567 HG3 PRO 71 HG3 PRO 71 3.680 -14.772 -6.311 568 HD2 PRO 71 HD2 PRO 71 5.537 -15.192 -4.356 569 HD3 PRO 71 HD3 PRO 71 5.986 -14.281 -5.831 570 HA PRO 72 HA PRO 72 2.832 -10.617 -0.901 571 HB2 PRO 72 HB2 PRO 72 0.681 -8.940 -1.598 572 HB3 PRO 72 HB3 PRO 72 2.390 -8.432 -1.409 573 HG2 PRO 72 HG2 PRO 72 0.786 -8.953 -3.853 574 HG3 PRO 72 HG3 PRO 72 2.137 -7.807 -3.619 575 HD2 PRO 72 HD2 PRO 72 2.320 -10.274 -4.898 576 HD3 PRO 72 HD3 PRO 72 3.691 -9.407 -4.160 577 H LEU 73 HN LEU 73 1.307 -11.285 0.486 578 HA LEU 73 HA LEU 73 -0.683 -13.298 -0.082 579 HB2 LEU 73 HB2 LEU 73 0.668 -13.100 1.963 580 HB3 LEU 73 HB3 LEU 73 -0.229 -11.664 2.403 581 HG LEU 73 HG LEU 73 -0.893 -13.974 3.415 582 HD11 LEU 73 HD11 LEU 73 -3.324 -13.309 3.339 583 HD12 LEU 73 HD12 LEU 73 -2.823 -12.111 2.122 584 HD13 LEU 73 HD13 LEU 73 -2.175 -12.017 3.765 585 HD21 LEU 73 HD21 LEU 73 -1.022 -15.282 1.305 586 HD22 LEU 73 HD22 LEU 73 -2.442 -14.334 0.818 587 HD23 LEU 73 HD23 LEU 73 -2.515 -15.328 2.256 588 H THR 74 HN THR 74 -2.527 -13.049 -0.956 589 HA THR 74 HA THR 74 -3.880 -10.423 -1.197 590 HB THR 74 HB THR 74 -4.146 -11.632 -3.182 591 HG1 THR 74 HG1 THR 74 -6.292 -12.485 -3.080 592 HG21 THR 74 HG21 THR 74 -4.801 -14.153 -1.643 593 HG22 THR 74 HG22 THR 74 -3.311 -13.835 -2.585 594 HG23 THR 74 HG23 THR 74 -4.865 -13.892 -3.406 595 H ILE 75 HN ILE 75 -5.925 -10.087 -0.245 596 HA ILE 75 HA ILE 75 -6.596 -11.852 2.055 597 HB ILE 75 HB ILE 75 -7.073 -8.921 2.411 598 HG12 ILE 75 HG12 ILE 75 -4.792 -8.721 3.534 599 HG13 ILE 75 HG13 ILE 75 -4.246 -10.047 2.518 600 HG21 ILE 75 HG21 ILE 75 -6.592 -9.516 4.733 601 HG22 ILE 75 HG22 ILE 75 -7.726 -10.671 4.040 602 HG23 ILE 75 HG23 ILE 75 -6.022 -11.124 4.224 603 HD11 ILE 75 HD11 ILE 75 -4.719 -8.556 0.521 604 HD12 ILE 75 HD12 ILE 75 -5.304 -7.309 1.653 605 HD13 ILE 75 HD13 ILE 75 -3.611 -7.828 1.688 606 H ASP 76 HN ASP 76 -7.707 -11.437 -0.737 607 HA ASP 76 HA ASP 76 -10.479 -11.727 -0.245 608 HB2 ASP 76 HB2 ASP 76 -9.969 -9.084 0.135 609 HB3 ASP 76 HB3 ASP 76 -10.159 -9.045 -1.574 610 H GLY 77 HN GLY 77 -8.449 -12.980 -1.865 611 HA2 GLY 77 HA1 GLY 77 -7.953 -13.685 -3.974 612 HA3 GLY 77 HA2 GLY 77 -9.607 -13.219 -4.391 613 H LYS 78 HN LYS 78 -7.604 -10.497 -3.384 614 HA LYS 78 HA LYS 78 -6.956 -9.773 -6.183 615 HB2 LYS 78 HB2 LYS 78 -6.755 -7.451 -4.968 616 HB3 LYS 78 HB3 LYS 78 -8.249 -8.035 -5.632 617 HG2 LYS 78 HG2 LYS 78 -8.712 -6.999 -3.634 618 HG3 LYS 78 HG3 LYS 78 -9.055 -8.684 -3.414 619 HD2 LYS 78 HD2 LYS 78 -7.240 -8.950 -1.880 620 HD3 LYS 78 HD3 LYS 78 -6.467 -7.448 -2.458 621 HE2 LYS 78 HE2 LYS 78 -8.062 -6.056 -1.389 622 HE3 LYS 78 HE3 LYS 78 -9.250 -7.339 -1.269 623 HZ1 LYS 78 HZ1 LYS 78 -8.077 -8.318 0.520 624 HZ2 LYS 78 HZ2 LYS 78 -8.469 -6.795 0.855 625 HZ3 LYS 78 HZ3 LYS 78 -6.904 -7.138 0.486 626 H THR 79 HN THR 79 -4.768 -10.277 -6.540 627 HA THR 79 HA THR 79 -2.924 -10.139 -4.324 628 HB THR 79 HB THR 79 -1.936 -10.084 -7.147 629 HG1 THR 79 HG1 THR 79 -2.914 -11.763 -7.712 630 HG21 THR 79 HG21 THR 79 -1.203 -11.824 -4.757 631 HG22 THR 79 HG22 THR 79 -0.523 -10.214 -5.010 632 HG23 THR 79 HG23 THR 79 -0.227 -11.480 -6.217 633 H ILE 80 HN ILE 80 -2.019 -8.281 -3.575 634 HA ILE 80 HA ILE 80 -2.692 -5.746 -4.775 635 HB ILE 80 HB ILE 80 -0.759 -6.448 -2.520 636 HG12 ILE 80 HG12 ILE 80 -2.859 -7.319 -1.799 637 HG13 ILE 80 HG13 ILE 80 -2.681 -5.767 -1.008 638 HG21 ILE 80 HG21 ILE 80 -0.384 -4.176 -3.249 639 HG22 ILE 80 HG22 ILE 80 -2.121 -3.812 -3.197 640 HG23 ILE 80 HG23 ILE 80 -1.212 -4.157 -1.702 641 HD11 ILE 80 HD11 ILE 80 -4.935 -5.895 -1.724 642 HD12 ILE 80 HD12 ILE 80 -4.158 -4.786 -2.873 643 HD13 ILE 80 HD13 ILE 80 -4.487 -6.461 -3.345 644 H ASN 81 HN ASN 81 -1.248 -4.170 -5.624 645 HA ASN 81 HA ASN 81 1.319 -5.245 -6.747 646 HB2 ASN 81 HB2 ASN 81 -0.864 -3.785 -8.087 647 HB3 ASN 81 HB3 ASN 81 0.658 -2.970 -8.241 648 HD21 ASN 81 HD21 ASN 81 -1.058 -5.898 -9.198 649 HD22 ASN 81 HD22 ASN 81 0.236 -6.494 -10.184 650 H VAL 82 HN VAL 82 2.863 -3.371 -7.352 651 HA VAL 82 HA VAL 82 3.110 -1.540 -5.025 652 HB VAL 82 HB VAL 82 5.402 -2.997 -6.422 653 HG11 VAL 82 HG11 VAL 82 6.636 -2.519 -4.346 654 HG12 VAL 82 HG12 VAL 82 6.052 -1.032 -5.099 655 HG13 VAL 82 HG13 VAL 82 5.207 -1.700 -3.683 656 HG21 VAL 82 HG21 VAL 82 3.896 -3.947 -3.941 657 HG22 VAL 82 HG22 VAL 82 4.050 -4.814 -5.489 658 HG23 VAL 82 HG23 VAL 82 5.463 -4.578 -4.484 659 H GLU 83 HN GLU 83 4.186 0.498 -5.582 660 HA GLU 83 HA GLU 83 5.296 0.994 -8.187 661 HB2 GLU 83 HB2 GLU 83 2.593 1.908 -7.360 662 HB3 GLU 83 HB3 GLU 83 3.644 3.251 -7.757 663 HG2 GLU 83 HG2 GLU 83 4.153 2.284 -9.918 664 HG3 GLU 83 HG3 GLU 83 3.114 0.892 -9.598 665 H PHE 84 HN PHE 84 6.044 3.394 -8.050 666 HA PHE 84 HA PHE 84 6.793 4.155 -5.280 667 HB2 PHE 84 HB2 PHE 84 8.505 2.580 -6.203 668 HB3 PHE 84 HB3 PHE 84 8.844 3.727 -7.481 669 HD1 PHE 84 HD1 PHE 84 8.343 4.216 -3.731 670 HD2 PHE 84 HD2 PHE 84 11.068 4.383 -7.081 671 HE1 PHE 84 HE1 PHE 84 10.165 4.947 -2.230 672 HE2 PHE 84 HE2 PHE 84 12.865 5.125 -5.581 673 HZ PHE 84 HZ PHE 84 12.419 5.428 -3.137 674 H ALA 85 HN ALA 85 5.628 6.001 -5.363 675 HA ALA 85 HA ALA 85 6.088 8.025 -7.495 676 HB1 ALA 85 HB1 ALA 85 3.807 7.791 -6.822 677 HB2 ALA 85 HB2 ALA 85 4.213 7.972 -5.096 678 HB3 ALA 85 HB3 ALA 85 4.415 9.341 -6.222 679 H LYS 86 HN LYS 86 8.363 7.725 -6.803 680 HA LYS 86 HA LYS 86 9.261 9.175 -4.415 681 HB2 LYS 86 HB2 LYS 86 10.527 7.306 -5.427 682 HB3 LYS 86 HB3 LYS 86 10.614 8.156 -6.962 683 HG2 LYS 86 HG2 LYS 86 12.686 8.351 -5.943 684 HG3 LYS 86 HG3 LYS 86 11.961 9.956 -5.847 685 HD2 LYS 86 HD2 LYS 86 11.584 9.719 -3.447 686 HD3 LYS 86 HD3 LYS 86 11.879 7.970 -3.541 687 HE2 LYS 86 HE2 LYS 86 13.920 8.762 -2.713 688 HE3 LYS 86 HE3 LYS 86 14.228 8.539 -4.435 689 HZ1 LYS 86 HZ1 LYS 86 13.864 10.994 -2.906 690 HZ2 LYS 86 HZ2 LYS 86 13.624 11.030 -4.556 691 HZ3 LYS 86 HZ3 LYS 86 15.080 10.612 -3.931 692 H GLY 87 HN GLY 87 7.859 11.076 -4.797 693 HA2 GLY 87 HA1 GLY 87 8.110 12.724 -7.148 694 HA3 GLY 87 HA2 GLY 87 7.526 13.257 -5.567 695 H SER 88 HN SER 88 9.129 13.804 -3.941 696 HA SER 88 HA SER 88 10.941 14.816 -3.111 697 HB2 SER 88 HB2 SER 88 13.256 14.232 -4.348 698 HB3 SER 88 HB3 SER 88 12.516 13.237 -3.109 699 HG SER 88 HG SER 88 11.788 12.830 -5.783 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 6.654 18.348 1.733 2 HA2 GLY 1 HA1 GLY 1 8.408 16.938 0.878 3 HA3 GLY 1 HA2 GLY 1 7.150 15.919 1.584 4 H HIS 2 HN HIS 2 5.885 14.601 0.190 5 HA HIS 2 HA HIS 2 5.484 13.268 -1.558 6 HB2 HIS 2 HB2 HIS 2 5.663 15.865 -3.089 7 HB3 HIS 2 HB3 HIS 2 5.197 14.341 -3.804 8 HD1 HIS 2 HD1 HIS 2 2.720 13.765 -3.756 9 HD2 HIS 2 HD2 HIS 2 3.882 16.742 -1.047 10 HE1 HIS 2 HE1 HIS 2 0.563 14.614 -2.660 11 H MET 3 HN MET 3 8.018 13.040 -0.668 12 HA MET 3 HA MET 3 9.449 12.039 -3.087 13 HB2 MET 3 HB2 MET 3 11.436 12.021 -1.756 14 HB3 MET 3 HB3 MET 3 10.825 13.648 -1.870 15 HG2 MET 3 HG2 MET 3 10.097 11.951 0.529 16 HG3 MET 3 HG3 MET 3 11.671 12.730 0.441 17 HE1 MET 3 HE1 MET 3 11.036 13.710 2.817 18 HE2 MET 3 HE2 MET 3 9.616 14.733 3.119 19 HE3 MET 3 HE3 MET 3 9.404 13.016 2.735 20 H ASP 4 HN ASP 4 10.370 9.841 -2.589 21 HA ASP 4 HA ASP 4 9.951 7.689 -2.273 22 HB2 ASP 4 HB2 ASP 4 10.619 7.645 0.395 23 HB3 ASP 4 HB3 ASP 4 11.608 7.497 -1.055 24 H THR 5 HN THR 5 8.054 7.193 -2.728 25 HA THR 5 HA THR 5 6.226 6.742 -0.472 26 HB THR 5 HB THR 5 5.405 8.152 -3.013 27 HG1 THR 5 HG1 THR 5 6.541 9.346 -1.286 28 HG21 THR 5 HG21 THR 5 3.583 6.673 -2.164 29 HG22 THR 5 HG22 THR 5 3.196 8.388 -2.078 30 HG23 THR 5 HG23 THR 5 3.676 7.519 -0.601 31 H ILE 6 HN ILE 6 5.443 4.676 -0.526 32 HA ILE 6 HA ILE 6 5.830 3.084 -3.003 33 HB ILE 6 HB ILE 6 5.277 2.076 -0.195 34 HG12 ILE 6 HG12 ILE 6 7.938 2.130 -1.665 35 HG13 ILE 6 HG13 ILE 6 7.500 3.126 -0.274 36 HG21 ILE 6 HG21 ILE 6 4.450 0.611 -2.008 37 HG22 ILE 6 HG22 ILE 6 6.058 0.596 -2.731 38 HG23 ILE 6 HG23 ILE 6 5.774 -0.143 -1.137 39 HD11 ILE 6 HD11 ILE 6 7.852 0.117 -0.279 40 HD12 ILE 6 HD12 ILE 6 8.783 1.339 0.595 41 HD13 ILE 6 HD13 ILE 6 7.105 1.029 1.058 42 H ILE 7 HN ILE 7 4.025 3.017 -4.182 43 HA ILE 7 HA ILE 7 1.386 3.545 -2.952 44 HB ILE 7 HB ILE 7 2.228 3.663 -5.849 45 HG12 ILE 7 HG12 ILE 7 1.291 6.139 -5.265 46 HG13 ILE 7 HG13 ILE 7 1.934 5.673 -3.700 47 HG21 ILE 7 HG21 ILE 7 -0.523 4.334 -4.765 48 HG22 ILE 7 HG22 ILE 7 0.059 4.519 -6.429 49 HG23 ILE 7 HG23 ILE 7 -0.123 2.906 -5.756 50 HD11 ILE 7 HD11 ILE 7 4.154 5.199 -4.878 51 HD12 ILE 7 HD12 ILE 7 3.408 5.867 -6.341 52 HD13 ILE 7 HD13 ILE 7 3.594 6.874 -4.885 53 H LEU 8 HN LEU 8 -0.351 2.094 -3.483 54 HA LEU 8 HA LEU 8 0.479 -0.695 -4.121 55 HB2 LEU 8 HB2 LEU 8 -1.704 0.169 -2.182 56 HB3 LEU 8 HB3 LEU 8 -1.387 -1.472 -2.723 57 HG LEU 8 HG LEU 8 0.877 -1.354 -1.611 58 HD11 LEU 8 HD11 LEU 8 0.905 0.264 0.359 59 HD12 LEU 8 HD12 LEU 8 -0.322 1.221 -0.471 60 HD13 LEU 8 HD13 LEU 8 1.285 0.982 -1.193 61 HD21 LEU 8 HD21 LEU 8 -1.046 -2.548 -0.683 62 HD22 LEU 8 HD22 LEU 8 -1.679 -1.057 0.061 63 HD23 LEU 8 HD23 LEU 8 -0.156 -1.772 0.622 64 H ARG 9 HN ARG 9 -1.308 -1.869 -5.271 65 HA ARG 9 HA ARG 9 -3.599 -0.217 -6.225 66 HB2 ARG 9 HB2 ARG 9 -1.751 -1.752 -8.101 67 HB3 ARG 9 HB3 ARG 9 -3.257 -0.986 -8.578 68 HG2 ARG 9 HG2 ARG 9 -2.305 1.216 -8.159 69 HG3 ARG 9 HG3 ARG 9 -0.908 0.480 -7.395 70 HD2 ARG 9 HD2 ARG 9 0.163 0.515 -9.330 71 HD3 ARG 9 HD3 ARG 9 -0.927 -0.750 -9.900 72 HE ARG 9 HE ARG 9 -0.983 2.133 -10.478 73 HH11 ARG 9 HH11 ARG 9 -2.233 -1.040 -11.392 74 HH12 ARG 9 HH12 ARG 9 -3.697 -0.455 -12.102 75 HH21 ARG 9 HH21 ARG 9 -2.523 2.939 -11.920 76 HH22 ARG 9 HH22 ARG 9 -3.637 1.903 -12.753 77 H ASN 10 HN ASN 10 -5.196 -1.608 -7.375 78 HA ASN 10 HA ASN 10 -6.558 -3.343 -7.578 79 HB2 ASN 10 HB2 ASN 10 -4.580 -4.442 -8.634 80 HB3 ASN 10 HB3 ASN 10 -4.181 -5.185 -7.083 81 HD21 ASN 10 HD21 ASN 10 -4.747 -7.310 -7.266 82 HD22 ASN 10 HD22 ASN 10 -6.222 -7.944 -7.975 83 H LEU 11 HN LEU 11 -6.435 -1.998 -5.104 84 HA LEU 11 HA LEU 11 -6.877 -3.999 -2.988 85 HB2 LEU 11 HB2 LEU 11 -7.556 -1.050 -3.205 86 HB3 LEU 11 HB3 LEU 11 -7.726 -1.984 -1.775 87 HG LEU 11 HG LEU 11 -5.810 -0.307 -2.033 88 HD11 LEU 11 HD11 LEU 11 -4.234 -1.708 -0.650 89 HD12 LEU 11 HD12 LEU 11 -5.261 -3.116 -1.010 90 HD13 LEU 11 HD13 LEU 11 -5.931 -1.718 -0.142 91 HD21 LEU 11 HD21 LEU 11 -4.832 -1.076 -4.152 92 HD22 LEU 11 HD22 LEU 11 -4.268 -2.545 -3.330 93 HD23 LEU 11 HD23 LEU 11 -3.687 -0.955 -2.807 94 H ASN 12 HN ASN 12 -8.938 -4.994 -2.734 95 HA ASN 12 HA ASN 12 -11.024 -4.463 -4.709 96 HB2 ASN 12 HB2 ASN 12 -10.625 -6.395 -2.480 97 HB3 ASN 12 HB3 ASN 12 -12.205 -5.732 -2.416 98 HD21 ASN 12 HD21 ASN 12 -12.412 -8.322 -2.782 99 HD22 ASN 12 HD22 ASN 12 -12.830 -8.612 -4.417 100 HA PRO 13 HA PRO 13 -12.784 -1.017 -2.610 101 HB2 PRO 13 HB2 PRO 13 -15.470 -1.300 -3.221 102 HB3 PRO 13 HB3 PRO 13 -14.240 -0.708 -4.359 103 HG2 PRO 13 HG2 PRO 13 -15.395 -3.486 -4.054 104 HG3 PRO 13 HG3 PRO 13 -15.098 -2.571 -5.569 105 HD2 PRO 13 HD2 PRO 13 -13.389 -4.468 -4.695 106 HD3 PRO 13 HD3 PRO 13 -12.786 -2.972 -5.476 107 H HIS 14 HN HIS 14 -13.848 -4.257 -1.757 108 HA HIS 14 HA HIS 14 -15.410 -3.714 0.528 109 HB2 HIS 14 HB2 HIS 14 -13.427 -6.000 0.148 110 HB3 HIS 14 HB3 HIS 14 -14.809 -5.974 1.219 111 HD1 HIS 14 HD1 HIS 14 -14.279 -8.146 -1.222 112 HD2 HIS 14 HD2 HIS 14 -16.938 -4.867 -1.040 113 HE1 HIS 14 HE1 HIS 14 -16.134 -8.653 -2.836 114 H SER 15 HN SER 15 -11.846 -3.851 0.134 115 HA SER 15 HA SER 15 -11.344 -4.071 2.929 116 HB2 SER 15 HB2 SER 15 -8.983 -3.524 2.291 117 HB3 SER 15 HB3 SER 15 -9.720 -4.885 1.471 118 HG SER 15 HG SER 15 -10.093 -3.435 -0.331 119 H THR 16 HN THR 16 -10.161 -2.596 4.306 120 HA THR 16 HA THR 16 -10.673 0.259 3.674 121 HB THR 16 HB THR 16 -10.417 0.628 6.173 122 HG1 THR 16 HG1 THR 16 -11.135 -2.091 6.455 123 HG21 THR 16 HG21 THR 16 -12.691 0.067 6.735 124 HG22 THR 16 HG22 THR 16 -12.764 -1.109 5.405 125 HG23 THR 16 HG23 THR 16 -12.612 0.606 5.034 126 H MET 17 HN MET 17 -8.576 -1.268 6.056 127 HA MET 17 HA MET 17 -6.056 -0.494 4.734 128 HB2 MET 17 HB2 MET 17 -7.046 1.634 5.527 129 HB3 MET 17 HB3 MET 17 -7.230 0.959 7.142 130 HG2 MET 17 HG2 MET 17 -4.783 0.829 7.395 131 HG3 MET 17 HG3 MET 17 -4.559 1.277 5.701 132 HE1 MET 17 HE1 MET 17 -6.369 4.241 8.792 133 HE2 MET 17 HE2 MET 17 -7.398 3.103 7.903 134 HE3 MET 17 HE3 MET 17 -6.207 2.493 9.072 135 H ASP 18 HN ASP 18 -7.384 -0.889 8.111 136 HA ASP 18 HA ASP 18 -5.114 -2.352 8.943 137 HB2 ASP 18 HB2 ASP 18 -7.660 -1.425 10.080 138 HB3 ASP 18 HB3 ASP 18 -7.201 -3.014 10.696 139 H SER 19 HN SER 19 -8.160 -3.408 7.495 140 HA SER 19 HA SER 19 -7.944 -6.209 7.929 141 HB2 SER 19 HB2 SER 19 -9.512 -6.175 5.899 142 HB3 SER 19 HB3 SER 19 -10.047 -5.355 7.366 143 HG SER 19 HG SER 19 -10.499 -3.991 5.813 144 H ILE 20 HN ILE 20 -6.213 -4.073 5.791 145 HA ILE 20 HA ILE 20 -5.274 -6.285 4.066 146 HB ILE 20 HB ILE 20 -4.626 -3.326 4.034 147 HG12 ILE 20 HG12 ILE 20 -6.153 -4.644 1.808 148 HG13 ILE 20 HG13 ILE 20 -7.057 -4.285 3.277 149 HG21 ILE 20 HG21 ILE 20 -3.839 -5.460 2.028 150 HG22 ILE 20 HG22 ILE 20 -3.634 -3.709 1.801 151 HG23 ILE 20 HG23 ILE 20 -2.771 -4.538 3.090 152 HD11 ILE 20 HD11 ILE 20 -7.115 -2.410 1.636 153 HD12 ILE 20 HD12 ILE 20 -6.550 -1.986 3.236 154 HD13 ILE 20 HD13 ILE 20 -5.364 -2.162 1.939 155 H LEU 21 HN LEU 21 -4.067 -3.841 6.461 156 HA LEU 21 HA LEU 21 -1.399 -4.669 6.410 157 HB2 LEU 21 HB2 LEU 21 -3.082 -3.433 8.611 158 HB3 LEU 21 HB3 LEU 21 -1.452 -3.965 8.954 159 HG LEU 21 HG LEU 21 -1.456 -1.611 8.566 160 HD11 LEU 21 HD11 LEU 21 -0.109 -2.979 6.186 161 HD12 LEU 21 HD12 LEU 21 0.542 -2.874 7.834 162 HD13 LEU 21 HD13 LEU 21 0.294 -1.407 6.881 163 HD21 LEU 21 HD21 LEU 21 -3.364 -1.289 7.196 164 HD22 LEU 21 HD22 LEU 21 -2.592 -2.094 5.802 165 HD23 LEU 21 HD23 LEU 21 -1.968 -0.547 6.445 166 H GLY 22 HN GLY 22 -4.076 -6.225 8.190 167 HA2 GLY 22 HA1 GLY 22 -2.346 -7.962 9.668 168 HA3 GLY 22 HA2 GLY 22 -4.078 -8.234 9.385 169 H ALA 23 HN ALA 23 -3.026 -8.109 6.275 170 HA ALA 23 HA ALA 23 -1.895 -10.850 6.183 171 HB1 ALA 23 HB1 ALA 23 -3.563 -11.430 4.427 172 HB2 ALA 23 HB2 ALA 23 -4.293 -11.199 6.051 173 HB3 ALA 23 HB3 ALA 23 -4.415 -9.924 4.818 174 H LEU 24 HN LEU 24 -1.345 -7.811 5.341 175 HA LEU 24 HA LEU 24 0.103 -8.733 2.948 176 HB2 LEU 24 HB2 LEU 24 -1.889 -7.090 2.537 177 HB3 LEU 24 HB3 LEU 24 -0.857 -5.871 3.258 178 HG LEU 24 HG LEU 24 0.919 -6.608 1.428 179 HD11 LEU 24 HD11 LEU 24 -0.104 -7.502 -0.631 180 HD12 LEU 24 HD12 LEU 24 -1.620 -7.804 0.260 181 HD13 LEU 24 HD13 LEU 24 -0.131 -8.644 0.708 182 HD21 LEU 24 HD21 LEU 24 -0.212 -4.447 1.452 183 HD22 LEU 24 HD22 LEU 24 -1.620 -5.147 0.635 184 HD23 LEU 24 HD23 LEU 24 -0.031 -5.072 -0.186 185 H ALA 25 HN ALA 25 0.924 -8.496 5.885 186 HA ALA 25 HA ALA 25 3.128 -6.475 5.635 187 HB1 ALA 25 HB1 ALA 25 2.772 -5.751 7.810 188 HB2 ALA 25 HB2 ALA 25 1.241 -5.575 6.928 189 HB3 ALA 25 HB3 ALA 25 1.466 -6.915 8.099 190 HA PRO 26 HA PRO 26 4.639 -10.634 7.138 191 HB2 PRO 26 HB2 PRO 26 6.185 -11.470 5.032 192 HB3 PRO 26 HB3 PRO 26 4.425 -11.793 5.173 193 HG2 PRO 26 HG2 PRO 26 5.764 -9.590 3.589 194 HG3 PRO 26 HG3 PRO 26 4.471 -10.714 3.060 195 HD2 PRO 26 HD2 PRO 26 3.999 -8.175 3.969 196 HD3 PRO 26 HD3 PRO 26 2.866 -9.534 4.273 197 H TYR 27 HN TYR 27 6.405 -8.083 5.293 198 HA TYR 27 HA TYR 27 8.767 -8.502 7.092 199 HB2 TYR 27 HB2 TYR 27 8.911 -7.399 4.286 200 HB3 TYR 27 HB3 TYR 27 10.211 -7.970 5.288 201 HD1 TYR 27 HD1 TYR 27 7.811 -8.806 2.780 202 HD2 TYR 27 HD2 TYR 27 10.270 -10.546 5.852 203 HE1 TYR 27 HE1 TYR 27 7.517 -10.983 1.726 204 HE2 TYR 27 HE2 TYR 27 10.117 -12.753 4.719 205 HH TYR 27 HH TYR 27 8.209 -13.225 1.721 206 H ALA 28 HN ALA 28 6.554 -6.093 5.697 207 HA ALA 28 HA ALA 28 7.814 -4.078 7.486 208 HB1 ALA 28 HB1 ALA 28 8.475 -3.321 5.340 209 HB2 ALA 28 HB2 ALA 28 6.875 -3.644 4.621 210 HB3 ALA 28 HB3 ALA 28 7.091 -2.344 5.821 211 H VAL 29 HN VAL 29 6.474 -4.036 9.065 212 HA VAL 29 HA VAL 29 3.539 -3.916 8.593 213 HB VAL 29 HB VAL 29 5.136 -4.192 11.179 214 HG11 VAL 29 HG11 VAL 29 2.927 -3.158 11.552 215 HG12 VAL 29 HG12 VAL 29 2.139 -4.416 10.574 216 HG13 VAL 29 HG13 VAL 29 2.920 -4.809 12.140 217 HG21 VAL 29 HG21 VAL 29 5.261 -6.239 9.665 218 HG22 VAL 29 HG22 VAL 29 4.440 -6.511 11.202 219 HG23 VAL 29 HG23 VAL 29 3.497 -6.317 9.741 220 H LEU 30 HN LEU 30 2.941 -1.866 8.058 221 HA LEU 30 HA LEU 30 4.291 0.496 9.178 222 HB2 LEU 30 HB2 LEU 30 1.756 0.151 7.491 223 HB3 LEU 30 HB3 LEU 30 2.425 1.659 7.997 224 HG LEU 30 HG LEU 30 3.025 1.480 5.803 225 HD11 LEU 30 HD11 LEU 30 5.529 0.564 7.286 226 HD12 LEU 30 HD12 LEU 30 4.904 2.231 7.256 227 HD13 LEU 30 HD13 LEU 30 5.470 1.451 5.766 228 HD21 LEU 30 HD21 LEU 30 2.587 -0.943 5.499 229 HD22 LEU 30 HD22 LEU 30 4.207 -1.294 6.152 230 HD23 LEU 30 HD23 LEU 30 4.033 -0.352 4.667 231 H SER 31 HN SER 31 3.109 2.091 10.403 232 HA SER 31 HA SER 31 1.490 1.086 12.537 233 HB2 SER 31 HB2 SER 31 3.229 3.037 12.414 234 HB3 SER 31 HB3 SER 31 1.875 4.015 11.878 235 HG SER 31 HG SER 31 0.983 3.854 13.817 236 H SER 32 HN SER 32 0.086 0.529 10.145 237 HA SER 32 HA SER 32 -1.818 0.763 8.955 238 HB2 SER 32 HB2 SER 32 -2.726 0.340 11.185 239 HB3 SER 32 HB3 SER 32 -2.847 2.077 11.506 240 HG SER 32 HG SER 32 -4.725 0.716 10.634 241 H SER 33 HN SER 33 -1.857 3.961 10.638 242 HA SER 33 HA SER 33 -3.113 5.329 8.565 243 HB2 SER 33 HB2 SER 33 -3.020 6.073 10.869 244 HB3 SER 33 HB3 SER 33 -1.266 6.337 10.768 245 HG SER 33 HG SER 33 -1.577 8.095 9.535 246 H ASN 34 HN ASN 34 0.402 4.717 8.912 247 HA ASN 34 HA ASN 34 1.468 6.521 7.067 248 HB2 ASN 34 HB2 ASN 34 2.143 3.691 7.834 249 HB3 ASN 34 HB3 ASN 34 3.111 4.564 6.659 250 HD21 ASN 34 HD21 ASN 34 4.816 5.688 7.492 251 HD22 ASN 34 HD22 ASN 34 4.949 6.153 9.196 252 H VAL 35 HN VAL 35 -0.540 3.659 6.518 253 HA VAL 35 HA VAL 35 -0.227 3.762 3.614 254 HB VAL 35 HB VAL 35 -2.132 2.077 5.294 255 HG11 VAL 35 HG11 VAL 35 -2.215 0.696 3.240 256 HG12 VAL 35 HG12 VAL 35 -2.763 2.355 2.945 257 HG13 VAL 35 HG13 VAL 35 -1.127 1.855 2.423 258 HG21 VAL 35 HG21 VAL 35 0.081 1.423 5.988 259 HG22 VAL 35 HG22 VAL 35 -0.463 0.227 4.807 260 HG23 VAL 35 HG23 VAL 35 0.677 1.487 4.316 261 H ARG 36 HN ARG 36 -0.948 5.799 3.087 262 HA ARG 36 HA ARG 36 -3.505 6.926 3.825 263 HB2 ARG 36 HB2 ARG 36 -1.417 7.988 2.560 264 HB3 ARG 36 HB3 ARG 36 -2.259 7.398 1.142 265 HG2 ARG 36 HG2 ARG 36 -3.319 9.385 3.170 266 HG3 ARG 36 HG3 ARG 36 -2.879 9.673 1.478 267 HD2 ARG 36 HD2 ARG 36 -4.708 7.809 1.035 268 HD3 ARG 36 HD3 ARG 36 -5.274 8.256 2.640 269 HE ARG 36 HE ARG 36 -4.890 10.192 0.399 270 HH11 ARG 36 HH11 ARG 36 -7.124 8.701 2.748 271 HH12 ARG 36 HH12 ARG 36 -8.315 9.934 2.656 272 HH21 ARG 36 HH21 ARG 36 -6.556 11.836 0.202 273 HH22 ARG 36 HH22 ARG 36 -7.852 11.857 1.369 274 H VAL 37 HN VAL 37 -5.343 5.849 3.563 275 HA VAL 37 HA VAL 37 -5.920 4.666 0.885 276 HB VAL 37 HB VAL 37 -7.299 4.037 3.531 277 HG11 VAL 37 HG11 VAL 37 -8.485 2.306 2.244 278 HG12 VAL 37 HG12 VAL 37 -8.807 3.878 1.547 279 HG13 VAL 37 HG13 VAL 37 -7.637 2.795 0.762 280 HG21 VAL 37 HG21 VAL 37 -5.090 2.999 3.535 281 HG22 VAL 37 HG22 VAL 37 -6.311 1.763 3.233 282 HG23 VAL 37 HG23 VAL 37 -5.359 2.368 1.888 283 H ILE 38 HN ILE 38 -7.330 5.869 -0.326 284 HA ILE 38 HA ILE 38 -8.954 7.981 0.968 285 HB ILE 38 HB ILE 38 -8.963 7.264 -1.974 286 HG12 ILE 38 HG12 ILE 38 -7.088 9.393 -0.889 287 HG13 ILE 38 HG13 ILE 38 -6.526 7.779 -1.320 288 HG21 ILE 38 HG21 ILE 38 -9.441 9.870 -0.437 289 HG22 ILE 38 HG22 ILE 38 -9.730 9.612 -2.161 290 HG23 ILE 38 HG23 ILE 38 -10.714 8.756 -0.992 291 HD11 ILE 38 HD11 ILE 38 -6.090 9.194 -3.169 292 HD12 ILE 38 HD12 ILE 38 -7.455 8.155 -3.633 293 HD13 ILE 38 HD13 ILE 38 -7.735 9.846 -3.164 294 H LYS 39 HN LYS 39 -11.089 7.536 1.381 295 HA LYS 39 HA LYS 39 -12.272 5.051 0.248 296 HB2 LYS 39 HB2 LYS 39 -13.532 6.528 2.586 297 HB3 LYS 39 HB3 LYS 39 -13.880 4.951 1.925 298 HG2 LYS 39 HG2 LYS 39 -12.715 4.271 3.750 299 HG3 LYS 39 HG3 LYS 39 -11.374 4.375 2.610 300 HD2 LYS 39 HD2 LYS 39 -10.938 6.738 3.544 301 HD3 LYS 39 HD3 LYS 39 -12.222 6.421 4.710 302 HE2 LYS 39 HE2 LYS 39 -10.815 4.246 5.239 303 HE3 LYS 39 HE3 LYS 39 -9.491 5.121 4.432 304 HZ1 LYS 39 HZ1 LYS 39 -10.961 5.859 6.877 305 HZ2 LYS 39 HZ2 LYS 39 -10.028 6.963 6.090 306 HZ3 LYS 39 HZ3 LYS 39 -9.340 5.614 6.709 307 H ASP 40 HN ASP 40 -14.261 5.342 -0.904 308 HA ASP 40 HA ASP 40 -14.567 7.841 -2.292 309 HB2 ASP 40 HB2 ASP 40 -15.455 5.244 -2.674 310 HB3 ASP 40 HB3 ASP 40 -16.916 6.039 -2.026 311 H LYS 41 HN LYS 41 -15.738 6.522 0.630 312 HA LYS 41 HA LYS 41 -16.843 7.239 2.426 313 HB2 LYS 41 HB2 LYS 41 -17.187 10.000 1.205 314 HB3 LYS 41 HB3 LYS 41 -17.305 9.532 2.896 315 HG2 LYS 41 HG2 LYS 41 -14.792 8.725 2.563 316 HG3 LYS 41 HG3 LYS 41 -14.864 9.744 1.122 317 HD2 LYS 41 HD2 LYS 41 -13.928 11.118 2.745 318 HD3 LYS 41 HD3 LYS 41 -15.623 11.648 2.674 319 HE2 LYS 41 HE2 LYS 41 -16.125 10.240 4.668 320 HE3 LYS 41 HE3 LYS 41 -14.447 9.678 4.699 321 HZ1 LYS 41 HZ1 LYS 41 -14.753 11.432 6.268 322 HZ2 LYS 41 HZ2 LYS 41 -15.360 12.446 5.100 323 HZ3 LYS 41 HZ3 LYS 41 -13.786 12.021 5.048 324 H GLN 42 HN GLN 42 -18.576 8.587 -0.467 325 HA GLN 42 HA GLN 42 -21.029 8.435 0.801 326 HB2 GLN 42 HB2 GLN 42 -20.117 9.426 -1.573 327 HB3 GLN 42 HB3 GLN 42 -20.825 7.948 -2.186 328 HG2 GLN 42 HG2 GLN 42 -22.532 9.561 -2.319 329 HG3 GLN 42 HG3 GLN 42 -22.956 8.574 -0.917 330 HE21 GLN 42 HE21 GLN 42 -23.033 9.634 1.165 331 HE22 GLN 42 HE22 GLN 42 -22.491 11.271 1.408 332 H THR 43 HN THR 43 -19.305 6.027 -1.086 333 HA THR 43 HA THR 43 -21.437 4.059 -0.981 334 HB THR 43 HB THR 43 -19.990 2.875 -2.541 335 HG1 THR 43 HG1 THR 43 -18.004 3.891 -3.097 336 HG21 THR 43 HG21 THR 43 -21.304 4.957 -3.313 337 HG22 THR 43 HG22 THR 43 -19.959 4.431 -4.318 338 HG23 THR 43 HG23 THR 43 -19.770 5.837 -3.261 339 H GLN 44 HN GLN 44 -18.974 4.964 1.068 340 HA GLN 44 HA GLN 44 -17.701 4.163 2.677 341 HB2 GLN 44 HB2 GLN 44 -19.198 1.498 2.420 342 HB3 GLN 44 HB3 GLN 44 -18.075 1.906 3.686 343 HG2 GLN 44 HG2 GLN 44 -20.686 3.379 3.160 344 HG3 GLN 44 HG3 GLN 44 -20.411 2.166 4.404 345 HE21 GLN 44 HE21 GLN 44 -20.521 5.490 4.002 346 HE22 GLN 44 HE22 GLN 44 -19.664 5.801 5.521 347 H LEU 45 HN LEU 45 -17.650 2.746 -0.417 348 HA LEU 45 HA LEU 45 -15.665 0.735 -0.031 349 HB2 LEU 45 HB2 LEU 45 -16.253 2.318 -2.555 350 HB3 LEU 45 HB3 LEU 45 -15.493 0.743 -2.442 351 HG LEU 45 HG LEU 45 -18.392 1.394 -1.765 352 HD11 LEU 45 HD11 LEU 45 -17.240 -0.120 -4.118 353 HD12 LEU 45 HD12 LEU 45 -17.837 1.552 -4.150 354 HD13 LEU 45 HD13 LEU 45 -18.960 0.232 -3.811 355 HD21 LEU 45 HD21 LEU 45 -17.042 -1.321 -1.754 356 HD22 LEU 45 HD22 LEU 45 -18.789 -1.010 -1.621 357 HD23 LEU 45 HD23 LEU 45 -17.683 -0.455 -0.360 358 H ASN 46 HN ASN 46 -13.581 0.843 -1.292 359 HA ASN 46 HA ASN 46 -12.175 3.418 -0.892 360 HB2 ASN 46 HB2 ASN 46 -10.146 2.276 -0.695 361 HB3 ASN 46 HB3 ASN 46 -11.323 1.429 0.312 362 HD21 ASN 46 HD21 ASN 46 -10.889 -0.757 0.289 363 HD22 ASN 46 HD22 ASN 46 -10.504 -1.627 -1.170 364 H ARG 47 HN ARG 47 -10.330 3.757 -2.485 365 HA ARG 47 HA ARG 47 -11.595 3.818 -5.158 366 HB2 ARG 47 HB2 ARG 47 -9.227 5.341 -3.991 367 HB3 ARG 47 HB3 ARG 47 -9.757 5.474 -5.664 368 HG2 ARG 47 HG2 ARG 47 -12.089 5.836 -3.939 369 HG3 ARG 47 HG3 ARG 47 -10.784 6.872 -3.381 370 HD2 ARG 47 HD2 ARG 47 -12.193 8.057 -4.956 371 HD3 ARG 47 HD3 ARG 47 -10.563 7.869 -5.634 372 HE ARG 47 HE ARG 47 -12.180 5.717 -6.524 373 HH11 ARG 47 HH11 ARG 47 -12.270 9.281 -6.856 374 HH12 ARG 47 HH12 ARG 47 -12.916 9.227 -8.439 375 HH21 ARG 47 HH21 ARG 47 -13.096 5.682 -8.641 376 HH22 ARG 47 HH22 ARG 47 -13.334 7.136 -9.507 377 H GLY 48 HN GLY 48 -9.253 1.842 -3.610 378 HA2 GLY 48 HA1 GLY 48 -8.791 -0.147 -4.617 379 HA3 GLY 48 HA2 GLY 48 -8.892 0.577 -6.195 380 H PHE 49 HN PHE 49 -6.957 2.327 -3.988 381 HA PHE 49 HA PHE 49 -4.410 0.983 -4.476 382 HB2 PHE 49 HB2 PHE 49 -3.381 3.138 -5.339 383 HB3 PHE 49 HB3 PHE 49 -4.366 2.242 -6.461 384 HD1 PHE 49 HD1 PHE 49 -6.494 3.082 -7.251 385 HD2 PHE 49 HD2 PHE 49 -4.066 5.290 -4.497 386 HE1 PHE 49 HE1 PHE 49 -7.912 5.100 -7.632 387 HE2 PHE 49 HE2 PHE 49 -5.465 7.339 -4.888 388 HZ PHE 49 HZ PHE 49 -7.383 7.245 -6.442 389 H ALA 50 HN ALA 50 -2.657 2.372 -3.210 390 HA ALA 50 HA ALA 50 -3.719 4.095 -1.141 391 HB1 ALA 50 HB1 ALA 50 -2.592 1.365 -0.333 392 HB2 ALA 50 HB2 ALA 50 -2.976 2.685 0.749 393 HB3 ALA 50 HB3 ALA 50 -4.293 1.905 -0.136 394 H PHE 51 HN PHE 51 -1.750 4.668 0.388 395 HA PHE 51 HA PHE 51 0.789 4.751 -1.205 396 HB2 PHE 51 HB2 PHE 51 -0.504 7.146 0.136 397 HB3 PHE 51 HB3 PHE 51 0.946 7.140 -0.760 398 HD1 PHE 51 HD1 PHE 51 0.914 7.593 -3.103 399 HD2 PHE 51 HD2 PHE 51 -2.756 6.679 -1.039 400 HE1 PHE 51 HE1 PHE 51 -0.361 8.204 -5.098 401 HE2 PHE 51 HE2 PHE 51 -4.053 7.337 -3.023 402 HZ PHE 51 HZ PHE 51 -2.872 8.093 -5.094 403 H ILE 52 HN ILE 52 2.174 3.668 0.264 404 HA ILE 52 HA ILE 52 2.097 4.091 3.155 405 HB ILE 52 HB ILE 52 4.121 2.871 1.315 406 HG12 ILE 52 HG12 ILE 52 2.517 1.192 3.209 407 HG13 ILE 52 HG13 ILE 52 1.759 1.697 1.711 408 HG21 ILE 52 HG21 ILE 52 4.102 2.935 4.332 409 HG22 ILE 52 HG22 ILE 52 5.073 1.775 3.391 410 HG23 ILE 52 HG23 ILE 52 5.363 3.499 3.211 411 HD11 ILE 52 HD11 ILE 52 3.492 0.612 0.390 412 HD12 ILE 52 HD12 ILE 52 4.427 0.215 1.849 413 HD13 ILE 52 HD13 ILE 52 2.847 -0.542 1.566 414 H GLN 53 HN GLN 53 3.375 5.649 4.280 415 HA GLN 53 HA GLN 53 5.515 7.030 2.723 416 HB2 GLN 53 HB2 GLN 53 3.818 7.991 5.077 417 HB3 GLN 53 HB3 GLN 53 5.318 8.728 4.557 418 HG2 GLN 53 HG2 GLN 53 3.662 10.050 3.559 419 HG3 GLN 53 HG3 GLN 53 4.262 9.044 2.243 420 HE21 GLN 53 HE21 GLN 53 2.737 7.747 1.177 421 HE22 GLN 53 HE22 GLN 53 1.209 7.291 1.901 422 H LEU 54 HN LEU 54 7.541 6.895 3.616 423 HA LEU 54 HA LEU 54 8.004 5.690 6.233 424 HB2 LEU 54 HB2 LEU 54 8.759 4.481 3.561 425 HB3 LEU 54 HB3 LEU 54 9.851 4.271 4.919 426 HG LEU 54 HG LEU 54 6.944 3.378 4.889 427 HD11 LEU 54 HD11 LEU 54 9.511 1.774 4.549 428 HD12 LEU 54 HD12 LEU 54 8.291 2.083 3.294 429 HD13 LEU 54 HD13 LEU 54 7.884 1.096 4.712 430 HD21 LEU 54 HD21 LEU 54 9.202 2.992 6.899 431 HD22 LEU 54 HD22 LEU 54 7.702 2.043 6.901 432 HD23 LEU 54 HD23 LEU 54 7.609 3.785 7.151 433 H SER 55 HN SER 55 10.516 5.767 6.563 434 HA SER 55 HA SER 55 11.633 8.350 6.158 435 HB2 SER 55 HB2 SER 55 12.349 5.783 7.336 436 HB3 SER 55 HB3 SER 55 13.676 6.336 6.313 437 HG SER 55 HG SER 55 14.036 7.170 8.231 438 H THR 56 HN THR 56 13.495 8.924 4.735 439 HA THR 56 HA THR 56 12.850 8.566 2.122 440 HB THR 56 HB THR 56 15.638 9.263 3.137 441 HG1 THR 56 HG1 THR 56 14.879 11.174 3.831 442 HG21 THR 56 HG21 THR 56 15.135 9.324 0.632 443 HG22 THR 56 HG22 THR 56 15.695 10.853 1.335 444 HG23 THR 56 HG23 THR 56 13.971 10.611 0.995 445 H ILE 57 HN ILE 57 15.678 7.141 3.777 446 HA ILE 57 HA ILE 57 16.314 5.413 1.584 447 HB ILE 57 HB ILE 57 17.271 5.416 4.445 448 HG12 ILE 57 HG12 ILE 57 18.498 6.561 1.910 449 HG13 ILE 57 HG13 ILE 57 17.708 7.524 3.160 450 HG21 ILE 57 HG21 ILE 57 17.656 3.255 3.529 451 HG22 ILE 57 HG22 ILE 57 18.277 3.928 1.994 452 HG23 ILE 57 HG23 ILE 57 19.196 4.073 3.511 453 HD11 ILE 57 HD11 ILE 57 20.051 7.681 3.415 454 HD12 ILE 57 HD12 ILE 57 19.383 6.814 4.811 455 HD13 ILE 57 HD13 ILE 57 20.272 5.940 3.518 456 H GLU 58 HN GLU 58 14.475 4.948 4.640 457 HA GLU 58 HA GLU 58 14.290 2.146 4.495 458 HB2 GLU 58 HB2 GLU 58 12.346 4.238 5.587 459 HB3 GLU 58 HB3 GLU 58 12.117 2.506 5.810 460 HG2 GLU 58 HG2 GLU 58 14.656 3.891 6.701 461 HG3 GLU 58 HG3 GLU 58 13.227 3.745 7.695 462 H ALA 59 HN ALA 59 12.020 4.550 3.196 463 HA ALA 59 HA ALA 59 10.144 2.876 1.973 464 HB1 ALA 59 HB1 ALA 59 9.756 4.723 0.376 465 HB2 ALA 59 HB2 ALA 59 10.004 5.400 1.990 466 HB3 ALA 59 HB3 ALA 59 11.315 5.460 0.806 467 H ALA 60 HN ALA 60 13.193 4.123 0.578 468 HA ALA 60 HA ALA 60 12.885 2.721 -1.889 469 HB1 ALA 60 HB1 ALA 60 14.233 4.846 -1.530 470 HB2 ALA 60 HB2 ALA 60 15.415 3.898 -0.608 471 HB3 ALA 60 HB3 ALA 60 15.166 3.577 -2.343 472 H GLN 61 HN GLN 61 14.657 1.889 1.089 473 HA GLN 61 HA GLN 61 16.077 -0.373 -0.003 474 HB2 GLN 61 HB2 GLN 61 15.227 0.419 2.820 475 HB3 GLN 61 HB3 GLN 61 16.107 -1.083 2.475 476 HG2 GLN 61 HG2 GLN 61 17.924 0.201 1.426 477 HG3 GLN 61 HG3 GLN 61 17.127 1.705 1.826 478 HE21 GLN 61 HE21 GLN 61 16.216 1.053 4.603 479 HE22 GLN 61 HE22 GLN 61 17.620 0.845 5.538 480 H LEU 62 HN LEU 62 13.167 -0.172 2.089 481 HA LEU 62 HA LEU 62 12.695 -2.932 2.194 482 HB2 LEU 62 HB2 LEU 62 11.664 -0.754 3.440 483 HB3 LEU 62 HB3 LEU 62 10.371 -1.008 2.305 484 HG LEU 62 HG LEU 62 9.667 -2.023 4.062 485 HD11 LEU 62 HD11 LEU 62 9.581 -4.475 3.760 486 HD12 LEU 62 HD12 LEU 62 10.958 -4.393 2.667 487 HD13 LEU 62 HD13 LEU 62 9.443 -3.569 2.237 488 HD21 LEU 62 HD21 LEU 62 12.382 -3.327 4.619 489 HD22 LEU 62 HD22 LEU 62 10.931 -3.543 5.612 490 HD23 LEU 62 HD23 LEU 62 11.678 -1.949 5.490 491 H LEU 63 HN LEU 63 11.518 -0.472 -0.103 492 HA LEU 63 HA LEU 63 9.631 -1.972 -1.451 493 HB2 LEU 63 HB2 LEU 63 10.022 0.425 -1.875 494 HB3 LEU 63 HB3 LEU 63 11.627 0.050 -2.507 495 HG LEU 63 HG LEU 63 10.114 -1.481 -4.210 496 HD11 LEU 63 HD11 LEU 63 8.098 -0.300 -4.866 497 HD12 LEU 63 HD12 LEU 63 8.366 0.936 -3.627 498 HD13 LEU 63 HD13 LEU 63 7.991 -0.727 -3.145 499 HD21 LEU 63 HD21 LEU 63 10.861 1.441 -4.404 500 HD22 LEU 63 HD22 LEU 63 10.329 0.460 -5.791 501 HD23 LEU 63 HD23 LEU 63 11.806 0.046 -4.923 502 H GLN 64 HN GLN 64 13.184 -1.874 -1.979 503 HA GLN 64 HA GLN 64 13.232 -3.471 -4.363 504 HB2 GLN 64 HB2 GLN 64 15.331 -3.072 -2.183 505 HB3 GLN 64 HB3 GLN 64 15.650 -3.817 -3.745 506 HG2 GLN 64 HG2 GLN 64 14.739 -0.968 -3.372 507 HG3 GLN 64 HG3 GLN 64 16.416 -1.455 -3.507 508 HE21 GLN 64 HE21 GLN 64 13.382 -0.931 -5.185 509 HE22 GLN 64 HE22 GLN 64 14.175 -0.700 -6.730 510 H ILE 65 HN ILE 65 13.078 -4.292 -0.924 511 HA ILE 65 HA ILE 65 14.077 -6.968 -1.070 512 HB ILE 65 HB ILE 65 12.179 -5.717 0.962 513 HG12 ILE 65 HG12 ILE 65 15.239 -5.894 0.906 514 HG13 ILE 65 HG13 ILE 65 14.260 -4.425 0.772 515 HG21 ILE 65 HG21 ILE 65 13.973 -8.138 1.288 516 HG22 ILE 65 HG22 ILE 65 12.892 -7.437 2.514 517 HG23 ILE 65 HG23 ILE 65 12.200 -8.163 1.086 518 HD11 ILE 65 HD11 ILE 65 13.367 -4.944 3.114 519 HD12 ILE 65 HD12 ILE 65 14.692 -6.123 3.234 520 HD13 ILE 65 HD13 ILE 65 15.053 -4.416 2.972 521 H LEU 66 HN LEU 66 10.700 -5.743 -0.870 522 HA LEU 66 HA LEU 66 9.374 -8.116 -1.633 523 HB2 LEU 66 HB2 LEU 66 8.582 -5.228 -2.122 524 HB3 LEU 66 HB3 LEU 66 7.552 -6.598 -2.442 525 HG LEU 66 HG LEU 66 6.808 -5.672 -0.426 526 HD11 LEU 66 HD11 LEU 66 8.471 -8.027 0.527 527 HD12 LEU 66 HD12 LEU 66 7.019 -8.201 -0.477 528 HD13 LEU 66 HD13 LEU 66 6.900 -7.461 1.126 529 HD21 LEU 66 HD21 LEU 66 8.058 -5.257 1.530 530 HD22 LEU 66 HD22 LEU 66 8.822 -4.405 0.183 531 HD23 LEU 66 HD23 LEU 66 9.556 -5.897 0.827 532 H GLN 67 HN GLN 67 11.031 -5.756 -3.656 533 HA GLN 67 HA GLN 67 9.784 -6.739 -6.155 534 HB2 GLN 67 HB2 GLN 67 11.953 -4.672 -5.574 535 HB3 GLN 67 HB3 GLN 67 11.471 -5.127 -7.210 536 HG2 GLN 67 HG2 GLN 67 9.112 -4.570 -6.647 537 HG3 GLN 67 HG3 GLN 67 9.621 -3.942 -5.109 538 HE21 GLN 67 HE21 GLN 67 8.300 -2.180 -6.625 539 HE22 GLN 67 HE22 GLN 67 9.339 -1.024 -7.370 540 H ALA 68 HN ALA 68 11.735 -8.325 -4.307 541 HA ALA 68 HA ALA 68 13.227 -9.592 -6.559 542 HB1 ALA 68 HB1 ALA 68 14.344 -8.924 -3.806 543 HB2 ALA 68 HB2 ALA 68 15.175 -9.830 -5.081 544 HB3 ALA 68 HB3 ALA 68 14.741 -8.122 -5.337 545 H LEU 69 HN LEU 69 11.830 -9.982 -3.274 546 HA LEU 69 HA LEU 69 12.015 -12.892 -3.419 547 HB2 LEU 69 HB2 LEU 69 10.816 -12.914 -1.317 548 HB3 LEU 69 HB3 LEU 69 12.157 -11.804 -1.285 549 HG LEU 69 HG LEU 69 10.088 -10.113 -2.013 550 HD11 LEU 69 HD11 LEU 69 8.938 -11.994 0.082 551 HD12 LEU 69 HD12 LEU 69 8.366 -11.900 -1.573 552 HD13 LEU 69 HD13 LEU 69 8.213 -10.479 -0.540 553 HD21 LEU 69 HD21 LEU 69 10.831 -10.816 0.863 554 HD22 LEU 69 HD22 LEU 69 10.235 -9.258 0.243 555 HD23 LEU 69 HD23 LEU 69 11.821 -9.837 -0.225 556 H HIS 70 HN HIS 70 9.675 -13.865 -2.716 557 HA HIS 70 HA HIS 70 8.182 -14.286 -5.007 558 HB2 HIS 70 HB2 HIS 70 7.861 -14.766 -2.077 559 HB3 HIS 70 HB3 HIS 70 6.359 -14.725 -2.961 560 HD1 HIS 70 HD1 HIS 70 5.635 -17.010 -4.052 561 HD2 HIS 70 HD2 HIS 70 9.799 -16.614 -3.299 562 HE1 HIS 70 HE1 HIS 70 6.662 -19.251 -4.521 563 HA PRO 71 HA PRO 71 5.409 -10.937 -5.566 564 HB2 PRO 71 HB2 PRO 71 2.978 -12.125 -6.165 565 HB3 PRO 71 HB3 PRO 71 4.358 -12.018 -7.282 566 HG2 PRO 71 HG2 PRO 71 3.605 -14.317 -5.453 567 HG3 PRO 71 HG3 PRO 71 4.019 -14.399 -7.198 568 HD2 PRO 71 HD2 PRO 71 5.844 -14.961 -5.318 569 HD3 PRO 71 HD3 PRO 71 6.320 -13.985 -6.742 570 HA PRO 72 HA PRO 72 3.084 -10.054 -1.969 571 HB2 PRO 72 HB2 PRO 72 1.051 -8.380 -2.824 572 HB3 PRO 72 HB3 PRO 72 2.791 -7.910 -2.754 573 HG2 PRO 72 HG2 PRO 72 1.186 -8.941 -5.093 574 HG3 PRO 72 HG3 PRO 72 2.303 -7.528 -5.058 575 HD2 PRO 72 HD2 PRO 72 3.001 -9.957 -6.027 576 HD3 PRO 72 HD3 PRO 72 4.177 -8.959 -5.155 577 H LEU 73 HN LEU 73 1.017 -10.004 -0.915 578 HA LEU 73 HA LEU 73 -0.504 -12.453 -1.334 579 HB2 LEU 73 HB2 LEU 73 0.450 -10.830 0.863 580 HB3 LEU 73 HB3 LEU 73 -1.287 -10.828 0.975 581 HG LEU 73 HG LEU 73 0.219 -13.416 0.541 582 HD11 LEU 73 HD11 LEU 73 1.282 -12.208 2.489 583 HD12 LEU 73 HD12 LEU 73 0.554 -13.777 2.841 584 HD13 LEU 73 HD13 LEU 73 -0.288 -12.299 3.313 585 HD21 LEU 73 HD21 LEU 73 -2.253 -13.477 0.426 586 HD22 LEU 73 HD22 LEU 73 -2.337 -12.732 2.047 587 HD23 LEU 73 HD23 LEU 73 -1.661 -14.375 1.816 588 H THR 74 HN THR 74 -2.857 -12.091 -0.407 589 HA THR 74 HA THR 74 -4.316 -9.891 -1.590 590 HB THR 74 HB THR 74 -4.531 -11.379 -3.458 591 HG1 THR 74 HG1 THR 74 -6.545 -12.480 -3.096 592 HG21 THR 74 HG21 THR 74 -3.397 -13.321 -2.765 593 HG22 THR 74 HG22 THR 74 -5.045 -13.786 -3.178 594 HG23 THR 74 HG23 THR 74 -4.590 -13.621 -1.467 595 H ILE 75 HN ILE 75 -6.508 -9.910 -0.515 596 HA ILE 75 HA ILE 75 -6.771 -11.737 1.807 597 HB ILE 75 HB ILE 75 -7.496 -8.809 1.845 598 HG12 ILE 75 HG12 ILE 75 -5.397 -8.613 3.413 599 HG13 ILE 75 HG13 ILE 75 -4.754 -9.927 2.472 600 HG21 ILE 75 HG21 ILE 75 -8.477 -10.249 3.634 601 HG22 ILE 75 HG22 ILE 75 -6.841 -10.749 4.098 602 HG23 ILE 75 HG23 ILE 75 -7.361 -9.076 4.294 603 HD11 ILE 75 HD11 ILE 75 -5.496 -7.090 1.631 604 HD12 ILE 75 HD12 ILE 75 -3.900 -7.807 1.780 605 HD13 ILE 75 HD13 ILE 75 -4.959 -8.332 0.458 606 H ASP 76 HN ASP 76 -7.964 -11.299 -1.064 607 HA ASP 76 HA ASP 76 -10.787 -11.628 -0.609 608 HB2 ASP 76 HB2 ASP 76 -10.010 -9.049 -0.073 609 HB3 ASP 76 HB3 ASP 76 -10.376 -8.873 -1.745 610 H GLY 77 HN GLY 77 -8.802 -12.880 -2.209 611 HA2 GLY 77 HA1 GLY 77 -8.250 -13.582 -4.299 612 HA3 GLY 77 HA2 GLY 77 -9.882 -13.074 -4.766 613 H LYS 78 HN LYS 78 -7.826 -10.535 -3.694 614 HA LYS 78 HA LYS 78 -7.237 -9.625 -6.460 615 HB2 LYS 78 HB2 LYS 78 -7.184 -7.341 -5.359 616 HB3 LYS 78 HB3 LYS 78 -8.694 -8.099 -5.746 617 HG2 LYS 78 HG2 LYS 78 -9.031 -7.068 -3.790 618 HG3 LYS 78 HG3 LYS 78 -9.019 -8.739 -3.374 619 HD2 LYS 78 HD2 LYS 78 -6.869 -8.474 -2.276 620 HD3 LYS 78 HD3 LYS 78 -6.775 -6.772 -2.849 621 HE2 LYS 78 HE2 LYS 78 -9.037 -6.548 -1.465 622 HE3 LYS 78 HE3 LYS 78 -8.563 -8.074 -0.768 623 HZ1 LYS 78 HZ1 LYS 78 -7.882 -6.420 0.677 624 HZ2 LYS 78 HZ2 LYS 78 -7.178 -5.507 -0.492 625 HZ3 LYS 78 HZ3 LYS 78 -6.511 -6.948 -0.019 626 H THR 79 HN THR 79 -5.091 -10.379 -6.792 627 HA THR 79 HA THR 79 -3.195 -10.284 -4.664 628 HB THR 79 HB THR 79 -2.377 -10.069 -7.547 629 HG1 THR 79 HG1 THR 79 -3.085 -11.886 -8.067 630 HG21 THR 79 HG21 THR 79 -1.313 -11.739 -5.228 631 HG22 THR 79 HG22 THR 79 -0.686 -10.137 -5.694 632 HG23 THR 79 HG23 THR 79 -0.542 -11.491 -6.815 633 H ILE 80 HN ILE 80 -2.312 -8.456 -3.758 634 HA ILE 80 HA ILE 80 -3.015 -5.883 -4.830 635 HB ILE 80 HB ILE 80 -0.970 -6.655 -2.707 636 HG12 ILE 80 HG12 ILE 80 -3.201 -7.531 -2.101 637 HG13 ILE 80 HG13 ILE 80 -2.702 -6.234 -1.042 638 HG21 ILE 80 HG21 ILE 80 -1.572 -4.334 -1.772 639 HG22 ILE 80 HG22 ILE 80 -0.512 -4.389 -3.175 640 HG23 ILE 80 HG23 ILE 80 -2.227 -3.966 -3.364 641 HD11 ILE 80 HD11 ILE 80 -5.034 -5.994 -1.552 642 HD12 ILE 80 HD12 ILE 80 -4.168 -4.640 -2.266 643 HD13 ILE 80 HD13 ILE 80 -4.702 -5.982 -3.302 644 H ASN 81 HN ASN 81 -1.458 -4.221 -5.578 645 HA ASN 81 HA ASN 81 1.030 -5.337 -6.781 646 HB2 ASN 81 HB2 ASN 81 -1.092 -3.736 -8.122 647 HB3 ASN 81 HB3 ASN 81 0.471 -3.006 -8.213 648 HD21 ASN 81 HD21 ASN 81 -1.400 -5.554 -9.730 649 HD22 ASN 81 HD22 ASN 81 0.026 -6.180 -10.553 650 H VAL 82 HN VAL 82 2.721 -3.648 -7.047 651 HA VAL 82 HA VAL 82 2.748 -1.774 -4.745 652 HB VAL 82 HB VAL 82 5.065 -3.481 -5.755 653 HG11 VAL 82 HG11 VAL 82 5.674 -1.342 -4.605 654 HG12 VAL 82 HG12 VAL 82 4.846 -1.929 -3.145 655 HG13 VAL 82 HG13 VAL 82 6.252 -2.807 -3.843 656 HG21 VAL 82 HG21 VAL 82 3.313 -3.955 -3.290 657 HG22 VAL 82 HG22 VAL 82 3.473 -5.033 -4.706 658 HG23 VAL 82 HG23 VAL 82 4.844 -4.789 -3.626 659 H GLU 83 HN GLU 83 3.761 0.227 -5.249 660 HA GLU 83 HA GLU 83 5.048 0.597 -7.862 661 HB2 GLU 83 HB2 GLU 83 2.445 1.732 -6.901 662 HB3 GLU 83 HB3 GLU 83 3.522 2.902 -7.557 663 HG2 GLU 83 HG2 GLU 83 2.794 0.404 -9.112 664 HG3 GLU 83 HG3 GLU 83 1.832 1.896 -9.122 665 H PHE 84 HN PHE 84 6.003 2.742 -7.889 666 HA PHE 84 HA PHE 84 6.891 3.788 -5.243 667 HB2 PHE 84 HB2 PHE 84 8.327 1.865 -5.881 668 HB3 PHE 84 HB3 PHE 84 8.781 2.681 -7.358 669 HD1 PHE 84 HD1 PHE 84 8.551 3.764 -3.716 670 HD2 PHE 84 HD2 PHE 84 11.058 3.236 -7.199 671 HE1 PHE 84 HE1 PHE 84 10.520 4.541 -2.429 672 HE2 PHE 84 HE2 PHE 84 13.012 4.016 -5.905 673 HZ PHE 84 HZ PHE 84 12.756 4.660 -3.523 674 H ALA 85 HN ALA 85 6.196 5.859 -5.555 675 HA ALA 85 HA ALA 85 7.125 7.320 -8.005 676 HB1 ALA 85 HB1 ALA 85 5.432 8.982 -7.547 677 HB2 ALA 85 HB2 ALA 85 4.675 7.379 -7.710 678 HB3 ALA 85 HB3 ALA 85 4.896 8.112 -6.108 679 H LYS 86 HN LYS 86 9.215 7.299 -7.155 680 HA LYS 86 HA LYS 86 9.744 8.550 -4.543 681 HB2 LYS 86 HB2 LYS 86 10.824 6.430 -5.475 682 HB3 LYS 86 HB3 LYS 86 11.691 7.438 -6.604 683 HG2 LYS 86 HG2 LYS 86 11.955 7.236 -3.611 684 HG3 LYS 86 HG3 LYS 86 13.179 7.040 -4.869 685 HD2 LYS 86 HD2 LYS 86 13.008 9.574 -5.226 686 HD3 LYS 86 HD3 LYS 86 12.061 9.624 -3.711 687 HE2 LYS 86 HE2 LYS 86 14.046 8.146 -2.770 688 HE3 LYS 86 HE3 LYS 86 14.924 8.684 -4.214 689 HZ1 LYS 86 HZ1 LYS 86 14.505 10.981 -3.438 690 HZ2 LYS 86 HZ2 LYS 86 15.396 10.105 -2.396 691 HZ3 LYS 86 HZ3 LYS 86 13.788 10.346 -2.065 692 H GLY 87 HN GLY 87 9.139 10.718 -4.936 693 HA2 GLY 87 HA1 GLY 87 10.171 12.492 -6.858 694 HA3 GLY 87 HA2 GLY 87 9.891 12.893 -5.145 695 H SER 88 HN SER 88 12.192 12.374 -7.569 696 HA SER 88 HA SER 88 14.501 12.616 -5.727 697 HB2 SER 88 HB2 SER 88 14.141 11.543 -8.463 698 HB3 SER 88 HB3 SER 88 15.582 12.534 -8.190 699 HG SER 88 HG SER 88 16.423 11.040 -7.045 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 14.266 16.687 1.966 2 HA2 GLY 1 HA1 GLY 1 12.070 17.608 2.604 3 HA3 GLY 1 HA2 GLY 1 12.014 16.736 1.058 4 H HIS 2 HN HIS 2 10.779 14.877 0.930 5 HA HIS 2 HA HIS 2 9.948 13.446 3.330 6 HB2 HIS 2 HB2 HIS 2 8.036 15.028 1.639 7 HB3 HIS 2 HB3 HIS 2 7.561 13.389 2.091 8 HD1 HIS 2 HD1 HIS 2 7.981 16.830 3.746 9 HD2 HIS 2 HD2 HIS 2 7.437 12.751 4.683 10 HE1 HIS 2 HE1 HIS 2 7.204 16.718 6.182 11 H MET 3 HN MET 3 9.191 13.697 -0.194 12 HA MET 3 HA MET 3 9.412 12.229 -1.889 13 HB2 MET 3 HB2 MET 3 11.505 11.250 -2.244 14 HB3 MET 3 HB3 MET 3 11.659 12.880 -1.669 15 HG2 MET 3 HG2 MET 3 12.429 12.070 0.501 16 HG3 MET 3 HG3 MET 3 12.171 10.402 -0.046 17 HE1 MET 3 HE1 MET 3 15.493 13.283 -1.562 18 HE2 MET 3 HE2 MET 3 13.819 13.509 -2.090 19 HE3 MET 3 HE3 MET 3 14.240 13.689 -0.373 20 H ASP 4 HN ASP 4 10.384 9.569 -2.033 21 HA ASP 4 HA ASP 4 9.738 7.532 -1.996 22 HB2 ASP 4 HB2 ASP 4 10.616 8.409 0.717 23 HB3 ASP 4 HB3 ASP 4 10.040 6.760 0.463 24 H THR 5 HN THR 5 7.793 7.270 -2.719 25 HA THR 5 HA THR 5 5.703 6.813 -0.701 26 HB THR 5 HB THR 5 4.996 7.467 -3.559 27 HG1 THR 5 HG1 THR 5 6.022 9.242 -3.149 28 HG21 THR 5 HG21 THR 5 3.224 6.576 -2.077 29 HG22 THR 5 HG22 THR 5 2.887 8.226 -2.616 30 HG23 THR 5 HG23 THR 5 3.499 7.938 -0.970 31 H ILE 6 HN ILE 6 4.714 4.733 -0.900 32 HA ILE 6 HA ILE 6 5.406 3.136 -3.321 33 HB ILE 6 HB ILE 6 4.955 2.013 -0.545 34 HG12 ILE 6 HG12 ILE 6 7.539 2.431 -2.096 35 HG13 ILE 6 HG13 ILE 6 7.072 3.156 -0.544 36 HG21 ILE 6 HG21 ILE 6 4.204 0.581 -2.483 37 HG22 ILE 6 HG22 ILE 6 5.867 0.629 -3.101 38 HG23 ILE 6 HG23 ILE 6 5.503 -0.140 -1.542 39 HD11 ILE 6 HD11 ILE 6 8.632 1.418 -0.095 40 HD12 ILE 6 HD12 ILE 6 7.045 0.891 0.491 41 HD13 ILE 6 HD13 ILE 6 7.719 0.237 -1.032 42 H ILE 7 HN ILE 7 3.616 2.842 -4.517 43 HA ILE 7 HA ILE 7 1.000 3.562 -3.282 44 HB ILE 7 HB ILE 7 1.724 3.534 -6.243 45 HG12 ILE 7 HG12 ILE 7 1.718 5.815 -4.217 46 HG13 ILE 7 HG13 ILE 7 3.091 5.228 -5.149 47 HG21 ILE 7 HG21 ILE 7 -0.664 4.735 -4.748 48 HG22 ILE 7 HG22 ILE 7 -0.411 4.737 -6.500 49 HG23 ILE 7 HG23 ILE 7 -0.703 3.231 -5.676 50 HD11 ILE 7 HD11 ILE 7 2.107 6.006 -7.238 51 HD12 ILE 7 HD12 ILE 7 0.692 6.635 -6.362 52 HD13 ILE 7 HD13 ILE 7 2.274 7.318 -6.043 53 H LEU 8 HN LEU 8 -0.615 2.103 -3.333 54 HA LEU 8 HA LEU 8 -0.015 -0.640 -4.356 55 HB2 LEU 8 HB2 LEU 8 -1.997 0.243 -2.230 56 HB3 LEU 8 HB3 LEU 8 -1.735 -1.407 -2.809 57 HG LEU 8 HG LEU 8 0.169 0.291 -1.145 58 HD11 LEU 8 HD11 LEU 8 -1.553 -2.179 -0.705 59 HD12 LEU 8 HD12 LEU 8 -1.673 -0.619 0.109 60 HD13 LEU 8 HD13 LEU 8 -0.287 -1.687 0.431 61 HD21 LEU 8 HD21 LEU 8 1.548 -1.046 -2.685 62 HD22 LEU 8 HD22 LEU 8 0.629 -2.506 -2.281 63 HD23 LEU 8 HD23 LEU 8 1.629 -1.716 -1.048 64 H ARG 9 HN ARG 9 -1.809 -1.728 -5.334 65 HA ARG 9 HA ARG 9 -4.226 -0.217 -6.042 66 HB2 ARG 9 HB2 ARG 9 -2.750 -1.709 -8.207 67 HB3 ARG 9 HB3 ARG 9 -4.226 -0.819 -8.357 68 HG2 ARG 9 HG2 ARG 9 -3.149 1.251 -8.441 69 HG3 ARG 9 HG3 ARG 9 -1.730 0.639 -7.620 70 HD2 ARG 9 HD2 ARG 9 -0.748 0.451 -9.599 71 HD3 ARG 9 HD3 ARG 9 -1.730 -0.960 -9.898 72 HE ARG 9 HE ARG 9 -1.658 1.341 -11.368 73 HH11 ARG 9 HH11 ARG 9 -4.182 -0.877 -10.295 74 HH12 ARG 9 HH12 ARG 9 -5.500 -0.081 -11.099 75 HH21 ARG 9 HH21 ARG 9 -3.276 2.172 -12.745 76 HH22 ARG 9 HH22 ARG 9 -4.934 1.741 -12.573 77 H ASN 10 HN ASN 10 -5.674 -1.878 -7.281 78 HA ASN 10 HA ASN 10 -6.961 -3.646 -7.112 79 HB2 ASN 10 HB2 ASN 10 -5.096 -4.803 -8.282 80 HB3 ASN 10 HB3 ASN 10 -4.486 -5.379 -6.756 81 HD21 ASN 10 HD21 ASN 10 -5.235 -7.541 -6.411 82 HD22 ASN 10 HD22 ASN 10 -6.810 -8.109 -6.974 83 H LEU 11 HN LEU 11 -6.633 -2.075 -4.769 84 HA LEU 11 HA LEU 11 -6.930 -3.955 -2.574 85 HB2 LEU 11 HB2 LEU 11 -7.706 -1.043 -3.053 86 HB3 LEU 11 HB3 LEU 11 -7.959 -1.879 -1.545 87 HG LEU 11 HG LEU 11 -5.990 -0.353 -1.709 88 HD11 LEU 11 HD11 LEU 11 -4.342 -1.900 -0.529 89 HD12 LEU 11 HD12 LEU 11 -5.419 -3.243 -0.941 90 HD13 LEU 11 HD13 LEU 11 -5.958 -1.945 0.127 91 HD21 LEU 11 HD21 LEU 11 -4.401 -2.400 -3.157 92 HD22 LEU 11 HD22 LEU 11 -3.967 -0.758 -2.646 93 HD23 LEU 11 HD23 LEU 11 -5.146 -0.984 -3.933 94 H ASN 12 HN ASN 12 -8.830 -4.978 -2.174 95 HA ASN 12 HA ASN 12 -11.116 -4.831 -4.029 96 HB2 ASN 12 HB2 ASN 12 -10.475 -6.492 -1.591 97 HB3 ASN 12 HB3 ASN 12 -12.150 -6.056 -1.836 98 HD21 ASN 12 HD21 ASN 12 -12.346 -8.385 -1.898 99 HD22 ASN 12 HD22 ASN 12 -12.238 -9.171 -3.467 100 HA PRO 13 HA PRO 13 -12.713 -1.403 -1.595 101 HB2 PRO 13 HB2 PRO 13 -15.332 -1.570 -2.155 102 HB3 PRO 13 HB3 PRO 13 -14.132 -1.086 -3.400 103 HG2 PRO 13 HG2 PRO 13 -15.485 -3.754 -2.953 104 HG3 PRO 13 HG3 PRO 13 -15.211 -2.870 -4.497 105 HD2 PRO 13 HD2 PRO 13 -13.596 -4.895 -3.541 106 HD3 PRO 13 HD3 PRO 13 -12.981 -3.577 -4.584 107 H HIS 14 HN HIS 14 -13.952 -4.726 -1.089 108 HA HIS 14 HA HIS 14 -15.344 -4.060 1.354 109 HB2 HIS 14 HB2 HIS 14 -14.442 -6.702 0.153 110 HB3 HIS 14 HB3 HIS 14 -15.442 -6.553 1.590 111 HD1 HIS 14 HD1 HIS 14 -16.523 -8.041 -0.961 112 HD2 HIS 14 HD2 HIS 14 -17.192 -3.994 -0.003 113 HE1 HIS 14 HE1 HIS 14 -18.762 -7.410 -2.006 114 H SER 15 HN SER 15 -12.049 -3.805 0.961 115 HA SER 15 HA SER 15 -11.543 -4.455 3.816 116 HB2 SER 15 HB2 SER 15 -10.075 -4.508 1.208 117 HB3 SER 15 HB3 SER 15 -9.167 -4.134 2.603 118 HG SER 15 HG SER 15 -10.418 -6.303 3.342 119 H THR 16 HN THR 16 -9.612 -2.951 4.554 120 HA THR 16 HA THR 16 -10.084 -0.123 3.769 121 HB THR 16 HB THR 16 -11.372 -0.239 5.621 122 HG1 THR 16 HG1 THR 16 -10.430 0.975 7.062 123 HG21 THR 16 HG21 THR 16 -10.985 -2.498 6.486 124 HG22 THR 16 HG22 THR 16 -10.853 -1.331 7.795 125 HG23 THR 16 HG23 THR 16 -9.376 -2.025 7.099 126 H MET 17 HN MET 17 -7.909 -1.396 6.285 127 HA MET 17 HA MET 17 -5.636 -1.524 4.471 128 HB2 MET 17 HB2 MET 17 -4.281 0.180 5.501 129 HB3 MET 17 HB3 MET 17 -5.785 0.864 4.917 130 HG2 MET 17 HG2 MET 17 -6.621 0.642 7.371 131 HG3 MET 17 HG3 MET 17 -4.901 0.460 7.757 132 HE1 MET 17 HE1 MET 17 -7.158 4.199 6.325 133 HE2 MET 17 HE2 MET 17 -7.273 2.637 5.492 134 HE3 MET 17 HE3 MET 17 -7.845 2.790 7.148 135 H ASP 18 HN ASP 18 -6.564 -1.199 7.929 136 HA ASP 18 HA ASP 18 -4.564 -2.673 9.076 137 HB2 ASP 18 HB2 ASP 18 -6.248 -1.307 10.250 138 HB3 ASP 18 HB3 ASP 18 -7.483 -2.519 9.895 139 H SER 19 HN SER 19 -7.450 -3.842 7.421 140 HA SER 19 HA SER 19 -7.530 -6.558 8.122 141 HB2 SER 19 HB2 SER 19 -8.157 -5.636 5.313 142 HB3 SER 19 HB3 SER 19 -9.071 -6.711 6.373 143 HG SER 19 HG SER 19 -9.774 -4.983 7.514 144 H ILE 20 HN ILE 20 -5.421 -4.846 5.969 145 HA ILE 20 HA ILE 20 -4.532 -7.245 4.478 146 HB ILE 20 HB ILE 20 -4.247 -4.261 3.953 147 HG12 ILE 20 HG12 ILE 20 -6.032 -6.273 2.544 148 HG13 ILE 20 HG13 ILE 20 -6.587 -5.102 3.752 149 HG21 ILE 20 HG21 ILE 20 -2.389 -5.668 2.938 150 HG22 ILE 20 HG22 ILE 20 -3.610 -6.331 1.843 151 HG23 ILE 20 HG23 ILE 20 -3.286 -4.612 1.858 152 HD11 ILE 20 HD11 ILE 20 -5.621 -3.259 2.282 153 HD12 ILE 20 HD12 ILE 20 -5.546 -4.502 0.999 154 HD13 ILE 20 HD13 ILE 20 -7.095 -4.064 1.760 155 H LEU 21 HN LEU 21 -3.371 -4.312 6.144 156 HA LEU 21 HA LEU 21 -0.649 -4.686 6.014 157 HB2 LEU 21 HB2 LEU 21 -2.473 -3.454 8.105 158 HB3 LEU 21 HB3 LEU 21 -0.730 -3.392 8.295 159 HG LEU 21 HG LEU 21 -2.233 -2.279 5.880 160 HD11 LEU 21 HD11 LEU 21 -0.980 -0.836 8.242 161 HD12 LEU 21 HD12 LEU 21 -2.719 -1.029 7.953 162 HD13 LEU 21 HD13 LEU 21 -1.750 -0.082 6.820 163 HD21 LEU 21 HD21 LEU 21 0.687 -2.338 6.719 164 HD22 LEU 21 HD22 LEU 21 0.044 -1.104 5.601 165 HD23 LEU 21 HD23 LEU 21 -0.020 -2.814 5.165 166 H GLY 22 HN GLY 22 -2.855 -6.202 8.361 167 HA2 GLY 22 HA1 GLY 22 -0.789 -7.261 10.004 168 HA3 GLY 22 HA2 GLY 22 -2.495 -7.767 9.974 169 H ALA 23 HN ALA 23 -1.750 -8.295 6.864 170 HA ALA 23 HA ALA 23 -0.268 -10.840 7.227 171 HB1 ALA 23 HB1 ALA 23 -1.939 -11.816 5.580 172 HB2 ALA 23 HB2 ALA 23 -2.565 -11.522 7.230 173 HB3 ALA 23 HB3 ALA 23 -2.943 -10.395 5.908 174 H LEU 24 HN LEU 24 -0.027 -7.939 5.979 175 HA LEU 24 HA LEU 24 1.218 -8.918 3.490 176 HB2 LEU 24 HB2 LEU 24 -0.864 -7.442 3.168 177 HB3 LEU 24 HB3 LEU 24 0.094 -6.124 3.862 178 HG LEU 24 HG LEU 24 1.832 -6.812 1.946 179 HD11 LEU 24 HD11 LEU 24 0.774 -7.658 -0.078 180 HD12 LEU 24 HD12 LEU 24 -0.779 -7.834 0.770 181 HD13 LEU 24 HD13 LEU 24 0.609 -8.838 1.231 182 HD21 LEU 24 HD21 LEU 24 0.684 -4.633 2.069 183 HD22 LEU 24 HD22 LEU 24 -0.744 -5.341 1.266 184 HD23 LEU 24 HD23 LEU 24 0.803 -5.221 0.411 185 H ALA 25 HN ALA 25 2.289 -8.830 6.228 186 HA ALA 25 HA ALA 25 4.362 -6.712 5.972 187 HB1 ALA 25 HB1 ALA 25 2.886 -7.684 8.429 188 HB2 ALA 25 HB2 ALA 25 4.264 -6.573 8.434 189 HB3 ALA 25 HB3 ALA 25 2.764 -6.098 7.641 190 HA PRO 26 HA PRO 26 6.398 -10.864 6.616 191 HB2 PRO 26 HB2 PRO 26 7.563 -11.308 4.181 192 HB3 PRO 26 HB3 PRO 26 5.924 -11.859 4.604 193 HG2 PRO 26 HG2 PRO 26 6.673 -9.340 3.081 194 HG3 PRO 26 HG3 PRO 26 5.441 -10.568 2.658 195 HD2 PRO 26 HD2 PRO 26 4.810 -8.254 3.941 196 HD3 PRO 26 HD3 PRO 26 3.980 -9.796 4.306 197 H TYR 27 HN TYR 27 7.278 -7.701 5.351 198 HA TYR 27 HA TYR 27 9.982 -7.986 6.570 199 HB2 TYR 27 HB2 TYR 27 9.637 -6.697 3.853 200 HB3 TYR 27 HB3 TYR 27 11.131 -7.090 4.688 201 HD1 TYR 27 HD1 TYR 27 11.722 -9.605 5.031 202 HD2 TYR 27 HD2 TYR 27 8.609 -8.220 2.410 203 HE1 TYR 27 HE1 TYR 27 11.578 -11.858 4.027 204 HE2 TYR 27 HE2 TYR 27 8.432 -10.463 1.403 205 HH TYR 27 HH TYR 27 8.973 -12.652 1.692 206 H ALA 28 HN ALA 28 7.248 -5.884 5.884 207 HA ALA 28 HA ALA 28 8.483 -3.786 7.530 208 HB1 ALA 28 HB1 ALA 28 8.728 -2.866 5.302 209 HB2 ALA 28 HB2 ALA 28 7.082 -3.394 4.842 210 HB3 ALA 28 HB3 ALA 28 7.292 -2.107 6.042 211 H VAL 29 HN VAL 29 6.972 -2.977 8.979 212 HA VAL 29 HA VAL 29 4.273 -4.209 8.910 213 HB VAL 29 HB VAL 29 5.914 -3.888 11.428 214 HG11 VAL 29 HG11 VAL 29 3.738 -5.874 10.649 215 HG12 VAL 29 HG12 VAL 29 4.447 -5.647 12.260 216 HG13 VAL 29 HG13 VAL 29 3.465 -4.367 11.537 217 HG21 VAL 29 HG21 VAL 29 6.093 -6.291 9.578 218 HG22 VAL 29 HG22 VAL 29 7.419 -5.257 10.153 219 HG23 VAL 29 HG23 VAL 29 6.552 -6.288 11.285 220 H LEU 30 HN LEU 30 3.110 -2.457 8.398 221 HA LEU 30 HA LEU 30 4.076 0.239 9.142 222 HB2 LEU 30 HB2 LEU 30 1.742 -0.542 7.368 223 HB3 LEU 30 HB3 LEU 30 2.460 1.052 7.488 224 HG LEU 30 HG LEU 30 3.983 -1.395 6.462 225 HD11 LEU 30 HD11 LEU 30 2.212 -0.997 4.930 226 HD12 LEU 30 HD12 LEU 30 3.693 -0.375 4.220 227 HD13 LEU 30 HD13 LEU 30 2.507 0.761 4.917 228 HD21 LEU 30 HD21 LEU 30 4.596 1.591 6.326 229 HD22 LEU 30 HD22 LEU 30 5.546 0.281 5.581 230 HD23 LEU 30 HD23 LEU 30 5.427 0.397 7.339 231 H SER 31 HN SER 31 2.522 1.960 9.917 232 HA SER 31 HA SER 31 1.121 0.790 12.210 233 HB2 SER 31 HB2 SER 31 1.771 3.696 11.608 234 HB3 SER 31 HB3 SER 31 1.484 2.958 13.185 235 HG SER 31 HG SER 31 3.698 3.457 12.463 236 H SER 32 HN SER 32 -0.271 0.883 9.557 237 HA SER 32 HA SER 32 -2.097 1.535 8.427 238 HB2 SER 32 HB2 SER 32 -3.337 2.386 11.044 239 HB3 SER 32 HB3 SER 32 -4.158 1.924 9.553 240 HG SER 32 HG SER 32 -3.154 0.435 11.560 241 H SER 33 HN SER 33 -1.303 4.197 10.772 242 HA SER 33 HA SER 33 -2.572 6.284 9.354 243 HB2 SER 33 HB2 SER 33 -0.838 7.687 10.608 244 HB3 SER 33 HB3 SER 33 -1.941 6.689 11.556 245 HG SER 33 HG SER 33 -0.345 5.601 12.312 246 H ASN 34 HN ASN 34 0.578 4.767 8.866 247 HA ASN 34 HA ASN 34 1.783 6.427 6.979 248 HB2 ASN 34 HB2 ASN 34 1.690 3.371 7.013 249 HB3 ASN 34 HB3 ASN 34 2.857 4.329 6.112 250 HD21 ASN 34 HD21 ASN 34 4.539 5.521 7.277 251 HD22 ASN 34 HD22 ASN 34 4.845 5.100 8.957 252 H VAL 35 HN VAL 35 -1.121 4.490 6.558 253 HA VAL 35 HA VAL 35 -0.699 4.365 3.635 254 HB VAL 35 HB VAL 35 -2.512 2.659 5.373 255 HG11 VAL 35 HG11 VAL 35 -1.505 2.352 2.509 256 HG12 VAL 35 HG12 VAL 35 -2.521 1.189 3.388 257 HG13 VAL 35 HG13 VAL 35 -3.157 2.797 2.998 258 HG21 VAL 35 HG21 VAL 35 -0.726 0.900 4.924 259 HG22 VAL 35 HG22 VAL 35 0.346 2.217 4.401 260 HG23 VAL 35 HG23 VAL 35 -0.260 2.157 6.077 261 H ARG 36 HN ARG 36 -1.501 6.184 2.804 262 HA ARG 36 HA ARG 36 -3.987 7.422 3.577 263 HB2 ARG 36 HB2 ARG 36 -1.906 7.776 1.508 264 HB3 ARG 36 HB3 ARG 36 -3.510 8.263 0.980 265 HG2 ARG 36 HG2 ARG 36 -2.182 9.248 3.551 266 HG3 ARG 36 HG3 ARG 36 -2.071 10.055 1.988 267 HD2 ARG 36 HD2 ARG 36 -4.658 10.039 1.971 268 HD3 ARG 36 HD3 ARG 36 -4.524 9.700 3.703 269 HE ARG 36 HE ARG 36 -3.124 12.010 2.426 270 HH11 ARG 36 HH11 ARG 36 -5.495 10.953 4.869 271 HH12 ARG 36 HH12 ARG 36 -5.267 12.315 5.893 272 HH21 ARG 36 HH21 ARG 36 -3.090 13.993 3.593 273 HH22 ARG 36 HH22 ARG 36 -3.987 14.124 5.067 274 H VAL 37 HN VAL 37 -5.814 6.232 3.527 275 HA VAL 37 HA VAL 37 -6.570 4.829 1.023 276 HB VAL 37 HB VAL 37 -7.494 4.201 3.847 277 HG11 VAL 37 HG11 VAL 37 -8.586 2.213 2.706 278 HG12 VAL 37 HG12 VAL 37 -9.316 3.764 2.270 279 HG13 VAL 37 HG13 VAL 37 -8.194 2.977 1.141 280 HG21 VAL 37 HG21 VAL 37 -6.410 1.962 3.202 281 HG22 VAL 37 HG22 VAL 37 -5.633 2.816 1.885 282 HG23 VAL 37 HG23 VAL 37 -5.310 3.293 3.576 283 H ILE 38 HN ILE 38 -7.337 6.581 -0.014 284 HA ILE 38 HA ILE 38 -9.420 8.297 1.106 285 HB ILE 38 HB ILE 38 -8.787 7.685 -1.815 286 HG12 ILE 38 HG12 ILE 38 -7.680 10.041 -0.223 287 HG13 ILE 38 HG13 ILE 38 -6.750 8.593 -0.602 288 HG21 ILE 38 HG21 ILE 38 -10.226 10.039 -0.470 289 HG22 ILE 38 HG22 ILE 38 -9.912 9.908 -2.212 290 HG23 ILE 38 HG23 ILE 38 -10.989 8.767 -1.443 291 HD11 ILE 38 HD11 ILE 38 -7.868 10.536 -2.646 292 HD12 ILE 38 HD12 ILE 38 -6.175 10.235 -2.228 293 HD13 ILE 38 HD13 ILE 38 -7.128 8.967 -3.034 294 H LYS 39 HN LYS 39 -11.660 7.903 0.815 295 HA LYS 39 HA LYS 39 -12.475 5.406 -0.507 296 HB2 LYS 39 HB2 LYS 39 -14.409 5.394 1.151 297 HB3 LYS 39 HB3 LYS 39 -12.874 4.786 1.741 298 HG2 LYS 39 HG2 LYS 39 -13.510 7.655 2.202 299 HG3 LYS 39 HG3 LYS 39 -14.411 6.466 3.150 300 HD2 LYS 39 HD2 LYS 39 -11.383 6.408 2.986 301 HD3 LYS 39 HD3 LYS 39 -12.220 7.429 4.165 302 HE2 LYS 39 HE2 LYS 39 -12.587 4.411 3.936 303 HE3 LYS 39 HE3 LYS 39 -11.401 5.175 4.980 304 HZ1 LYS 39 HZ1 LYS 39 -14.324 5.636 5.224 305 HZ2 LYS 39 HZ2 LYS 39 -13.130 6.187 6.245 306 HZ3 LYS 39 HZ3 LYS 39 -13.445 4.577 6.113 307 H ASP 40 HN ASP 40 -14.608 5.412 -1.268 308 HA ASP 40 HA ASP 40 -15.223 7.811 -2.755 309 HB2 ASP 40 HB2 ASP 40 -15.683 5.379 -3.449 310 HB3 ASP 40 HB3 ASP 40 -16.967 5.367 -2.222 311 H LYS 41 HN LYS 41 -17.460 8.863 -2.593 312 HA LYS 41 HA LYS 41 -18.185 9.263 0.293 313 HB2 LYS 41 HB2 LYS 41 -18.798 10.926 -2.196 314 HB3 LYS 41 HB3 LYS 41 -19.468 11.205 -0.585 315 HG2 LYS 41 HG2 LYS 41 -16.998 11.142 0.253 316 HG3 LYS 41 HG3 LYS 41 -16.565 11.437 -1.433 317 HD2 LYS 41 HD2 LYS 41 -17.545 13.589 -1.418 318 HD3 LYS 41 HD3 LYS 41 -18.597 13.210 -0.037 319 HE2 LYS 41 HE2 LYS 41 -16.835 14.668 0.733 320 HE3 LYS 41 HE3 LYS 41 -16.684 13.067 1.462 321 HZ1 LYS 41 HZ1 LYS 41 -14.575 13.754 0.797 322 HZ2 LYS 41 HZ2 LYS 41 -15.036 14.227 -0.690 323 HZ3 LYS 41 HZ3 LYS 41 -14.969 12.602 -0.282 324 H GLN 42 HN GLN 42 -19.372 7.727 -2.602 325 HA GLN 42 HA GLN 42 -22.161 8.181 -1.778 326 HB2 GLN 42 HB2 GLN 42 -21.065 7.214 -4.331 327 HB3 GLN 42 HB3 GLN 42 -22.734 7.672 -3.985 328 HG2 GLN 42 HG2 GLN 42 -21.924 9.998 -3.448 329 HG3 GLN 42 HG3 GLN 42 -20.288 9.518 -3.921 330 HE21 GLN 42 HE21 GLN 42 -23.520 9.077 -5.431 331 HE22 GLN 42 HE22 GLN 42 -22.999 9.616 -7.035 332 H THR 43 HN THR 43 -19.822 5.572 -2.543 333 HA THR 43 HA THR 43 -21.728 3.617 -1.315 334 HB THR 43 HB THR 43 -20.802 3.032 -3.484 335 HG1 THR 43 HG1 THR 43 -20.639 1.112 -3.088 336 HG21 THR 43 HG21 THR 43 -18.857 4.145 -3.797 337 HG22 THR 43 HG22 THR 43 -18.444 2.455 -3.796 338 HG23 THR 43 HG23 THR 43 -18.093 3.432 -2.365 339 H GLN 44 HN GLN 44 -19.000 5.520 -0.397 340 HA GLN 44 HA GLN 44 -17.594 5.550 1.349 341 HB2 GLN 44 HB2 GLN 44 -18.937 3.222 2.716 342 HB3 GLN 44 HB3 GLN 44 -17.907 4.463 3.401 343 HG2 GLN 44 HG2 GLN 44 -20.727 4.815 2.383 344 HG3 GLN 44 HG3 GLN 44 -20.178 4.901 4.053 345 HE21 GLN 44 HE21 GLN 44 -21.468 6.832 2.060 346 HE22 GLN 44 HE22 GLN 44 -20.513 8.305 2.106 347 H LEU 45 HN LEU 45 -17.759 2.857 -0.738 348 HA LEU 45 HA LEU 45 -15.751 1.165 0.355 349 HB2 LEU 45 HB2 LEU 45 -16.089 1.976 -2.553 350 HB3 LEU 45 HB3 LEU 45 -15.249 0.566 -1.970 351 HG LEU 45 HG LEU 45 -18.200 1.151 -1.745 352 HD11 LEU 45 HD11 LEU 45 -16.995 -1.088 -3.361 353 HD12 LEU 45 HD12 LEU 45 -17.143 0.560 -3.979 354 HD13 LEU 45 HD13 LEU 45 -18.595 -0.356 -3.455 355 HD21 LEU 45 HD21 LEU 45 -16.566 -1.100 -0.526 356 HD22 LEU 45 HD22 LEU 45 -18.236 -1.377 -0.998 357 HD23 LEU 45 HD23 LEU 45 -17.841 -0.124 0.188 358 H ASN 46 HN ASN 46 -13.528 1.148 0.137 359 HA ASN 46 HA ASN 46 -12.040 3.541 -0.201 360 HB2 ASN 46 HB2 ASN 46 -10.064 2.334 -0.052 361 HB3 ASN 46 HB3 ASN 46 -11.230 1.452 0.944 362 HD21 ASN 46 HD21 ASN 46 -11.091 -0.822 0.782 363 HD22 ASN 46 HD22 ASN 46 -10.487 -1.553 -0.662 364 H ARG 47 HN ARG 47 -10.410 3.865 -1.976 365 HA ARG 47 HA ARG 47 -11.916 3.925 -4.486 366 HB2 ARG 47 HB2 ARG 47 -9.201 5.164 -3.914 367 HB3 ARG 47 HB3 ARG 47 -10.178 5.386 -5.376 368 HG2 ARG 47 HG2 ARG 47 -12.045 6.044 -3.529 369 HG3 ARG 47 HG3 ARG 47 -10.603 6.515 -2.644 370 HD2 ARG 47 HD2 ARG 47 -11.507 7.499 -5.381 371 HD3 ARG 47 HD3 ARG 47 -11.586 8.392 -3.853 372 HE ARG 47 HE ARG 47 -8.882 7.663 -4.483 373 HH11 ARG 47 HH11 ARG 47 -11.499 9.844 -5.523 374 HH12 ARG 47 HH12 ARG 47 -10.459 11.092 -6.072 375 HH21 ARG 47 HH21 ARG 47 -7.422 9.415 -5.314 376 HH22 ARG 47 HH22 ARG 47 -8.132 10.788 -6.016 377 H GLY 48 HN GLY 48 -9.892 1.565 -3.370 378 HA2 GLY 48 HA1 GLY 48 -9.281 -0.340 -4.449 379 HA3 GLY 48 HA2 GLY 48 -9.451 0.457 -6.010 380 H PHE 49 HN PHE 49 -7.577 2.286 -3.817 381 HA PHE 49 HA PHE 49 -4.987 1.059 -4.323 382 HB2 PHE 49 HB2 PHE 49 -4.079 3.182 -5.287 383 HB3 PHE 49 HB3 PHE 49 -5.114 2.245 -6.348 384 HD1 PHE 49 HD1 PHE 49 -4.639 5.416 -4.605 385 HD2 PHE 49 HD2 PHE 49 -7.376 3.062 -6.966 386 HE1 PHE 49 HE1 PHE 49 -5.944 7.455 -5.133 387 HE2 PHE 49 HE2 PHE 49 -8.694 5.090 -7.471 388 HZ PHE 49 HZ PHE 49 -7.969 7.296 -6.609 389 H ALA 50 HN ALA 50 -3.266 2.400 -3.174 390 HA ALA 50 HA ALA 50 -4.183 4.217 -1.141 391 HB1 ALA 50 HB1 ALA 50 -4.649 1.992 -0.050 392 HB2 ALA 50 HB2 ALA 50 -2.927 1.586 -0.233 393 HB3 ALA 50 HB3 ALA 50 -3.430 2.957 0.783 394 H PHE 51 HN PHE 51 -2.231 4.983 0.157 395 HA PHE 51 HA PHE 51 0.267 4.866 -1.487 396 HB2 PHE 51 HB2 PHE 51 -0.951 7.329 -0.205 397 HB3 PHE 51 HB3 PHE 51 0.502 7.279 -1.120 398 HD1 PHE 51 HD1 PHE 51 -3.188 7.111 -1.199 399 HD2 PHE 51 HD2 PHE 51 0.401 7.384 -3.570 400 HE1 PHE 51 HE1 PHE 51 -4.549 7.713 -3.164 401 HE2 PHE 51 HE2 PHE 51 -0.963 7.981 -5.544 402 HZ PHE 51 HZ PHE 51 -3.431 8.109 -5.377 403 H ILE 52 HN ILE 52 1.682 3.854 -0.144 404 HA ILE 52 HA ILE 52 1.628 4.126 2.770 405 HB ILE 52 HB ILE 52 3.638 2.900 0.862 406 HG12 ILE 52 HG12 ILE 52 1.662 1.365 2.575 407 HG13 ILE 52 HG13 ILE 52 1.310 1.791 0.906 408 HG21 ILE 52 HG21 ILE 52 3.462 2.702 3.889 409 HG22 ILE 52 HG22 ILE 52 4.536 1.713 2.879 410 HG23 ILE 52 HG23 ILE 52 4.756 3.443 2.921 411 HD11 ILE 52 HD11 ILE 52 3.270 0.543 0.111 412 HD12 ILE 52 HD12 ILE 52 3.623 0.023 1.775 413 HD13 ILE 52 HD13 ILE 52 2.126 -0.475 0.982 414 H GLN 53 HN GLN 53 2.740 5.720 3.833 415 HA GLN 53 HA GLN 53 4.997 7.129 2.464 416 HB2 GLN 53 HB2 GLN 53 2.947 8.141 4.491 417 HB3 GLN 53 HB3 GLN 53 4.584 8.784 4.408 418 HG2 GLN 53 HG2 GLN 53 3.423 10.295 3.149 419 HG3 GLN 53 HG3 GLN 53 4.184 9.270 1.938 420 HE21 GLN 53 HE21 GLN 53 2.695 7.492 0.983 421 HE22 GLN 53 HE22 GLN 53 0.973 7.863 0.941 422 H LEU 54 HN LEU 54 6.444 5.580 2.982 423 HA LEU 54 HA LEU 54 6.938 4.895 5.820 424 HB2 LEU 54 HB2 LEU 54 7.807 3.787 3.174 425 HB3 LEU 54 HB3 LEU 54 9.055 3.848 4.399 426 HG LEU 54 HG LEU 54 6.369 2.470 4.719 427 HD11 LEU 54 HD11 LEU 54 7.859 1.345 3.095 428 HD12 LEU 54 HD12 LEU 54 7.685 0.380 4.560 429 HD13 LEU 54 HD13 LEU 54 9.163 1.315 4.296 430 HD21 LEU 54 HD21 LEU 54 8.772 2.667 6.594 431 HD22 LEU 54 HD22 LEU 54 7.529 1.426 6.743 432 HD23 LEU 54 HD23 LEU 54 7.082 3.102 6.937 433 H SER 55 HN SER 55 9.532 5.169 6.160 434 HA SER 55 HA SER 55 10.152 7.988 5.637 435 HB2 SER 55 HB2 SER 55 10.862 6.572 7.729 436 HB3 SER 55 HB3 SER 55 12.132 5.939 6.645 437 HG SER 55 HG SER 55 11.568 8.721 7.041 438 H THR 56 HN THR 56 12.518 8.286 4.665 439 HA THR 56 HA THR 56 12.315 7.652 1.947 440 HB THR 56 HB THR 56 14.627 8.632 1.862 441 HG1 THR 56 HG1 THR 56 15.420 9.487 3.815 442 HG21 THR 56 HG21 THR 56 12.466 10.000 2.017 443 HG22 THR 56 HG22 THR 56 13.966 10.829 2.484 444 HG23 THR 56 HG23 THR 56 12.828 10.245 3.730 445 H ILE 57 HN ILE 57 14.907 6.576 4.098 446 HA ILE 57 HA ILE 57 15.887 4.593 2.352 447 HB ILE 57 HB ILE 57 16.168 4.446 5.367 448 HG12 ILE 57 HG12 ILE 57 16.592 6.749 5.030 449 HG13 ILE 57 HG13 ILE 57 18.131 5.951 5.241 450 HG21 ILE 57 HG21 ILE 57 18.441 3.645 4.780 451 HG22 ILE 57 HG22 ILE 57 17.157 2.618 4.152 452 HG23 ILE 57 HG23 ILE 57 18.013 3.724 3.056 453 HD11 ILE 57 HD11 ILE 57 16.981 6.932 2.585 454 HD12 ILE 57 HD12 ILE 57 18.308 7.650 3.512 455 HD13 ILE 57 HD13 ILE 57 18.509 6.054 2.769 456 H GLU 58 HN GLU 58 13.573 4.406 5.005 457 HA GLU 58 HA GLU 58 13.178 1.670 5.239 458 HB2 GLU 58 HB2 GLU 58 11.133 3.879 5.473 459 HB3 GLU 58 HB3 GLU 58 10.885 2.230 6.027 460 HG2 GLU 58 HG2 GLU 58 13.167 3.936 7.083 461 HG3 GLU 58 HG3 GLU 58 11.521 4.039 7.703 462 H ALA 59 HN ALA 59 11.454 3.998 3.080 463 HA ALA 59 HA ALA 59 9.790 2.090 1.774 464 HB1 ALA 59 HB1 ALA 59 9.374 4.584 1.784 465 HB2 ALA 59 HB2 ALA 59 10.832 4.794 0.802 466 HB3 ALA 59 HB3 ALA 59 9.450 3.931 0.132 467 H ALA 60 HN ALA 60 12.867 3.675 0.846 468 HA ALA 60 HA ALA 60 13.135 2.566 -1.676 469 HB1 ALA 60 HB1 ALA 60 15.389 3.262 0.265 470 HB2 ALA 60 HB2 ALA 60 15.498 3.196 -1.513 471 HB3 ALA 60 HB3 ALA 60 14.498 4.430 -0.724 472 H GLN 61 HN GLN 61 14.473 1.276 1.407 473 HA GLN 61 HA GLN 61 15.705 -1.037 0.210 474 HB2 GLN 61 HB2 GLN 61 14.744 -0.460 3.043 475 HB3 GLN 61 HB3 GLN 61 15.565 -1.959 2.568 476 HG2 GLN 61 HG2 GLN 61 17.515 -0.587 1.766 477 HG3 GLN 61 HG3 GLN 61 16.743 0.848 2.443 478 HE21 GLN 61 HE21 GLN 61 15.676 -0.437 4.898 479 HE22 GLN 61 HE22 GLN 61 17.031 -0.959 5.847 480 H LEU 62 HN LEU 62 12.564 -0.655 1.971 481 HA LEU 62 HA LEU 62 11.709 -3.269 1.750 482 HB2 LEU 62 HB2 LEU 62 10.662 -1.585 3.131 483 HB3 LEU 62 HB3 LEU 62 10.068 -0.705 1.733 484 HG LEU 62 HG LEU 62 8.423 -2.045 3.030 485 HD11 LEU 62 HD11 LEU 62 7.931 -1.303 0.768 486 HD12 LEU 62 HD12 LEU 62 7.070 -2.766 1.244 487 HD13 LEU 62 HD13 LEU 62 8.448 -2.871 0.132 488 HD21 LEU 62 HD21 LEU 62 8.223 -4.450 2.769 489 HD22 LEU 62 HD22 LEU 62 9.802 -4.047 3.475 490 HD23 LEU 62 HD23 LEU 62 9.686 -4.506 1.770 491 H LEU 63 HN LEU 63 11.154 -0.616 -0.614 492 HA LEU 63 HA LEU 63 9.511 -2.064 -2.364 493 HB2 LEU 63 HB2 LEU 63 9.975 0.430 -2.438 494 HB3 LEU 63 HB3 LEU 63 11.582 0.073 -3.054 495 HG LEU 63 HG LEU 63 10.175 -1.300 -4.916 496 HD11 LEU 63 HD11 LEU 63 8.250 0.900 -4.052 497 HD12 LEU 63 HD12 LEU 63 7.972 -0.846 -3.883 498 HD13 LEU 63 HD13 LEU 63 8.081 -0.108 -5.494 499 HD21 LEU 63 HD21 LEU 63 11.750 0.464 -5.427 500 HD22 LEU 63 HD22 LEU 63 10.588 1.702 -4.909 501 HD23 LEU 63 HD23 LEU 63 10.266 0.706 -6.352 502 H GLN 64 HN GLN 64 13.089 -1.607 -2.451 503 HA GLN 64 HA GLN 64 13.485 -3.176 -4.818 504 HB2 GLN 64 HB2 GLN 64 15.388 -2.289 -2.623 505 HB3 GLN 64 HB3 GLN 64 15.908 -3.115 -4.084 506 HG2 GLN 64 HG2 GLN 64 15.205 -1.332 -5.356 507 HG3 GLN 64 HG3 GLN 64 14.301 -0.533 -4.094 508 HE21 GLN 64 HE21 GLN 64 15.318 0.878 -2.852 509 HE22 GLN 64 HE22 GLN 64 17.021 1.378 -2.994 510 H ILE 65 HN ILE 65 13.478 -4.017 -1.369 511 HA ILE 65 HA ILE 65 14.238 -6.762 -1.700 512 HB ILE 65 HB ILE 65 12.544 -5.493 0.449 513 HG12 ILE 65 HG12 ILE 65 15.445 -6.302 0.749 514 HG13 ILE 65 HG13 ILE 65 15.040 -4.719 0.143 515 HG21 ILE 65 HG21 ILE 65 13.230 -7.505 1.837 516 HG22 ILE 65 HG22 ILE 65 12.097 -7.820 0.542 517 HG23 ILE 65 HG23 ILE 65 13.822 -8.249 0.339 518 HD11 ILE 65 HD11 ILE 65 15.379 -4.542 2.527 519 HD12 ILE 65 HD12 ILE 65 13.660 -4.306 2.215 520 HD13 ILE 65 HD13 ILE 65 14.249 -5.848 2.862 521 H LEU 66 HN LEU 66 10.858 -5.411 -1.381 522 HA LEU 66 HA LEU 66 9.560 -7.830 -1.939 523 HB2 LEU 66 HB2 LEU 66 8.673 -5.016 -2.699 524 HB3 LEU 66 HB3 LEU 66 7.656 -6.450 -2.765 525 HG LEU 66 HG LEU 66 8.775 -5.127 -0.280 526 HD11 LEU 66 HD11 LEU 66 5.949 -5.631 -1.296 527 HD12 LEU 66 HD12 LEU 66 6.817 -4.080 -1.324 528 HD13 LEU 66 HD13 LEU 66 6.385 -4.821 0.226 529 HD21 LEU 66 HD21 LEU 66 7.432 -6.834 0.986 530 HD22 LEU 66 HD22 LEU 66 8.926 -7.434 0.241 531 HD23 LEU 66 HD23 LEU 66 7.369 -7.794 -0.529 532 H GLN 67 HN GLN 67 10.886 -5.502 -4.222 533 HA GLN 67 HA GLN 67 9.651 -6.793 -6.537 534 HB2 GLN 67 HB2 GLN 67 11.670 -4.528 -6.355 535 HB3 GLN 67 HB3 GLN 67 11.012 -5.178 -7.856 536 HG2 GLN 67 HG2 GLN 67 8.658 -4.736 -6.627 537 HG3 GLN 67 HG3 GLN 67 9.608 -3.573 -5.734 538 HE21 GLN 67 HE21 GLN 67 8.824 -1.606 -6.628 539 HE22 GLN 67 HE22 GLN 67 8.555 -1.482 -8.359 540 H ALA 68 HN ALA 68 11.876 -8.104 -4.673 541 HA ALA 68 HA ALA 68 13.302 -9.361 -6.979 542 HB1 ALA 68 HB1 ALA 68 14.126 -9.320 -4.053 543 HB2 ALA 68 HB2 ALA 68 15.071 -9.893 -5.445 544 HB3 ALA 68 HB3 ALA 68 14.697 -8.166 -5.272 545 H LEU 69 HN LEU 69 10.852 -9.968 -4.617 546 HA LEU 69 HA LEU 69 11.540 -12.861 -4.457 547 HB2 LEU 69 HB2 LEU 69 11.056 -12.752 -2.060 548 HB3 LEU 69 HB3 LEU 69 12.324 -11.645 -2.529 549 HG LEU 69 HG LEU 69 10.277 -9.902 -2.639 550 HD11 LEU 69 HD11 LEU 69 9.371 -11.801 -0.439 551 HD12 LEU 69 HD12 LEU 69 8.562 -11.620 -1.987 552 HD13 LEU 69 HD13 LEU 69 8.644 -10.232 -0.912 553 HD21 LEU 69 HD21 LEU 69 10.775 -9.229 -0.378 554 HD22 LEU 69 HD22 LEU 69 12.264 -9.701 -1.203 555 HD23 LEU 69 HD23 LEU 69 11.529 -10.800 -0.015 556 H HIS 70 HN HIS 70 9.604 -14.025 -3.242 557 HA HIS 70 HA HIS 70 7.625 -14.448 -5.016 558 HB2 HIS 70 HB2 HIS 70 7.818 -14.881 -2.058 559 HB3 HIS 70 HB3 HIS 70 6.208 -14.997 -2.741 560 HD1 HIS 70 HD1 HIS 70 5.825 -16.930 -4.730 561 HD2 HIS 70 HD2 HIS 70 9.370 -17.026 -2.419 562 HE1 HIS 70 HE1 HIS 70 6.900 -19.145 -5.179 563 HA PRO 71 HA PRO 71 5.047 -11.013 -5.251 564 HB2 PRO 71 HB2 PRO 71 2.618 -12.048 -6.084 565 HB3 PRO 71 HB3 PRO 71 4.073 -11.915 -7.109 566 HG2 PRO 71 HG2 PRO 71 3.149 -14.298 -5.485 567 HG3 PRO 71 HG3 PRO 71 3.626 -14.278 -7.218 568 HD2 PRO 71 HD2 PRO 71 5.352 -15.043 -5.289 569 HD3 PRO 71 HD3 PRO 71 5.926 -13.990 -6.621 570 HA PRO 72 HA PRO 72 2.969 -10.105 -1.615 571 HB2 PRO 72 HB2 PRO 72 0.751 -8.543 -2.469 572 HB3 PRO 72 HB3 PRO 72 2.425 -7.982 -2.137 573 HG2 PRO 72 HG2 PRO 72 1.109 -8.782 -4.723 574 HG3 PRO 72 HG3 PRO 72 2.250 -7.427 -4.431 575 HD2 PRO 72 HD2 PRO 72 3.036 -9.719 -5.597 576 HD3 PRO 72 HD3 PRO 72 4.097 -8.908 -4.414 577 H LEU 73 HN LEU 73 1.545 -10.856 -0.149 578 HA LEU 73 HA LEU 73 -0.094 -13.102 -0.777 579 HB2 LEU 73 HB2 LEU 73 1.483 -12.659 1.189 580 HB3 LEU 73 HB3 LEU 73 0.289 -11.538 1.834 581 HG LEU 73 HG LEU 73 0.377 -13.829 2.827 582 HD11 LEU 73 HD11 LEU 73 -1.645 -12.413 3.032 583 HD12 LEU 73 HD12 LEU 73 -2.005 -14.147 3.074 584 HD13 LEU 73 HD13 LEU 73 -2.315 -13.222 1.603 585 HD21 LEU 73 HD21 LEU 73 -0.997 -14.855 0.324 586 HD22 LEU 73 HD22 LEU 73 -0.448 -15.756 1.754 587 HD23 LEU 73 HD23 LEU 73 0.745 -15.049 0.651 588 H THR 74 HN THR 74 -2.197 -13.098 -1.123 589 HA THR 74 HA THR 74 -3.717 -10.559 -1.186 590 HB THR 74 HB THR 74 -4.219 -11.513 -3.126 591 HG1 THR 74 HG1 THR 74 -6.105 -12.915 -1.580 592 HG21 THR 74 HG21 THR 74 -3.022 -13.598 -3.024 593 HG22 THR 74 HG22 THR 74 -4.652 -13.821 -3.630 594 HG23 THR 74 HG23 THR 74 -4.280 -14.304 -1.953 595 H ILE 75 HN ILE 75 -5.457 -10.075 0.146 596 HA ILE 75 HA ILE 75 -6.456 -12.145 2.018 597 HB ILE 75 HB ILE 75 -6.182 -9.340 3.081 598 HG12 ILE 75 HG12 ILE 75 -4.025 -10.033 4.168 599 HG13 ILE 75 HG13 ILE 75 -3.790 -11.176 2.832 600 HG21 ILE 75 HG21 ILE 75 -5.916 -12.077 4.349 601 HG22 ILE 75 HG22 ILE 75 -6.096 -10.527 5.174 602 HG23 ILE 75 HG23 ILE 75 -7.430 -11.162 4.212 603 HD11 ILE 75 HD11 ILE 75 -4.365 -8.188 2.499 604 HD12 ILE 75 HD12 ILE 75 -2.707 -8.827 2.678 605 HD13 ILE 75 HD13 ILE 75 -3.685 -9.261 1.266 606 H ASP 76 HN ASP 76 -7.790 -11.840 -0.102 607 HA ASP 76 HA ASP 76 -10.284 -11.774 0.525 608 HB2 ASP 76 HB2 ASP 76 -10.110 -9.126 0.837 609 HB3 ASP 76 HB3 ASP 76 -10.296 -9.095 -0.879 610 H GLY 77 HN GLY 77 -8.185 -12.720 -1.493 611 HA2 GLY 77 HA1 GLY 77 -8.128 -13.432 -3.649 612 HA3 GLY 77 HA2 GLY 77 -9.842 -13.044 -3.809 613 H LYS 78 HN LYS 78 -7.410 -10.549 -2.798 614 HA LYS 78 HA LYS 78 -7.329 -9.553 -5.581 615 HB2 LYS 78 HB2 LYS 78 -7.556 -7.347 -4.788 616 HB3 LYS 78 HB3 LYS 78 -8.860 -8.331 -4.258 617 HG2 LYS 78 HG2 LYS 78 -6.927 -6.765 -2.689 618 HG3 LYS 78 HG3 LYS 78 -8.627 -7.094 -2.474 619 HD2 LYS 78 HD2 LYS 78 -8.203 -9.172 -1.394 620 HD3 LYS 78 HD3 LYS 78 -6.499 -9.037 -1.763 621 HE2 LYS 78 HE2 LYS 78 -6.694 -8.452 0.538 622 HE3 LYS 78 HE3 LYS 78 -6.340 -6.967 -0.356 623 HZ1 LYS 78 HZ1 LYS 78 -9.069 -7.754 0.473 624 HZ2 LYS 78 HZ2 LYS 78 -8.544 -6.243 -0.049 625 HZ3 LYS 78 HZ3 LYS 78 -8.130 -6.854 1.396 626 H THR 79 HN THR 79 -5.231 -10.450 -6.162 627 HA THR 79 HA THR 79 -3.023 -10.191 -4.399 628 HB THR 79 HB THR 79 -2.701 -9.889 -7.395 629 HG1 THR 79 HG1 THR 79 -3.192 -11.786 -7.852 630 HG21 THR 79 HG21 THR 79 -1.143 -11.442 -5.276 631 HG22 THR 79 HG22 THR 79 -0.730 -9.803 -5.840 632 HG23 THR 79 HG23 THR 79 -0.651 -11.155 -6.975 633 H ILE 80 HN ILE 80 -2.278 -8.276 -3.560 634 HA ILE 80 HA ILE 80 -3.121 -5.728 -4.546 635 HB ILE 80 HB ILE 80 -0.894 -6.441 -2.594 636 HG12 ILE 80 HG12 ILE 80 -2.935 -7.412 -1.700 637 HG13 ILE 80 HG13 ILE 80 -2.505 -5.984 -0.776 638 HG21 ILE 80 HG21 ILE 80 -2.363 -3.849 -3.142 639 HG22 ILE 80 HG22 ILE 80 -1.403 -4.151 -1.673 640 HG23 ILE 80 HG23 ILE 80 -0.635 -4.184 -3.247 641 HD11 ILE 80 HD11 ILE 80 -4.871 -5.936 -1.108 642 HD12 ILE 80 HD12 ILE 80 -4.216 -4.681 -2.167 643 HD13 ILE 80 HD13 ILE 80 -4.707 -6.244 -2.853 644 H ASN 81 HN ASN 81 -1.942 -4.150 -5.640 645 HA ASN 81 HA ASN 81 0.398 -5.135 -7.222 646 HB2 ASN 81 HB2 ASN 81 -1.876 -3.611 -7.987 647 HB3 ASN 81 HB3 ASN 81 -0.543 -2.469 -7.943 648 HD21 ASN 81 HD21 ASN 81 -1.667 -5.568 -9.351 649 HD22 ASN 81 HD22 ASN 81 -0.397 -5.649 -10.546 650 H VAL 82 HN VAL 82 2.205 -3.567 -7.541 651 HA VAL 82 HA VAL 82 2.611 -1.748 -5.232 652 HB VAL 82 HB VAL 82 4.677 -3.590 -6.524 653 HG11 VAL 82 HG11 VAL 82 5.719 -1.541 -5.656 654 HG12 VAL 82 HG12 VAL 82 4.875 -1.733 -4.095 655 HG13 VAL 82 HG13 VAL 82 6.123 -2.903 -4.614 656 HG21 VAL 82 HG21 VAL 82 4.696 -4.760 -4.308 657 HG22 VAL 82 HG22 VAL 82 3.279 -3.810 -3.815 658 HG23 VAL 82 HG23 VAL 82 3.182 -4.961 -5.163 659 H GLU 83 HN GLU 83 3.655 0.217 -5.779 660 HA GLU 83 HA GLU 83 4.894 0.658 -8.334 661 HB2 GLU 83 HB2 GLU 83 2.257 1.769 -7.493 662 HB3 GLU 83 HB3 GLU 83 3.407 3.019 -7.872 663 HG2 GLU 83 HG2 GLU 83 2.910 0.740 -9.791 664 HG3 GLU 83 HG3 GLU 83 1.887 2.157 -9.677 665 H PHE 84 HN PHE 84 5.862 2.844 -8.165 666 HA PHE 84 HA PHE 84 6.672 3.665 -5.420 667 HB2 PHE 84 HB2 PHE 84 8.341 2.176 -6.587 668 HB3 PHE 84 HB3 PHE 84 8.406 3.330 -7.894 669 HD1 PHE 84 HD1 PHE 84 8.513 4.058 -4.181 670 HD2 PHE 84 HD2 PHE 84 10.704 3.827 -7.897 671 HE1 PHE 84 HE1 PHE 84 10.525 4.894 -3.047 672 HE2 PHE 84 HE2 PHE 84 12.731 4.666 -6.732 673 HZ PHE 84 HZ PHE 84 12.640 5.195 -4.299 674 H ALA 85 HN ALA 85 6.718 5.925 -5.225 675 HA ALA 85 HA ALA 85 6.751 7.587 -7.663 676 HB1 ALA 85 HB1 ALA 85 4.565 7.883 -5.567 677 HB2 ALA 85 HB2 ALA 85 4.931 9.031 -6.869 678 HB3 ALA 85 HB3 ALA 85 4.376 7.381 -7.263 679 H LYS 86 HN LYS 86 8.820 7.962 -7.115 680 HA LYS 86 HA LYS 86 9.491 8.970 -4.431 681 HB2 LYS 86 HB2 LYS 86 10.731 7.166 -5.834 682 HB3 LYS 86 HB3 LYS 86 11.403 8.493 -6.763 683 HG2 LYS 86 HG2 LYS 86 11.658 7.930 -3.782 684 HG3 LYS 86 HG3 LYS 86 12.924 7.771 -4.984 685 HD2 LYS 86 HD2 LYS 86 11.624 10.366 -4.065 686 HD3 LYS 86 HD3 LYS 86 13.165 9.747 -3.514 687 HE2 LYS 86 HE2 LYS 86 12.469 11.023 -6.161 688 HE3 LYS 86 HE3 LYS 86 13.744 11.421 -5.011 689 HZ1 LYS 86 HZ1 LYS 86 14.775 10.410 -6.858 690 HZ2 LYS 86 HZ2 LYS 86 13.695 9.200 -6.961 691 HZ3 LYS 86 HZ3 LYS 86 14.765 9.233 -5.719 692 H GLY 87 HN GLY 87 8.381 11.040 -4.534 693 HA2 GLY 87 HA1 GLY 87 8.949 12.981 -6.596 694 HA3 GLY 87 HA2 GLY 87 8.261 13.292 -5.004 695 H SER 88 HN SER 88 11.113 13.352 -6.901 696 HA SER 88 HA SER 88 12.600 14.669 -4.700 697 HB2 SER 88 HB2 SER 88 13.997 13.154 -6.171 698 HB3 SER 88 HB3 SER 88 13.474 14.085 -7.575 699 HG SER 88 HG SER 88 14.815 15.591 -7.100 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 10.725 16.548 -7.303 2 HA2 GLY 1 HA1 GLY 1 12.427 16.088 -5.577 3 HA3 GLY 1 HA2 GLY 1 11.884 17.567 -4.780 4 H HIS 2 HN HIS 2 9.726 14.986 -6.224 5 HA HIS 2 HA HIS 2 8.128 14.973 -3.884 6 HB2 HIS 2 HB2 HIS 2 7.444 14.258 -6.211 7 HB3 HIS 2 HB3 HIS 2 8.325 12.757 -5.958 8 HD1 HIS 2 HD1 HIS 2 5.297 14.659 -4.556 9 HD2 HIS 2 HD2 HIS 2 7.084 10.843 -4.656 10 HE1 HIS 2 HE1 HIS 2 3.645 13.043 -3.421 11 H MET 3 HN MET 3 8.085 13.603 -2.149 12 HA MET 3 HA MET 3 10.499 12.178 -1.334 13 HB2 MET 3 HB2 MET 3 7.637 12.566 -0.275 14 HB3 MET 3 HB3 MET 3 8.784 11.563 0.610 15 HG2 MET 3 HG2 MET 3 10.174 13.303 1.161 16 HG3 MET 3 HG3 MET 3 9.610 14.344 -0.125 17 HE1 MET 3 HE1 MET 3 6.723 13.532 3.406 18 HE2 MET 3 HE2 MET 3 6.777 12.544 1.943 19 HE3 MET 3 HE3 MET 3 8.126 12.483 3.105 20 H ASP 4 HN ASP 4 9.621 9.990 -0.055 21 HA ASP 4 HA ASP 4 9.466 8.054 -2.253 22 HB2 ASP 4 HB2 ASP 4 10.300 7.722 0.673 23 HB3 ASP 4 HB3 ASP 4 10.301 6.485 -0.598 24 H THR 5 HN THR 5 7.377 7.901 -2.611 25 HA THR 5 HA THR 5 5.551 7.115 -0.374 26 HB THR 5 HB THR 5 4.678 8.226 -3.059 27 HG1 THR 5 HG1 THR 5 5.420 10.016 -2.234 28 HG21 THR 5 HG21 THR 5 2.536 8.499 -1.952 29 HG22 THR 5 HG22 THR 5 3.219 7.956 -0.407 30 HG23 THR 5 HG23 THR 5 3.055 6.819 -1.766 31 H ILE 6 HN ILE 6 5.612 4.914 -0.370 32 HA ILE 6 HA ILE 6 5.786 3.396 -2.910 33 HB ILE 6 HB ILE 6 5.245 2.350 -0.112 34 HG12 ILE 6 HG12 ILE 6 7.892 2.496 -1.601 35 HG13 ILE 6 HG13 ILE 6 7.435 3.427 -0.161 36 HG21 ILE 6 HG21 ILE 6 4.413 0.895 -1.913 37 HG22 ILE 6 HG22 ILE 6 5.988 0.950 -2.700 38 HG23 ILE 6 HG23 ILE 6 5.791 0.152 -1.122 39 HD11 ILE 6 HD11 ILE 6 7.162 1.322 1.112 40 HD12 ILE 6 HD12 ILE 6 7.860 0.437 -0.270 41 HD13 ILE 6 HD13 ILE 6 8.821 1.655 0.576 42 H ILE 7 HN ILE 7 3.940 2.783 -3.978 43 HA ILE 7 HA ILE 7 1.315 3.544 -2.798 44 HB ILE 7 HB ILE 7 2.096 3.505 -5.732 45 HG12 ILE 7 HG12 ILE 7 1.960 5.794 -3.769 46 HG13 ILE 7 HG13 ILE 7 3.320 5.289 -4.756 47 HG21 ILE 7 HG21 ILE 7 -0.424 4.634 -4.463 48 HG22 ILE 7 HG22 ILE 7 -0.039 4.530 -6.199 49 HG23 ILE 7 HG23 ILE 7 -0.326 3.067 -5.298 50 HD11 ILE 7 HD11 ILE 7 2.160 6.012 -6.805 51 HD12 ILE 7 HD12 ILE 7 0.796 6.597 -5.831 52 HD13 ILE 7 HD13 ILE 7 2.377 7.339 -5.638 53 H LEU 8 HN LEU 8 -0.371 2.027 -3.131 54 HA LEU 8 HA LEU 8 0.432 -0.722 -4.012 55 HB2 LEU 8 HB2 LEU 8 -1.693 0.124 -1.998 56 HB3 LEU 8 HB3 LEU 8 -1.634 -1.448 -2.774 57 HG LEU 8 HG LEU 8 0.502 -1.988 -1.750 58 HD11 LEU 8 HD11 LEU 8 0.167 0.691 -0.302 59 HD12 LEU 8 HD12 LEU 8 1.538 0.164 -1.307 60 HD13 LEU 8 HD13 LEU 8 1.246 -0.628 0.234 61 HD21 LEU 8 HD21 LEU 8 -0.460 -2.419 0.421 62 HD22 LEU 8 HD22 LEU 8 -1.768 -2.502 -0.762 63 HD23 LEU 8 HD23 LEU 8 -1.620 -1.066 0.250 64 H ARG 9 HN ARG 9 -1.273 -1.796 -5.316 65 HA ARG 9 HA ARG 9 -3.589 -0.131 -6.184 66 HB2 ARG 9 HB2 ARG 9 -1.767 -1.525 -8.159 67 HB3 ARG 9 HB3 ARG 9 -3.254 -0.699 -8.559 68 HG2 ARG 9 HG2 ARG 9 -2.240 1.457 -7.913 69 HG3 ARG 9 HG3 ARG 9 -0.780 0.623 -7.416 70 HD2 ARG 9 HD2 ARG 9 -0.156 1.181 -9.602 71 HD3 ARG 9 HD3 ARG 9 -0.835 -0.405 -9.890 72 HE ARG 9 HE ARG 9 -2.589 0.540 -11.043 73 HH11 ARG 9 HH11 ARG 9 -0.649 3.126 -9.614 74 HH12 ARG 9 HH12 ARG 9 -1.827 4.377 -9.849 75 HH21 ARG 9 HH21 ARG 9 -4.212 2.222 -11.430 76 HH22 ARG 9 HH22 ARG 9 -3.954 3.797 -10.793 77 H ASN 10 HN ASN 10 -5.044 -1.519 -7.613 78 HA ASN 10 HA ASN 10 -6.464 -3.192 -7.826 79 HB2 ASN 10 HB2 ASN 10 -4.526 -4.338 -8.850 80 HB3 ASN 10 HB3 ASN 10 -4.148 -5.101 -7.304 81 HD21 ASN 10 HD21 ASN 10 -4.873 -7.225 -7.407 82 HD22 ASN 10 HD22 ASN 10 -6.374 -7.772 -8.107 83 H LEU 11 HN LEU 11 -6.324 -1.890 -5.250 84 HA LEU 11 HA LEU 11 -6.944 -3.896 -3.238 85 HB2 LEU 11 HB2 LEU 11 -7.541 -0.922 -3.542 86 HB3 LEU 11 HB3 LEU 11 -7.917 -1.844 -2.114 87 HG LEU 11 HG LEU 11 -5.918 -0.362 -2.053 88 HD11 LEU 11 HD11 LEU 11 -6.225 -2.097 -0.370 89 HD12 LEU 11 HD12 LEU 11 -4.493 -1.922 -0.737 90 HD13 LEU 11 HD13 LEU 11 -5.411 -3.294 -1.394 91 HD21 LEU 11 HD21 LEU 11 -4.307 -2.432 -3.499 92 HD22 LEU 11 HD22 LEU 11 -3.814 -0.852 -2.850 93 HD23 LEU 11 HD23 LEU 11 -4.895 -0.929 -4.233 94 H ASN 12 HN ASN 12 -8.939 -4.875 -3.052 95 HA ASN 12 HA ASN 12 -11.180 -4.315 -4.901 96 HB2 ASN 12 HB2 ASN 12 -10.696 -6.216 -2.593 97 HB3 ASN 12 HB3 ASN 12 -12.314 -5.575 -2.695 98 HD21 ASN 12 HD21 ASN 12 -12.370 -8.252 -2.941 99 HD22 ASN 12 HD22 ASN 12 -12.826 -8.523 -4.578 100 HA PRO 13 HA PRO 13 -12.797 -0.967 -2.358 101 HB2 PRO 13 HB2 PRO 13 -15.522 -1.483 -2.588 102 HB3 PRO 13 HB3 PRO 13 -14.533 -0.686 -3.841 103 HG2 PRO 13 HG2 PRO 13 -15.437 -3.564 -3.656 104 HG3 PRO 13 HG3 PRO 13 -15.384 -2.500 -5.102 105 HD2 PRO 13 HD2 PRO 13 -13.465 -4.328 -4.590 106 HD3 PRO 13 HD3 PRO 13 -13.088 -2.753 -5.362 107 H HIS 14 HN HIS 14 -13.741 -4.363 -1.643 108 HA HIS 14 HA HIS 14 -14.642 -3.985 1.005 109 HB2 HIS 14 HB2 HIS 14 -12.874 -6.198 -0.172 110 HB3 HIS 14 HB3 HIS 14 -13.659 -6.265 1.400 111 HD1 HIS 14 HD1 HIS 14 -14.296 -8.577 -0.379 112 HD2 HIS 14 HD2 HIS 14 -16.425 -4.932 -0.480 113 HE1 HIS 14 HE1 HIS 14 -16.676 -9.141 -1.128 114 H SER 15 HN SER 15 -11.365 -3.673 -0.297 115 HA SER 15 HA SER 15 -9.965 -4.265 2.122 116 HB2 SER 15 HB2 SER 15 -8.892 -2.300 0.098 117 HB3 SER 15 HB3 SER 15 -8.035 -3.517 1.054 118 HG SER 15 HG SER 15 -9.699 -3.825 -1.191 119 H THR 16 HN THR 16 -9.141 -2.834 3.699 120 HA THR 16 HA THR 16 -10.282 -0.088 3.740 121 HB THR 16 HB THR 16 -11.812 -1.285 4.958 122 HG1 THR 16 HG1 THR 16 -11.776 0.047 6.403 123 HG21 THR 16 HG21 THR 16 -10.842 -3.448 5.336 124 HG22 THR 16 HG22 THR 16 -11.324 -2.775 6.890 125 HG23 THR 16 HG23 THR 16 -9.617 -2.792 6.446 126 H MET 17 HN MET 17 -8.313 -1.574 6.308 127 HA MET 17 HA MET 17 -5.758 -0.665 5.142 128 HB2 MET 17 HB2 MET 17 -6.659 1.348 6.218 129 HB3 MET 17 HB3 MET 17 -7.077 0.460 7.669 130 HG2 MET 17 HG2 MET 17 -4.609 0.012 8.033 131 HG3 MET 17 HG3 MET 17 -4.291 1.051 6.642 132 HE1 MET 17 HE1 MET 17 -6.054 2.441 10.735 133 HE2 MET 17 HE2 MET 17 -7.118 1.640 9.571 134 HE3 MET 17 HE3 MET 17 -5.750 0.756 10.279 135 H ASP 18 HN ASP 18 -7.232 -1.544 8.287 136 HA ASP 18 HA ASP 18 -5.028 -2.978 9.278 137 HB2 ASP 18 HB2 ASP 18 -6.834 -1.915 10.583 138 HB3 ASP 18 HB3 ASP 18 -7.996 -3.067 9.929 139 H SER 19 HN SER 19 -7.816 -3.964 7.419 140 HA SER 19 HA SER 19 -7.664 -6.782 7.440 141 HB2 SER 19 HB2 SER 19 -9.474 -5.434 6.437 142 HB3 SER 19 HB3 SER 19 -8.356 -4.795 5.226 143 HG SER 19 HG SER 19 -9.580 -7.288 5.428 144 H ILE 20 HN ILE 20 -5.810 -4.382 5.576 145 HA ILE 20 HA ILE 20 -4.527 -6.330 3.849 146 HB ILE 20 HB ILE 20 -4.008 -3.353 4.233 147 HG12 ILE 20 HG12 ILE 20 -5.500 -4.585 1.888 148 HG13 ILE 20 HG13 ILE 20 -6.378 -4.118 3.345 149 HG21 ILE 20 HG21 ILE 20 -2.089 -4.446 3.230 150 HG22 ILE 20 HG22 ILE 20 -3.115 -5.316 2.073 151 HG23 ILE 20 HG23 ILE 20 -2.919 -3.554 1.965 152 HD11 ILE 20 HD11 ILE 20 -5.441 -1.830 3.239 153 HD12 ILE 20 HD12 ILE 20 -4.697 -2.229 1.678 154 HD13 ILE 20 HD13 ILE 20 -6.460 -2.267 1.869 155 H LEU 21 HN LEU 21 -3.641 -4.213 6.648 156 HA LEU 21 HA LEU 21 -0.960 -5.222 6.864 157 HB2 LEU 21 HB2 LEU 21 -2.820 -3.850 8.839 158 HB3 LEU 21 HB3 LEU 21 -1.270 -4.480 9.342 159 HG LEU 21 HG LEU 21 -1.047 -2.157 8.997 160 HD11 LEU 21 HD11 LEU 21 0.375 -3.542 6.680 161 HD12 LEU 21 HD12 LEU 21 0.897 -3.564 8.380 162 HD13 LEU 21 HD13 LEU 21 0.855 -2.041 7.475 163 HD21 LEU 21 HD21 LEU 21 -1.351 -0.989 6.907 164 HD22 LEU 21 HD22 LEU 21 -2.862 -1.747 7.413 165 HD23 LEU 21 HD23 LEU 21 -1.901 -2.472 6.101 166 H GLY 22 HN GLY 22 -3.977 -6.809 7.629 167 HA2 GLY 22 HA1 GLY 22 -2.801 -8.543 9.607 168 HA3 GLY 22 HA2 GLY 22 -4.365 -8.759 8.805 169 H ALA 23 HN ALA 23 -2.780 -8.562 6.129 170 HA ALA 23 HA ALA 23 -1.792 -11.410 6.097 171 HB1 ALA 23 HB1 ALA 23 -3.543 -10.017 4.056 172 HB2 ALA 23 HB2 ALA 23 -2.946 -11.685 3.952 173 HB3 ALA 23 HB3 ALA 23 -4.098 -11.241 5.232 174 H LEU 24 HN LEU 24 -1.659 -8.225 4.571 175 HA LEU 24 HA LEU 24 0.643 -8.910 2.886 176 HB2 LEU 24 HB2 LEU 24 -1.432 -7.476 2.206 177 HB3 LEU 24 HB3 LEU 24 -0.707 -6.224 3.209 178 HG LEU 24 HG LEU 24 1.364 -6.338 1.722 179 HD11 LEU 24 HD11 LEU 24 1.094 -7.356 -0.493 180 HD12 LEU 24 HD12 LEU 24 -0.452 -8.079 -0.001 181 HD13 LEU 24 HD13 LEU 24 1.074 -8.593 0.763 182 HD21 LEU 24 HD21 LEU 24 0.273 -5.127 -0.145 183 HD22 LEU 24 HD22 LEU 24 -0.314 -4.600 1.434 184 HD23 LEU 24 HD23 LEU 24 -1.313 -5.680 0.427 185 H ALA 25 HN ALA 25 0.850 -8.991 5.902 186 HA ALA 25 HA ALA 25 3.108 -7.035 6.150 187 HB1 ALA 25 HB1 ALA 25 2.689 -7.442 8.606 188 HB2 ALA 25 HB2 ALA 25 1.443 -6.526 7.729 189 HB3 ALA 25 HB3 ALA 25 1.196 -8.239 8.137 190 HA PRO 26 HA PRO 26 4.799 -11.442 6.368 191 HB2 PRO 26 HB2 PRO 26 6.012 -11.736 3.910 192 HB3 PRO 26 HB3 PRO 26 4.346 -12.268 4.260 193 HG2 PRO 26 HG2 PRO 26 5.169 -9.682 2.935 194 HG3 PRO 26 HG3 PRO 26 3.907 -10.855 2.440 195 HD2 PRO 26 HD2 PRO 26 3.353 -8.627 3.855 196 HD3 PRO 26 HD3 PRO 26 2.494 -10.162 4.165 197 H TYR 27 HN TYR 27 6.092 -8.368 4.949 198 HA TYR 27 HA TYR 27 8.701 -8.958 6.279 199 HB2 TYR 27 HB2 TYR 27 8.510 -7.652 3.567 200 HB3 TYR 27 HB3 TYR 27 9.898 -8.394 4.373 201 HD1 TYR 27 HD1 TYR 27 10.141 -10.866 4.438 202 HD2 TYR 27 HD2 TYR 27 7.089 -8.911 2.128 203 HE1 TYR 27 HE1 TYR 27 9.764 -12.942 3.150 204 HE2 TYR 27 HE2 TYR 27 6.648 -10.969 0.894 205 HH TYR 27 HH TYR 27 7.071 -13.285 0.817 206 H ALA 28 HN ALA 28 6.299 -6.583 5.288 207 HA ALA 28 HA ALA 28 7.863 -4.416 6.579 208 HB1 ALA 28 HB1 ALA 28 7.825 -4.645 3.925 209 HB2 ALA 28 HB2 ALA 28 6.216 -3.953 4.088 210 HB3 ALA 28 HB3 ALA 28 7.620 -3.064 4.692 211 H VAL 29 HN VAL 29 6.621 -3.624 8.226 212 HA VAL 29 HA VAL 29 3.686 -4.092 8.096 213 HB VAL 29 HB VAL 29 5.429 -4.707 10.499 214 HG11 VAL 29 HG11 VAL 29 3.069 -4.279 10.948 215 HG12 VAL 29 HG12 VAL 29 2.573 -5.424 9.697 216 HG13 VAL 29 HG13 VAL 29 3.409 -5.998 11.147 217 HG21 VAL 29 HG21 VAL 29 6.243 -6.284 8.912 218 HG22 VAL 29 HG22 VAL 29 5.007 -7.152 9.822 219 HG23 VAL 29 HG23 VAL 29 4.642 -6.535 8.201 220 H LEU 30 HN LEU 30 3.393 -1.967 7.608 221 HA LEU 30 HA LEU 30 4.400 0.245 9.093 222 HB2 LEU 30 HB2 LEU 30 1.690 0.044 7.679 223 HB3 LEU 30 HB3 LEU 30 2.395 1.495 8.299 224 HG LEU 30 HG LEU 30 2.751 1.672 6.061 225 HD11 LEU 30 HD11 LEU 30 5.375 0.554 7.126 226 HD12 LEU 30 HD12 LEU 30 4.797 2.221 7.313 227 HD13 LEU 30 HD13 LEU 30 5.194 1.572 5.709 228 HD21 LEU 30 HD21 LEU 30 2.206 -0.712 5.510 229 HD22 LEU 30 HD22 LEU 30 3.898 -1.123 5.871 230 HD23 LEU 30 HD23 LEU 30 3.525 0.014 4.564 231 H SER 31 HN SER 31 3.184 1.768 10.418 232 HA SER 31 HA SER 31 1.679 0.533 12.617 233 HB2 SER 31 HB2 SER 31 2.563 3.370 11.986 234 HB3 SER 31 HB3 SER 31 1.630 2.937 13.425 235 HG SER 31 HG SER 31 3.206 1.797 14.204 236 H SER 32 HN SER 32 0.405 0.199 10.079 237 HA SER 32 HA SER 32 -1.510 0.367 8.989 238 HB2 SER 32 HB2 SER 32 -2.846 1.569 11.417 239 HB3 SER 32 HB3 SER 32 -3.510 0.512 10.173 240 HG SER 32 HG SER 32 -1.976 -0.076 12.407 241 H SER 33 HN SER 33 -1.606 3.500 10.864 242 HA SER 33 HA SER 33 -3.119 4.720 8.796 243 HB2 SER 33 HB2 SER 33 -2.667 5.274 11.403 244 HB3 SER 33 HB3 SER 33 -1.601 6.483 10.666 245 HG SER 33 HG SER 33 -3.559 7.385 10.931 246 H ASN 34 HN ASN 34 0.451 4.568 9.224 247 HA ASN 34 HA ASN 34 1.375 6.430 7.422 248 HB2 ASN 34 HB2 ASN 34 2.100 3.519 7.880 249 HB3 ASN 34 HB3 ASN 34 3.064 4.502 6.829 250 HD21 ASN 34 HD21 ASN 34 4.584 6.083 7.766 251 HD22 ASN 34 HD22 ASN 34 4.777 6.046 9.523 252 H VAL 35 HN VAL 35 -0.551 3.536 6.732 253 HA VAL 35 HA VAL 35 -0.234 3.782 3.830 254 HB VAL 35 HB VAL 35 -2.103 1.983 5.442 255 HG11 VAL 35 HG11 VAL 35 -2.201 0.702 3.344 256 HG12 VAL 35 HG12 VAL 35 -2.700 2.376 3.080 257 HG13 VAL 35 HG13 VAL 35 -1.083 1.861 2.568 258 HG21 VAL 35 HG21 VAL 35 0.697 1.385 4.425 259 HG22 VAL 35 HG22 VAL 35 0.148 1.387 6.110 260 HG23 VAL 35 HG23 VAL 35 -0.460 0.167 5.004 261 H ARG 36 HN ARG 36 -1.031 5.846 3.427 262 HA ARG 36 HA ARG 36 -3.596 6.817 4.352 263 HB2 ARG 36 HB2 ARG 36 -1.569 8.135 3.302 264 HB3 ARG 36 HB3 ARG 36 -2.320 7.772 1.770 265 HG2 ARG 36 HG2 ARG 36 -3.539 9.328 4.088 266 HG3 ARG 36 HG3 ARG 36 -2.925 9.989 2.581 267 HD2 ARG 36 HD2 ARG 36 -4.709 8.775 1.331 268 HD3 ARG 36 HD3 ARG 36 -5.388 8.219 2.859 269 HE ARG 36 HE ARG 36 -5.540 10.867 1.664 270 HH11 ARG 36 HH11 ARG 36 -5.831 9.146 4.804 271 HH12 ARG 36 HH12 ARG 36 -6.441 10.548 5.615 272 HH21 ARG 36 HH21 ARG 36 -6.860 12.514 2.699 273 HH22 ARG 36 HH22 ARG 36 -7.245 12.364 4.371 274 H VAL 37 HN VAL 37 -5.368 5.733 3.915 275 HA VAL 37 HA VAL 37 -5.940 4.906 1.125 276 HB VAL 37 HB VAL 37 -7.233 3.844 3.679 277 HG11 VAL 37 HG11 VAL 37 -8.330 2.266 2.045 278 HG12 VAL 37 HG12 VAL 37 -8.853 3.933 1.839 279 HG13 VAL 37 HG13 VAL 37 -7.668 3.250 0.712 280 HG21 VAL 37 HG21 VAL 37 -5.307 2.647 1.638 281 HG22 VAL 37 HG22 VAL 37 -4.998 2.892 3.374 282 HG23 VAL 37 HG23 VAL 37 -6.165 1.690 2.841 283 H ILE 38 HN ILE 38 -7.174 6.287 0.105 284 HA ILE 38 HA ILE 38 -8.849 8.294 1.451 285 HB ILE 38 HB ILE 38 -8.491 7.565 -1.485 286 HG12 ILE 38 HG12 ILE 38 -7.261 9.928 -0.009 287 HG13 ILE 38 HG13 ILE 38 -6.386 8.466 -0.478 288 HG21 ILE 38 HG21 ILE 38 -9.849 9.982 -0.194 289 HG22 ILE 38 HG22 ILE 38 -9.653 9.729 -1.945 290 HG23 ILE 38 HG23 ILE 38 -10.674 8.654 -1.020 291 HD11 ILE 38 HD11 ILE 38 -7.614 10.491 -2.371 292 HD12 ILE 38 HD12 ILE 38 -5.906 10.090 -2.136 293 HD13 ILE 38 HD13 ILE 38 -7.000 8.905 -2.879 294 H LYS 39 HN LYS 39 -11.023 7.949 1.731 295 HA LYS 39 HA LYS 39 -12.222 5.414 0.713 296 HB2 LYS 39 HB2 LYS 39 -13.095 7.032 3.135 297 HB3 LYS 39 HB3 LYS 39 -13.691 5.468 2.596 298 HG2 LYS 39 HG2 LYS 39 -12.327 4.705 4.217 299 HG3 LYS 39 HG3 LYS 39 -11.106 4.758 2.946 300 HD2 LYS 39 HD2 LYS 39 -10.364 6.990 3.891 301 HD3 LYS 39 HD3 LYS 39 -11.658 6.844 5.099 302 HE2 LYS 39 HE2 LYS 39 -10.443 4.430 5.422 303 HE3 LYS 39 HE3 LYS 39 -9.051 5.374 4.884 304 HZ1 LYS 39 HZ1 LYS 39 -9.262 5.379 7.261 305 HZ2 LYS 39 HZ2 LYS 39 -10.806 5.946 7.194 306 HZ3 LYS 39 HZ3 LYS 39 -9.569 6.922 6.755 307 H ASP 40 HN ASP 40 -14.186 5.637 -0.436 308 HA ASP 40 HA ASP 40 -15.063 8.044 -1.582 309 HB2 ASP 40 HB2 ASP 40 -15.586 5.501 -2.067 310 HB3 ASP 40 HB3 ASP 40 -16.902 5.751 -0.903 311 H LYS 41 HN LYS 41 -17.270 9.019 -1.193 312 HA LYS 41 HA LYS 41 -17.718 9.439 1.728 313 HB2 LYS 41 HB2 LYS 41 -16.817 11.310 0.115 314 HB3 LYS 41 HB3 LYS 41 -18.472 11.453 -0.425 315 HG2 LYS 41 HG2 LYS 41 -17.720 11.562 2.502 316 HG3 LYS 41 HG3 LYS 41 -17.400 12.948 1.483 317 HD2 LYS 41 HD2 LYS 41 -20.173 11.803 1.972 318 HD3 LYS 41 HD3 LYS 41 -19.446 13.160 2.835 319 HE2 LYS 41 HE2 LYS 41 -19.157 14.410 0.745 320 HE3 LYS 41 HE3 LYS 41 -19.855 13.089 -0.179 321 HZ1 LYS 41 HZ1 LYS 41 -21.949 13.452 1.054 322 HZ2 LYS 41 HZ2 LYS 41 -21.441 14.783 0.231 323 HZ3 LYS 41 HZ3 LYS 41 -21.223 14.730 1.845 324 H GLN 42 HN GLN 42 -19.111 8.336 -1.218 325 HA GLN 42 HA GLN 42 -21.842 8.417 -0.084 326 HB2 GLN 42 HB2 GLN 42 -20.804 8.669 -2.781 327 HB3 GLN 42 HB3 GLN 42 -21.695 7.160 -2.696 328 HG2 GLN 42 HG2 GLN 42 -22.775 9.913 -2.002 329 HG3 GLN 42 HG3 GLN 42 -23.174 8.933 -3.405 330 HE21 GLN 42 HE21 GLN 42 -23.913 9.593 -0.066 331 HE22 GLN 42 HE22 GLN 42 -25.082 8.305 0.145 332 H THR 43 HN THR 43 -19.500 6.194 -1.689 333 HA THR 43 HA THR 43 -21.230 3.980 -0.929 334 HB THR 43 HB THR 43 -19.642 2.648 -2.314 335 HG1 THR 43 HG1 THR 43 -18.107 3.878 -3.498 336 HG21 THR 43 HG21 THR 43 -20.235 3.633 -4.424 337 HG22 THR 43 HG22 THR 43 -20.581 5.204 -3.667 338 HG23 THR 43 HG23 THR 43 -21.603 3.792 -3.317 339 H GLN 44 HN GLN 44 -18.581 5.478 0.515 340 HA GLN 44 HA GLN 44 -17.403 5.144 2.367 341 HB2 GLN 44 HB2 GLN 44 -18.949 2.578 2.916 342 HB3 GLN 44 HB3 GLN 44 -17.996 3.491 4.054 343 HG2 GLN 44 HG2 GLN 44 -20.629 4.304 2.791 344 HG3 GLN 44 HG3 GLN 44 -20.282 4.023 4.490 345 HE21 GLN 44 HE21 GLN 44 -20.967 6.458 2.428 346 HE22 GLN 44 HE22 GLN 44 -20.078 7.776 3.168 347 H LEU 45 HN LEU 45 -17.338 2.976 -0.154 348 HA LEU 45 HA LEU 45 -15.325 1.093 0.470 349 HB2 LEU 45 HB2 LEU 45 -15.865 2.426 -2.206 350 HB3 LEU 45 HB3 LEU 45 -15.172 0.831 -1.946 351 HG LEU 45 HG LEU 45 -18.023 1.658 -1.333 352 HD11 LEU 45 HD11 LEU 45 -16.954 -0.062 -3.578 353 HD12 LEU 45 HD12 LEU 45 -17.495 1.620 -3.702 354 HD13 LEU 45 HD13 LEU 45 -18.648 0.350 -3.256 355 HD21 LEU 45 HD21 LEU 45 -18.399 -0.818 -1.058 356 HD22 LEU 45 HD22 LEU 45 -17.537 -0.009 0.253 357 HD23 LEU 45 HD23 LEU 45 -16.639 -0.997 -0.889 358 H ASN 46 HN ASN 46 -13.268 1.183 -1.095 359 HA ASN 46 HA ASN 46 -11.784 3.695 -0.482 360 HB2 ASN 46 HB2 ASN 46 -9.805 2.462 -0.394 361 HB3 ASN 46 HB3 ASN 46 -11.032 1.470 0.428 362 HD21 ASN 46 HD21 ASN 46 -10.864 -0.667 0.060 363 HD22 ASN 46 HD22 ASN 46 -10.454 -1.350 -1.481 364 H ARG 47 HN ARG 47 -9.986 4.110 -2.207 365 HA ARG 47 HA ARG 47 -11.380 4.483 -4.767 366 HB2 ARG 47 HB2 ARG 47 -8.760 5.533 -3.652 367 HB3 ARG 47 HB3 ARG 47 -9.319 5.909 -5.278 368 HG2 ARG 47 HG2 ARG 47 -11.202 6.459 -2.971 369 HG3 ARG 47 HG3 ARG 47 -9.818 7.508 -3.247 370 HD2 ARG 47 HD2 ARG 47 -11.754 8.434 -4.307 371 HD3 ARG 47 HD3 ARG 47 -10.495 8.061 -5.476 372 HE ARG 47 HE ARG 47 -11.971 6.745 -6.577 373 HH11 ARG 47 HH11 ARG 47 -13.385 7.464 -3.394 374 HH12 ARG 47 HH12 ARG 47 -14.937 6.822 -3.884 375 HH21 ARG 47 HH21 ARG 47 -14.050 5.818 -7.077 376 HH22 ARG 47 HH22 ARG 47 -15.261 5.817 -5.856 377 H GLY 48 HN GLY 48 -9.244 2.102 -3.733 378 HA2 GLY 48 HA1 GLY 48 -8.857 0.210 -5.005 379 HA3 GLY 48 HA2 GLY 48 -8.830 1.173 -6.472 380 H PHE 49 HN PHE 49 -6.912 2.631 -4.089 381 HA PHE 49 HA PHE 49 -4.451 1.112 -4.434 382 HB2 PHE 49 HB2 PHE 49 -3.262 3.280 -5.118 383 HB3 PHE 49 HB3 PHE 49 -4.204 2.464 -6.349 384 HD1 PHE 49 HD1 PHE 49 -4.205 5.313 -3.946 385 HD2 PHE 49 HD2 PHE 49 -6.013 3.500 -7.397 386 HE1 PHE 49 HE1 PHE 49 -5.697 7.309 -4.204 387 HE2 PHE 49 HE2 PHE 49 -7.463 5.537 -7.687 388 HZ PHE 49 HZ PHE 49 -7.340 7.387 -6.039 389 H ALA 50 HN ALA 50 -2.720 2.452 -3.074 390 HA ALA 50 HA ALA 50 -3.828 4.032 -0.907 391 HB1 ALA 50 HB1 ALA 50 -3.083 2.597 0.891 392 HB2 ALA 50 HB2 ALA 50 -4.191 1.646 -0.116 393 HB3 ALA 50 HB3 ALA 50 -2.434 1.391 -0.241 394 H PHE 51 HN PHE 51 -1.941 4.764 0.528 395 HA PHE 51 HA PHE 51 0.609 4.955 -1.033 396 HB2 PHE 51 HB2 PHE 51 -0.879 7.141 0.450 397 HB3 PHE 51 HB3 PHE 51 0.565 7.358 -0.447 398 HD1 PHE 51 HD1 PHE 51 0.455 7.079 -3.018 399 HD2 PHE 51 HD2 PHE 51 -3.022 7.379 -0.489 400 HE1 PHE 51 HE1 PHE 51 -0.901 7.778 -4.962 401 HE2 PHE 51 HE2 PHE 51 -4.368 8.124 -2.434 402 HZ PHE 51 HZ PHE 51 -3.319 8.321 -4.668 403 H ILE 52 HN ILE 52 2.173 4.060 0.324 404 HA ILE 52 HA ILE 52 2.001 4.218 3.260 405 HB ILE 52 HB ILE 52 4.131 3.242 1.366 406 HG12 ILE 52 HG12 ILE 52 2.388 1.467 3.073 407 HG13 ILE 52 HG13 ILE 52 1.885 1.897 1.452 408 HG21 ILE 52 HG21 ILE 52 5.229 3.820 3.394 409 HG22 ILE 52 HG22 ILE 52 3.964 3.032 4.380 410 HG23 ILE 52 HG23 ILE 52 5.085 2.069 3.396 411 HD11 ILE 52 HD11 ILE 52 3.031 -0.333 1.681 412 HD12 ILE 52 HD12 ILE 52 3.692 0.746 0.443 413 HD13 ILE 52 HD13 ILE 52 4.544 0.521 1.985 414 H GLN 53 HN GLN 53 3.103 5.853 4.482 415 HA GLN 53 HA GLN 53 5.065 7.566 2.996 416 HB2 GLN 53 HB2 GLN 53 3.111 8.249 5.243 417 HB3 GLN 53 HB3 GLN 53 4.543 9.180 4.860 418 HG2 GLN 53 HG2 GLN 53 2.889 10.340 3.756 419 HG3 GLN 53 HG3 GLN 53 3.669 9.414 2.465 420 HE21 GLN 53 HE21 GLN 53 2.388 7.839 1.403 421 HE22 GLN 53 HE22 GLN 53 0.786 7.382 1.959 422 H LEU 54 HN LEU 54 7.090 6.950 3.578 423 HA LEU 54 HA LEU 54 7.628 6.180 6.399 424 HB2 LEU 54 HB2 LEU 54 8.392 4.974 3.782 425 HB3 LEU 54 HB3 LEU 54 9.549 4.840 5.094 426 HG LEU 54 HG LEU 54 6.654 3.933 5.320 427 HD11 LEU 54 HD11 LEU 54 7.843 2.738 3.496 428 HD12 LEU 54 HD12 LEU 54 7.484 1.695 4.873 429 HD13 LEU 54 HD13 LEU 54 9.141 2.304 4.639 430 HD21 LEU 54 HD21 LEU 54 9.141 3.297 6.980 431 HD22 LEU 54 HD22 LEU 54 7.535 2.570 7.196 432 HD23 LEU 54 HD23 LEU 54 7.755 4.298 7.488 433 H SER 55 HN SER 55 10.081 6.285 6.742 434 HA SER 55 HA SER 55 11.396 8.781 6.260 435 HB2 SER 55 HB2 SER 55 11.998 6.004 7.150 436 HB3 SER 55 HB3 SER 55 13.350 6.790 6.351 437 HG SER 55 HG SER 55 13.617 7.402 8.340 438 H THR 56 HN THR 56 12.914 9.280 4.644 439 HA THR 56 HA THR 56 12.553 8.554 1.976 440 HB THR 56 HB THR 56 14.946 9.672 3.489 441 HG1 THR 56 HG1 THR 56 13.701 11.293 3.763 442 HG21 THR 56 HG21 THR 56 15.632 9.003 1.215 443 HG22 THR 56 HG22 THR 56 15.696 10.749 1.485 444 HG23 THR 56 HG23 THR 56 14.370 10.046 0.543 445 H ILE 57 HN ILE 57 15.310 7.594 4.093 446 HA ILE 57 HA ILE 57 16.297 5.827 2.079 447 HB ILE 57 HB ILE 57 17.051 5.911 5.015 448 HG12 ILE 57 HG12 ILE 57 18.101 7.582 2.672 449 HG13 ILE 57 HG13 ILE 57 17.176 8.189 4.047 450 HG21 ILE 57 HG21 ILE 57 18.681 5.095 2.558 451 HG22 ILE 57 HG22 ILE 57 19.192 4.983 4.261 452 HG23 ILE 57 HG23 ILE 57 17.900 3.962 3.666 453 HD11 ILE 57 HD11 ILE 57 19.998 7.138 4.095 454 HD12 ILE 57 HD12 ILE 57 19.391 8.751 4.521 455 HD13 ILE 57 HD13 ILE 57 19.011 7.357 5.563 456 H GLU 58 HN GLU 58 14.306 5.317 4.978 457 HA GLU 58 HA GLU 58 14.364 2.499 5.043 458 HB2 GLU 58 HB2 GLU 58 12.070 4.319 5.824 459 HB3 GLU 58 HB3 GLU 58 12.213 2.622 6.263 460 HG2 GLU 58 HG2 GLU 58 14.224 4.766 7.072 461 HG3 GLU 58 HG3 GLU 58 12.900 4.189 8.066 462 H ALA 59 HN ALA 59 11.889 4.636 3.482 463 HA ALA 59 HA ALA 59 10.317 2.673 2.297 464 HB1 ALA 59 HB1 ALA 59 9.847 5.139 2.335 465 HB2 ALA 59 HB2 ALA 59 11.144 5.382 1.180 466 HB3 ALA 59 HB3 ALA 59 9.701 4.459 0.697 467 H ALA 60 HN ALA 60 13.147 4.347 0.826 468 HA ALA 60 HA ALA 60 13.044 2.899 -1.592 469 HB1 ALA 60 HB1 ALA 60 14.171 5.121 -1.205 470 HB2 ALA 60 HB2 ALA 60 15.443 4.288 -0.284 471 HB3 ALA 60 HB3 ALA 60 15.224 3.959 -2.021 472 H GLN 61 HN GLN 61 14.785 2.136 1.436 473 HA GLN 61 HA GLN 61 16.278 -0.080 0.326 474 HB2 GLN 61 HB2 GLN 61 15.430 0.763 3.142 475 HB3 GLN 61 HB3 GLN 61 16.316 -0.738 2.848 476 HG2 GLN 61 HG2 GLN 61 18.113 0.431 1.785 477 HG3 GLN 61 HG3 GLN 61 17.338 1.997 1.968 478 HE21 GLN 61 HE21 GLN 61 16.410 1.941 4.615 479 HE22 GLN 61 HE22 GLN 61 17.727 1.771 5.729 480 H LEU 62 HN LEU 62 13.292 0.082 2.288 481 HA LEU 62 HA LEU 62 12.918 -2.707 2.433 482 HB2 LEU 62 HB2 LEU 62 11.650 -0.421 3.444 483 HB3 LEU 62 HB3 LEU 62 10.456 -1.039 2.317 484 HG LEU 62 HG LEU 62 9.971 -1.795 4.393 485 HD11 LEU 62 HD11 LEU 62 9.443 -3.383 2.804 486 HD12 LEU 62 HD12 LEU 62 9.991 -4.279 4.228 487 HD13 LEU 62 HD13 LEU 62 11.058 -4.115 2.832 488 HD21 LEU 62 HD21 LEU 62 12.144 -1.595 5.552 489 HD22 LEU 62 HD22 LEU 62 12.793 -2.966 4.637 490 HD23 LEU 62 HD23 LEU 62 11.516 -3.231 5.815 491 H LEU 63 HN LEU 63 11.590 -0.312 0.107 492 HA LEU 63 HA LEU 63 9.866 -2.053 -1.120 493 HB2 LEU 63 HB2 LEU 63 9.899 0.350 -1.602 494 HB3 LEU 63 HB3 LEU 63 11.477 0.241 -2.345 495 HG LEU 63 HG LEU 63 9.673 -1.604 -3.720 496 HD11 LEU 63 HD11 LEU 63 7.861 -0.218 -2.934 497 HD12 LEU 63 HD12 LEU 63 8.052 -0.094 -4.688 498 HD13 LEU 63 HD13 LEU 63 8.622 1.221 -3.631 499 HD21 LEU 63 HD21 LEU 63 10.323 -0.256 -5.689 500 HD22 LEU 63 HD22 LEU 63 11.723 -0.691 -4.697 501 HD23 LEU 63 HD23 LEU 63 11.058 0.955 -4.617 502 H GLN 64 HN GLN 64 13.379 -1.677 -1.682 503 HA GLN 64 HA GLN 64 13.501 -3.236 -4.095 504 HB2 GLN 64 HB2 GLN 64 15.569 -2.610 -1.966 505 HB3 GLN 64 HB3 GLN 64 15.943 -3.537 -3.399 506 HG2 GLN 64 HG2 GLN 64 15.395 -1.709 -4.719 507 HG3 GLN 64 HG3 GLN 64 14.827 -0.703 -3.393 508 HE21 GLN 64 HE21 GLN 64 16.692 -0.635 -1.553 509 HE22 GLN 64 HE22 GLN 64 18.336 -0.347 -2.161 510 H ILE 65 HN ILE 65 13.280 -4.184 -0.696 511 HA ILE 65 HA ILE 65 14.199 -6.906 -1.038 512 HB ILE 65 HB ILE 65 12.330 -5.774 1.087 513 HG12 ILE 65 HG12 ILE 65 15.374 -5.982 1.213 514 HG13 ILE 65 HG13 ILE 65 14.462 -4.486 0.987 515 HG21 ILE 65 HG21 ILE 65 12.296 -8.221 1.054 516 HG22 ILE 65 HG22 ILE 65 14.076 -8.266 1.000 517 HG23 ILE 65 HG23 ILE 65 13.261 -7.733 2.448 518 HD11 ILE 65 HD11 ILE 65 13.275 -4.984 3.200 519 HD12 ILE 65 HD12 ILE 65 14.558 -6.178 3.483 520 HD13 ILE 65 HD13 ILE 65 14.979 -4.469 3.248 521 H LEU 66 HN LEU 66 10.994 -5.328 -0.837 522 HA LEU 66 HA LEU 66 9.349 -7.535 -1.433 523 HB2 LEU 66 HB2 LEU 66 8.937 -4.541 -1.831 524 HB3 LEU 66 HB3 LEU 66 7.737 -5.701 -2.326 525 HG LEU 66 HG LEU 66 6.993 -4.989 -0.277 526 HD11 LEU 66 HD11 LEU 66 6.906 -6.875 1.148 527 HD12 LEU 66 HD12 LEU 66 8.451 -7.516 0.565 528 HD13 LEU 66 HD13 LEU 66 7.011 -7.521 -0.499 529 HD21 LEU 66 HD21 LEU 66 8.232 -4.861 1.743 530 HD22 LEU 66 HD22 LEU 66 9.028 -3.885 0.497 531 HD23 LEU 66 HD23 LEU 66 9.709 -5.459 0.973 532 H GLN 67 HN GLN 67 11.521 -6.075 -3.684 533 HA GLN 67 HA GLN 67 9.869 -7.087 -5.953 534 HB2 GLN 67 HB2 GLN 67 12.275 -5.246 -5.880 535 HB3 GLN 67 HB3 GLN 67 11.496 -5.864 -7.341 536 HG2 GLN 67 HG2 GLN 67 9.296 -4.905 -6.475 537 HG3 GLN 67 HG3 GLN 67 10.204 -4.110 -5.195 538 HE21 GLN 67 HE21 GLN 67 8.704 -2.383 -6.771 539 HE22 GLN 67 HE22 GLN 67 9.683 -1.688 -8.003 540 H ALA 68 HN ALA 68 11.715 -8.573 -3.854 541 HA ALA 68 HA ALA 68 12.911 -10.394 -5.899 542 HB1 ALA 68 HB1 ALA 68 14.657 -9.091 -4.916 543 HB2 ALA 68 HB2 ALA 68 14.123 -9.512 -3.280 544 HB3 ALA 68 HB3 ALA 68 14.781 -10.764 -4.353 545 H LEU 69 HN LEU 69 11.215 -10.369 -2.698 546 HA LEU 69 HA LEU 69 11.180 -13.142 -2.223 547 HB2 LEU 69 HB2 LEU 69 9.092 -12.566 -0.980 548 HB3 LEU 69 HB3 LEU 69 10.678 -12.181 -0.413 549 HG LEU 69 HG LEU 69 8.686 -10.526 -0.480 550 HD11 LEU 69 HD11 LEU 69 11.536 -9.826 -0.653 551 HD12 LEU 69 HD12 LEU 69 10.592 -10.218 0.778 552 HD13 LEU 69 HD13 LEU 69 10.266 -8.719 -0.052 553 HD21 LEU 69 HD21 LEU 69 8.235 -9.089 -2.036 554 HD22 LEU 69 HD22 LEU 69 8.423 -10.552 -2.924 555 HD23 LEU 69 HD23 LEU 69 9.756 -9.397 -2.928 556 H HIS 70 HN HIS 70 9.013 -14.260 -2.170 557 HA HIS 70 HA HIS 70 7.698 -14.630 -4.673 558 HB2 HIS 70 HB2 HIS 70 7.266 -15.405 -1.796 559 HB3 HIS 70 HB3 HIS 70 5.832 -15.366 -2.797 560 HD1 HIS 70 HD1 HIS 70 5.326 -17.539 -4.145 561 HD2 HIS 70 HD2 HIS 70 9.382 -17.044 -3.019 562 HE1 HIS 70 HE1 HIS 70 6.523 -19.634 -4.849 563 HA PRO 71 HA PRO 71 5.118 -11.184 -5.047 564 HB2 PRO 71 HB2 PRO 71 2.684 -12.253 -5.940 565 HB3 PRO 71 HB3 PRO 71 4.154 -11.996 -6.917 566 HG2 PRO 71 HG2 PRO 71 3.243 -14.517 -5.502 567 HG3 PRO 71 HG3 PRO 71 3.850 -14.356 -7.189 568 HD2 PRO 71 HD2 PRO 71 5.450 -15.198 -5.204 569 HD3 PRO 71 HD3 PRO 71 6.079 -14.039 -6.415 570 HA PRO 72 HA PRO 72 2.783 -10.152 -1.605 571 HB2 PRO 72 HB2 PRO 72 0.721 -8.522 -2.576 572 HB3 PRO 72 HB3 PRO 72 2.436 -8.053 -2.337 573 HG2 PRO 72 HG2 PRO 72 1.003 -8.984 -4.835 574 HG3 PRO 72 HG3 PRO 72 2.162 -7.623 -4.676 575 HD2 PRO 72 HD2 PRO 72 2.932 -9.997 -5.652 576 HD3 PRO 72 HD3 PRO 72 3.999 -9.091 -4.549 577 H LEU 73 HN LEU 73 1.156 -10.730 -0.263 578 HA LEU 73 HA LEU 73 -0.512 -12.929 -1.086 579 HB2 LEU 73 HB2 LEU 73 0.825 -12.299 1.185 580 HB3 LEU 73 HB3 LEU 73 -0.778 -11.729 1.651 581 HG LEU 73 HG LEU 73 -0.122 -14.521 0.561 582 HD11 LEU 73 HD11 LEU 73 -0.547 -13.503 3.383 583 HD12 LEU 73 HD12 LEU 73 0.969 -14.125 2.697 584 HD13 LEU 73 HD13 LEU 73 -0.414 -15.215 2.933 585 HD21 LEU 73 HD21 LEU 73 -2.481 -14.038 0.177 586 HD22 LEU 73 HD22 LEU 73 -2.664 -13.420 1.840 587 HD23 LEU 73 HD23 LEU 73 -2.350 -15.140 1.534 588 H THR 74 HN THR 74 -2.513 -12.792 -1.772 589 HA THR 74 HA THR 74 -4.013 -10.277 -1.858 590 HB THR 74 HB THR 74 -4.457 -11.462 -3.769 591 HG1 THR 74 HG1 THR 74 -6.415 -12.429 -3.668 592 HG21 THR 74 HG21 THR 74 -3.350 -13.437 -3.607 593 HG22 THR 74 HG22 THR 74 -5.033 -13.903 -3.849 594 HG23 THR 74 HG23 THR 74 -4.320 -14.012 -2.212 595 H ILE 75 HN ILE 75 -6.083 -9.936 -0.847 596 HA ILE 75 HA ILE 75 -6.623 -11.616 1.556 597 HB ILE 75 HB ILE 75 -7.027 -8.651 1.788 598 HG12 ILE 75 HG12 ILE 75 -4.697 -8.561 2.944 599 HG13 ILE 75 HG13 ILE 75 -4.254 -9.861 1.847 600 HG21 ILE 75 HG21 ILE 75 -6.525 -9.136 4.143 601 HG22 ILE 75 HG22 ILE 75 -7.734 -10.260 3.536 602 HG23 ILE 75 HG23 ILE 75 -6.054 -10.798 3.703 603 HD11 ILE 75 HD11 ILE 75 -4.846 -8.247 -0.050 604 HD12 ILE 75 HD12 ILE 75 -5.133 -7.008 1.213 605 HD13 ILE 75 HD13 ILE 75 -3.527 -7.737 1.014 606 H ASP 76 HN ASP 76 -7.877 -11.158 -1.208 607 HA ASP 76 HA ASP 76 -10.594 -11.499 -0.508 608 HB2 ASP 76 HB2 ASP 76 -10.164 -8.854 -0.138 609 HB3 ASP 76 HB3 ASP 76 -10.453 -8.787 -1.851 610 H GLY 77 HN GLY 77 -8.571 -12.654 -2.239 611 HA2 GLY 77 HA1 GLY 77 -8.303 -13.549 -4.294 612 HA3 GLY 77 HA2 GLY 77 -9.967 -13.048 -4.675 613 H LYS 78 HN LYS 78 -7.750 -10.537 -3.806 614 HA LYS 78 HA LYS 78 -7.307 -9.695 -6.617 615 HB2 LYS 78 HB2 LYS 78 -7.218 -7.357 -5.470 616 HB3 LYS 78 HB3 LYS 78 -8.732 -8.087 -5.930 617 HG2 LYS 78 HG2 LYS 78 -9.236 -7.187 -3.957 618 HG3 LYS 78 HG3 LYS 78 -9.006 -8.836 -3.488 619 HD2 LYS 78 HD2 LYS 78 -6.803 -8.195 -2.542 620 HD3 LYS 78 HD3 LYS 78 -7.122 -6.506 -3.029 621 HE2 LYS 78 HE2 LYS 78 -9.229 -6.828 -1.466 622 HE3 LYS 78 HE3 LYS 78 -8.428 -8.311 -0.957 623 HZ1 LYS 78 HZ1 LYS 78 -6.521 -6.825 -0.292 624 HZ2 LYS 78 HZ2 LYS 78 -7.903 -6.699 0.588 625 HZ3 LYS 78 HZ3 LYS 78 -7.595 -5.556 -0.490 626 H THR 79 HN THR 79 -5.135 -10.105 -7.060 627 HA THR 79 HA THR 79 -3.259 -10.017 -4.819 628 HB THR 79 HB THR 79 -2.654 -10.539 -7.741 629 HG1 THR 79 HG1 THR 79 -4.037 -12.108 -6.446 630 HG21 THR 79 HG21 THR 79 -0.691 -9.787 -6.408 631 HG22 THR 79 HG22 THR 79 -0.572 -11.523 -6.736 632 HG23 THR 79 HG23 THR 79 -1.113 -10.954 -5.140 633 H ILE 80 HN ILE 80 -2.406 -8.231 -4.104 634 HA ILE 80 HA ILE 80 -3.023 -5.657 -5.189 635 HB ILE 80 HB ILE 80 -1.043 -6.526 -3.043 636 HG12 ILE 80 HG12 ILE 80 -3.152 -7.416 -2.339 637 HG13 ILE 80 HG13 ILE 80 -2.826 -5.997 -1.381 638 HG21 ILE 80 HG21 ILE 80 -2.405 -3.811 -3.351 639 HG22 ILE 80 HG22 ILE 80 -1.352 -4.338 -2.016 640 HG23 ILE 80 HG23 ILE 80 -0.693 -4.168 -3.621 641 HD11 ILE 80 HD11 ILE 80 -4.401 -4.709 -2.933 642 HD12 ILE 80 HD12 ILE 80 -4.805 -6.264 -3.678 643 HD13 ILE 80 HD13 ILE 80 -5.137 -5.982 -1.953 644 H ASN 81 HN ASN 81 -1.370 -4.074 -5.796 645 HA ASN 81 HA ASN 81 1.030 -5.171 -7.225 646 HB2 ASN 81 HB2 ASN 81 -1.164 -3.542 -8.261 647 HB3 ASN 81 HB3 ASN 81 0.290 -2.581 -8.229 648 HD21 ASN 81 HD21 ASN 81 -1.035 -5.718 -9.493 649 HD22 ASN 81 HD22 ASN 81 0.134 -5.752 -10.801 650 H VAL 82 HN VAL 82 2.827 -3.633 -7.214 651 HA VAL 82 HA VAL 82 2.768 -1.672 -4.960 652 HB VAL 82 HB VAL 82 5.218 -3.238 -5.897 653 HG11 VAL 82 HG11 VAL 82 5.610 -1.128 -4.607 654 HG12 VAL 82 HG12 VAL 82 4.615 -1.767 -3.284 655 HG13 VAL 82 HG13 VAL 82 6.142 -2.570 -3.734 656 HG21 VAL 82 HG21 VAL 82 4.974 -4.670 -3.889 657 HG22 VAL 82 HG22 VAL 82 3.383 -3.946 -3.583 658 HG23 VAL 82 HG23 VAL 82 3.670 -4.937 -5.043 659 H GLU 83 HN GLU 83 3.508 0.374 -5.488 660 HA GLU 83 HA GLU 83 5.195 0.705 -7.881 661 HB2 GLU 83 HB2 GLU 83 2.620 2.125 -7.251 662 HB3 GLU 83 HB3 GLU 83 3.935 3.147 -7.801 663 HG2 GLU 83 HG2 GLU 83 4.152 1.790 -9.834 664 HG3 GLU 83 HG3 GLU 83 2.803 0.789 -9.315 665 H PHE 84 HN PHE 84 6.367 2.575 -7.804 666 HA PHE 84 HA PHE 84 7.086 3.538 -5.051 667 HB2 PHE 84 HB2 PHE 84 8.635 1.789 -5.991 668 HB3 PHE 84 HB3 PHE 84 9.009 2.869 -7.310 669 HD1 PHE 84 HD1 PHE 84 8.690 3.674 -3.602 670 HD2 PHE 84 HD2 PHE 84 11.303 3.296 -7.026 671 HE1 PHE 84 HE1 PHE 84 10.599 4.480 -2.247 672 HE2 PHE 84 HE2 PHE 84 13.195 4.119 -5.657 673 HZ PHE 84 HZ PHE 84 12.840 4.715 -3.267 674 H ALA 85 HN ALA 85 6.073 5.543 -5.168 675 HA ALA 85 HA ALA 85 6.783 7.402 -7.377 676 HB1 ALA 85 HB1 ALA 85 5.234 8.943 -6.160 677 HB2 ALA 85 HB2 ALA 85 4.436 7.509 -6.827 678 HB3 ALA 85 HB3 ALA 85 4.790 7.606 -5.093 679 H LYS 86 HN LYS 86 8.932 7.400 -6.900 680 HA LYS 86 HA LYS 86 9.798 8.906 -4.509 681 HB2 LYS 86 HB2 LYS 86 10.678 6.750 -4.364 682 HB3 LYS 86 HB3 LYS 86 11.174 6.693 -6.058 683 HG2 LYS 86 HG2 LYS 86 12.925 7.008 -4.236 684 HG3 LYS 86 HG3 LYS 86 13.043 7.992 -5.676 685 HD2 LYS 86 HD2 LYS 86 12.463 10.004 -4.573 686 HD3 LYS 86 HD3 LYS 86 11.792 9.194 -3.153 687 HE2 LYS 86 HE2 LYS 86 14.157 8.094 -2.936 688 HE3 LYS 86 HE3 LYS 86 14.705 9.317 -4.104 689 HZ1 LYS 86 HZ1 LYS 86 13.493 9.701 -1.465 690 HZ2 LYS 86 HZ2 LYS 86 13.818 10.966 -2.513 691 HZ3 LYS 86 HZ3 LYS 86 15.049 10.049 -1.875 692 H GLY 87 HN GLY 87 9.900 10.983 -5.223 693 HA2 GLY 87 HA1 GLY 87 10.260 11.699 -7.963 694 HA3 GLY 87 HA2 GLY 87 10.370 12.785 -6.577 695 H SER 88 HN SER 88 12.132 10.878 -8.829 696 HA SER 88 HA SER 88 14.651 12.291 -8.165 697 HB2 SER 88 HB2 SER 88 13.894 10.218 -10.150 698 HB3 SER 88 HB3 SER 88 15.302 11.253 -10.425 699 HG SER 88 HG SER 88 16.364 10.211 -9.026 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 10.144 17.578 1.330 2 HA2 GLY 1 HA1 GLY 1 9.479 15.714 2.793 3 HA3 GLY 1 HA2 GLY 1 9.640 15.211 1.103 4 H HIS 2 HN HIS 2 9.786 13.267 2.901 5 HA HIS 2 HA HIS 2 12.505 12.440 3.557 6 HB2 HIS 2 HB2 HIS 2 9.864 11.010 3.077 7 HB3 HIS 2 HB3 HIS 2 11.361 10.133 3.310 8 HD1 HIS 2 HD1 HIS 2 9.507 9.352 5.361 9 HD2 HIS 2 HD2 HIS 2 11.824 12.857 5.700 10 HE1 HIS 2 HE1 HIS 2 9.805 9.779 7.854 11 H MET 3 HN MET 3 10.401 12.194 0.737 12 HA MET 3 HA MET 3 10.758 12.097 -1.405 13 HB2 MET 3 HB2 MET 3 13.751 11.801 -1.039 14 HB3 MET 3 HB3 MET 3 12.888 12.171 -2.525 15 HG2 MET 3 HG2 MET 3 13.163 13.925 -0.082 16 HG3 MET 3 HG3 MET 3 13.794 14.220 -1.687 17 HE1 MET 3 HE1 MET 3 12.879 16.391 -2.555 18 HE2 MET 3 HE2 MET 3 12.418 15.122 -3.707 19 HE3 MET 3 HE3 MET 3 11.258 16.405 -3.284 20 H ASP 4 HN ASP 4 9.468 10.254 -0.643 21 HA ASP 4 HA ASP 4 10.046 7.905 -2.077 22 HB2 ASP 4 HB2 ASP 4 9.805 6.353 -0.370 23 HB3 ASP 4 HB3 ASP 4 11.129 7.388 0.132 24 H THR 5 HN THR 5 7.945 7.249 -2.781 25 HA THR 5 HA THR 5 5.879 7.280 -0.789 26 HB THR 5 HB THR 5 5.206 8.316 -3.581 27 HG1 THR 5 HG1 THR 5 6.244 9.613 -1.614 28 HG21 THR 5 HG21 THR 5 3.335 7.086 -2.537 29 HG22 THR 5 HG22 THR 5 2.982 8.817 -2.636 30 HG23 THR 5 HG23 THR 5 3.473 8.101 -1.080 31 H ILE 6 HN ILE 6 5.008 5.197 -0.889 32 HA ILE 6 HA ILE 6 5.429 3.657 -3.415 33 HB ILE 6 HB ILE 6 5.057 2.522 -0.606 34 HG12 ILE 6 HG12 ILE 6 7.534 3.027 -2.280 35 HG13 ILE 6 HG13 ILE 6 7.201 3.418 -0.584 36 HG21 ILE 6 HG21 ILE 6 5.716 1.160 -3.251 37 HG22 ILE 6 HG22 ILE 6 5.434 0.359 -1.686 38 HG23 ILE 6 HG23 ILE 6 4.106 1.159 -2.503 39 HD11 ILE 6 HD11 ILE 6 8.747 1.614 -0.561 40 HD12 ILE 6 HD12 ILE 6 7.188 0.876 -0.156 41 HD13 ILE 6 HD13 ILE 6 7.853 0.701 -1.782 42 H ILE 7 HN ILE 7 3.590 3.052 -4.412 43 HA ILE 7 HA ILE 7 1.024 3.634 -3.062 44 HB ILE 7 HB ILE 7 1.555 3.392 -6.022 45 HG12 ILE 7 HG12 ILE 7 1.055 5.756 -4.215 46 HG13 ILE 7 HG13 ILE 7 2.496 5.447 -5.162 47 HG21 ILE 7 HG21 ILE 7 -1.028 4.137 -4.622 48 HG22 ILE 7 HG22 ILE 7 -0.757 4.025 -6.384 49 HG23 ILE 7 HG23 ILE 7 -0.675 2.574 -5.421 50 HD11 ILE 7 HD11 ILE 7 -0.227 6.160 -6.329 51 HD12 ILE 7 HD12 ILE 7 1.179 7.217 -6.185 52 HD13 ILE 7 HD13 ILE 7 1.245 5.794 -7.255 53 H LEU 8 HN LEU 8 -0.258 1.955 -2.734 54 HA LEU 8 HA LEU 8 0.578 -0.817 -3.519 55 HB2 LEU 8 HB2 LEU 8 -1.568 0.083 -1.556 56 HB3 LEU 8 HB3 LEU 8 -1.346 -1.574 -2.111 57 HG LEU 8 HG LEU 8 0.504 0.043 -0.344 58 HD11 LEU 8 HD11 LEU 8 -1.084 -2.548 -0.027 59 HD12 LEU 8 HD12 LEU 8 -1.488 -0.978 0.684 60 HD13 LEU 8 HD13 LEU 8 -0.025 -1.821 1.214 61 HD21 LEU 8 HD21 LEU 8 1.014 -2.670 -1.661 62 HD22 LEU 8 HD22 LEU 8 1.909 -2.071 -0.248 63 HD23 LEU 8 HD23 LEU 8 2.011 -1.204 -1.790 64 H ARG 9 HN ARG 9 -1.012 -2.044 -4.659 65 HA ARG 9 HA ARG 9 -3.283 -0.497 -5.886 66 HB2 ARG 9 HB2 ARG 9 -1.397 -2.343 -7.367 67 HB3 ARG 9 HB3 ARG 9 -2.726 -1.468 -8.107 68 HG2 ARG 9 HG2 ARG 9 -1.537 0.623 -7.909 69 HG3 ARG 9 HG3 ARG 9 -0.426 -0.103 -6.773 70 HD2 ARG 9 HD2 ARG 9 1.000 -0.342 -8.455 71 HD3 ARG 9 HD3 ARG 9 0.045 -1.741 -8.910 72 HE ARG 9 HE ARG 9 0.033 0.984 -10.094 73 HH11 ARG 9 HH11 ARG 9 -0.716 -2.426 -10.612 74 HH12 ARG 9 HH12 ARG 9 -1.399 -2.151 -12.161 75 HH21 ARG 9 HH21 ARG 9 -0.572 1.262 -12.152 76 HH22 ARG 9 HH22 ARG 9 -1.363 0.015 -13.084 77 H ASN 10 HN ASN 10 -4.768 -2.005 -7.044 78 HA ASN 10 HA ASN 10 -6.150 -3.740 -7.155 79 HB2 ASN 10 HB2 ASN 10 -3.918 -4.843 -7.884 80 HB3 ASN 10 HB3 ASN 10 -3.913 -5.575 -6.289 81 HD21 ASN 10 HD21 ASN 10 -4.489 -7.676 -6.687 82 HD22 ASN 10 HD22 ASN 10 -5.880 -8.239 -7.601 83 H LEU 11 HN LEU 11 -6.334 -2.244 -4.942 84 HA LEU 11 HA LEU 11 -6.763 -4.094 -2.645 85 HB2 LEU 11 HB2 LEU 11 -7.031 -1.083 -2.908 86 HB3 LEU 11 HB3 LEU 11 -7.367 -1.995 -1.443 87 HG LEU 11 HG LEU 11 -4.617 -2.099 -2.770 88 HD11 LEU 11 HD11 LEU 11 -5.470 -0.129 -0.621 89 HD12 LEU 11 HD12 LEU 11 -5.241 0.245 -2.333 90 HD13 LEU 11 HD13 LEU 11 -3.863 -0.301 -1.368 91 HD21 LEU 11 HD21 LEU 11 -5.189 -3.743 -0.925 92 HD22 LEU 11 HD22 LEU 11 -5.405 -2.351 0.150 93 HD23 LEU 11 HD23 LEU 11 -3.808 -2.664 -0.571 94 H ASN 12 HN ASN 12 -8.853 -4.798 -2.306 95 HA ASN 12 HA ASN 12 -10.769 -4.391 -4.456 96 HB2 ASN 12 HB2 ASN 12 -10.468 -6.196 -2.081 97 HB3 ASN 12 HB3 ASN 12 -12.103 -5.708 -2.371 98 HD21 ASN 12 HD21 ASN 12 -12.107 -8.153 -2.581 99 HD22 ASN 12 HD22 ASN 12 -11.900 -8.818 -4.177 100 HA PRO 13 HA PRO 13 -13.247 -1.169 -2.753 101 HB2 PRO 13 HB2 PRO 13 -15.834 -2.194 -3.172 102 HB3 PRO 13 HB3 PRO 13 -14.819 -1.355 -4.382 103 HG2 PRO 13 HG2 PRO 13 -15.224 -4.311 -3.960 104 HG3 PRO 13 HG3 PRO 13 -15.120 -3.402 -5.504 105 HD2 PRO 13 HD2 PRO 13 -13.026 -4.777 -4.553 106 HD3 PRO 13 HD3 PRO 13 -12.798 -3.204 -5.371 107 H HIS 14 HN HIS 14 -14.245 -4.463 -1.721 108 HA HIS 14 HA HIS 14 -15.418 -3.734 0.767 109 HB2 HIS 14 HB2 HIS 14 -14.264 -6.261 -0.447 110 HB3 HIS 14 HB3 HIS 14 -14.737 -6.247 1.239 111 HD1 HIS 14 HD1 HIS 14 -17.257 -6.470 1.808 112 HD2 HIS 14 HD2 HIS 14 -16.376 -5.818 -2.266 113 HE1 HIS 14 HE1 HIS 14 -19.374 -6.991 0.513 114 H SER 15 HN SER 15 -12.023 -3.672 -0.061 115 HA SER 15 HA SER 15 -11.069 -4.550 2.575 116 HB2 SER 15 HB2 SER 15 -9.651 -3.013 0.350 117 HB3 SER 15 HB3 SER 15 -8.907 -3.846 1.725 118 HG SER 15 HG SER 15 -10.625 -5.420 0.300 119 H THR 16 HN THR 16 -9.654 -2.858 3.845 120 HA THR 16 HA THR 16 -10.521 -0.087 3.372 121 HB THR 16 HB THR 16 -11.962 -0.525 5.079 122 HG1 THR 16 HG1 THR 16 -9.809 0.319 6.652 123 HG21 THR 16 HG21 THR 16 -11.378 -2.698 5.891 124 HG22 THR 16 HG22 THR 16 -11.455 -1.593 7.250 125 HG23 THR 16 HG23 THR 16 -9.874 -2.106 6.623 126 H MET 17 HN MET 17 -8.310 -1.337 5.881 127 HA MET 17 HA MET 17 -6.052 -1.423 4.054 128 HB2 MET 17 HB2 MET 17 -4.686 0.324 4.938 129 HB3 MET 17 HB3 MET 17 -6.216 1.001 4.409 130 HG2 MET 17 HG2 MET 17 -6.797 0.650 7.019 131 HG3 MET 17 HG3 MET 17 -5.062 0.866 7.106 132 HE1 MET 17 HE1 MET 17 -8.551 2.427 6.805 133 HE2 MET 17 HE2 MET 17 -8.311 3.915 5.867 134 HE3 MET 17 HE3 MET 17 -8.150 2.332 5.075 135 H ASP 18 HN ASP 18 -7.180 -1.240 7.489 136 HA ASP 18 HA ASP 18 -4.966 -2.633 8.522 137 HB2 ASP 18 HB2 ASP 18 -6.588 -1.366 9.850 138 HB3 ASP 18 HB3 ASP 18 -7.823 -2.603 9.514 139 H SER 19 HN SER 19 -7.786 -3.792 6.775 140 HA SER 19 HA SER 19 -7.831 -6.525 7.245 141 HB2 SER 19 HB2 SER 19 -7.877 -5.590 4.410 142 HB3 SER 19 HB3 SER 19 -9.025 -6.605 5.274 143 HG SER 19 HG SER 19 -10.147 -4.885 5.787 144 H ILE 20 HN ILE 20 -5.548 -4.566 5.363 145 HA ILE 20 HA ILE 20 -4.112 -6.914 4.321 146 HB ILE 20 HB ILE 20 -3.853 -3.920 3.761 147 HG12 ILE 20 HG12 ILE 20 -4.745 -5.265 1.437 148 HG13 ILE 20 HG13 ILE 20 -5.710 -5.957 2.714 149 HG21 ILE 20 HG21 ILE 20 -1.738 -5.112 3.327 150 HG22 ILE 20 HG22 ILE 20 -2.575 -6.281 2.296 151 HG23 ILE 20 HG23 ILE 20 -2.480 -4.566 1.827 152 HD11 ILE 20 HD11 ILE 20 -5.406 -2.956 2.325 153 HD12 ILE 20 HD12 ILE 20 -6.732 -3.932 1.664 154 HD13 ILE 20 HD13 ILE 20 -6.528 -3.785 3.422 155 H LEU 21 HN LEU 21 -3.617 -3.940 6.280 156 HA LEU 21 HA LEU 21 -0.872 -4.344 6.569 157 HB2 LEU 21 HB2 LEU 21 -2.878 -2.915 8.401 158 HB3 LEU 21 HB3 LEU 21 -1.156 -2.747 8.612 159 HG LEU 21 HG LEU 21 -2.560 -1.958 6.030 160 HD11 LEU 21 HD11 LEU 21 -2.409 0.352 6.842 161 HD12 LEU 21 HD12 LEU 21 -1.749 -0.221 8.392 162 HD13 LEU 21 HD13 LEU 21 -3.417 -0.627 7.933 163 HD21 LEU 21 HD21 LEU 21 -0.098 -2.402 5.848 164 HD22 LEU 21 HD22 LEU 21 0.165 -1.265 7.174 165 HD23 LEU 21 HD23 LEU 21 -0.490 -0.687 5.638 166 H GLY 22 HN GLY 22 -3.447 -5.757 8.565 167 HA2 GLY 22 HA1 GLY 22 -1.413 -6.721 10.504 168 HA3 GLY 22 HA2 GLY 22 -3.170 -6.836 10.660 169 H ALA 23 HN ALA 23 -2.069 -7.724 7.559 170 HA ALA 23 HA ALA 23 -1.879 -10.631 8.237 171 HB1 ALA 23 HB1 ALA 23 -4.049 -10.134 7.159 172 HB2 ALA 23 HB2 ALA 23 -3.232 -9.287 5.835 173 HB3 ALA 23 HB3 ALA 23 -2.999 -11.033 6.044 174 H LEU 24 HN LEU 24 -1.339 -8.256 5.645 175 HA LEU 24 HA LEU 24 0.836 -9.837 4.527 176 HB2 LEU 24 HB2 LEU 24 -1.182 -8.932 3.306 177 HB3 LEU 24 HB3 LEU 24 -0.540 -7.308 3.528 178 HG LEU 24 HG LEU 24 -0.211 -9.046 1.369 179 HD11 LEU 24 HD11 LEU 24 -0.060 -6.610 1.296 180 HD12 LEU 24 HD12 LEU 24 1.246 -7.385 0.393 181 HD13 LEU 24 HD13 LEU 24 1.575 -6.681 1.979 182 HD21 LEU 24 HD21 LEU 24 2.157 -9.628 1.144 183 HD22 LEU 24 HD22 LEU 24 1.430 -10.466 2.503 184 HD23 LEU 24 HD23 LEU 24 2.493 -9.055 2.759 185 H ALA 25 HN ALA 25 1.596 -8.802 6.949 186 HA ALA 25 HA ALA 25 3.673 -6.809 6.082 187 HB1 ALA 25 HB1 ALA 25 2.383 -6.980 8.793 188 HB2 ALA 25 HB2 ALA 25 3.612 -5.844 8.181 189 HB3 ALA 25 HB3 ALA 25 1.982 -5.794 7.514 190 HA PRO 26 HA PRO 26 5.731 -10.606 7.878 191 HB2 PRO 26 HB2 PRO 26 6.813 -11.744 5.593 192 HB3 PRO 26 HB3 PRO 26 5.249 -12.226 6.306 193 HG2 PRO 26 HG2 PRO 26 5.740 -10.286 4.036 194 HG3 PRO 26 HG3 PRO 26 4.555 -11.619 4.107 195 HD2 PRO 26 HD2 PRO 26 3.885 -9.055 4.620 196 HD3 PRO 26 HD3 PRO 26 3.169 -10.402 5.558 197 H TYR 27 HN TYR 27 6.459 -8.045 5.575 198 HA TYR 27 HA TYR 27 9.344 -8.118 6.370 199 HB2 TYR 27 HB2 TYR 27 8.298 -7.253 3.657 200 HB3 TYR 27 HB3 TYR 27 9.951 -7.502 4.139 201 HD1 TYR 27 HD1 TYR 27 7.228 -8.965 2.433 202 HD2 TYR 27 HD2 TYR 27 10.499 -9.962 5.049 203 HE1 TYR 27 HE1 TYR 27 7.065 -11.327 1.718 204 HE2 TYR 27 HE2 TYR 27 10.345 -12.330 4.342 205 HH TYR 27 HH TYR 27 9.050 -13.887 3.232 206 H ALA 28 HN ALA 28 6.479 -6.065 5.900 207 HA ALA 28 HA ALA 28 7.936 -3.853 7.151 208 HB1 ALA 28 HB1 ALA 28 8.317 -3.343 4.814 209 HB2 ALA 28 HB2 ALA 28 6.602 -3.616 4.409 210 HB3 ALA 28 HB3 ALA 28 7.074 -2.244 5.434 211 H VAL 29 HN VAL 29 6.658 -3.394 8.828 212 HA VAL 29 HA VAL 29 3.729 -3.771 8.558 213 HB VAL 29 HB VAL 29 5.402 -3.592 11.075 214 HG11 VAL 29 HG11 VAL 29 3.051 -2.907 11.405 215 HG12 VAL 29 HG12 VAL 29 2.486 -4.376 10.581 216 HG13 VAL 29 HG13 VAL 29 3.301 -4.493 12.140 217 HG21 VAL 29 HG21 VAL 29 4.153 -6.175 10.203 218 HG22 VAL 29 HG22 VAL 29 5.812 -5.757 9.756 219 HG23 VAL 29 HG23 VAL 29 5.334 -5.839 11.453 220 H LEU 30 HN LEU 30 3.096 -1.815 7.685 221 HA LEU 30 HA LEU 30 4.092 0.719 8.792 222 HB2 LEU 30 HB2 LEU 30 1.718 0.229 6.943 223 HB3 LEU 30 HB3 LEU 30 2.446 1.752 7.354 224 HG LEU 30 HG LEU 30 3.190 1.446 5.288 225 HD11 LEU 30 HD11 LEU 30 5.581 0.989 5.282 226 HD12 LEU 30 HD12 LEU 30 5.466 0.164 6.845 227 HD13 LEU 30 HD13 LEU 30 5.122 1.904 6.741 228 HD21 LEU 30 HD21 LEU 30 2.405 -0.865 4.918 229 HD22 LEU 30 HD22 LEU 30 3.946 -1.456 5.583 230 HD23 LEU 30 HD23 LEU 30 3.925 -0.425 4.121 231 H SER 31 HN SER 31 2.544 2.284 9.781 232 HA SER 31 HA SER 31 0.214 1.090 11.186 233 HB2 SER 31 HB2 SER 31 1.530 3.819 11.244 234 HB3 SER 31 HB3 SER 31 -0.159 3.627 11.696 235 HG SER 31 HG SER 31 0.748 3.339 13.521 236 H SER 32 HN SER 32 -1.905 2.010 10.827 237 HA SER 32 HA SER 32 -2.737 2.279 8.120 238 HB2 SER 32 HB2 SER 32 -4.874 2.910 9.061 239 HB3 SER 32 HB3 SER 32 -4.199 1.518 9.926 240 HG SER 32 HG SER 32 -3.708 2.873 11.635 241 H SER 33 HN SER 33 -1.546 4.697 10.401 242 HA SER 33 HA SER 33 -2.621 7.017 9.119 243 HB2 SER 33 HB2 SER 33 -0.605 8.019 10.462 244 HB3 SER 33 HB3 SER 33 -1.927 7.240 11.346 245 HG SER 33 HG SER 33 0.585 6.653 11.505 246 H ASN 34 HN ASN 34 0.317 5.056 8.664 247 HA ASN 34 HA ASN 34 1.612 6.883 6.844 248 HB2 ASN 34 HB2 ASN 34 1.963 3.878 7.210 249 HB3 ASN 34 HB3 ASN 34 3.059 4.915 6.302 250 HD21 ASN 34 HD21 ASN 34 4.648 6.128 7.428 251 HD22 ASN 34 HD22 ASN 34 4.732 6.030 9.198 252 H VAL 35 HN VAL 35 -0.979 4.552 6.550 253 HA VAL 35 HA VAL 35 -0.610 4.404 3.619 254 HB VAL 35 HB VAL 35 -2.046 2.447 5.438 255 HG11 VAL 35 HG11 VAL 35 -2.992 2.560 3.156 256 HG12 VAL 35 HG12 VAL 35 -1.365 2.385 2.461 257 HG13 VAL 35 HG13 VAL 35 -2.093 1.047 3.388 258 HG21 VAL 35 HG21 VAL 35 0.005 1.043 4.494 259 HG22 VAL 35 HG22 VAL 35 0.745 2.619 4.234 260 HG23 VAL 35 HG23 VAL 35 0.260 2.135 5.868 261 H ARG 36 HN ARG 36 -1.470 6.243 3.078 262 HA ARG 36 HA ARG 36 -4.130 7.139 3.774 263 HB2 ARG 36 HB2 ARG 36 -1.905 7.980 1.975 264 HB3 ARG 36 HB3 ARG 36 -3.514 8.417 1.406 265 HG2 ARG 36 HG2 ARG 36 -2.465 9.052 4.203 266 HG3 ARG 36 HG3 ARG 36 -2.367 10.152 2.812 267 HD2 ARG 36 HD2 ARG 36 -4.861 9.950 2.542 268 HD3 ARG 36 HD3 ARG 36 -4.927 9.025 4.039 269 HE ARG 36 HE ARG 36 -3.549 11.387 4.661 270 HH11 ARG 36 HH11 ARG 36 -6.799 10.521 3.509 271 HH12 ARG 36 HH12 ARG 36 -7.598 11.817 4.340 272 HH21 ARG 36 HH21 ARG 36 -4.643 12.922 5.987 273 HH22 ARG 36 HH22 ARG 36 -6.371 13.057 5.887 274 H VAL 37 HN VAL 37 -5.836 5.910 3.325 275 HA VAL 37 HA VAL 37 -6.177 4.848 0.556 276 HB VAL 37 HB VAL 37 -7.615 3.948 3.099 277 HG11 VAL 37 HG11 VAL 37 -8.497 2.137 1.687 278 HG12 VAL 37 HG12 VAL 37 -8.993 3.692 1.022 279 HG13 VAL 37 HG13 VAL 37 -7.669 2.800 0.264 280 HG21 VAL 37 HG21 VAL 37 -5.270 2.861 1.548 281 HG22 VAL 37 HG22 VAL 37 -5.441 3.051 3.299 282 HG23 VAL 37 HG23 VAL 37 -6.318 1.763 2.433 283 H ILE 38 HN ILE 38 -7.207 6.406 -0.577 284 HA ILE 38 HA ILE 38 -9.155 8.259 0.576 285 HB ILE 38 HB ILE 38 -8.613 7.432 -2.297 286 HG12 ILE 38 HG12 ILE 38 -7.596 9.989 -1.008 287 HG13 ILE 38 HG13 ILE 38 -6.615 8.528 -1.121 288 HG21 ILE 38 HG21 ILE 38 -10.848 8.461 -1.974 289 HG22 ILE 38 HG22 ILE 38 -10.105 9.858 -1.174 290 HG23 ILE 38 HG23 ILE 38 -9.825 9.533 -2.895 291 HD11 ILE 38 HD11 ILE 38 -6.893 8.500 -3.578 292 HD12 ILE 38 HD12 ILE 38 -7.799 10.020 -3.496 293 HD13 ILE 38 HD13 ILE 38 -6.105 9.978 -2.981 294 H LYS 39 HN LYS 39 -11.245 7.500 1.256 295 HA LYS 39 HA LYS 39 -12.361 5.182 -0.078 296 HB2 LYS 39 HB2 LYS 39 -13.485 7.095 2.004 297 HB3 LYS 39 HB3 LYS 39 -14.149 5.571 1.471 298 HG2 LYS 39 HG2 LYS 39 -11.610 5.911 3.093 299 HG3 LYS 39 HG3 LYS 39 -13.152 5.280 3.647 300 HD2 LYS 39 HD2 LYS 39 -12.923 3.375 2.010 301 HD3 LYS 39 HD3 LYS 39 -11.327 4.012 1.590 302 HE2 LYS 39 HE2 LYS 39 -10.722 2.435 3.137 303 HE3 LYS 39 HE3 LYS 39 -10.812 3.890 4.145 304 HZ1 LYS 39 HZ1 LYS 39 -12.811 1.722 3.920 305 HZ2 LYS 39 HZ2 LYS 39 -13.121 3.110 4.714 306 HZ3 LYS 39 HZ3 LYS 39 -11.913 2.146 5.261 307 H ASP 40 HN ASP 40 -14.290 5.404 -1.354 308 HA ASP 40 HA ASP 40 -14.731 7.788 -2.924 309 HB2 ASP 40 HB2 ASP 40 -15.627 5.281 -3.150 310 HB3 ASP 40 HB3 ASP 40 -16.915 5.904 -2.089 311 H LYS 41 HN LYS 41 -15.631 6.649 0.182 312 HA LYS 41 HA LYS 41 -16.635 7.462 2.015 313 HB2 LYS 41 HB2 LYS 41 -17.288 10.088 0.657 314 HB3 LYS 41 HB3 LYS 41 -17.251 9.693 2.380 315 HG2 LYS 41 HG2 LYS 41 -14.767 9.125 2.083 316 HG3 LYS 41 HG3 LYS 41 -14.857 9.850 0.485 317 HD2 LYS 41 HD2 LYS 41 -15.525 11.294 3.061 318 HD3 LYS 41 HD3 LYS 41 -13.961 11.373 2.268 319 HE2 LYS 41 HE2 LYS 41 -16.444 12.016 0.664 320 HE3 LYS 41 HE3 LYS 41 -15.883 13.183 1.857 321 HZ1 LYS 41 HZ1 LYS 41 -14.240 12.142 -0.369 322 HZ2 LYS 41 HZ2 LYS 41 -13.765 13.241 0.778 323 HZ3 LYS 41 HZ3 LYS 41 -14.948 13.632 -0.282 324 H GLN 42 HN GLN 42 -18.571 8.605 -0.802 325 HA GLN 42 HA GLN 42 -20.993 8.043 0.535 326 HB2 GLN 42 HB2 GLN 42 -20.192 8.782 -2.182 327 HB3 GLN 42 HB3 GLN 42 -21.649 7.800 -2.183 328 HG2 GLN 42 HG2 GLN 42 -22.351 10.057 -2.052 329 HG3 GLN 42 HG3 GLN 42 -22.681 9.293 -0.499 330 HE21 GLN 42 HE21 GLN 42 -19.889 11.032 -2.031 331 HE22 GLN 42 HE22 GLN 42 -19.528 12.000 -0.591 332 H THR 43 HN THR 43 -19.339 6.011 -1.920 333 HA THR 43 HA THR 43 -21.309 3.926 -1.758 334 HB THR 43 HB THR 43 -19.789 2.754 -3.294 335 HG1 THR 43 HG1 THR 43 -17.985 4.576 -3.809 336 HG21 THR 43 HG21 THR 43 -19.955 5.722 -4.006 337 HG22 THR 43 HG22 THR 43 -21.280 4.560 -4.175 338 HG23 THR 43 HG23 THR 43 -19.792 4.350 -5.109 339 H GLN 44 HN GLN 44 -18.922 4.918 0.320 340 HA GLN 44 HA GLN 44 -17.660 4.240 1.928 341 HB2 GLN 44 HB2 GLN 44 -19.262 1.720 2.163 342 HB3 GLN 44 HB3 GLN 44 -18.381 2.550 3.437 343 HG2 GLN 44 HG2 GLN 44 -20.944 3.473 2.083 344 HG3 GLN 44 HG3 GLN 44 -20.800 2.835 3.708 345 HE21 GLN 44 HE21 GLN 44 -18.531 4.373 4.666 346 HE22 GLN 44 HE22 GLN 44 -19.076 6.040 4.693 347 H LEU 45 HN LEU 45 -17.176 3.143 -0.948 348 HA LEU 45 HA LEU 45 -15.442 0.824 -0.357 349 HB2 LEU 45 HB2 LEU 45 -15.900 2.223 -3.010 350 HB3 LEU 45 HB3 LEU 45 -15.260 0.607 -2.734 351 HG LEU 45 HG LEU 45 -18.121 1.538 -2.299 352 HD11 LEU 45 HD11 LEU 45 -16.979 -0.455 -4.251 353 HD12 LEU 45 HD12 LEU 45 -17.384 1.240 -4.622 354 HD13 LEU 45 HD13 LEU 45 -18.664 0.104 -4.147 355 HD21 LEU 45 HD21 LEU 45 -17.747 -0.067 -0.560 356 HD22 LEU 45 HD22 LEU 45 -16.933 -1.180 -1.654 357 HD23 LEU 45 HD23 LEU 45 -18.669 -0.848 -1.842 358 H ASN 46 HN ASN 46 -13.300 1.002 -1.735 359 HA ASN 46 HA ASN 46 -11.852 3.438 -0.862 360 HB2 ASN 46 HB2 ASN 46 -10.560 1.034 -2.154 361 HB3 ASN 46 HB3 ASN 46 -9.857 2.301 -1.161 362 HD21 ASN 46 HD21 ASN 46 -10.894 -0.936 -1.002 363 HD22 ASN 46 HD22 ASN 46 -11.230 -0.820 0.703 364 H ARG 47 HN ARG 47 -10.003 3.932 -2.715 365 HA ARG 47 HA ARG 47 -11.325 3.924 -5.396 366 HB2 ARG 47 HB2 ARG 47 -8.798 5.412 -4.632 367 HB3 ARG 47 HB3 ARG 47 -9.677 5.473 -6.165 368 HG2 ARG 47 HG2 ARG 47 -11.686 6.062 -4.331 369 HG3 ARG 47 HG3 ARG 47 -10.290 6.790 -3.573 370 HD2 ARG 47 HD2 ARG 47 -11.481 7.362 -6.302 371 HD3 ARG 47 HD3 ARG 47 -11.497 8.416 -4.879 372 HE ARG 47 HE ARG 47 -8.794 8.019 -5.536 373 HH11 ARG 47 HH11 ARG 47 -11.701 9.397 -7.061 374 HH12 ARG 47 HH12 ARG 47 -10.819 10.509 -8.049 375 HH21 ARG 47 HH21 ARG 47 -7.611 9.576 -6.847 376 HH22 ARG 47 HH22 ARG 47 -8.471 10.527 -7.988 377 H GLY 48 HN GLY 48 -9.111 2.040 -3.574 378 HA2 GLY 48 HA1 GLY 48 -8.598 -0.067 -4.177 379 HA3 GLY 48 HA2 GLY 48 -8.824 0.324 -5.876 380 H PHE 49 HN PHE 49 -6.826 2.566 -4.293 381 HA PHE 49 HA PHE 49 -4.413 0.951 -4.271 382 HB2 PHE 49 HB2 PHE 49 -3.077 2.913 -5.214 383 HB3 PHE 49 HB3 PHE 49 -3.980 1.944 -6.350 384 HD1 PHE 49 HD1 PHE 49 -4.097 5.140 -4.403 385 HD2 PHE 49 HD2 PHE 49 -5.474 2.902 -7.788 386 HE1 PHE 49 HE1 PHE 49 -5.464 7.124 -5.140 387 HE2 PHE 49 HE2 PHE 49 -6.842 4.906 -8.542 388 HZ PHE 49 HZ PHE 49 -6.842 6.968 -7.194 389 H ALA 50 HN ALA 50 -2.747 2.154 -2.900 390 HA ALA 50 HA ALA 50 -3.941 4.128 -1.029 391 HB1 ALA 50 HB1 ALA 50 -2.387 1.661 -0.121 392 HB2 ALA 50 HB2 ALA 50 -3.097 2.932 0.886 393 HB3 ALA 50 HB3 ALA 50 -4.151 1.817 -0.012 394 H PHE 51 HN PHE 51 -2.231 5.282 0.161 395 HA PHE 51 HA PHE 51 0.369 5.342 -1.324 396 HB2 PHE 51 HB2 PHE 51 -1.067 7.594 0.122 397 HB3 PHE 51 HB3 PHE 51 0.400 7.721 -0.792 398 HD1 PHE 51 HD1 PHE 51 0.315 7.494 -3.295 399 HD2 PHE 51 HD2 PHE 51 -3.234 7.642 -0.860 400 HE1 PHE 51 HE1 PHE 51 -1.035 7.961 -5.300 401 HE2 PHE 51 HE2 PHE 51 -4.572 8.240 -2.820 402 HZ PHE 51 HZ PHE 51 -3.501 8.408 -5.073 403 H ILE 52 HN ILE 52 1.877 4.386 -0.061 404 HA ILE 52 HA ILE 52 1.815 4.489 2.864 405 HB ILE 52 HB ILE 52 3.787 3.326 0.907 406 HG12 ILE 52 HG12 ILE 52 2.005 1.594 2.618 407 HG13 ILE 52 HG13 ILE 52 1.351 2.224 1.113 408 HG21 ILE 52 HG21 ILE 52 4.996 3.653 2.872 409 HG22 ILE 52 HG22 ILE 52 3.630 3.201 3.932 410 HG23 ILE 52 HG23 ILE 52 4.493 1.965 3.001 411 HD11 ILE 52 HD11 ILE 52 3.994 0.730 1.190 412 HD12 ILE 52 HD12 ILE 52 2.427 -0.063 0.987 413 HD13 ILE 52 HD13 ILE 52 2.982 1.126 -0.213 414 H GLN 53 HN GLN 53 3.191 5.896 4.034 415 HA GLN 53 HA GLN 53 5.246 7.507 2.608 416 HB2 GLN 53 HB2 GLN 53 3.209 8.355 4.730 417 HB3 GLN 53 HB3 GLN 53 4.740 9.167 4.479 418 HG2 GLN 53 HG2 GLN 53 3.404 10.515 3.246 419 HG3 GLN 53 HG3 GLN 53 3.993 9.424 1.993 420 HE21 GLN 53 HE21 GLN 53 2.493 7.793 1.183 421 HE22 GLN 53 HE22 GLN 53 0.797 7.854 1.616 422 H LEU 54 HN LEU 54 7.042 6.282 3.210 423 HA LEU 54 HA LEU 54 7.236 5.401 6.032 424 HB2 LEU 54 HB2 LEU 54 8.013 4.219 3.453 425 HB3 LEU 54 HB3 LEU 54 9.361 4.242 4.556 426 HG LEU 54 HG LEU 54 6.675 2.925 4.981 427 HD11 LEU 54 HD11 LEU 54 7.978 0.843 5.027 428 HD12 LEU 54 HD12 LEU 54 9.499 1.749 4.920 429 HD13 LEU 54 HD13 LEU 54 8.397 1.714 3.559 430 HD21 LEU 54 HD21 LEU 54 7.299 3.684 7.184 431 HD22 LEU 54 HD22 LEU 54 9.018 3.225 6.901 432 HD23 LEU 54 HD23 LEU 54 7.750 1.995 7.092 433 H SER 55 HN SER 55 9.874 5.177 6.339 434 HA SER 55 HA SER 55 11.173 7.818 6.430 435 HB2 SER 55 HB2 SER 55 11.525 5.055 7.348 436 HB3 SER 55 HB3 SER 55 13.022 5.645 6.647 437 HG SER 55 HG SER 55 12.774 5.937 8.914 438 H THR 56 HN THR 56 12.851 8.431 4.841 439 HA THR 56 HA THR 56 12.684 7.745 2.256 440 HB THR 56 HB THR 56 15.308 8.308 3.723 441 HG1 THR 56 HG1 THR 56 13.845 10.404 2.759 442 HG21 THR 56 HG21 THR 56 15.855 9.647 1.694 443 HG22 THR 56 HG22 THR 56 14.370 9.043 0.918 444 HG23 THR 56 HG23 THR 56 15.676 7.921 1.352 445 H ILE 57 HN ILE 57 15.167 6.292 4.445 446 HA ILE 57 HA ILE 57 16.105 4.479 2.458 447 HB ILE 57 HB ILE 57 16.443 4.373 5.478 448 HG12 ILE 57 HG12 ILE 57 17.152 6.578 4.700 449 HG13 ILE 57 HG13 ILE 57 18.514 5.620 5.208 450 HG21 ILE 57 HG21 ILE 57 17.145 2.292 4.514 451 HG22 ILE 57 HG22 ILE 57 18.069 3.106 3.236 452 HG23 ILE 57 HG23 ILE 57 18.594 3.197 4.931 453 HD11 ILE 57 HD11 ILE 57 19.049 6.886 3.190 454 HD12 ILE 57 HD12 ILE 57 19.122 5.157 2.853 455 HD13 ILE 57 HD13 ILE 57 17.723 6.117 2.306 456 H GLU 58 HN GLU 58 13.930 4.087 5.260 457 HA GLU 58 HA GLU 58 13.527 1.322 5.131 458 HB2 GLU 58 HB2 GLU 58 11.441 3.405 5.830 459 HB3 GLU 58 HB3 GLU 58 11.324 1.701 6.202 460 HG2 GLU 58 HG2 GLU 58 13.514 3.493 7.305 461 HG3 GLU 58 HG3 GLU 58 11.950 3.202 8.077 462 H ALA 59 HN ALA 59 11.797 3.950 3.426 463 HA ALA 59 HA ALA 59 9.931 2.347 2.030 464 HB1 ALA 59 HB1 ALA 59 9.751 4.869 2.301 465 HB2 ALA 59 HB2 ALA 59 11.099 5.067 1.202 466 HB3 ALA 59 HB3 ALA 59 9.589 4.343 0.627 467 H ALA 60 HN ALA 60 13.038 3.858 1.059 468 HA ALA 60 HA ALA 60 12.998 3.094 -1.630 469 HB1 ALA 60 HB1 ALA 60 14.421 4.892 -0.702 470 HB2 ALA 60 HB2 ALA 60 15.421 3.679 0.135 471 HB3 ALA 60 HB3 ALA 60 15.373 3.737 -1.643 472 H GLN 61 HN GLN 61 14.640 1.477 1.126 473 HA GLN 61 HA GLN 61 15.820 -0.617 -0.463 474 HB2 GLN 61 HB2 GLN 61 15.139 -0.336 2.478 475 HB3 GLN 61 HB3 GLN 61 15.999 -1.739 1.813 476 HG2 GLN 61 HG2 GLN 61 17.785 -0.253 0.971 477 HG3 GLN 61 HG3 GLN 61 16.964 1.154 1.660 478 HE21 GLN 61 HE21 GLN 61 16.181 -0.716 4.095 479 HE22 GLN 61 HE22 GLN 61 17.622 -0.738 5.042 480 H LEU 62 HN LEU 62 12.885 -0.522 1.642 481 HA LEU 62 HA LEU 62 12.041 -3.155 1.305 482 HB2 LEU 62 HB2 LEU 62 11.152 -1.678 2.918 483 HB3 LEU 62 HB3 LEU 62 10.498 -0.581 1.702 484 HG LEU 62 HG LEU 62 8.886 -1.953 2.939 485 HD11 LEU 62 HD11 LEU 62 8.638 -2.397 -0.025 486 HD12 LEU 62 HD12 LEU 62 8.329 -0.876 0.825 487 HD13 LEU 62 HD13 LEU 62 7.365 -2.311 1.195 488 HD21 LEU 62 HD21 LEU 62 9.851 -4.331 1.314 489 HD22 LEU 62 HD22 LEU 62 8.454 -4.285 2.401 490 HD23 LEU 62 HD23 LEU 62 10.089 -4.094 3.060 491 H LEU 63 HN LEU 63 11.416 -0.345 -0.817 492 HA LEU 63 HA LEU 63 9.532 -1.594 -2.508 493 HB2 LEU 63 HB2 LEU 63 10.112 0.846 -2.570 494 HB3 LEU 63 HB3 LEU 63 11.689 0.438 -3.249 495 HG LEU 63 HG LEU 63 10.229 -0.791 -5.105 496 HD11 LEU 63 HD11 LEU 63 8.047 -0.403 -3.973 497 HD12 LEU 63 HD12 LEU 63 8.097 0.299 -5.595 498 HD13 LEU 63 HD13 LEU 63 8.276 1.352 -4.175 499 HD21 LEU 63 HD21 LEU 63 10.513 2.209 -5.014 500 HD22 LEU 63 HD22 LEU 63 10.290 1.218 -6.476 501 HD23 LEU 63 HD23 LEU 63 11.769 1.059 -5.525 502 H GLN 64 HN GLN 64 13.124 -1.530 -2.676 503 HA GLN 64 HA GLN 64 13.331 -2.990 -5.135 504 HB2 GLN 64 HB2 GLN 64 15.271 -2.972 -2.790 505 HB3 GLN 64 HB3 GLN 64 15.668 -3.412 -4.454 506 HG2 GLN 64 HG2 GLN 64 14.780 -0.640 -3.587 507 HG3 GLN 64 HG3 GLN 64 16.447 -1.170 -3.652 508 HE21 GLN 64 HE21 GLN 64 13.503 -0.829 -5.780 509 HE22 GLN 64 HE22 GLN 64 14.457 -0.213 -7.101 510 H ILE 65 HN ILE 65 13.011 -4.039 -1.741 511 HA ILE 65 HA ILE 65 13.517 -6.839 -2.210 512 HB ILE 65 HB ILE 65 12.002 -5.496 0.053 513 HG12 ILE 65 HG12 ILE 65 14.904 -6.427 -0.025 514 HG13 ILE 65 HG13 ILE 65 14.419 -4.756 -0.231 515 HG21 ILE 65 HG21 ILE 65 11.523 -7.958 -0.191 516 HG22 ILE 65 HG22 ILE 65 13.251 -8.266 0.016 517 HG23 ILE 65 HG23 ILE 65 12.300 -7.534 1.329 518 HD11 ILE 65 HD11 ILE 65 13.383 -4.777 2.041 519 HD12 ILE 65 HD12 ILE 65 14.063 -6.405 2.284 520 HD13 ILE 65 HD13 ILE 65 15.138 -5.026 2.019 521 H LEU 66 HN LEU 66 10.429 -4.980 -1.801 522 HA LEU 66 HA LEU 66 8.703 -7.005 -2.626 523 HB2 LEU 66 HB2 LEU 66 8.415 -4.016 -3.031 524 HB3 LEU 66 HB3 LEU 66 7.144 -5.198 -3.335 525 HG LEU 66 HG LEU 66 8.388 -4.595 -0.638 526 HD11 LEU 66 HD11 LEU 66 6.135 -3.738 -0.117 527 HD12 LEU 66 HD12 LEU 66 5.568 -4.146 -1.744 528 HD13 LEU 66 HD13 LEU 66 6.801 -2.880 -1.522 529 HD21 LEU 66 HD21 LEU 66 6.114 -6.522 -1.290 530 HD22 LEU 66 HD22 LEU 66 6.712 -6.046 0.335 531 HD23 LEU 66 HD23 LEU 66 7.746 -6.985 -0.738 532 H GLN 67 HN GLN 67 10.904 -5.258 -4.671 533 HA GLN 67 HA GLN 67 9.441 -6.085 -7.114 534 HB2 GLN 67 HB2 GLN 67 11.866 -4.328 -6.554 535 HB3 GLN 67 HB3 GLN 67 11.295 -4.709 -8.187 536 HG2 GLN 67 HG2 GLN 67 9.114 -3.843 -7.728 537 HG3 GLN 67 HG3 GLN 67 9.484 -3.481 -6.065 538 HE21 GLN 67 HE21 GLN 67 8.470 -1.506 -7.438 539 HE22 GLN 67 HE22 GLN 67 9.633 -0.295 -7.866 540 H ALA 68 HN ALA 68 11.231 -7.735 -5.097 541 HA ALA 68 HA ALA 68 12.455 -9.397 -7.226 542 HB1 ALA 68 HB1 ALA 68 14.146 -7.749 -6.392 543 HB2 ALA 68 HB2 ALA 68 13.934 -8.398 -4.751 544 HB3 ALA 68 HB3 ALA 68 14.615 -9.415 -6.036 545 H LEU 69 HN LEU 69 11.047 -9.312 -4.038 546 HA LEU 69 HA LEU 69 11.689 -12.042 -3.388 547 HB2 LEU 69 HB2 LEU 69 10.457 -11.762 -1.448 548 HB3 LEU 69 HB3 LEU 69 11.499 -10.398 -1.697 549 HG LEU 69 HG LEU 69 9.905 -8.979 -1.554 550 HD11 LEU 69 HD11 LEU 69 7.705 -8.835 -2.660 551 HD12 LEU 69 HD12 LEU 69 7.936 -10.388 -3.390 552 HD13 LEU 69 HD13 LEU 69 9.012 -9.065 -3.826 553 HD21 LEU 69 HD21 LEU 69 9.219 -10.498 0.181 554 HD22 LEU 69 HD22 LEU 69 8.151 -11.369 -0.946 555 HD23 LEU 69 HD23 LEU 69 7.796 -9.674 -0.477 556 H HIS 70 HN HIS 70 9.547 -13.258 -2.471 557 HA HIS 70 HA HIS 70 7.945 -13.974 -4.770 558 HB2 HIS 70 HB2 HIS 70 8.348 -14.962 -1.988 559 HB3 HIS 70 HB3 HIS 70 6.716 -15.165 -2.583 560 HD1 HIS 70 HD1 HIS 70 7.753 -15.913 -5.749 561 HD2 HIS 70 HD2 HIS 70 8.748 -17.585 -1.976 562 HE1 HIS 70 HE1 HIS 70 8.365 -18.289 -6.170 563 HA PRO 71 HA PRO 71 4.794 -11.076 -4.431 564 HB2 PRO 71 HB2 PRO 71 2.590 -12.383 -5.475 565 HB3 PRO 71 HB3 PRO 71 4.036 -11.946 -6.433 566 HG2 PRO 71 HG2 PRO 71 3.460 -14.581 -5.021 567 HG3 PRO 71 HG3 PRO 71 3.933 -14.346 -6.743 568 HD2 PRO 71 HD2 PRO 71 5.772 -14.930 -4.798 569 HD3 PRO 71 HD3 PRO 71 6.162 -13.765 -6.117 570 HA PRO 72 HA PRO 72 2.642 -11.273 -0.720 571 HB2 PRO 72 HB2 PRO 72 0.520 -9.511 -1.128 572 HB3 PRO 72 HB3 PRO 72 2.250 -9.040 -0.919 573 HG2 PRO 72 HG2 PRO 72 0.619 -9.317 -3.415 574 HG3 PRO 72 HG3 PRO 72 1.802 -8.049 -2.961 575 HD2 PRO 72 HD2 PRO 72 2.440 -10.132 -4.616 576 HD3 PRO 72 HD3 PRO 72 3.620 -9.430 -3.463 577 H LEU 73 HN LEU 73 1.103 -12.162 0.504 578 HA LEU 73 HA LEU 73 -0.909 -13.964 -0.418 579 HB2 LEU 73 HB2 LEU 73 0.510 -14.095 1.635 580 HB3 LEU 73 HB3 LEU 73 -0.441 -12.802 2.337 581 HG LEU 73 HG LEU 73 -0.959 -15.251 2.974 582 HD11 LEU 73 HD11 LEU 73 -3.405 -14.799 3.065 583 HD12 LEU 73 HD12 LEU 73 -3.127 -13.460 1.940 584 HD13 LEU 73 HD13 LEU 73 -2.421 -13.400 3.563 585 HD21 LEU 73 HD21 LEU 73 -2.542 -15.308 0.368 586 HD22 LEU 73 HD22 LEU 73 -2.402 -16.566 1.584 587 HD23 LEU 73 HD23 LEU 73 -0.989 -16.144 0.603 588 H THR 74 HN THR 74 -2.848 -13.564 -1.045 589 HA THR 74 HA THR 74 -3.972 -10.857 -1.075 590 HB THR 74 HB THR 74 -4.502 -11.908 -3.053 591 HG1 THR 74 HG1 THR 74 -6.696 -12.903 -1.614 592 HG21 THR 74 HG21 THR 74 -5.099 -14.481 -1.546 593 HG22 THR 74 HG22 THR 74 -3.802 -14.170 -2.732 594 HG23 THR 74 HG23 THR 74 -5.495 -14.170 -3.255 595 H ILE 75 HN ILE 75 -5.751 -10.134 0.001 596 HA ILE 75 HA ILE 75 -6.791 -11.802 2.231 597 HB ILE 75 HB ILE 75 -6.497 -8.879 2.770 598 HG12 ILE 75 HG12 ILE 75 -4.242 -9.386 3.870 599 HG13 ILE 75 HG13 ILE 75 -4.077 -10.711 2.727 600 HG21 ILE 75 HG21 ILE 75 -6.155 -11.433 4.403 601 HG22 ILE 75 HG22 ILE 75 -6.176 -9.788 5.053 602 HG23 ILE 75 HG23 ILE 75 -7.627 -10.439 4.305 603 HD11 ILE 75 HD11 ILE 75 -4.157 -9.034 0.856 604 HD12 ILE 75 HD12 ILE 75 -4.487 -7.747 2.032 605 HD13 ILE 75 HD13 ILE 75 -2.940 -8.600 2.049 606 H ASP 76 HN ASP 76 -7.922 -11.076 -0.453 607 HA ASP 76 HA ASP 76 -10.559 -11.069 0.431 608 HB2 ASP 76 HB2 ASP 76 -10.046 -8.510 0.661 609 HB3 ASP 76 HB3 ASP 76 -10.124 -8.491 -1.092 610 H GLY 77 HN GLY 77 -8.778 -12.504 -1.301 611 HA2 GLY 77 HA1 GLY 77 -8.588 -13.475 -3.354 612 HA3 GLY 77 HA2 GLY 77 -10.159 -12.806 -3.769 613 H LYS 78 HN LYS 78 -7.695 -10.444 -2.947 614 HA LYS 78 HA LYS 78 -7.071 -9.925 -5.799 615 HB2 LYS 78 HB2 LYS 78 -6.895 -7.510 -4.914 616 HB3 LYS 78 HB3 LYS 78 -8.451 -8.187 -5.304 617 HG2 LYS 78 HG2 LYS 78 -8.691 -6.925 -3.331 618 HG3 LYS 78 HG3 LYS 78 -8.957 -8.580 -2.927 619 HD2 LYS 78 HD2 LYS 78 -6.928 -8.716 -1.695 620 HD3 LYS 78 HD3 LYS 78 -6.294 -7.212 -2.435 621 HE2 LYS 78 HE2 LYS 78 -7.908 -5.887 -1.212 622 HE3 LYS 78 HE3 LYS 78 -8.738 -7.322 -0.639 623 HZ1 LYS 78 HZ1 LYS 78 -6.121 -6.362 0.239 624 HZ2 LYS 78 HZ2 LYS 78 -6.659 -7.894 0.545 625 HZ3 LYS 78 HZ3 LYS 78 -7.508 -6.642 1.112 626 H THR 79 HN THR 79 -4.850 -10.405 -6.161 627 HA THR 79 HA THR 79 -3.059 -10.355 -3.977 628 HB THR 79 HB THR 79 -1.917 -10.037 -6.679 629 HG1 THR 79 HG1 THR 79 -2.688 -11.670 -7.579 630 HG21 THR 79 HG21 THR 79 -1.517 -12.182 -4.572 631 HG22 THR 79 HG22 THR 79 -0.638 -10.646 -4.572 632 HG23 THR 79 HG23 THR 79 -0.431 -11.783 -5.925 633 H ILE 80 HN ILE 80 -1.931 -8.600 -3.098 634 HA ILE 80 HA ILE 80 -2.441 -5.943 -4.078 635 HB ILE 80 HB ILE 80 -0.367 -6.910 -2.065 636 HG12 ILE 80 HG12 ILE 80 -2.450 -7.711 -1.212 637 HG13 ILE 80 HG13 ILE 80 -2.066 -6.258 -0.320 638 HG21 ILE 80 HG21 ILE 80 -0.611 -4.626 -1.079 639 HG22 ILE 80 HG22 ILE 80 0.113 -4.632 -2.679 640 HG23 ILE 80 HG23 ILE 80 -1.584 -4.153 -2.493 641 HD11 ILE 80 HD11 ILE 80 -4.410 -6.207 -0.841 642 HD12 ILE 80 HD12 ILE 80 -3.635 -4.994 -1.883 643 HD13 ILE 80 HD13 ILE 80 -4.115 -6.559 -2.552 644 H ASN 81 HN ASN 81 -1.009 -4.430 -5.100 645 HA ASN 81 HA ASN 81 1.568 -5.472 -6.117 646 HB2 ASN 81 HB2 ASN 81 -0.769 -4.291 -7.619 647 HB3 ASN 81 HB3 ASN 81 0.817 -3.829 -8.088 648 HD21 ASN 81 HD21 ASN 81 -1.379 -6.151 -9.054 649 HD22 ASN 81 HD22 ASN 81 -0.135 -7.253 -9.599 650 H VAL 82 HN VAL 82 2.743 -3.480 -7.189 651 HA VAL 82 HA VAL 82 2.783 -1.358 -5.096 652 HB VAL 82 HB VAL 82 5.336 -2.637 -6.159 653 HG11 VAL 82 HG11 VAL 82 5.511 -0.521 -4.945 654 HG12 VAL 82 HG12 VAL 82 4.617 -1.225 -3.565 655 HG13 VAL 82 HG13 VAL 82 6.227 -1.847 -4.015 656 HG21 VAL 82 HG21 VAL 82 4.169 -4.576 -5.242 657 HG22 VAL 82 HG22 VAL 82 5.417 -4.059 -4.124 658 HG23 VAL 82 HG23 VAL 82 3.720 -3.654 -3.767 659 H GLU 83 HN GLU 83 3.236 0.675 -5.882 660 HA GLU 83 HA GLU 83 4.783 0.909 -8.369 661 HB2 GLU 83 HB2 GLU 83 2.147 2.248 -7.834 662 HB3 GLU 83 HB3 GLU 83 3.437 3.303 -8.386 663 HG2 GLU 83 HG2 GLU 83 3.819 1.840 -10.341 664 HG3 GLU 83 HG3 GLU 83 2.463 0.831 -9.822 665 H PHE 84 HN PHE 84 5.855 2.953 -8.393 666 HA PHE 84 HA PHE 84 6.687 3.914 -5.682 667 HB2 PHE 84 HB2 PHE 84 8.395 2.481 -6.668 668 HB3 PHE 84 HB3 PHE 84 8.362 3.393 -8.168 669 HD1 PHE 84 HD1 PHE 84 8.714 4.282 -4.470 670 HD2 PHE 84 HD2 PHE 84 10.317 4.617 -8.477 671 HE1 PHE 84 HE1 PHE 84 10.674 5.523 -3.599 672 HE2 PHE 84 HE2 PHE 84 12.230 5.906 -7.585 673 HZ PHE 84 HZ PHE 84 12.411 6.360 -5.155 674 H ALA 85 HN ALA 85 5.936 5.939 -5.507 675 HA ALA 85 HA ALA 85 5.451 7.559 -7.979 676 HB1 ALA 85 HB1 ALA 85 3.564 8.525 -6.726 677 HB2 ALA 85 HB2 ALA 85 3.422 6.771 -6.917 678 HB3 ALA 85 HB3 ALA 85 3.930 7.461 -5.347 679 H LYS 86 HN LYS 86 7.968 7.662 -7.065 680 HA LYS 86 HA LYS 86 8.332 9.709 -5.018 681 HB2 LYS 86 HB2 LYS 86 9.971 7.803 -6.119 682 HB3 LYS 86 HB3 LYS 86 10.604 9.267 -6.857 683 HG2 LYS 86 HG2 LYS 86 10.054 8.871 -3.881 684 HG3 LYS 86 HG3 LYS 86 11.632 8.704 -4.653 685 HD2 LYS 86 HD2 LYS 86 11.771 10.781 -3.779 686 HD3 LYS 86 HD3 LYS 86 11.267 11.115 -5.457 687 HE2 LYS 86 HE2 LYS 86 8.954 11.501 -4.575 688 HE3 LYS 86 HE3 LYS 86 9.564 11.305 -2.939 689 HZ1 LYS 86 HZ1 LYS 86 10.595 13.306 -4.882 690 HZ2 LYS 86 HZ2 LYS 86 10.916 13.261 -3.273 691 HZ3 LYS 86 HZ3 LYS 86 9.414 13.638 -3.805 692 H GLY 87 HN GLY 87 7.134 11.393 -5.578 693 HA2 GLY 87 HA1 GLY 87 6.671 12.613 -7.999 694 HA3 GLY 87 HA2 GLY 87 6.753 13.497 -6.466 695 H SER 88 HN SER 88 8.742 14.419 -5.833 696 HA SER 88 HA SER 88 10.553 15.756 -6.149 697 HB2 SER 88 HB2 SER 88 11.383 13.579 -7.993 698 HB3 SER 88 HB3 SER 88 12.411 14.960 -7.623 699 HG SER 88 HG SER 88 12.645 12.967 -6.274 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 4.783 13.083 -5.892 2 HA2 GLY 1 HA1 GLY 1 2.932 13.934 -3.746 3 HA3 GLY 1 HA2 GLY 1 3.072 12.306 -4.439 4 H HIS 2 HN HIS 2 4.141 14.412 -2.003 5 HA HIS 2 HA HIS 2 5.680 14.416 -0.380 6 HB2 HIS 2 HB2 HIS 2 4.109 12.089 -0.259 7 HB3 HIS 2 HB3 HIS 2 5.714 11.504 0.076 8 HD1 HIS 2 HD1 HIS 2 2.804 12.912 1.806 9 HD2 HIS 2 HD2 HIS 2 6.999 13.162 2.216 10 HE1 HIS 2 HE1 HIS 2 3.266 13.786 4.149 11 H MET 3 HN MET 3 7.659 12.898 0.586 12 HA MET 3 HA MET 3 9.558 12.142 -1.565 13 HB2 MET 3 HB2 MET 3 11.267 12.118 0.144 14 HB3 MET 3 HB3 MET 3 10.476 13.697 0.160 15 HG2 MET 3 HG2 MET 3 9.024 12.775 2.069 16 HG3 MET 3 HG3 MET 3 10.144 11.419 2.136 17 HE1 MET 3 HE1 MET 3 10.768 13.443 5.385 18 HE2 MET 3 HE2 MET 3 9.224 13.311 4.510 19 HE3 MET 3 HE3 MET 3 10.281 11.894 4.665 20 H ASP 4 HN ASP 4 9.896 10.004 -1.765 21 HA ASP 4 HA ASP 4 9.469 7.903 -1.890 22 HB2 ASP 4 HB2 ASP 4 9.774 7.804 1.003 23 HB3 ASP 4 HB3 ASP 4 10.303 6.668 -0.216 24 H THR 5 HN THR 5 7.780 7.389 -2.389 25 HA THR 5 HA THR 5 5.486 6.798 -0.614 26 HB THR 5 HB THR 5 4.958 7.863 -3.406 27 HG1 THR 5 HG1 THR 5 5.663 9.267 -1.465 28 HG21 THR 5 HG21 THR 5 3.024 7.372 -1.090 29 HG22 THR 5 HG22 THR 5 3.261 6.240 -2.427 30 HG23 THR 5 HG23 THR 5 2.613 7.851 -2.750 31 H ILE 6 HN ILE 6 5.100 4.687 -0.660 32 HA ILE 6 HA ILE 6 5.590 3.146 -3.144 33 HB ILE 6 HB ILE 6 5.047 2.054 -0.368 34 HG12 ILE 6 HG12 ILE 6 7.594 2.082 -2.001 35 HG13 ILE 6 HG13 ILE 6 7.299 2.993 -0.513 36 HG21 ILE 6 HG21 ILE 6 5.778 0.519 -2.883 37 HG22 ILE 6 HG22 ILE 6 5.299 -0.144 -1.311 38 HG23 ILE 6 HG23 ILE 6 4.112 0.694 -2.297 39 HD11 ILE 6 HD11 ILE 6 7.009 0.823 0.710 40 HD12 ILE 6 HD12 ILE 6 7.552 -0.020 -0.766 41 HD13 ILE 6 HD13 ILE 6 8.636 1.111 0.056 42 H ILE 7 HN ILE 7 3.802 2.973 -4.330 43 HA ILE 7 HA ILE 7 1.170 3.565 -3.078 44 HB ILE 7 HB ILE 7 1.849 3.618 -6.048 45 HG12 ILE 7 HG12 ILE 7 1.067 6.121 -5.579 46 HG13 ILE 7 HG13 ILE 7 1.661 5.770 -3.964 47 HG21 ILE 7 HG21 ILE 7 -0.719 4.279 -4.522 48 HG22 ILE 7 HG22 ILE 7 -0.441 4.620 -6.236 49 HG23 ILE 7 HG23 ILE 7 -0.477 2.952 -5.688 50 HD11 ILE 7 HD11 ILE 7 3.281 6.911 -5.329 51 HD12 ILE 7 HD12 ILE 7 3.913 5.312 -4.919 52 HD13 ILE 7 HD13 ILE 7 3.255 5.616 -6.546 53 H LEU 8 HN LEU 8 -0.397 2.024 -3.226 54 HA LEU 8 HA LEU 8 0.352 -0.665 -4.296 55 HB2 LEU 8 HB2 LEU 8 -1.337 0.132 -1.909 56 HB3 LEU 8 HB3 LEU 8 -1.688 -1.343 -2.810 57 HG LEU 8 HG LEU 8 0.406 -2.342 -2.303 58 HD11 LEU 8 HD11 LEU 8 1.978 -1.299 -0.688 59 HD12 LEU 8 HD12 LEU 8 1.134 0.259 -0.897 60 HD13 LEU 8 HD13 LEU 8 1.972 -0.526 -2.257 61 HD21 LEU 8 HD21 LEU 8 0.046 -2.565 0.117 62 HD22 LEU 8 HD22 LEU 8 -1.510 -2.505 -0.771 63 HD23 LEU 8 HD23 LEU 8 -0.946 -1.107 0.120 64 H ARG 9 HN ARG 9 -1.367 -1.680 -5.385 65 HA ARG 9 HA ARG 9 -3.657 -0.018 -6.269 66 HB2 ARG 9 HB2 ARG 9 -1.907 -1.491 -8.276 67 HB3 ARG 9 HB3 ARG 9 -3.367 -0.670 -8.633 68 HG2 ARG 9 HG2 ARG 9 -2.365 1.496 -8.268 69 HG3 ARG 9 HG3 ARG 9 -0.967 0.792 -7.452 70 HD2 ARG 9 HD2 ARG 9 -0.169 1.339 -9.600 71 HD3 ARG 9 HD3 ARG 9 -0.348 -0.423 -9.538 72 HE ARG 9 HE ARG 9 -1.670 -0.275 -11.360 73 HH11 ARG 9 HH11 ARG 9 -1.902 3.012 -9.844 74 HH12 ARG 9 HH12 ARG 9 -2.960 3.553 -11.113 75 HH21 ARG 9 HH21 ARG 9 -2.766 0.603 -12.988 76 HH22 ARG 9 HH22 ARG 9 -3.147 2.307 -13.070 77 H ASN 10 HN ASN 10 -5.220 -1.507 -7.482 78 HA ASN 10 HA ASN 10 -6.595 -3.201 -7.494 79 HB2 ASN 10 HB2 ASN 10 -4.488 -4.399 -8.273 80 HB3 ASN 10 HB3 ASN 10 -4.374 -5.072 -6.649 81 HD21 ASN 10 HD21 ASN 10 -4.609 -7.157 -7.702 82 HD22 ASN 10 HD22 ASN 10 -6.156 -7.703 -8.333 83 H LEU 11 HN LEU 11 -6.350 -1.621 -4.950 84 HA LEU 11 HA LEU 11 -6.875 -3.473 -2.808 85 HB2 LEU 11 HB2 LEU 11 -7.429 -0.503 -3.197 86 HB3 LEU 11 HB3 LEU 11 -7.680 -1.373 -1.710 87 HG LEU 11 HG LEU 11 -5.655 0.015 -1.854 88 HD11 LEU 11 HD11 LEU 11 -5.741 -1.681 -0.147 89 HD12 LEU 11 HD12 LEU 11 -4.076 -1.615 -0.757 90 HD13 LEU 11 HD13 LEU 11 -5.144 -2.930 -1.270 91 HD21 LEU 11 HD21 LEU 11 -4.896 -0.585 -4.160 92 HD22 LEU 11 HD22 LEU 11 -4.183 -2.051 -3.428 93 HD23 LEU 11 HD23 LEU 11 -3.691 -0.421 -2.893 94 H ASN 12 HN ASN 12 -8.715 -4.616 -2.713 95 HA ASN 12 HA ASN 12 -11.070 -4.102 -4.351 96 HB2 ASN 12 HB2 ASN 12 -10.226 -6.190 -2.377 97 HB3 ASN 12 HB3 ASN 12 -11.905 -5.791 -2.288 98 HD21 ASN 12 HD21 ASN 12 -11.965 -8.231 -2.917 99 HD22 ASN 12 HD22 ASN 12 -11.938 -8.562 -4.613 100 HA PRO 13 HA PRO 13 -13.350 -1.426 -1.793 101 HB2 PRO 13 HB2 PRO 13 -15.936 -2.318 -2.076 102 HB3 PRO 13 HB3 PRO 13 -15.007 -1.586 -3.422 103 HG2 PRO 13 HG2 PRO 13 -15.385 -4.521 -2.751 104 HG3 PRO 13 HG3 PRO 13 -15.642 -3.726 -4.333 105 HD2 PRO 13 HD2 PRO 13 -13.383 -4.989 -3.812 106 HD3 PRO 13 HD3 PRO 13 -13.342 -3.440 -4.690 107 H HIS 14 HN HIS 14 -13.848 -4.878 -1.139 108 HA HIS 14 HA HIS 14 -15.105 -4.552 1.416 109 HB2 HIS 14 HB2 HIS 14 -14.138 -6.807 -0.250 110 HB3 HIS 14 HB3 HIS 14 -14.025 -7.105 1.467 111 HD1 HIS 14 HD1 HIS 14 -16.015 -8.709 1.860 112 HD2 HIS 14 HD2 HIS 14 -16.960 -5.270 -0.377 113 HE1 HIS 14 HE1 HIS 14 -18.547 -8.672 1.631 114 H SER 15 HN SER 15 -11.745 -4.178 0.620 115 HA SER 15 HA SER 15 -10.924 -4.572 3.446 116 HB2 SER 15 HB2 SER 15 -9.389 -3.736 0.944 117 HB3 SER 15 HB3 SER 15 -8.723 -3.938 2.565 118 HG SER 15 HG SER 15 -9.923 -6.199 2.078 119 H THR 16 HN THR 16 -9.745 -2.676 4.396 120 HA THR 16 HA THR 16 -10.503 -0.012 3.356 121 HB THR 16 HB THR 16 -12.198 -0.464 4.904 122 HG1 THR 16 HG1 THR 16 -12.017 1.357 5.598 123 HG21 THR 16 HG21 THR 16 -11.339 -2.301 6.248 124 HG22 THR 16 HG22 THR 16 -11.907 -1.006 7.279 125 HG23 THR 16 HG23 THR 16 -10.157 -1.215 7.037 126 H MET 17 HN MET 17 -8.444 -1.961 5.527 127 HA MET 17 HA MET 17 -6.100 -1.025 4.375 128 HB2 MET 17 HB2 MET 17 -6.657 0.977 5.827 129 HB3 MET 17 HB3 MET 17 -6.418 0.013 7.247 130 HG2 MET 17 HG2 MET 17 -4.111 -0.340 6.734 131 HG3 MET 17 HG3 MET 17 -4.316 0.189 5.066 132 HE1 MET 17 HE1 MET 17 -4.634 3.303 8.500 133 HE2 MET 17 HE2 MET 17 -5.937 2.165 8.154 134 HE3 MET 17 HE3 MET 17 -4.404 1.569 8.839 135 H ASP 18 HN ASP 18 -7.265 -1.768 7.642 136 HA ASP 18 HA ASP 18 -5.171 -3.012 8.689 137 HB2 ASP 18 HB2 ASP 18 -7.196 -2.317 9.869 138 HB3 ASP 18 HB3 ASP 18 -8.118 -3.628 9.129 139 H SER 19 HN SER 19 -7.367 -4.528 6.476 140 HA SER 19 HA SER 19 -6.576 -7.333 6.999 141 HB2 SER 19 HB2 SER 19 -7.996 -5.942 4.696 142 HB3 SER 19 HB3 SER 19 -7.572 -7.658 4.656 143 HG SER 19 HG SER 19 -8.985 -6.604 6.871 144 H ILE 20 HN ILE 20 -5.767 -4.916 4.484 145 HA ILE 20 HA ILE 20 -3.713 -6.427 3.151 146 HB ILE 20 HB ILE 20 -4.035 -3.412 3.354 147 HG12 ILE 20 HG12 ILE 20 -5.056 -4.450 0.834 148 HG13 ILE 20 HG13 ILE 20 -5.916 -5.246 2.124 149 HG21 ILE 20 HG21 ILE 20 -2.906 -3.364 1.168 150 HG22 ILE 20 HG22 ILE 20 -1.889 -4.102 2.409 151 HG23 ILE 20 HG23 ILE 20 -2.707 -5.134 1.222 152 HD11 ILE 20 HD11 ILE 20 -6.956 -3.076 1.383 153 HD12 ILE 20 HD12 ILE 20 -6.597 -3.154 3.121 154 HD13 ILE 20 HD13 ILE 20 -5.545 -2.223 2.040 155 H LEU 21 HN LEU 21 -3.816 -4.073 5.823 156 HA LEU 21 HA LEU 21 -1.052 -3.745 5.861 157 HB2 LEU 21 HB2 LEU 21 -3.257 -2.478 7.004 158 HB3 LEU 21 HB3 LEU 21 -2.666 -3.339 8.411 159 HG LEU 21 HG LEU 21 -0.456 -2.162 8.095 160 HD11 LEU 21 HD11 LEU 21 -0.693 0.004 6.702 161 HD12 LEU 21 HD12 LEU 21 -1.993 -0.836 5.839 162 HD13 LEU 21 HD13 LEU 21 -0.332 -1.491 5.841 163 HD21 LEU 21 HD21 LEU 21 -2.049 -1.375 9.734 164 HD22 LEU 21 HD22 LEU 21 -2.939 -0.443 8.508 165 HD23 LEU 21 HD23 LEU 21 -1.282 0.005 8.963 166 H GLY 22 HN GLY 22 -2.855 -6.278 7.304 167 HA2 GLY 22 HA1 GLY 22 -0.469 -7.089 8.943 168 HA3 GLY 22 HA2 GLY 22 -2.114 -7.650 9.203 169 H ALA 23 HN ALA 23 -2.365 -7.938 6.067 170 HA ALA 23 HA ALA 23 -1.378 -10.714 6.009 171 HB1 ALA 23 HB1 ALA 23 -2.543 -10.765 3.823 172 HB2 ALA 23 HB2 ALA 23 -3.629 -10.162 5.085 173 HB3 ALA 23 HB3 ALA 23 -2.858 -9.023 3.970 174 H LEU 24 HN LEU 24 -0.852 -7.526 4.356 175 HA LEU 24 HA LEU 24 1.030 -8.722 2.467 176 HB2 LEU 24 HB2 LEU 24 -0.799 -6.872 2.097 177 HB3 LEU 24 HB3 LEU 24 0.343 -5.810 2.906 178 HG LEU 24 HG LEU 24 2.042 -6.757 1.045 179 HD11 LEU 24 HD11 LEU 24 0.939 -7.363 -1.037 180 HD12 LEU 24 HD12 LEU 24 -0.662 -7.279 -0.262 181 HD13 LEU 24 HD13 LEU 24 0.502 -8.516 0.232 182 HD21 LEU 24 HD21 LEU 24 1.311 -4.426 1.162 183 HD22 LEU 24 HD22 LEU 24 -0.222 -4.851 0.367 184 HD23 LEU 24 HD23 LEU 24 1.324 -4.984 -0.514 185 H ALA 25 HN ALA 25 1.572 -8.620 5.472 186 HA ALA 25 HA ALA 25 3.930 -6.785 5.590 187 HB1 ALA 25 HB1 ALA 25 1.975 -7.618 7.731 188 HB2 ALA 25 HB2 ALA 25 3.357 -6.511 7.875 189 HB3 ALA 25 HB3 ALA 25 1.994 -6.074 6.834 190 HA PRO 26 HA PRO 26 5.495 -11.052 6.861 191 HB2 PRO 26 HB2 PRO 26 7.063 -11.686 4.669 192 HB3 PRO 26 HB3 PRO 26 5.428 -12.311 4.992 193 HG2 PRO 26 HG2 PRO 26 6.217 -10.106 3.099 194 HG3 PRO 26 HG3 PRO 26 4.957 -11.348 2.915 195 HD2 PRO 26 HD2 PRO 26 4.508 -8.716 3.715 196 HD3 PRO 26 HD3 PRO 26 3.443 -10.097 4.117 197 H TYR 27 HN TYR 27 6.674 -8.144 5.282 198 HA TYR 27 HA TYR 27 9.147 -8.208 6.954 199 HB2 TYR 27 HB2 TYR 27 8.987 -7.008 4.177 200 HB3 TYR 27 HB3 TYR 27 10.415 -7.242 5.172 201 HD1 TYR 27 HD1 TYR 27 8.001 -8.804 2.933 202 HD2 TYR 27 HD2 TYR 27 11.400 -9.547 5.452 203 HE1 TYR 27 HE1 TYR 27 8.163 -11.086 2.007 204 HE2 TYR 27 HE2 TYR 27 11.618 -11.817 4.518 205 HH TYR 27 HH TYR 27 10.936 -13.000 2.422 206 H ALA 28 HN ALA 28 6.383 -6.297 5.890 207 HA ALA 28 HA ALA 28 7.239 -4.135 7.662 208 HB1 ALA 28 HB1 ALA 28 6.687 -3.726 4.712 209 HB2 ALA 28 HB2 ALA 28 6.525 -2.439 5.927 210 HB3 ALA 28 HB3 ALA 28 8.096 -3.229 5.679 211 H VAL 29 HN VAL 29 5.682 -4.284 9.040 212 HA VAL 29 HA VAL 29 2.821 -4.176 8.319 213 HB VAL 29 HB VAL 29 4.185 -4.018 11.050 214 HG11 VAL 29 HG11 VAL 29 1.972 -2.911 10.967 215 HG12 VAL 29 HG12 VAL 29 1.248 -4.388 10.298 216 HG13 VAL 29 HG13 VAL 29 1.915 -4.378 11.948 217 HG21 VAL 29 HG21 VAL 29 3.498 -6.245 11.533 218 HG22 VAL 29 HG22 VAL 29 2.665 -6.415 9.987 219 HG23 VAL 29 HG23 VAL 29 4.446 -6.311 10.055 220 H LEU 30 HN LEU 30 2.516 -2.048 7.442 221 HA LEU 30 HA LEU 30 4.060 0.212 8.549 222 HB2 LEU 30 HB2 LEU 30 1.546 0.146 6.840 223 HB3 LEU 30 HB3 LEU 30 2.457 1.575 7.303 224 HG LEU 30 HG LEU 30 3.044 1.257 5.165 225 HD11 LEU 30 HD11 LEU 30 5.428 0.718 5.109 226 HD12 LEU 30 HD12 LEU 30 5.295 -0.153 6.640 227 HD13 LEU 30 HD13 LEU 30 5.016 1.602 6.596 228 HD21 LEU 30 HD21 LEU 30 2.109 -1.006 4.832 229 HD22 LEU 30 HD22 LEU 30 3.646 -1.676 5.425 230 HD23 LEU 30 HD23 LEU 30 3.635 -0.648 3.974 231 H SER 31 HN SER 31 3.104 1.912 9.779 232 HA SER 31 HA SER 31 0.865 1.122 11.518 233 HB2 SER 31 HB2 SER 31 2.498 3.695 11.430 234 HB3 SER 31 HB3 SER 31 1.430 3.143 12.735 235 HG SER 31 HG SER 31 2.800 1.296 12.950 236 H SER 32 HN SER 32 -1.057 2.443 11.662 237 HA SER 32 HA SER 32 -2.269 2.780 9.180 238 HB2 SER 32 HB2 SER 32 -4.163 3.769 10.614 239 HB3 SER 32 HB3 SER 32 -3.554 2.155 11.000 240 HG SER 32 HG SER 32 -2.925 4.542 12.407 241 H SER 33 HN SER 33 -0.632 5.163 11.089 242 HA SER 33 HA SER 33 -1.726 7.483 9.772 243 HB2 SER 33 HB2 SER 33 -0.129 7.375 11.860 244 HB3 SER 33 HB3 SER 33 1.156 7.449 10.630 245 HG SER 33 HG SER 33 0.662 9.494 10.237 246 H ASN 34 HN ASN 34 1.188 5.465 9.116 247 HA ASN 34 HA ASN 34 2.222 6.919 6.988 248 HB2 ASN 34 HB2 ASN 34 2.414 3.932 7.588 249 HB3 ASN 34 HB3 ASN 34 3.452 4.793 6.476 250 HD21 ASN 34 HD21 ASN 34 5.362 5.660 7.349 251 HD22 ASN 34 HD22 ASN 34 5.565 5.832 9.109 252 H VAL 35 HN VAL 35 -0.565 4.865 6.986 253 HA VAL 35 HA VAL 35 -0.406 4.526 4.050 254 HB VAL 35 HB VAL 35 -1.562 2.635 6.113 255 HG11 VAL 35 HG11 VAL 35 -1.257 2.448 3.055 256 HG12 VAL 35 HG12 VAL 35 -1.791 1.121 4.114 257 HG13 VAL 35 HG13 VAL 35 -2.805 2.552 3.914 258 HG21 VAL 35 HG21 VAL 35 0.968 2.709 4.430 259 HG22 VAL 35 HG22 VAL 35 0.800 2.540 6.183 260 HG23 VAL 35 HG23 VAL 35 0.335 1.208 5.115 261 H ARG 36 HN ARG 36 -1.438 6.184 3.290 262 HA ARG 36 HA ARG 36 -4.145 6.882 4.269 263 HB2 ARG 36 HB2 ARG 36 -2.132 8.282 2.805 264 HB3 ARG 36 HB3 ARG 36 -3.504 8.128 1.714 265 HG2 ARG 36 HG2 ARG 36 -3.644 9.192 4.564 266 HG3 ARG 36 HG3 ARG 36 -3.523 10.195 3.125 267 HD2 ARG 36 HD2 ARG 36 -5.721 10.207 2.876 268 HD3 ARG 36 HD3 ARG 36 -5.750 8.460 2.660 269 HE ARG 36 HE ARG 36 -5.667 8.580 5.339 270 HH11 ARG 36 HH11 ARG 36 -7.662 10.729 3.251 271 HH12 ARG 36 HH12 ARG 36 -8.810 10.973 4.511 272 HH21 ARG 36 HH21 ARG 36 -7.175 9.062 6.930 273 HH22 ARG 36 HH22 ARG 36 -8.457 10.202 6.609 274 H VAL 37 HN VAL 37 -5.749 5.492 3.753 275 HA VAL 37 HA VAL 37 -5.954 4.657 0.904 276 HB VAL 37 HB VAL 37 -7.544 3.358 3.128 277 HG11 VAL 37 HG11 VAL 37 -6.940 2.507 0.257 278 HG12 VAL 37 HG12 VAL 37 -7.947 1.630 1.433 279 HG13 VAL 37 HG13 VAL 37 -8.468 3.204 0.842 280 HG21 VAL 37 HG21 VAL 37 -5.218 2.769 3.639 281 HG22 VAL 37 HG22 VAL 37 -6.036 1.376 2.921 282 HG23 VAL 37 HG23 VAL 37 -4.929 2.350 1.953 283 H ILE 38 HN ILE 38 -6.962 6.418 0.081 284 HA ILE 38 HA ILE 38 -8.913 7.992 1.607 285 HB ILE 38 HB ILE 38 -8.453 7.952 -1.385 286 HG12 ILE 38 HG12 ILE 38 -7.001 9.721 0.633 287 HG13 ILE 38 HG13 ILE 38 -6.275 8.440 -0.334 288 HG21 ILE 38 HG21 ILE 38 -9.556 10.146 0.424 289 HG22 ILE 38 HG22 ILE 38 -9.465 10.168 -1.349 290 HG23 ILE 38 HG23 ILE 38 -10.550 9.052 -0.565 291 HD11 ILE 38 HD11 ILE 38 -7.232 11.131 -1.240 292 HD12 ILE 38 HD12 ILE 38 -5.697 10.324 -1.552 293 HD13 ILE 38 HD13 ILE 38 -7.177 9.803 -2.407 294 H LYS 39 HN LYS 39 -11.130 7.648 1.511 295 HA LYS 39 HA LYS 39 -12.157 5.507 -0.246 296 HB2 LYS 39 HB2 LYS 39 -13.231 5.802 2.538 297 HB3 LYS 39 HB3 LYS 39 -13.339 4.452 1.423 298 HG2 LYS 39 HG2 LYS 39 -11.858 3.436 2.749 299 HG3 LYS 39 HG3 LYS 39 -10.620 4.429 1.997 300 HD2 LYS 39 HD2 LYS 39 -10.865 6.103 3.824 301 HD3 LYS 39 HD3 LYS 39 -12.248 5.194 4.468 302 HE2 LYS 39 HE2 LYS 39 -10.698 3.217 4.795 303 HE3 LYS 39 HE3 LYS 39 -9.346 4.295 4.410 304 HZ1 LYS 39 HZ1 LYS 39 -9.791 4.111 6.812 305 HZ2 LYS 39 HZ2 LYS 39 -11.298 4.758 6.588 306 HZ3 LYS 39 HZ3 LYS 39 -9.990 5.672 6.287 307 H ASP 40 HN ASP 40 -14.490 5.670 -0.602 308 HA ASP 40 HA ASP 40 -15.158 8.312 -1.308 309 HB2 ASP 40 HB2 ASP 40 -15.905 5.992 -2.261 310 HB3 ASP 40 HB3 ASP 40 -17.187 6.082 -1.037 311 H LYS 41 HN LYS 41 -17.784 8.830 -0.785 312 HA LYS 41 HA LYS 41 -18.056 9.097 2.179 313 HB2 LYS 41 HB2 LYS 41 -19.301 10.937 0.077 314 HB3 LYS 41 HB3 LYS 41 -19.285 11.131 1.812 315 HG2 LYS 41 HG2 LYS 41 -17.741 12.664 1.142 316 HG3 LYS 41 HG3 LYS 41 -16.708 11.344 1.635 317 HD2 LYS 41 HD2 LYS 41 -15.880 11.036 -0.485 318 HD3 LYS 41 HD3 LYS 41 -17.445 11.267 -1.251 319 HE2 LYS 41 HE2 LYS 41 -15.785 12.948 -1.942 320 HE3 LYS 41 HE3 LYS 41 -17.232 13.665 -1.234 321 HZ1 LYS 41 HZ1 LYS 41 -14.844 13.199 0.398 322 HZ2 LYS 41 HZ2 LYS 41 -16.116 14.251 0.640 323 HZ3 LYS 41 HZ3 LYS 41 -14.996 14.556 -0.527 324 H GLN 42 HN GLN 42 -19.647 8.431 -0.942 325 HA GLN 42 HA GLN 42 -22.198 7.906 0.474 326 HB2 GLN 42 HB2 GLN 42 -21.551 8.575 -2.319 327 HB3 GLN 42 HB3 GLN 42 -23.116 7.902 -1.846 328 HG2 GLN 42 HG2 GLN 42 -23.429 9.805 -0.258 329 HG3 GLN 42 HG3 GLN 42 -21.902 10.512 -0.830 330 HE21 GLN 42 HE21 GLN 42 -23.193 12.488 -1.567 331 HE22 GLN 42 HE22 GLN 42 -24.098 12.317 -3.039 332 H THR 43 HN THR 43 -19.754 6.444 -1.743 333 HA THR 43 HA THR 43 -21.356 3.977 -1.852 334 HB THR 43 HB THR 43 -19.598 3.079 -3.209 335 HG1 THR 43 HG1 THR 43 -17.765 4.168 -3.663 336 HG21 THR 43 HG21 THR 43 -19.699 4.649 -5.086 337 HG22 THR 43 HG22 THR 43 -20.022 6.016 -3.998 338 HG23 THR 43 HG23 THR 43 -21.235 4.747 -4.216 339 H GLN 44 HN GLN 44 -18.952 5.329 0.164 340 HA GLN 44 HA GLN 44 -17.778 4.711 1.943 341 HB2 GLN 44 HB2 GLN 44 -19.951 2.626 2.224 342 HB3 GLN 44 HB3 GLN 44 -18.696 2.857 3.423 343 HG2 GLN 44 HG2 GLN 44 -20.511 5.134 2.545 344 HG3 GLN 44 HG3 GLN 44 -20.933 4.000 3.827 345 HE21 GLN 44 HE21 GLN 44 -20.057 7.079 3.686 346 HE22 GLN 44 HE22 GLN 44 -19.217 7.068 5.229 347 H LEU 45 HN LEU 45 -16.634 3.874 -0.523 348 HA LEU 45 HA LEU 45 -15.170 1.448 0.418 349 HB2 LEU 45 HB2 LEU 45 -15.873 1.963 -2.470 350 HB3 LEU 45 HB3 LEU 45 -15.111 0.514 -1.800 351 HG LEU 45 HG LEU 45 -17.948 1.325 -1.056 352 HD11 LEU 45 HD11 LEU 45 -17.021 -0.254 -3.426 353 HD12 LEU 45 HD12 LEU 45 -17.876 1.309 -3.355 354 HD13 LEU 45 HD13 LEU 45 -18.706 -0.160 -2.836 355 HD21 LEU 45 HD21 LEU 45 -17.735 -0.378 0.383 356 HD22 LEU 45 HD22 LEU 45 -16.202 -0.884 -0.287 357 HD23 LEU 45 HD23 LEU 45 -17.700 -1.445 -1.037 358 H ASN 46 HN ASN 46 -13.048 1.301 -0.464 359 HA ASN 46 HA ASN 46 -11.481 3.588 -0.500 360 HB2 ASN 46 HB2 ASN 46 -10.647 1.093 -2.001 361 HB3 ASN 46 HB3 ASN 46 -9.619 2.291 -1.240 362 HD21 ASN 46 HD21 ASN 46 -10.359 -0.842 -0.832 363 HD22 ASN 46 HD22 ASN 46 -10.623 -0.806 0.863 364 H ARG 47 HN ARG 47 -10.149 4.542 -2.221 365 HA ARG 47 HA ARG 47 -11.513 4.880 -4.792 366 HB2 ARG 47 HB2 ARG 47 -8.767 5.729 -3.852 367 HB3 ARG 47 HB3 ARG 47 -9.407 6.170 -5.419 368 HG2 ARG 47 HG2 ARG 47 -11.055 6.873 -2.973 369 HG3 ARG 47 HG3 ARG 47 -9.561 7.752 -3.288 370 HD2 ARG 47 HD2 ARG 47 -11.863 8.669 -4.087 371 HD3 ARG 47 HD3 ARG 47 -10.331 8.960 -4.934 372 HE ARG 47 HE ARG 47 -11.842 6.638 -5.908 373 HH11 ARG 47 HH11 ARG 47 -11.459 10.213 -6.347 374 HH12 ARG 47 HH12 ARG 47 -12.141 10.173 -7.912 375 HH21 ARG 47 HH21 ARG 47 -12.633 6.649 -7.962 376 HH22 ARG 47 HH22 ARG 47 -12.800 8.106 -8.907 377 H GLY 48 HN GLY 48 -9.514 2.356 -3.590 378 HA2 GLY 48 HA1 GLY 48 -9.122 0.442 -4.878 379 HA3 GLY 48 HA2 GLY 48 -9.116 1.375 -6.363 380 H PHE 49 HN PHE 49 -7.092 3.263 -4.614 381 HA PHE 49 HA PHE 49 -4.761 1.474 -4.608 382 HB2 PHE 49 HB2 PHE 49 -3.347 3.372 -5.480 383 HB3 PHE 49 HB3 PHE 49 -4.319 2.484 -6.634 384 HD1 PHE 49 HD1 PHE 49 -4.419 5.611 -4.517 385 HD2 PHE 49 HD2 PHE 49 -5.536 3.698 -8.228 386 HE1 PHE 49 HE1 PHE 49 -5.442 7.723 -5.321 387 HE2 PHE 49 HE2 PHE 49 -6.569 5.825 -8.996 388 HZ PHE 49 HZ PHE 49 -6.609 7.809 -7.455 389 H ALA 50 HN ALA 50 -2.960 2.486 -3.260 390 HA ALA 50 HA ALA 50 -3.988 4.103 -0.999 391 HB1 ALA 50 HB1 ALA 50 -4.682 1.841 -0.420 392 HB2 ALA 50 HB2 ALA 50 -3.076 1.202 -0.816 393 HB3 ALA 50 HB3 ALA 50 -3.271 2.291 0.564 394 H PHE 51 HN PHE 51 -2.258 4.740 0.460 395 HA PHE 51 HA PHE 51 0.272 5.134 -1.067 396 HB2 PHE 51 HB2 PHE 51 -1.499 7.028 0.547 397 HB3 PHE 51 HB3 PHE 51 0.031 7.469 -0.169 398 HD1 PHE 51 HD1 PHE 51 0.219 6.772 -2.762 399 HD2 PHE 51 HD2 PHE 51 -3.392 7.771 -0.652 400 HE1 PHE 51 HE1 PHE 51 -0.842 7.367 -4.897 401 HE2 PHE 51 HE2 PHE 51 -4.443 8.470 -2.780 402 HZ PHE 51 HZ PHE 51 -3.172 8.275 -4.923 403 H ILE 52 HN ILE 52 1.819 3.969 0.123 404 HA ILE 52 HA ILE 52 1.968 4.219 3.049 405 HB ILE 52 HB ILE 52 3.843 2.964 1.040 406 HG12 ILE 52 HG12 ILE 52 2.026 1.403 2.900 407 HG13 ILE 52 HG13 ILE 52 1.549 1.842 1.262 408 HG21 ILE 52 HG21 ILE 52 3.863 3.051 4.063 409 HG22 ILE 52 HG22 ILE 52 4.652 1.722 3.207 410 HG23 ILE 52 HG23 ILE 52 5.172 3.388 2.906 411 HD11 ILE 52 HD11 ILE 52 3.320 0.584 0.270 412 HD12 ILE 52 HD12 ILE 52 4.041 0.204 1.837 413 HD13 ILE 52 HD13 ILE 52 2.454 -0.451 1.425 414 H GLN 53 HN GLN 53 3.351 5.708 4.028 415 HA GLN 53 HA GLN 53 5.375 7.201 2.415 416 HB2 GLN 53 HB2 GLN 53 3.526 8.146 4.663 417 HB3 GLN 53 HB3 GLN 53 5.096 8.869 4.379 418 HG2 GLN 53 HG2 GLN 53 3.692 10.305 3.270 419 HG3 GLN 53 HG3 GLN 53 4.338 9.323 1.962 420 HE21 GLN 53 HE21 GLN 53 2.884 7.486 1.228 421 HE22 GLN 53 HE22 GLN 53 1.183 7.528 1.605 422 H LEU 54 HN LEU 54 7.369 6.598 3.078 423 HA LEU 54 HA LEU 54 7.788 5.673 5.866 424 HB2 LEU 54 HB2 LEU 54 8.622 4.317 3.286 425 HB3 LEU 54 HB3 LEU 54 9.622 4.153 4.722 426 HG LEU 54 HG LEU 54 6.711 3.293 4.532 427 HD11 LEU 54 HD11 LEU 54 8.196 1.926 3.117 428 HD12 LEU 54 HD12 LEU 54 7.700 0.997 4.533 429 HD13 LEU 54 HD13 LEU 54 9.326 1.708 4.472 430 HD21 LEU 54 HD21 LEU 54 7.246 3.811 6.856 431 HD22 LEU 54 HD22 LEU 54 8.793 2.945 6.708 432 HD23 LEU 54 HD23 LEU 54 7.273 2.058 6.663 433 H SER 55 HN SER 55 10.190 5.760 6.356 434 HA SER 55 HA SER 55 11.175 8.392 5.817 435 HB2 SER 55 HB2 SER 55 11.519 6.918 7.882 436 HB3 SER 55 HB3 SER 55 12.624 5.954 6.874 437 HG SER 55 HG SER 55 12.843 8.685 7.627 438 H THR 56 HN THR 56 13.456 8.727 4.935 439 HA THR 56 HA THR 56 13.299 8.392 2.232 440 HB THR 56 HB THR 56 15.633 9.294 2.198 441 HG1 THR 56 HG1 THR 56 16.863 9.236 3.902 442 HG21 THR 56 HG21 THR 56 13.968 10.632 4.389 443 HG22 THR 56 HG22 THR 56 13.621 10.787 2.654 444 HG23 THR 56 HG23 THR 56 15.163 11.378 3.305 445 H ILE 57 HN ILE 57 15.901 6.839 4.138 446 HA ILE 57 HA ILE 57 16.553 5.025 2.011 447 HB ILE 57 HB ILE 57 17.334 4.940 4.905 448 HG12 ILE 57 HG12 ILE 57 18.060 7.029 3.967 449 HG13 ILE 57 HG13 ILE 57 19.414 5.929 4.032 450 HG21 ILE 57 HG21 ILE 57 17.718 2.795 3.973 451 HG22 ILE 57 HG22 ILE 57 18.451 3.460 2.494 452 HG23 ILE 57 HG23 ILE 57 19.263 3.610 4.074 453 HD11 ILE 57 HD11 ILE 57 19.197 5.501 1.577 454 HD12 ILE 57 HD12 ILE 57 17.896 6.718 1.524 455 HD13 ILE 57 HD13 ILE 57 19.533 7.190 1.983 456 H GLU 58 HN GLU 58 14.486 4.768 4.878 457 HA GLU 58 HA GLU 58 14.176 2.021 5.024 458 HB2 GLU 58 HB2 GLU 58 12.089 4.106 5.694 459 HB3 GLU 58 HB3 GLU 58 12.143 2.440 6.288 460 HG2 GLU 58 HG2 GLU 58 14.272 4.568 6.784 461 HG3 GLU 58 HG3 GLU 58 13.048 4.090 7.922 462 H ALA 59 HN ALA 59 12.150 4.365 3.295 463 HA ALA 59 HA ALA 59 10.247 2.674 2.125 464 HB1 ALA 59 HB1 ALA 59 11.549 5.165 0.905 465 HB2 ALA 59 HB2 ALA 59 9.958 4.493 0.494 466 HB3 ALA 59 HB3 ALA 59 10.241 5.215 2.084 467 H ALA 60 HN ALA 60 13.391 3.756 0.790 468 HA ALA 60 HA ALA 60 13.140 2.294 -1.663 469 HB1 ALA 60 HB1 ALA 60 15.524 2.822 -1.967 470 HB2 ALA 60 HB2 ALA 60 14.631 4.247 -1.398 471 HB3 ALA 60 HB3 ALA 60 15.650 3.328 -0.266 472 H GLN 61 HN GLN 61 14.752 1.527 1.452 473 HA GLN 61 HA GLN 61 15.985 -0.901 0.617 474 HB2 GLN 61 HB2 GLN 61 15.059 0.125 3.351 475 HB3 GLN 61 HB3 GLN 61 15.813 -1.458 3.140 476 HG2 GLN 61 HG2 GLN 61 17.767 -0.354 2.048 477 HG3 GLN 61 HG3 GLN 61 17.101 1.209 2.473 478 HE21 GLN 61 HE21 GLN 61 16.311 1.049 5.179 479 HE22 GLN 61 HE22 GLN 61 17.586 0.476 6.148 480 H LEU 62 HN LEU 62 12.904 -0.370 2.370 481 HA LEU 62 HA LEU 62 12.129 -3.044 2.539 482 HB2 LEU 62 HB2 LEU 62 11.122 -1.234 3.807 483 HB3 LEU 62 HB3 LEU 62 10.463 -0.493 2.358 484 HG LEU 62 HG LEU 62 8.915 -1.793 3.892 485 HD11 LEU 62 HD11 LEU 62 8.835 -2.449 0.943 486 HD12 LEU 62 HD12 LEU 62 8.094 -1.087 1.800 487 HD13 LEU 62 HD13 LEU 62 7.537 -2.731 2.113 488 HD21 LEU 62 HD21 LEU 62 8.731 -4.227 3.604 489 HD22 LEU 62 HD22 LEU 62 10.289 -3.762 4.306 490 HD23 LEU 62 HD23 LEU 62 10.182 -4.244 2.608 491 H LEU 63 HN LEU 63 11.332 -0.630 0.026 492 HA LEU 63 HA LEU 63 9.627 -2.143 -1.547 493 HB2 LEU 63 HB2 LEU 63 10.095 0.249 -1.831 494 HB3 LEU 63 HB3 LEU 63 11.733 -0.108 -2.362 495 HG LEU 63 HG LEU 63 10.212 -1.598 -4.157 496 HD11 LEU 63 HD11 LEU 63 8.127 -0.571 -3.241 497 HD12 LEU 63 HD12 LEU 63 8.386 -0.233 -4.955 498 HD13 LEU 63 HD13 LEU 63 8.724 1.024 -3.754 499 HD21 LEU 63 HD21 LEU 63 11.259 1.253 -4.394 500 HD22 LEU 63 HD22 LEU 63 10.770 0.231 -5.763 501 HD23 LEU 63 HD23 LEU 63 12.130 -0.246 -4.756 502 H GLN 64 HN GLN 64 13.230 -1.932 -1.879 503 HA GLN 64 HA GLN 64 13.312 -3.589 -4.179 504 HB2 GLN 64 HB2 GLN 64 15.371 -2.800 -2.073 505 HB3 GLN 64 HB3 GLN 64 15.815 -3.825 -3.430 506 HG2 GLN 64 HG2 GLN 64 15.323 -2.172 -4.902 507 HG3 GLN 64 HG3 GLN 64 14.484 -1.114 -3.777 508 HE21 GLN 64 HE21 GLN 64 15.704 0.014 -2.232 509 HE22 GLN 64 HE22 GLN 64 17.396 0.448 -2.539 510 H ILE 65 HN ILE 65 13.032 -4.478 -0.823 511 HA ILE 65 HA ILE 65 13.988 -7.229 -1.084 512 HB ILE 65 HB ILE 65 12.173 -5.991 1.016 513 HG12 ILE 65 HG12 ILE 65 15.150 -6.572 1.320 514 HG13 ILE 65 HG13 ILE 65 14.559 -5.018 0.780 515 HG21 ILE 65 HG21 ILE 65 13.606 -8.671 0.960 516 HG22 ILE 65 HG22 ILE 65 13.027 -7.923 2.459 517 HG23 ILE 65 HG23 ILE 65 11.874 -8.309 1.214 518 HD11 ILE 65 HD11 ILE 65 14.804 -4.685 3.070 519 HD12 ILE 65 HD12 ILE 65 13.074 -4.997 2.911 520 HD13 ILE 65 HD13 ILE 65 14.157 -6.280 3.491 521 H LEU 66 HN LEU 66 10.675 -5.799 -0.848 522 HA LEU 66 HA LEU 66 9.290 -8.161 -1.571 523 HB2 LEU 66 HB2 LEU 66 8.500 -5.237 -1.885 524 HB3 LEU 66 HB3 LEU 66 7.431 -6.578 -2.218 525 HG LEU 66 HG LEU 66 6.835 -5.747 -0.135 526 HD11 LEU 66 HD11 LEU 66 6.914 -7.587 1.333 527 HD12 LEU 66 HD12 LEU 66 8.441 -8.194 0.640 528 HD13 LEU 66 HD13 LEU 66 6.940 -8.284 -0.303 529 HD21 LEU 66 HD21 LEU 66 9.614 -6.134 0.983 530 HD22 LEU 66 HD22 LEU 66 8.172 -5.477 1.780 531 HD23 LEU 66 HD23 LEU 66 8.913 -4.596 0.433 532 H GLN 67 HN GLN 67 11.004 -5.917 -3.625 533 HA GLN 67 HA GLN 67 9.687 -6.783 -6.106 534 HB2 GLN 67 HB2 GLN 67 12.007 -4.924 -5.460 535 HB3 GLN 67 HB3 GLN 67 11.472 -5.277 -7.109 536 HG2 GLN 67 HG2 GLN 67 9.189 -4.554 -6.528 537 HG3 GLN 67 HG3 GLN 67 9.730 -4.032 -4.949 538 HE21 GLN 67 HE21 GLN 67 8.552 -2.284 -6.787 539 HE22 GLN 67 HE22 GLN 67 9.722 -1.121 -7.350 540 H ALA 68 HN ALA 68 11.508 -8.532 -4.261 541 HA ALA 68 HA ALA 68 13.011 -9.788 -6.531 542 HB1 ALA 68 HB1 ALA 68 14.495 -8.488 -5.075 543 HB2 ALA 68 HB2 ALA 68 13.984 -9.435 -3.661 544 HB3 ALA 68 HB3 ALA 68 14.853 -10.221 -5.001 545 H LEU 69 HN LEU 69 11.607 -10.293 -3.302 546 HA LEU 69 HA LEU 69 11.629 -13.185 -3.509 547 HB2 LEU 69 HB2 LEU 69 10.574 -13.119 -1.309 548 HB3 LEU 69 HB3 LEU 69 11.980 -12.101 -1.426 549 HG LEU 69 HG LEU 69 10.002 -10.257 -2.008 550 HD11 LEU 69 HD11 LEU 69 8.147 -11.808 -1.524 551 HD12 LEU 69 HD12 LEU 69 8.229 -10.513 -0.343 552 HD13 LEU 69 HD13 LEU 69 8.828 -12.150 0.071 553 HD21 LEU 69 HD21 LEU 69 11.841 -10.027 -0.386 554 HD22 LEU 69 HD22 LEU 69 10.990 -11.064 0.754 555 HD23 LEU 69 HD23 LEU 69 10.290 -9.495 0.293 556 H HIS 70 HN HIS 70 9.230 -13.916 -2.440 557 HA HIS 70 HA HIS 70 7.715 -14.587 -4.680 558 HB2 HIS 70 HB2 HIS 70 7.367 -14.704 -1.683 559 HB3 HIS 70 HB3 HIS 70 5.956 -15.001 -2.674 560 HD1 HIS 70 HD1 HIS 70 5.603 -17.505 -2.946 561 HD2 HIS 70 HD2 HIS 70 9.670 -16.354 -3.019 562 HE1 HIS 70 HE1 HIS 70 6.942 -19.590 -3.467 563 HA PRO 71 HA PRO 71 5.049 -11.288 -5.602 564 HB2 PRO 71 HB2 PRO 71 2.618 -12.473 -6.227 565 HB3 PRO 71 HB3 PRO 71 4.079 -12.573 -7.252 566 HG2 PRO 71 HG2 PRO 71 3.108 -14.590 -5.202 567 HG3 PRO 71 HG3 PRO 71 3.617 -14.891 -6.899 568 HD2 PRO 71 HD2 PRO 71 5.346 -15.277 -4.877 569 HD3 PRO 71 HD3 PRO 71 5.898 -14.463 -6.374 570 HA PRO 72 HA PRO 72 2.901 -9.868 -2.124 571 HB2 PRO 72 HB2 PRO 72 0.760 -8.371 -3.145 572 HB3 PRO 72 HB3 PRO 72 2.458 -7.833 -3.000 573 HG2 PRO 72 HG2 PRO 72 1.030 -8.994 -5.382 574 HG3 PRO 72 HG3 PRO 72 2.195 -7.621 -5.332 575 HD2 PRO 72 HD2 PRO 72 2.903 -10.103 -6.149 576 HD3 PRO 72 HD3 PRO 72 4.023 -9.096 -5.191 577 H LEU 73 HN LEU 73 1.387 -10.355 -0.656 578 HA LEU 73 HA LEU 73 -0.190 -12.719 -1.102 579 HB2 LEU 73 HB2 LEU 73 1.262 -11.679 0.978 580 HB3 LEU 73 HB3 LEU 73 -0.346 -11.202 1.494 581 HG LEU 73 HG LEU 73 0.460 -14.038 0.687 582 HD11 LEU 73 HD11 LEU 73 0.639 -14.566 3.044 583 HD12 LEU 73 HD12 LEU 73 0.211 -12.898 3.499 584 HD13 LEU 73 HD13 LEU 73 1.742 -13.244 2.667 585 HD21 LEU 73 HD21 LEU 73 -1.584 -14.695 1.945 586 HD22 LEU 73 HD22 LEU 73 -1.950 -13.704 0.538 587 HD23 LEU 73 HD23 LEU 73 -1.989 -12.975 2.160 588 H THR 74 HN THR 74 -2.242 -12.634 -1.898 589 HA THR 74 HA THR 74 -3.785 -10.151 -1.799 590 HB THR 74 HB THR 74 -4.057 -11.536 -3.744 591 HG1 THR 74 HG1 THR 74 -5.693 -10.357 -3.379 592 HG21 THR 74 HG21 THR 74 -5.456 -13.531 -3.731 593 HG22 THR 74 HG22 THR 74 -5.253 -13.671 -1.969 594 HG23 THR 74 HG23 THR 74 -3.833 -13.790 -3.064 595 H ILE 75 HN ILE 75 -5.909 -10.055 -0.866 596 HA ILE 75 HA ILE 75 -6.322 -11.562 1.636 597 HB ILE 75 HB ILE 75 -6.748 -8.587 1.814 598 HG12 ILE 75 HG12 ILE 75 -4.422 -8.324 2.739 599 HG13 ILE 75 HG13 ILE 75 -3.916 -9.692 1.767 600 HG21 ILE 75 HG21 ILE 75 -7.283 -10.162 3.623 601 HG22 ILE 75 HG22 ILE 75 -5.622 -10.768 3.634 602 HG23 ILE 75 HG23 ILE 75 -5.965 -9.109 4.145 603 HD11 ILE 75 HD11 ILE 75 -5.093 -7.025 0.800 604 HD12 ILE 75 HD12 ILE 75 -3.388 -7.506 0.768 605 HD13 ILE 75 HD13 ILE 75 -4.556 -8.332 -0.271 606 H ASP 76 HN ASP 76 -7.614 -11.295 -1.099 607 HA ASP 76 HA ASP 76 -10.224 -11.816 -0.541 608 HB2 ASP 76 HB2 ASP 76 -10.344 -9.276 0.105 609 HB3 ASP 76 HB3 ASP 76 -10.245 -8.969 -1.608 610 H GLY 77 HN GLY 77 -8.319 -12.823 -2.269 611 HA2 GLY 77 HA1 GLY 77 -7.926 -13.512 -4.383 612 HA3 GLY 77 HA2 GLY 77 -9.513 -12.877 -4.809 613 H LYS 78 HN LYS 78 -8.036 -10.057 -3.884 614 HA LYS 78 HA LYS 78 -7.262 -9.422 -6.671 615 HB2 LYS 78 HB2 LYS 78 -6.964 -7.132 -5.490 616 HB3 LYS 78 HB3 LYS 78 -8.539 -7.716 -5.956 617 HG2 LYS 78 HG2 LYS 78 -8.623 -6.606 -3.878 618 HG3 LYS 78 HG3 LYS 78 -9.095 -8.283 -3.645 619 HD2 LYS 78 HD2 LYS 78 -7.082 -8.762 -2.383 620 HD3 LYS 78 HD3 LYS 78 -6.327 -7.305 -3.055 621 HE2 LYS 78 HE2 LYS 78 -6.730 -6.535 -0.979 622 HE3 LYS 78 HE3 LYS 78 -8.127 -6.014 -1.944 623 HZ1 LYS 78 HZ1 LYS 78 -9.513 -7.514 -0.825 624 HZ2 LYS 78 HZ2 LYS 78 -8.659 -6.794 0.313 625 HZ3 LYS 78 HZ3 LYS 78 -8.277 -8.328 -0.115 626 H THR 79 HN THR 79 -5.060 -10.065 -7.182 627 HA THR 79 HA THR 79 -3.169 -10.084 -5.027 628 HB THR 79 HB THR 79 -2.004 -9.764 -7.705 629 HG1 THR 79 HG1 THR 79 -3.293 -11.054 -8.647 630 HG21 THR 79 HG21 THR 79 -1.826 -11.957 -5.593 631 HG22 THR 79 HG22 THR 79 -0.823 -10.482 -5.627 632 HG23 THR 79 HG23 THR 79 -0.695 -11.634 -6.951 633 H ILE 80 HN ILE 80 -2.424 -8.312 -4.001 634 HA ILE 80 HA ILE 80 -2.846 -5.666 -4.942 635 HB ILE 80 HB ILE 80 -1.012 -6.727 -2.771 636 HG12 ILE 80 HG12 ILE 80 -3.329 -7.401 -2.340 637 HG13 ILE 80 HG13 ILE 80 -2.782 -6.206 -1.191 638 HG21 ILE 80 HG21 ILE 80 -1.982 -3.872 -3.205 639 HG22 ILE 80 HG22 ILE 80 -1.354 -4.492 -1.682 640 HG23 ILE 80 HG23 ILE 80 -0.303 -4.481 -3.081 641 HD11 ILE 80 HD11 ILE 80 -4.017 -4.409 -2.486 642 HD12 ILE 80 HD12 ILE 80 -4.641 -5.686 -3.531 643 HD13 ILE 80 HD13 ILE 80 -5.051 -5.674 -1.808 644 H ASN 81 HN ASN 81 -0.964 -4.087 -5.130 645 HA ASN 81 HA ASN 81 1.102 -5.054 -7.070 646 HB2 ASN 81 HB2 ASN 81 -1.123 -3.088 -7.300 647 HB3 ASN 81 HB3 ASN 81 0.420 -2.491 -7.884 648 HD21 ASN 81 HD21 ASN 81 -1.136 -5.738 -8.044 649 HD22 ASN 81 HD22 ASN 81 -1.034 -5.852 -9.789 650 H VAL 82 HN VAL 82 2.896 -3.417 -7.190 651 HA VAL 82 HA VAL 82 3.140 -1.744 -4.749 652 HB VAL 82 HB VAL 82 5.402 -3.518 -5.801 653 HG11 VAL 82 HG11 VAL 82 6.122 -1.462 -4.648 654 HG12 VAL 82 HG12 VAL 82 5.130 -1.901 -3.237 655 HG13 VAL 82 HG13 VAL 82 6.519 -2.899 -3.708 656 HG21 VAL 82 HG21 VAL 82 3.609 -3.974 -3.366 657 HG22 VAL 82 HG22 VAL 82 3.744 -5.036 -4.785 658 HG23 VAL 82 HG23 VAL 82 5.118 -4.849 -3.695 659 H GLU 83 HN GLU 83 4.187 0.220 -5.251 660 HA GLU 83 HA GLU 83 5.351 0.610 -7.943 661 HB2 GLU 83 HB2 GLU 83 2.851 1.755 -6.817 662 HB3 GLU 83 HB3 GLU 83 3.923 2.975 -7.414 663 HG2 GLU 83 HG2 GLU 83 3.451 0.613 -9.236 664 HG3 GLU 83 HG3 GLU 83 2.054 1.706 -8.930 665 H PHE 84 HN PHE 84 6.372 2.683 -7.999 666 HA PHE 84 HA PHE 84 7.476 3.604 -5.395 667 HB2 PHE 84 HB2 PHE 84 8.855 1.700 -6.262 668 HB3 PHE 84 HB3 PHE 84 9.156 2.587 -7.733 669 HD1 PHE 84 HD1 PHE 84 9.216 3.927 -4.201 670 HD2 PHE 84 HD2 PHE 84 11.551 2.682 -7.606 671 HE1 PHE 84 HE1 PHE 84 11.268 4.832 -3.135 672 HE2 PHE 84 HE2 PHE 84 13.601 3.492 -6.486 673 HZ PHE 84 HZ PHE 84 13.452 4.569 -4.241 674 H ALA 85 HN ALA 85 6.887 5.733 -5.495 675 HA ALA 85 HA ALA 85 7.529 7.243 -8.008 676 HB1 ALA 85 HB1 ALA 85 5.091 6.778 -7.836 677 HB2 ALA 85 HB2 ALA 85 5.083 7.637 -6.278 678 HB3 ALA 85 HB3 ALA 85 5.501 8.506 -7.768 679 H LYS 86 HN LYS 86 9.490 7.304 -6.652 680 HA LYS 86 HA LYS 86 9.753 9.002 -4.371 681 HB2 LYS 86 HB2 LYS 86 11.145 6.953 -5.411 682 HB3 LYS 86 HB3 LYS 86 12.027 8.235 -6.211 683 HG2 LYS 86 HG2 LYS 86 11.590 7.863 -3.220 684 HG3 LYS 86 HG3 LYS 86 13.068 7.537 -4.144 685 HD2 LYS 86 HD2 LYS 86 13.170 9.966 -4.724 686 HD3 LYS 86 HD3 LYS 86 11.837 10.271 -3.564 687 HE2 LYS 86 HE2 LYS 86 13.149 9.585 -1.748 688 HE3 LYS 86 HE3 LYS 86 14.374 8.816 -2.763 689 HZ1 LYS 86 HZ1 LYS 86 14.949 10.998 -1.784 690 HZ2 LYS 86 HZ2 LYS 86 13.886 11.733 -2.794 691 HZ3 LYS 86 HZ3 LYS 86 15.143 10.920 -3.444 692 H GLY 87 HN GLY 87 8.333 10.502 -6.332 693 HA2 GLY 87 HA1 GLY 87 8.328 12.737 -6.972 694 HA3 GLY 87 HA2 GLY 87 9.915 12.886 -6.242 695 H SER 88 HN SER 88 10.640 10.610 -8.265 696 HA SER 88 HA SER 88 11.461 12.180 -10.573 697 HB2 SER 88 HB2 SER 88 12.970 10.621 -9.628 698 HB3 SER 88 HB3 SER 88 11.750 9.370 -9.650 699 HG SER 88 HG SER 88 12.396 10.568 -12.116 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 5.240 13.847 4.752 2 HA2 GLY 1 HA1 GLY 1 5.728 11.785 3.380 3 HA3 GLY 1 HA2 GLY 1 4.031 12.313 3.407 4 H HIS 2 HN HIS 2 7.017 12.219 1.488 5 HA HIS 2 HA HIS 2 5.557 12.129 -1.002 6 HB2 HIS 2 HB2 HIS 2 6.339 14.733 -0.051 7 HB3 HIS 2 HB3 HIS 2 7.486 14.307 -1.292 8 HD1 HIS 2 HD1 HIS 2 6.683 15.044 -3.672 9 HD2 HIS 2 HD2 HIS 2 3.564 14.249 -0.933 10 HE1 HIS 2 HE1 HIS 2 4.528 15.826 -4.761 11 H MET 3 HN MET 3 8.746 12.726 0.624 12 HA MET 3 HA MET 3 10.317 11.663 -1.526 13 HB2 MET 3 HB2 MET 3 10.996 11.787 1.442 14 HB3 MET 3 HB3 MET 3 12.088 11.431 0.108 15 HG2 MET 3 HG2 MET 3 12.610 13.591 0.337 16 HG3 MET 3 HG3 MET 3 11.248 13.806 -0.768 17 HE1 MET 3 HE1 MET 3 12.607 15.979 1.243 18 HE2 MET 3 HE2 MET 3 11.821 16.142 2.832 19 HE3 MET 3 HE3 MET 3 12.875 14.746 2.504 20 H ASP 4 HN ASP 4 10.252 9.700 -2.190 21 HA ASP 4 HA ASP 4 10.152 7.487 -2.438 22 HB2 ASP 4 HB2 ASP 4 11.237 7.391 0.377 23 HB3 ASP 4 HB3 ASP 4 11.209 6.073 -0.815 24 H THR 5 HN THR 5 8.059 7.192 -2.854 25 HA THR 5 HA THR 5 6.179 6.669 -0.606 26 HB THR 5 HB THR 5 5.583 8.034 -3.241 27 HG1 THR 5 HG1 THR 5 6.462 9.627 -2.071 28 HG21 THR 5 HG21 THR 5 3.837 7.417 -0.830 29 HG22 THR 5 HG22 THR 5 3.653 6.774 -2.472 30 HG23 THR 5 HG23 THR 5 3.387 8.491 -2.176 31 H ILE 6 HN ILE 6 5.319 4.697 -0.691 32 HA ILE 6 HA ILE 6 5.442 3.152 -3.213 33 HB ILE 6 HB ILE 6 4.546 2.161 -0.490 34 HG12 ILE 6 HG12 ILE 6 7.221 1.959 -1.873 35 HG13 ILE 6 HG13 ILE 6 6.855 2.738 -0.324 36 HG21 ILE 6 HG21 ILE 6 5.060 0.718 -3.099 37 HG22 ILE 6 HG22 ILE 6 4.709 -0.075 -1.543 38 HG23 ILE 6 HG23 ILE 6 3.499 0.942 -2.296 39 HD11 ILE 6 HD11 ILE 6 6.891 -0.220 -0.887 40 HD12 ILE 6 HD12 ILE 6 7.958 0.730 0.150 41 HD13 ILE 6 HD13 ILE 6 6.253 0.505 0.616 42 H ILE 7 HN ILE 7 3.651 2.930 -4.352 43 HA ILE 7 HA ILE 7 1.020 3.592 -3.168 44 HB ILE 7 HB ILE 7 1.777 3.910 -6.103 45 HG12 ILE 7 HG12 ILE 7 0.955 6.380 -5.357 46 HG13 ILE 7 HG13 ILE 7 1.591 5.834 -3.811 47 HG21 ILE 7 HG21 ILE 7 -0.483 4.950 -6.322 48 HG22 ILE 7 HG22 ILE 7 -0.549 3.237 -5.939 49 HG23 ILE 7 HG23 ILE 7 -0.833 4.433 -4.654 50 HD11 ILE 7 HD11 ILE 7 3.814 5.455 -4.910 51 HD12 ILE 7 HD12 ILE 7 3.097 5.972 -6.447 52 HD13 ILE 7 HD13 ILE 7 3.205 7.105 -5.074 53 H LEU 8 HN LEU 8 -0.634 2.113 -3.804 54 HA LEU 8 HA LEU 8 0.320 -0.516 -4.818 55 HB2 LEU 8 HB2 LEU 8 -1.745 0.034 -2.652 56 HB3 LEU 8 HB3 LEU 8 -1.333 -1.553 -3.306 57 HG LEU 8 HG LEU 8 0.453 0.232 -1.603 58 HD11 LEU 8 HD11 LEU 8 -1.399 -0.821 -0.418 59 HD12 LEU 8 HD12 LEU 8 0.108 -1.671 0.010 60 HD13 LEU 8 HD13 LEU 8 -1.036 -2.378 -1.150 61 HD21 LEU 8 HD21 LEU 8 2.017 -1.684 -1.524 62 HD22 LEU 8 HD22 LEU 8 1.883 -1.051 -3.160 63 HD23 LEU 8 HD23 LEU 8 1.045 -2.549 -2.729 64 H ARG 9 HN ARG 9 -1.470 -1.776 -5.767 65 HA ARG 9 HA ARG 9 -3.853 -0.214 -6.592 66 HB2 ARG 9 HB2 ARG 9 -2.625 -1.927 -8.743 67 HB3 ARG 9 HB3 ARG 9 -3.737 -0.726 -8.865 68 HG2 ARG 9 HG2 ARG 9 -1.828 0.923 -8.162 69 HG3 ARG 9 HG3 ARG 9 -0.749 -0.422 -8.509 70 HD2 ARG 9 HD2 ARG 9 -1.810 -0.644 -10.758 71 HD3 ARG 9 HD3 ARG 9 -2.760 0.814 -10.460 72 HE ARG 9 HE ARG 9 0.020 0.513 -11.220 73 HH11 ARG 9 HH11 ARG 9 -2.038 2.795 -9.499 74 HH12 ARG 9 HH12 ARG 9 -1.257 4.228 -10.089 75 HH21 ARG 9 HH21 ARG 9 1.063 2.401 -12.104 76 HH22 ARG 9 HH22 ARG 9 0.565 3.968 -11.638 77 H ASN 10 HN ASN 10 -5.590 -1.628 -7.373 78 HA ASN 10 HA ASN 10 -6.905 -3.402 -7.478 79 HB2 ASN 10 HB2 ASN 10 -4.935 -4.517 -8.521 80 HB3 ASN 10 HB3 ASN 10 -4.522 -5.194 -6.932 81 HD21 ASN 10 HD21 ASN 10 -4.752 -7.268 -7.885 82 HD22 ASN 10 HD22 ASN 10 -6.311 -7.936 -8.368 83 H LEU 11 HN LEU 11 -6.772 -1.912 -5.077 84 HA LEU 11 HA LEU 11 -6.997 -3.763 -2.843 85 HB2 LEU 11 HB2 LEU 11 -7.535 -0.789 -3.230 86 HB3 LEU 11 HB3 LEU 11 -7.617 -1.622 -1.701 87 HG LEU 11 HG LEU 11 -5.631 -0.241 -2.129 88 HD11 LEU 11 HD11 LEU 11 -5.514 -1.865 -0.367 89 HD12 LEU 11 HD12 LEU 11 -3.944 -1.929 -1.203 90 HD13 LEU 11 HD13 LEU 11 -5.163 -3.180 -1.512 91 HD21 LEU 11 HD21 LEU 11 -4.398 -2.347 -3.827 92 HD22 LEU 11 HD22 LEU 11 -3.768 -0.761 -3.364 93 HD23 LEU 11 HD23 LEU 11 -5.141 -0.856 -4.473 94 H ASN 12 HN ASN 12 -8.792 -5.107 -3.415 95 HA ASN 12 HA ASN 12 -11.305 -4.484 -4.439 96 HB2 ASN 12 HB2 ASN 12 -10.361 -6.501 -2.439 97 HB3 ASN 12 HB3 ASN 12 -12.007 -6.099 -2.273 98 HD21 ASN 12 HD21 ASN 12 -12.198 -8.363 -2.673 99 HD22 ASN 12 HD22 ASN 12 -12.408 -8.950 -4.279 100 HA PRO 13 HA PRO 13 -13.363 -1.606 -1.979 101 HB2 PRO 13 HB2 PRO 13 -15.957 -2.596 -1.812 102 HB3 PRO 13 HB3 PRO 13 -15.223 -1.828 -3.248 103 HG2 PRO 13 HG2 PRO 13 -15.480 -4.777 -2.647 104 HG3 PRO 13 HG3 PRO 13 -15.849 -3.919 -4.181 105 HD2 PRO 13 HD2 PRO 13 -13.543 -5.189 -3.877 106 HD3 PRO 13 HD3 PRO 13 -13.591 -3.589 -4.681 107 H HIS 14 HN HIS 14 -14.118 -4.944 -0.811 108 HA HIS 14 HA HIS 14 -14.616 -3.922 1.873 109 HB2 HIS 14 HB2 HIS 14 -14.525 -6.724 0.678 110 HB3 HIS 14 HB3 HIS 14 -14.949 -6.378 2.356 111 HD1 HIS 14 HD1 HIS 14 -17.250 -5.103 2.862 112 HD2 HIS 14 HD2 HIS 14 -16.469 -6.133 -1.149 113 HE1 HIS 14 HE1 HIS 14 -19.458 -4.869 1.608 114 H SER 15 HN SER 15 -11.725 -4.047 0.508 115 HA SER 15 HA SER 15 -10.264 -5.899 2.081 116 HB2 SER 15 HB2 SER 15 -9.654 -4.994 -0.191 117 HB3 SER 15 HB3 SER 15 -9.099 -3.514 0.616 118 HG SER 15 HG SER 15 -7.909 -5.045 2.011 119 H THR 16 HN THR 16 -11.277 -2.690 2.951 120 HA THR 16 HA THR 16 -10.707 -1.237 4.511 121 HB THR 16 HB THR 16 -9.502 -3.089 6.434 122 HG1 THR 16 HG1 THR 16 -12.130 -3.775 5.669 123 HG21 THR 16 HG21 THR 16 -10.612 -0.965 7.040 124 HG22 THR 16 HG22 THR 16 -11.421 -2.345 7.800 125 HG23 THR 16 HG23 THR 16 -12.134 -1.564 6.369 126 H MET 17 HN MET 17 -8.655 -1.101 6.473 127 HA MET 17 HA MET 17 -6.183 -0.901 4.827 128 HB2 MET 17 HB2 MET 17 -7.075 1.362 5.462 129 HB3 MET 17 HB3 MET 17 -6.915 0.929 7.156 130 HG2 MET 17 HG2 MET 17 -4.501 0.532 6.875 131 HG3 MET 17 HG3 MET 17 -4.630 0.812 5.150 132 HE1 MET 17 HE1 MET 17 -4.591 2.221 8.694 133 HE2 MET 17 HE2 MET 17 -4.699 3.983 8.488 134 HE3 MET 17 HE3 MET 17 -6.139 2.984 8.252 135 H ASP 18 HN ASP 18 -7.321 -0.912 8.285 136 HA ASP 18 HA ASP 18 -4.972 -1.928 9.299 137 HB2 ASP 18 HB2 ASP 18 -7.001 -0.916 10.497 138 HB3 ASP 18 HB3 ASP 18 -7.647 -2.561 10.536 139 H SER 19 HN SER 19 -7.620 -3.627 7.878 140 HA SER 19 HA SER 19 -7.090 -6.339 8.385 141 HB2 SER 19 HB2 SER 19 -9.066 -5.483 7.272 142 HB3 SER 19 HB3 SER 19 -8.089 -4.907 5.914 143 HG SER 19 HG SER 19 -9.276 -6.972 5.790 144 H ILE 20 HN ILE 20 -5.931 -4.415 5.581 145 HA ILE 20 HA ILE 20 -4.078 -6.309 4.600 146 HB ILE 20 HB ILE 20 -4.078 -3.290 4.229 147 HG12 ILE 20 HG12 ILE 20 -5.366 -5.400 2.424 148 HG13 ILE 20 HG13 ILE 20 -6.266 -4.409 3.592 149 HG21 ILE 20 HG21 ILE 20 -2.919 -5.439 2.395 150 HG22 ILE 20 HG22 ILE 20 -2.819 -3.675 2.173 151 HG23 ILE 20 HG23 ILE 20 -1.960 -4.432 3.491 152 HD11 ILE 20 HD11 ILE 20 -6.506 -3.271 1.528 153 HD12 ILE 20 HD12 ILE 20 -5.330 -2.338 2.456 154 HD13 ILE 20 HD13 ILE 20 -4.781 -3.427 1.156 155 H LEU 21 HN LEU 21 -3.681 -3.523 6.869 156 HA LEU 21 HA LEU 21 -0.839 -3.655 7.091 157 HB2 LEU 21 HB2 LEU 21 -3.001 -2.826 9.048 158 HB3 LEU 21 HB3 LEU 21 -1.309 -2.762 9.479 159 HG LEU 21 HG LEU 21 -2.349 -1.362 6.978 160 HD11 LEU 21 HD11 LEU 21 -2.121 -0.128 9.751 161 HD12 LEU 21 HD12 LEU 21 -3.619 -0.405 8.848 162 HD13 LEU 21 HD13 LEU 21 -2.433 0.736 8.226 163 HD21 LEU 21 HD21 LEU 21 0.043 -1.555 6.966 164 HD22 LEU 21 HD22 LEU 21 0.155 -1.144 8.696 165 HD23 LEU 21 HD23 LEU 21 -0.293 0.089 7.524 166 H GLY 22 HN GLY 22 -3.374 -5.482 8.803 167 HA2 GLY 22 HA1 GLY 22 -1.406 -7.002 10.328 168 HA3 GLY 22 HA2 GLY 22 -3.161 -7.162 10.381 169 H ALA 23 HN ALA 23 -1.977 -7.363 7.178 170 HA ALA 23 HA ALA 23 -1.724 -10.353 7.264 171 HB1 ALA 23 HB1 ALA 23 -4.003 -9.803 6.629 172 HB2 ALA 23 HB2 ALA 23 -3.425 -8.662 5.400 173 HB3 ALA 23 HB3 ALA 23 -3.120 -10.408 5.213 174 H LEU 24 HN LEU 24 -1.046 -7.347 5.514 175 HA LEU 24 HA LEU 24 0.824 -8.632 3.637 176 HB2 LEU 24 HB2 LEU 24 -1.052 -6.894 3.057 177 HB3 LEU 24 HB3 LEU 24 0.023 -5.717 3.796 178 HG LEU 24 HG LEU 24 1.798 -6.871 2.087 179 HD11 LEU 24 HD11 LEU 24 0.825 -7.510 0.004 180 HD12 LEU 24 HD12 LEU 24 -0.806 -7.072 0.542 181 HD13 LEU 24 HD13 LEU 24 0.031 -8.466 1.269 182 HD21 LEU 24 HD21 LEU 24 1.253 -4.485 2.189 183 HD22 LEU 24 HD22 LEU 24 -0.245 -4.763 1.269 184 HD23 LEU 24 HD23 LEU 24 1.337 -5.061 0.501 185 H ALA 25 HN ALA 25 1.564 -8.507 6.503 186 HA ALA 25 HA ALA 25 4.047 -6.899 6.181 187 HB1 ALA 25 HB1 ALA 25 2.739 -5.483 7.554 188 HB2 ALA 25 HB2 ALA 25 2.273 -6.825 8.625 189 HB3 ALA 25 HB3 ALA 25 3.944 -6.320 8.564 190 HA PRO 26 HA PRO 26 4.716 -11.255 7.695 191 HB2 PRO 26 HB2 PRO 26 5.871 -12.425 5.486 192 HB3 PRO 26 HB3 PRO 26 4.116 -12.406 5.834 193 HG2 PRO 26 HG2 PRO 26 5.638 -10.570 3.991 194 HG3 PRO 26 HG3 PRO 26 4.104 -11.426 3.676 195 HD2 PRO 26 HD2 PRO 26 4.209 -8.813 4.496 196 HD3 PRO 26 HD3 PRO 26 2.898 -9.935 4.987 197 H TYR 27 HN TYR 27 6.653 -9.055 5.648 198 HA TYR 27 HA TYR 27 9.135 -10.000 6.983 199 HB2 TYR 27 HB2 TYR 27 8.763 -8.291 4.495 200 HB3 TYR 27 HB3 TYR 27 10.289 -8.878 5.125 201 HD1 TYR 27 HD1 TYR 27 10.755 -11.384 5.201 202 HD2 TYR 27 HD2 TYR 27 7.454 -9.665 3.027 203 HE1 TYR 27 HE1 TYR 27 10.567 -13.460 3.836 204 HE2 TYR 27 HE2 TYR 27 7.191 -11.740 1.740 205 HH TYR 27 HH TYR 27 8.025 -13.875 1.321 206 H ALA 28 HN ALA 28 7.084 -7.113 6.751 207 HA ALA 28 HA ALA 28 8.842 -5.553 8.533 208 HB1 ALA 28 HB1 ALA 28 8.739 -3.687 6.811 209 HB2 ALA 28 HB2 ALA 28 9.676 -5.093 6.238 210 HB3 ALA 28 HB3 ALA 28 8.025 -4.852 5.670 211 H VAL 29 HN VAL 29 7.482 -4.225 9.846 212 HA VAL 29 HA VAL 29 4.606 -4.559 9.279 213 HB VAL 29 HB VAL 29 5.993 -4.276 11.956 214 HG11 VAL 29 HG11 VAL 29 3.874 -5.180 12.827 215 HG12 VAL 29 HG12 VAL 29 3.600 -3.685 11.926 216 HG13 VAL 29 HG13 VAL 29 3.202 -5.245 11.184 217 HG21 VAL 29 HG21 VAL 29 6.754 -6.379 10.871 218 HG22 VAL 29 HG22 VAL 29 5.633 -6.710 12.194 219 HG23 VAL 29 HG23 VAL 29 5.064 -6.803 10.512 220 H LEU 30 HN LEU 30 4.031 -2.852 8.207 221 HA LEU 30 HA LEU 30 4.669 -0.126 8.742 222 HB2 LEU 30 HB2 LEU 30 2.240 -1.366 7.421 223 HB3 LEU 30 HB3 LEU 30 2.671 0.333 7.273 224 HG LEU 30 HG LEU 30 4.303 -1.999 6.217 225 HD11 LEU 30 HD11 LEU 30 2.071 -1.668 5.141 226 HD12 LEU 30 HD12 LEU 30 3.428 -1.389 4.042 227 HD13 LEU 30 HD13 LEU 30 2.534 -0.008 4.730 228 HD21 LEU 30 HD21 LEU 30 5.526 -0.241 4.935 229 HD22 LEU 30 HD22 LEU 30 5.743 -0.065 6.685 230 HD23 LEU 30 HD23 LEU 30 4.632 1.016 5.825 231 H SER 31 HN SER 31 2.959 1.566 9.200 232 HA SER 31 HA SER 31 0.987 0.775 11.278 233 HB2 SER 31 HB2 SER 31 2.909 3.112 11.320 234 HB3 SER 31 HB3 SER 31 1.642 2.782 12.528 235 HG SER 31 HG SER 31 2.890 1.456 13.468 236 H SER 32 HN SER 32 -0.678 2.531 11.635 237 HA SER 32 HA SER 32 -1.985 2.727 9.137 238 HB2 SER 32 HB2 SER 32 -3.850 3.618 10.587 239 HB3 SER 32 HB3 SER 32 -3.118 2.086 11.111 240 HG SER 32 HG SER 32 -2.453 2.925 12.836 241 H SER 33 HN SER 33 -0.332 5.220 10.962 242 HA SER 33 HA SER 33 -1.584 7.430 9.536 243 HB2 SER 33 HB2 SER 33 -0.294 7.721 11.689 244 HB3 SER 33 HB3 SER 33 1.201 7.417 10.785 245 HG SER 33 HG SER 33 0.870 9.304 9.609 246 H ASN 34 HN ASN 34 1.154 5.234 8.948 247 HA ASN 34 HA ASN 34 2.363 6.773 6.856 248 HB2 ASN 34 HB2 ASN 34 2.489 3.805 7.505 249 HB3 ASN 34 HB3 ASN 34 3.468 4.606 6.298 250 HD21 ASN 34 HD21 ASN 34 5.351 5.522 6.955 251 HD22 ASN 34 HD22 ASN 34 5.876 5.592 8.632 252 H VAL 35 HN VAL 35 -0.175 4.252 6.950 253 HA VAL 35 HA VAL 35 -0.245 4.109 4.049 254 HB VAL 35 HB VAL 35 -1.749 2.542 6.171 255 HG11 VAL 35 HG11 VAL 35 -2.924 2.473 3.951 256 HG12 VAL 35 HG12 VAL 35 -1.402 1.995 3.167 257 HG13 VAL 35 HG13 VAL 35 -2.193 0.922 4.343 258 HG21 VAL 35 HG21 VAL 35 -0.098 0.734 5.379 259 HG22 VAL 35 HG22 VAL 35 0.803 2.029 4.585 260 HG23 VAL 35 HG23 VAL 35 0.602 2.040 6.342 261 H ARG 36 HN ARG 36 -1.949 4.710 2.725 262 HA ARG 36 HA ARG 36 -4.103 6.387 3.925 263 HB2 ARG 36 HB2 ARG 36 -1.841 7.303 2.627 264 HB3 ARG 36 HB3 ARG 36 -3.004 7.327 1.331 265 HG2 ARG 36 HG2 ARG 36 -3.762 8.484 4.041 266 HG3 ARG 36 HG3 ARG 36 -2.669 9.366 3.003 267 HD2 ARG 36 HD2 ARG 36 -5.149 8.347 1.693 268 HD3 ARG 36 HD3 ARG 36 -5.390 9.597 2.897 269 HE ARG 36 HE ARG 36 -4.084 9.948 0.287 270 HH11 ARG 36 HH11 ARG 36 -4.822 11.458 3.463 271 HH12 ARG 36 HH12 ARG 36 -4.219 12.999 2.935 272 HH21 ARG 36 HH21 ARG 36 -3.356 11.990 -0.298 273 HH22 ARG 36 HH22 ARG 36 -3.459 13.328 0.803 274 H VAL 37 HN VAL 37 -5.676 4.915 3.784 275 HA VAL 37 HA VAL 37 -6.574 3.949 1.152 276 HB VAL 37 HB VAL 37 -7.403 3.155 3.957 277 HG11 VAL 37 HG11 VAL 37 -8.702 1.354 2.888 278 HG12 VAL 37 HG12 VAL 37 -9.298 2.906 2.310 279 HG13 VAL 37 HG13 VAL 37 -8.241 1.948 1.281 280 HG21 VAL 37 HG21 VAL 37 -5.215 2.228 3.362 281 HG22 VAL 37 HG22 VAL 37 -6.431 0.944 3.261 282 HG23 VAL 37 HG23 VAL 37 -5.831 1.702 1.786 283 H ILE 38 HN ILE 38 -7.164 5.959 0.363 284 HA ILE 38 HA ILE 38 -8.946 7.860 1.568 285 HB ILE 38 HB ILE 38 -8.450 7.174 -1.375 286 HG12 ILE 38 HG12 ILE 38 -6.967 9.127 0.432 287 HG13 ILE 38 HG13 ILE 38 -6.304 7.687 -0.342 288 HG21 ILE 38 HG21 ILE 38 -9.297 9.358 -1.904 289 HG22 ILE 38 HG22 ILE 38 -10.486 8.620 -0.860 290 HG23 ILE 38 HG23 ILE 38 -9.364 9.827 -0.202 291 HD11 ILE 38 HD11 ILE 38 -6.897 8.808 -2.594 292 HD12 ILE 38 HD12 ILE 38 -7.089 10.294 -1.640 293 HD13 ILE 38 HD13 ILE 38 -5.527 9.469 -1.657 294 H LYS 39 HN LYS 39 -11.207 7.434 2.035 295 HA LYS 39 HA LYS 39 -12.493 5.225 0.645 296 HB2 LYS 39 HB2 LYS 39 -13.613 7.078 2.742 297 HB3 LYS 39 HB3 LYS 39 -14.067 5.443 2.299 298 HG2 LYS 39 HG2 LYS 39 -11.673 6.233 3.927 299 HG3 LYS 39 HG3 LYS 39 -13.135 5.394 4.460 300 HD2 LYS 39 HD2 LYS 39 -12.572 3.472 3.026 301 HD3 LYS 39 HD3 LYS 39 -11.062 4.259 2.571 302 HE2 LYS 39 HE2 LYS 39 -11.895 3.287 5.341 303 HE3 LYS 39 HE3 LYS 39 -10.612 2.642 4.332 304 HZ1 LYS 39 HZ1 LYS 39 -9.619 3.970 5.996 305 HZ2 LYS 39 HZ2 LYS 39 -10.639 5.234 5.745 306 HZ3 LYS 39 HZ3 LYS 39 -9.489 4.852 4.609 307 H ASP 40 HN ASP 40 -14.585 5.622 -0.475 308 HA ASP 40 HA ASP 40 -14.828 8.199 -1.809 309 HB2 ASP 40 HB2 ASP 40 -15.559 5.935 -2.772 310 HB3 ASP 40 HB3 ASP 40 -16.847 5.947 -1.558 311 H LYS 41 HN LYS 41 -17.152 9.237 -1.679 312 HA LYS 41 HA LYS 41 -18.167 9.261 1.145 313 HB2 LYS 41 HB2 LYS 41 -18.322 11.503 -0.928 314 HB3 LYS 41 HB3 LYS 41 -19.073 11.521 0.670 315 HG2 LYS 41 HG2 LYS 41 -16.597 11.005 1.483 316 HG3 LYS 41 HG3 LYS 41 -16.172 11.723 -0.084 317 HD2 LYS 41 HD2 LYS 41 -17.938 13.082 2.005 318 HD3 LYS 41 HD3 LYS 41 -16.184 13.234 1.940 319 HE2 LYS 41 HE2 LYS 41 -16.292 14.222 -0.303 320 HE3 LYS 41 HE3 LYS 41 -18.064 14.102 -0.294 321 HZ1 LYS 41 HZ1 LYS 41 -18.161 15.642 1.475 322 HZ2 LYS 41 HZ2 LYS 41 -17.113 16.308 0.414 323 HZ3 LYS 41 HZ3 LYS 41 -16.558 15.581 1.786 324 H GLN 42 HN GLN 42 -19.124 8.393 -2.120 325 HA GLN 42 HA GLN 42 -21.929 8.434 -1.211 326 HB2 GLN 42 HB2 GLN 42 -20.525 8.686 -3.755 327 HB3 GLN 42 HB3 GLN 42 -21.775 7.459 -3.798 328 HG2 GLN 42 HG2 GLN 42 -22.761 9.517 -4.444 329 HG3 GLN 42 HG3 GLN 42 -23.402 9.080 -2.863 330 HE21 GLN 42 HE21 GLN 42 -21.780 10.293 -0.914 331 HE22 GLN 42 HE22 GLN 42 -21.560 11.967 -1.327 332 H THR 43 HN THR 43 -19.497 6.079 -2.522 333 HA THR 43 HA THR 43 -21.353 3.919 -1.925 334 HB THR 43 HB THR 43 -19.571 2.434 -2.656 335 HG1 THR 43 HG1 THR 43 -17.560 3.241 -3.194 336 HG21 THR 43 HG21 THR 43 -19.608 4.891 -4.456 337 HG22 THR 43 HG22 THR 43 -20.927 3.723 -4.321 338 HG23 THR 43 HG23 THR 43 -19.355 3.187 -4.929 339 H GLN 44 HN GLN 44 -19.158 5.655 -0.052 340 HA GLN 44 HA GLN 44 -18.303 5.518 1.972 341 HB2 GLN 44 HB2 GLN 44 -19.806 2.987 2.621 342 HB3 GLN 44 HB3 GLN 44 -19.081 4.136 3.726 343 HG2 GLN 44 HG2 GLN 44 -21.532 4.534 1.981 344 HG3 GLN 44 HG3 GLN 44 -21.461 4.489 3.740 345 HE21 GLN 44 HE21 GLN 44 -21.764 6.584 1.162 346 HE22 GLN 44 HE22 GLN 44 -21.033 8.025 1.819 347 H LEU 45 HN LEU 45 -17.725 3.162 -0.384 348 HA LEU 45 HA LEU 45 -15.952 1.351 1.036 349 HB2 LEU 45 HB2 LEU 45 -16.058 1.919 -1.940 350 HB3 LEU 45 HB3 LEU 45 -15.425 0.455 -1.177 351 HG LEU 45 HG LEU 45 -18.371 1.197 -1.051 352 HD11 LEU 45 HD11 LEU 45 -17.586 1.123 -3.363 353 HD12 LEU 45 HD12 LEU 45 -18.696 -0.216 -2.985 354 HD13 LEU 45 HD13 LEU 45 -16.951 -0.505 -3.100 355 HD21 LEU 45 HD21 LEU 45 -18.083 -0.444 0.552 356 HD22 LEU 45 HD22 LEU 45 -16.759 -1.246 -0.276 357 HD23 LEU 45 HD23 LEU 45 -18.426 -1.429 -0.867 358 H ASN 46 HN ASN 46 -13.806 1.099 -0.451 359 HA ASN 46 HA ASN 46 -12.061 3.403 -0.050 360 HB2 ASN 46 HB2 ASN 46 -10.301 1.912 -0.535 361 HB3 ASN 46 HB3 ASN 46 -11.440 1.037 0.462 362 HD21 ASN 46 HD21 ASN 46 -10.014 -0.706 -0.490 363 HD22 ASN 46 HD22 ASN 46 -10.571 -1.478 -1.942 364 H ARG 47 HN ARG 47 -10.370 3.427 -2.092 365 HA ARG 47 HA ARG 47 -11.950 4.161 -4.501 366 HB2 ARG 47 HB2 ARG 47 -9.428 5.373 -3.325 367 HB3 ARG 47 HB3 ARG 47 -10.002 5.721 -4.950 368 HG2 ARG 47 HG2 ARG 47 -12.254 6.059 -3.146 369 HG3 ARG 47 HG3 ARG 47 -10.859 6.870 -2.446 370 HD2 ARG 47 HD2 ARG 47 -12.105 8.417 -3.809 371 HD3 ARG 47 HD3 ARG 47 -10.516 8.138 -4.534 372 HE ARG 47 HE ARG 47 -12.375 6.291 -5.673 373 HH11 ARG 47 HH11 ARG 47 -12.158 9.838 -5.632 374 HH12 ARG 47 HH12 ARG 47 -12.511 10.022 -7.296 375 HH21 ARG 47 HH21 ARG 47 -12.966 6.495 -7.784 376 HH22 ARG 47 HH22 ARG 47 -13.014 8.010 -8.620 377 H GLY 48 HN GLY 48 -9.663 1.830 -3.471 378 HA2 GLY 48 HA1 GLY 48 -9.085 0.038 -4.807 379 HA3 GLY 48 HA2 GLY 48 -9.409 0.969 -6.265 380 H PHE 49 HN PHE 49 -7.325 2.522 -3.987 381 HA PHE 49 HA PHE 49 -4.858 1.224 -4.824 382 HB2 PHE 49 HB2 PHE 49 -3.840 3.479 -5.369 383 HB3 PHE 49 HB3 PHE 49 -4.858 2.723 -6.554 384 HD1 PHE 49 HD1 PHE 49 -5.678 5.006 -3.611 385 HD2 PHE 49 HD2 PHE 49 -5.916 4.312 -7.865 386 HE1 PHE 49 HE1 PHE 49 -7.057 7.027 -3.865 387 HE2 PHE 49 HE2 PHE 49 -7.200 6.409 -8.110 388 HZ PHE 49 HZ PHE 49 -7.800 7.765 -6.113 389 H ALA 50 HN ALA 50 -3.026 2.275 -3.310 390 HA ALA 50 HA ALA 50 -4.058 3.816 -1.137 391 HB1 ALA 50 HB1 ALA 50 -4.559 1.570 -0.191 392 HB2 ALA 50 HB2 ALA 50 -2.856 1.107 -0.427 393 HB3 ALA 50 HB3 ALA 50 -3.296 2.396 0.720 394 H PHE 51 HN PHE 51 -2.222 4.646 0.216 395 HA PHE 51 HA PHE 51 0.305 4.752 -1.328 396 HB2 PHE 51 HB2 PHE 51 -0.972 6.909 0.418 397 HB3 PHE 51 HB3 PHE 51 0.561 6.997 -0.357 398 HD1 PHE 51 HD1 PHE 51 -3.092 7.087 -0.962 399 HD2 PHE 51 HD2 PHE 51 0.841 7.528 -2.649 400 HE1 PHE 51 HE1 PHE 51 -4.085 8.132 -3.004 401 HE2 PHE 51 HE2 PHE 51 -0.148 8.549 -4.692 402 HZ PHE 51 HZ PHE 51 -2.603 8.852 -4.859 403 H ILE 52 HN ILE 52 2.088 4.906 0.038 404 HA ILE 52 HA ILE 52 1.825 4.399 2.954 405 HB ILE 52 HB ILE 52 3.688 2.999 1.082 406 HG12 ILE 52 HG12 ILE 52 1.221 1.815 2.406 407 HG13 ILE 52 HG13 ILE 52 1.411 2.134 0.686 408 HG21 ILE 52 HG21 ILE 52 3.206 2.397 4.014 409 HG22 ILE 52 HG22 ILE 52 4.403 1.632 2.937 410 HG23 ILE 52 HG23 ILE 52 4.586 3.318 3.368 411 HD11 ILE 52 HD11 ILE 52 2.948 0.053 2.247 412 HD12 ILE 52 HD12 ILE 52 1.679 -0.201 1.046 413 HD13 ILE 52 HD13 ILE 52 3.237 0.477 0.547 414 H GLN 53 HN GLN 53 2.931 6.005 3.913 415 HA GLN 53 HA GLN 53 5.124 7.439 2.480 416 HB2 GLN 53 HB2 GLN 53 2.722 8.302 4.039 417 HB3 GLN 53 HB3 GLN 53 4.223 9.033 4.574 418 HG2 GLN 53 HG2 GLN 53 3.163 10.469 2.988 419 HG3 GLN 53 HG3 GLN 53 4.727 9.893 2.408 420 HE21 GLN 53 HE21 GLN 53 1.726 7.884 2.015 421 HE22 GLN 53 HE22 GLN 53 1.903 7.962 0.272 422 H LEU 54 HN LEU 54 6.729 5.983 3.173 423 HA LEU 54 HA LEU 54 7.040 5.494 6.088 424 HB2 LEU 54 HB2 LEU 54 7.788 4.037 3.679 425 HB3 LEU 54 HB3 LEU 54 9.202 4.298 4.684 426 HG LEU 54 HG LEU 54 6.589 3.078 5.662 427 HD11 LEU 54 HD11 LEU 54 7.671 1.635 3.997 428 HD12 LEU 54 HD12 LEU 54 7.851 0.933 5.609 429 HD13 LEU 54 HD13 LEU 54 9.223 1.757 4.848 430 HD21 LEU 54 HD21 LEU 54 7.927 2.336 7.605 431 HD22 LEU 54 HD22 LEU 54 7.882 4.093 7.525 432 HD23 LEU 54 HD23 LEU 54 9.337 3.211 6.997 433 H SER 55 HN SER 55 9.765 5.490 6.364 434 HA SER 55 HA SER 55 10.621 8.304 6.155 435 HB2 SER 55 HB2 SER 55 11.244 6.765 8.049 436 HB3 SER 55 HB3 SER 55 12.172 5.804 6.896 437 HG SER 55 HG SER 55 13.371 7.373 8.094 438 H THR 56 HN THR 56 12.553 8.815 4.856 439 HA THR 56 HA THR 56 12.393 8.363 2.159 440 HB THR 56 HB THR 56 14.870 9.150 2.288 441 HG1 THR 56 HG1 THR 56 15.116 10.046 4.592 442 HG21 THR 56 HG21 THR 56 14.263 11.388 3.069 443 HG22 THR 56 HG22 THR 56 12.799 10.762 3.850 444 HG23 THR 56 HG23 THR 56 12.967 10.703 2.085 445 H ILE 57 HN ILE 57 14.993 7.044 4.110 446 HA ILE 57 HA ILE 57 15.913 5.164 2.209 447 HB ILE 57 HB ILE 57 16.249 5.169 5.242 448 HG12 ILE 57 HG12 ILE 57 16.948 7.322 4.341 449 HG13 ILE 57 HG13 ILE 57 18.311 6.391 4.895 450 HG21 ILE 57 HG21 ILE 57 16.967 3.043 4.409 451 HG22 ILE 57 HG22 ILE 57 17.922 3.782 3.104 452 HG23 ILE 57 HG23 ILE 57 18.394 3.985 4.816 453 HD11 ILE 57 HD11 ILE 57 17.468 6.760 1.982 454 HD12 ILE 57 HD12 ILE 57 18.814 7.557 2.793 455 HD13 ILE 57 HD13 ILE 57 18.868 5.808 2.527 456 H GLU 58 HN GLU 58 13.769 4.721 5.019 457 HA GLU 58 HA GLU 58 13.547 1.918 4.858 458 HB2 GLU 58 HB2 GLU 58 11.462 3.933 5.806 459 HB3 GLU 58 HB3 GLU 58 11.435 2.198 6.141 460 HG2 GLU 58 HG2 GLU 58 13.652 4.102 7.034 461 HG3 GLU 58 HG3 GLU 58 12.290 3.551 8.000 462 H ALA 59 HN ALA 59 11.450 4.391 3.423 463 HA ALA 59 HA ALA 59 9.562 2.674 2.202 464 HB1 ALA 59 HB1 ALA 59 8.960 4.632 0.876 465 HB2 ALA 59 HB2 ALA 59 9.356 5.194 2.490 466 HB3 ALA 59 HB3 ALA 59 10.532 5.382 1.210 467 H ALA 60 HN ALA 60 12.698 3.909 0.987 468 HA ALA 60 HA ALA 60 12.524 2.631 -1.594 469 HB1 ALA 60 HB1 ALA 60 14.031 4.526 -1.141 470 HB2 ALA 60 HB2 ALA 60 14.966 3.541 0.001 471 HB3 ALA 60 HB3 ALA 60 14.930 3.114 -1.725 472 H GLN 61 HN GLN 61 14.339 1.753 1.398 473 HA GLN 61 HA GLN 61 15.476 -0.660 0.541 474 HB2 GLN 61 HB2 GLN 61 14.534 0.209 3.318 475 HB3 GLN 61 HB3 GLN 61 15.355 -1.321 3.006 476 HG2 GLN 61 HG2 GLN 61 17.264 -0.017 1.995 477 HG3 GLN 61 HG3 GLN 61 16.536 1.450 2.621 478 HE21 GLN 61 HE21 GLN 61 15.823 0.975 5.326 479 HE22 GLN 61 HE22 GLN 61 17.167 0.339 6.159 480 H LEU 62 HN LEU 62 12.414 -0.237 2.336 481 HA LEU 62 HA LEU 62 11.679 -2.927 2.400 482 HB2 LEU 62 HB2 LEU 62 10.725 -1.220 3.818 483 HB3 LEU 62 HB3 LEU 62 9.997 -0.393 2.441 484 HG LEU 62 HG LEU 62 8.515 -1.741 3.949 485 HD11 LEU 62 HD11 LEU 62 7.783 -0.957 1.786 486 HD12 LEU 62 HD12 LEU 62 6.997 -2.452 2.281 487 HD13 LEU 62 HD13 LEU 62 8.270 -2.496 1.048 488 HD21 LEU 62 HD21 LEU 62 9.904 -3.737 4.242 489 HD22 LEU 62 HD22 LEU 62 9.723 -4.156 2.545 490 HD23 LEU 62 HD23 LEU 62 8.303 -4.169 3.582 491 H LEU 63 HN LEU 63 10.800 -0.401 -0.051 492 HA LEU 63 HA LEU 63 9.088 -2.113 -1.511 493 HB2 LEU 63 HB2 LEU 63 9.185 0.334 -1.837 494 HB3 LEU 63 HB3 LEU 63 10.785 0.213 -2.544 495 HG LEU 63 HG LEU 63 8.807 -1.582 -3.858 496 HD11 LEU 63 HD11 LEU 63 8.304 1.398 -3.935 497 HD12 LEU 63 HD12 LEU 63 7.236 0.118 -3.309 498 HD13 LEU 63 HD13 LEU 63 7.587 0.206 -5.037 499 HD21 LEU 63 HD21 LEU 63 10.591 0.646 -4.941 500 HD22 LEU 63 HD22 LEU 63 9.732 -0.549 -5.918 501 HD23 LEU 63 HD23 LEU 63 11.027 -1.074 -4.838 502 H GLN 64 HN GLN 64 12.617 -1.511 -1.870 503 HA GLN 64 HA GLN 64 12.986 -3.009 -4.231 504 HB2 GLN 64 HB2 GLN 64 14.868 -2.493 -1.872 505 HB3 GLN 64 HB3 GLN 64 15.395 -3.258 -3.360 506 HG2 GLN 64 HG2 GLN 64 14.223 -0.449 -3.196 507 HG3 GLN 64 HG3 GLN 64 15.940 -0.843 -3.282 508 HE21 GLN 64 HE21 GLN 64 12.996 -0.535 -5.021 509 HE22 GLN 64 HE22 GLN 64 13.632 -0.877 -6.643 510 H ILE 65 HN ILE 65 12.756 -4.123 -0.927 511 HA ILE 65 HA ILE 65 13.742 -6.793 -1.322 512 HB ILE 65 HB ILE 65 11.840 -5.719 0.771 513 HG12 ILE 65 HG12 ILE 65 14.808 -6.248 1.110 514 HG13 ILE 65 HG13 ILE 65 14.188 -4.679 0.667 515 HG21 ILE 65 HG21 ILE 65 11.618 -8.100 0.670 516 HG22 ILE 65 HG22 ILE 65 13.389 -8.326 0.759 517 HG23 ILE 65 HG23 ILE 65 12.463 -7.682 2.139 518 HD11 ILE 65 HD11 ILE 65 12.691 -4.813 2.769 519 HD12 ILE 65 HD12 ILE 65 13.703 -6.186 3.247 520 HD13 ILE 65 HD13 ILE 65 14.426 -4.584 3.029 521 H LEU 66 HN LEU 66 10.325 -5.743 -0.952 522 HA LEU 66 HA LEU 66 9.209 -8.193 -1.795 523 HB2 LEU 66 HB2 LEU 66 8.032 -5.391 -1.963 524 HB3 LEU 66 HB3 LEU 66 7.137 -6.853 -2.234 525 HG LEU 66 HG LEU 66 6.573 -6.058 -0.104 526 HD11 LEU 66 HD11 LEU 66 8.547 -8.315 0.469 527 HD12 LEU 66 HD12 LEU 66 6.903 -8.553 -0.178 528 HD13 LEU 66 HD13 LEU 66 7.139 -7.845 1.444 529 HD21 LEU 66 HD21 LEU 66 9.435 -6.050 0.818 530 HD22 LEU 66 HD22 LEU 66 7.985 -5.614 1.726 531 HD23 LEU 66 HD23 LEU 66 8.468 -4.630 0.332 532 H GLN 67 HN GLN 67 10.771 -5.911 -3.733 533 HA GLN 67 HA GLN 67 9.343 -6.630 -6.264 534 HB2 GLN 67 HB2 GLN 67 11.403 -4.497 -5.556 535 HB3 GLN 67 HB3 GLN 67 10.823 -4.783 -7.186 536 HG2 GLN 67 HG2 GLN 67 8.599 -4.409 -5.234 537 HG3 GLN 67 HG3 GLN 67 9.727 -3.065 -5.333 538 HE21 GLN 67 HE21 GLN 67 7.866 -1.842 -6.082 539 HE22 GLN 67 HE22 GLN 67 7.352 -2.051 -7.764 540 H ALA 68 HN ALA 68 11.554 -8.228 -4.525 541 HA ALA 68 HA ALA 68 13.016 -9.148 -6.963 542 HB1 ALA 68 HB1 ALA 68 14.173 -8.344 -4.261 543 HB2 ALA 68 HB2 ALA 68 15.072 -9.193 -5.529 544 HB3 ALA 68 HB3 ALA 68 14.449 -7.566 -5.849 545 H LEU 69 HN LEU 69 10.800 -10.286 -4.919 546 HA LEU 69 HA LEU 69 11.825 -12.996 -4.920 547 HB2 LEU 69 HB2 LEU 69 11.742 -13.309 -2.480 548 HB3 LEU 69 HB3 LEU 69 13.007 -12.202 -2.965 549 HG LEU 69 HG LEU 69 10.930 -10.420 -2.475 550 HD11 LEU 69 HD11 LEU 69 9.432 -12.159 -1.553 551 HD12 LEU 69 HD12 LEU 69 9.922 -10.991 -0.334 552 HD13 LEU 69 HD13 LEU 69 10.672 -12.611 -0.369 553 HD21 LEU 69 HD21 LEU 69 13.236 -10.190 -1.762 554 HD22 LEU 69 HD22 LEU 69 13.002 -11.450 -0.506 555 HD23 LEU 69 HD23 LEU 69 12.114 -9.901 -0.443 556 H HIS 70 HN HIS 70 10.227 -14.464 -4.687 557 HA HIS 70 HA HIS 70 8.187 -15.320 -4.749 558 HB2 HIS 70 HB2 HIS 70 8.357 -13.817 -2.243 559 HB3 HIS 70 HB3 HIS 70 6.710 -14.089 -2.735 560 HD1 HIS 70 HD1 HIS 70 5.775 -16.473 -2.212 561 HD2 HIS 70 HD2 HIS 70 9.988 -16.123 -2.070 562 HE1 HIS 70 HE1 HIS 70 6.669 -18.735 -1.452 563 HA PRO 71 HA PRO 71 5.212 -12.914 -6.988 564 HB2 PRO 71 HB2 PRO 71 2.801 -14.032 -5.850 565 HB3 PRO 71 HB3 PRO 71 3.589 -14.473 -7.387 566 HG2 PRO 71 HG2 PRO 71 3.431 -16.159 -5.108 567 HG3 PRO 71 HG3 PRO 71 4.546 -16.359 -6.492 568 HD2 PRO 71 HD2 PRO 71 5.044 -15.047 -3.842 569 HD3 PRO 71 HD3 PRO 71 6.159 -16.087 -4.781 570 HA PRO 72 HA PRO 72 3.328 -9.980 -3.976 571 HB2 PRO 72 HB2 PRO 72 1.062 -9.196 -5.338 572 HB3 PRO 72 HB3 PRO 72 2.701 -8.552 -5.659 573 HG2 PRO 72 HG2 PRO 72 1.261 -10.749 -7.149 574 HG3 PRO 72 HG3 PRO 72 2.148 -9.362 -7.823 575 HD2 PRO 72 HD2 PRO 72 3.210 -11.859 -7.570 576 HD3 PRO 72 HD3 PRO 72 4.224 -10.404 -7.336 577 H LEU 73 HN LEU 73 1.391 -9.861 -2.654 578 HA LEU 73 HA LEU 73 0.394 -12.519 -1.952 579 HB2 LEU 73 HB2 LEU 73 1.575 -10.388 -0.556 580 HB3 LEU 73 HB3 LEU 73 -0.116 -10.092 -0.287 581 HG LEU 73 HG LEU 73 0.976 -11.257 1.537 582 HD11 LEU 73 HD11 LEU 73 -1.435 -11.677 1.150 583 HD12 LEU 73 HD12 LEU 73 -0.608 -12.976 2.000 584 HD13 LEU 73 HD13 LEU 73 -1.001 -13.189 0.291 585 HD21 LEU 73 HD21 LEU 73 2.666 -12.513 0.240 586 HD22 LEU 73 HD22 LEU 73 1.414 -13.633 -0.317 587 HD23 LEU 73 HD23 LEU 73 1.812 -13.519 1.412 588 H THR 74 HN THR 74 -1.892 -12.397 -0.990 589 HA THR 74 HA THR 74 -3.484 -10.199 -1.875 590 HB THR 74 HB THR 74 -3.772 -11.573 -3.826 591 HG1 THR 74 HG1 THR 74 -5.461 -10.517 -3.441 592 HG21 THR 74 HG21 THR 74 -4.737 -13.796 -2.016 593 HG22 THR 74 HG22 THR 74 -3.299 -13.800 -3.060 594 HG23 THR 74 HG23 THR 74 -4.907 -13.714 -3.786 595 H ILE 75 HN ILE 75 -5.376 -9.924 -0.669 596 HA ILE 75 HA ILE 75 -5.973 -11.741 1.579 597 HB ILE 75 HB ILE 75 -6.018 -8.776 2.085 598 HG12 ILE 75 HG12 ILE 75 -3.731 -9.121 3.212 599 HG13 ILE 75 HG13 ILE 75 -3.412 -10.331 2.011 600 HG21 ILE 75 HG21 ILE 75 -5.658 -9.504 4.381 601 HG22 ILE 75 HG22 ILE 75 -6.956 -10.446 3.663 602 HG23 ILE 75 HG23 ILE 75 -5.353 -11.174 3.839 603 HD11 ILE 75 HD11 ILE 75 -2.585 -7.913 1.701 604 HD12 ILE 75 HD12 ILE 75 -3.394 -8.617 0.315 605 HD13 ILE 75 HD13 ILE 75 -4.260 -7.445 1.381 606 H ASP 76 HN ASP 76 -7.267 -11.078 -1.069 607 HA ASP 76 HA ASP 76 -9.858 -11.297 -0.141 608 HB2 ASP 76 HB2 ASP 76 -9.581 -8.654 0.083 609 HB3 ASP 76 HB3 ASP 76 -9.886 -8.689 -1.636 610 H GLY 77 HN GLY 77 -7.973 -12.537 -1.967 611 HA2 GLY 77 HA1 GLY 77 -7.752 -13.427 -3.966 612 HA3 GLY 77 HA2 GLY 77 -9.465 -13.093 -4.263 613 H LYS 78 HN LYS 78 -7.546 -10.239 -3.682 614 HA LYS 78 HA LYS 78 -7.197 -9.774 -6.611 615 HB2 LYS 78 HB2 LYS 78 -7.160 -7.324 -5.702 616 HB3 LYS 78 HB3 LYS 78 -8.651 -8.139 -6.115 617 HG2 LYS 78 HG2 LYS 78 -8.845 -6.826 -4.136 618 HG3 LYS 78 HG3 LYS 78 -9.187 -8.498 -3.780 619 HD2 LYS 78 HD2 LYS 78 -7.161 -8.736 -2.592 620 HD3 LYS 78 HD3 LYS 78 -6.516 -7.200 -3.249 621 HE2 LYS 78 HE2 LYS 78 -7.580 -5.889 -1.737 622 HE3 LYS 78 HE3 LYS 78 -8.911 -7.022 -1.481 623 HZ1 LYS 78 HZ1 LYS 78 -6.232 -7.638 -0.526 624 HZ2 LYS 78 HZ2 LYS 78 -7.679 -8.316 -0.080 625 HZ3 LYS 78 HZ3 LYS 78 -7.347 -6.779 0.367 626 H THR 79 HN THR 79 -5.038 -10.094 -7.171 627 HA THR 79 HA THR 79 -3.068 -10.069 -5.131 628 HB THR 79 HB THR 79 -2.278 -9.924 -8.024 629 HG1 THR 79 HG1 THR 79 -3.102 -11.825 -8.531 630 HG21 THR 79 HG21 THR 79 -1.614 -11.853 -5.727 631 HG22 THR 79 HG22 THR 79 -0.704 -10.385 -6.114 632 HG23 THR 79 HG23 THR 79 -0.767 -11.711 -7.283 633 H ILE 80 HN ILE 80 -1.873 -8.360 -4.336 634 HA ILE 80 HA ILE 80 -2.667 -5.711 -5.245 635 HB ILE 80 HB ILE 80 -0.621 -6.542 -3.178 636 HG12 ILE 80 HG12 ILE 80 -2.745 -7.375 -2.490 637 HG13 ILE 80 HG13 ILE 80 -2.312 -6.020 -1.476 638 HG21 ILE 80 HG21 ILE 80 -1.859 -3.811 -3.646 639 HG22 ILE 80 HG22 ILE 80 -0.953 -4.295 -2.193 640 HG23 ILE 80 HG23 ILE 80 -0.144 -4.289 -3.753 641 HD11 ILE 80 HD11 ILE 80 -3.824 -4.534 -2.922 642 HD12 ILE 80 HD12 ILE 80 -4.380 -6.018 -3.717 643 HD13 ILE 80 HD13 ILE 80 -4.656 -5.761 -1.981 644 H ASN 81 HN ASN 81 -1.549 -4.297 -6.341 645 HA ASN 81 HA ASN 81 1.012 -5.021 -7.736 646 HB2 ASN 81 HB2 ASN 81 -1.346 -3.322 -8.326 647 HB3 ASN 81 HB3 ASN 81 0.145 -2.520 -8.687 648 HD21 ASN 81 HD21 ASN 81 -1.291 -5.742 -9.081 649 HD22 ASN 81 HD22 ASN 81 -0.523 -6.053 -10.673 650 H VAL 82 HN VAL 82 2.708 -3.336 -7.694 651 HA VAL 82 HA VAL 82 2.557 -1.494 -5.369 652 HB VAL 82 HB VAL 82 4.976 -3.124 -6.252 653 HG11 VAL 82 HG11 VAL 82 4.472 -1.536 -3.707 654 HG12 VAL 82 HG12 VAL 82 5.947 -2.441 -4.101 655 HG13 VAL 82 HG13 VAL 82 5.516 -1.014 -5.047 656 HG21 VAL 82 HG21 VAL 82 4.652 -4.406 -4.122 657 HG22 VAL 82 HG22 VAL 82 3.048 -3.663 -3.958 658 HG23 VAL 82 HG23 VAL 82 3.412 -4.734 -5.334 659 H GLU 83 HN GLU 83 3.668 0.488 -5.723 660 HA GLU 83 HA GLU 83 5.035 0.934 -8.272 661 HB2 GLU 83 HB2 GLU 83 2.510 2.239 -7.304 662 HB3 GLU 83 HB3 GLU 83 3.685 3.304 -8.041 663 HG2 GLU 83 HG2 GLU 83 2.743 0.791 -9.451 664 HG3 GLU 83 HG3 GLU 83 1.876 2.318 -9.512 665 H PHE 84 HN PHE 84 6.152 2.971 -8.183 666 HA PHE 84 HA PHE 84 7.020 3.858 -5.462 667 HB2 PHE 84 HB2 PHE 84 8.483 2.017 -6.287 668 HB3 PHE 84 HB3 PHE 84 8.828 2.931 -7.730 669 HD1 PHE 84 HD1 PHE 84 8.827 3.750 -4.007 670 HD2 PHE 84 HD2 PHE 84 11.032 3.682 -7.711 671 HE1 PHE 84 HE1 PHE 84 10.831 4.699 -2.863 672 HE2 PHE 84 HE2 PHE 84 13.020 4.556 -6.548 673 HZ PHE 84 HZ PHE 84 12.912 5.074 -4.097 674 H ALA 85 HN ALA 85 6.002 5.884 -5.741 675 HA ALA 85 HA ALA 85 6.805 7.494 -8.151 676 HB1 ALA 85 HB1 ALA 85 5.113 9.060 -7.591 677 HB2 ALA 85 HB2 ALA 85 4.371 7.461 -7.697 678 HB3 ALA 85 HB3 ALA 85 4.706 8.212 -6.101 679 H LYS 86 HN LYS 86 8.969 7.496 -7.311 680 HA LYS 86 HA LYS 86 9.503 8.571 -4.688 681 HB2 LYS 86 HB2 LYS 86 10.768 6.793 -6.037 682 HB3 LYS 86 HB3 LYS 86 11.463 8.109 -6.979 683 HG2 LYS 86 HG2 LYS 86 11.682 7.702 -3.971 684 HG3 LYS 86 HG3 LYS 86 12.925 7.360 -5.160 685 HD2 LYS 86 HD2 LYS 86 12.752 9.838 -5.821 686 HD3 LYS 86 HD3 LYS 86 11.871 10.059 -4.269 687 HE2 LYS 86 HE2 LYS 86 13.759 9.206 -3.026 688 HE3 LYS 86 HE3 LYS 86 14.603 8.778 -4.522 689 HZ1 LYS 86 HZ1 LYS 86 14.561 11.126 -5.126 690 HZ2 LYS 86 HZ2 LYS 86 15.428 10.811 -3.757 691 HZ3 LYS 86 HZ3 LYS 86 13.958 11.507 -3.611 692 H GLY 87 HN GLY 87 9.049 10.750 -4.361 693 HA2 GLY 87 HA1 GLY 87 9.423 12.786 -6.354 694 HA3 GLY 87 HA2 GLY 87 9.166 13.007 -4.617 695 H SER 88 HN SER 88 11.714 12.072 -6.972 696 HA SER 88 HA SER 88 13.924 13.212 -5.387 697 HB2 SER 88 HB2 SER 88 13.613 12.375 -8.221 698 HB3 SER 88 HB3 SER 88 15.058 13.222 -7.651 699 HG SER 88 HG SER 88 15.404 11.025 -7.643 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 7.981 18.636 0.011 2 HA2 GLY 1 HA1 GLY 1 6.146 17.352 -1.115 3 HA3 GLY 1 HA2 GLY 1 7.354 18.031 -2.209 4 H HIS 2 HN HIS 2 5.612 15.362 -1.848 5 HA HIS 2 HA HIS 2 5.581 13.447 -2.981 6 HB2 HIS 2 HB2 HIS 2 8.433 13.619 -3.892 7 HB3 HIS 2 HB3 HIS 2 7.059 12.864 -4.677 8 HD1 HIS 2 HD1 HIS 2 5.208 14.936 -5.660 9 HD2 HIS 2 HD2 HIS 2 9.293 15.736 -4.973 10 HE1 HIS 2 HE1 HIS 2 5.802 16.986 -7.047 11 H MET 3 HN MET 3 8.917 13.733 -1.687 12 HA MET 3 HA MET 3 10.290 12.221 -0.717 13 HB2 MET 3 HB2 MET 3 8.429 12.797 1.116 14 HB3 MET 3 HB3 MET 3 7.902 11.149 0.822 15 HG2 MET 3 HG2 MET 3 9.353 10.544 2.427 16 HG3 MET 3 HG3 MET 3 10.628 10.830 1.253 17 HE1 MET 3 HE1 MET 3 9.435 13.511 4.810 18 HE2 MET 3 HE2 MET 3 8.265 13.105 3.532 19 HE3 MET 3 HE3 MET 3 8.962 11.822 4.539 20 H ASP 4 HN ASP 4 9.881 9.575 0.232 21 HA ASP 4 HA ASP 4 9.775 8.094 -2.313 22 HB2 ASP 4 HB2 ASP 4 10.839 7.399 0.466 23 HB3 ASP 4 HB3 ASP 4 10.720 6.278 -0.897 24 H THR 5 HN THR 5 7.606 7.972 -2.587 25 HA THR 5 HA THR 5 5.921 6.830 -0.414 26 HB THR 5 HB THR 5 5.132 8.180 -3.008 27 HG1 THR 5 HG1 THR 5 5.711 9.832 -1.739 28 HG21 THR 5 HG21 THR 5 3.425 7.180 -0.731 29 HG22 THR 5 HG22 THR 5 3.425 6.599 -2.401 30 HG23 THR 5 HG23 THR 5 2.873 8.238 -2.046 31 H ILE 6 HN ILE 6 5.167 4.826 -0.572 32 HA ILE 6 HA ILE 6 5.569 3.374 -3.163 33 HB ILE 6 HB ILE 6 4.995 2.166 -0.438 34 HG12 ILE 6 HG12 ILE 6 7.567 2.318 -2.060 35 HG13 ILE 6 HG13 ILE 6 7.237 3.058 -0.498 36 HG21 ILE 6 HG21 ILE 6 5.682 0.792 -3.063 37 HG22 ILE 6 HG22 ILE 6 5.276 0.011 -1.520 38 HG23 ILE 6 HG23 ILE 6 4.044 0.904 -2.398 39 HD11 ILE 6 HD11 ILE 6 8.584 1.151 -0.080 40 HD12 ILE 6 HD12 ILE 6 6.946 0.761 0.486 41 HD13 ILE 6 HD13 ILE 6 7.551 0.093 -1.050 42 H ILE 7 HN ILE 7 3.760 2.936 -4.278 43 HA ILE 7 HA ILE 7 1.116 3.658 -3.091 44 HB ILE 7 HB ILE 7 1.855 3.765 -6.050 45 HG12 ILE 7 HG12 ILE 7 1.674 5.946 -3.955 46 HG13 ILE 7 HG13 ILE 7 3.057 5.534 -4.957 47 HG21 ILE 7 HG21 ILE 7 -0.643 4.741 -4.605 48 HG22 ILE 7 HG22 ILE 7 -0.326 4.837 -6.341 49 HG23 ILE 7 HG23 ILE 7 -0.549 3.265 -5.593 50 HD11 ILE 7 HD11 ILE 7 2.065 7.591 -5.748 51 HD12 ILE 7 HD12 ILE 7 1.842 6.322 -6.968 52 HD13 ILE 7 HD13 ILE 7 0.492 6.839 -5.933 53 H LEU 8 HN LEU 8 -0.562 2.126 -3.583 54 HA LEU 8 HA LEU 8 0.344 -0.555 -4.519 55 HB2 LEU 8 HB2 LEU 8 -1.485 0.191 -2.225 56 HB3 LEU 8 HB3 LEU 8 -1.623 -1.356 -3.043 57 HG LEU 8 HG LEU 8 0.589 -2.043 -2.357 58 HD11 LEU 8 HD11 LEU 8 1.759 -0.711 -0.552 59 HD12 LEU 8 HD12 LEU 8 0.743 0.702 -1.019 60 HD13 LEU 8 HD13 LEU 8 1.882 -0.047 -2.171 61 HD21 LEU 8 HD21 LEU 8 0.029 -2.312 0.009 62 HD22 LEU 8 HD22 LEU 8 -1.446 -2.427 -0.971 63 HD23 LEU 8 HD23 LEU 8 -1.122 -0.956 -0.073 64 H ARG 9 HN ARG 9 -1.407 -1.738 -5.575 65 HA ARG 9 HA ARG 9 -3.809 -0.177 -6.359 66 HB2 ARG 9 HB2 ARG 9 -1.981 -1.452 -8.426 67 HB3 ARG 9 HB3 ARG 9 -3.563 -0.750 -8.748 68 HG2 ARG 9 HG2 ARG 9 -2.772 1.473 -8.334 69 HG3 ARG 9 HG3 ARG 9 -1.279 0.891 -7.611 70 HD2 ARG 9 HD2 ARG 9 -0.785 1.597 -9.916 71 HD3 ARG 9 HD3 ARG 9 -0.576 -0.149 -9.731 72 HE ARG 9 HE ARG 9 -1.988 -0.422 -11.410 73 HH11 ARG 9 HH11 ARG 9 -2.801 2.790 -10.199 74 HH12 ARG 9 HH12 ARG 9 -4.375 2.871 -10.922 75 HH21 ARG 9 HH21 ARG 9 -3.978 -0.289 -12.547 76 HH22 ARG 9 HH22 ARG 9 -5.002 1.096 -12.379 77 H ASN 10 HN ASN 10 -5.262 -1.670 -7.687 78 HA ASN 10 HA ASN 10 -6.646 -3.378 -7.749 79 HB2 ASN 10 HB2 ASN 10 -4.733 -4.629 -8.709 80 HB3 ASN 10 HB3 ASN 10 -4.321 -5.229 -7.110 81 HD21 ASN 10 HD21 ASN 10 -4.902 -7.435 -7.269 82 HD22 ASN 10 HD22 ASN 10 -6.520 -7.974 -7.725 83 H LEU 11 HN LEU 11 -6.355 -1.846 -5.238 84 HA LEU 11 HA LEU 11 -6.802 -3.721 -3.067 85 HB2 LEU 11 HB2 LEU 11 -7.503 -0.791 -3.433 86 HB3 LEU 11 HB3 LEU 11 -7.661 -1.662 -1.934 87 HG LEU 11 HG LEU 11 -5.745 -0.067 -2.208 88 HD11 LEU 11 HD11 LEU 11 -4.060 -1.498 -1.023 89 HD12 LEU 11 HD12 LEU 11 -5.068 -2.902 -1.399 90 HD13 LEU 11 HD13 LEU 11 -5.690 -1.596 -0.371 91 HD21 LEU 11 HD21 LEU 11 -5.013 -0.802 -4.447 92 HD22 LEU 11 HD22 LEU 11 -4.237 -2.185 -3.658 93 HD23 LEU 11 HD23 LEU 11 -3.757 -0.525 -3.242 94 H ASN 12 HN ASN 12 -8.711 -4.874 -2.914 95 HA ASN 12 HA ASN 12 -10.930 -4.415 -4.665 96 HB2 ASN 12 HB2 ASN 12 -10.433 -6.204 -2.319 97 HB3 ASN 12 HB3 ASN 12 -12.072 -5.676 -2.427 98 HD21 ASN 12 HD21 ASN 12 -12.459 -8.095 -2.746 99 HD22 ASN 12 HD22 ASN 12 -12.451 -8.597 -4.415 100 HA PRO 13 HA PRO 13 -13.182 -1.160 -2.671 101 HB2 PRO 13 HB2 PRO 13 -15.803 -2.063 -3.090 102 HB3 PRO 13 HB3 PRO 13 -14.786 -1.187 -4.284 103 HG2 PRO 13 HG2 PRO 13 -15.306 -4.147 -4.006 104 HG3 PRO 13 HG3 PRO 13 -15.237 -3.158 -5.504 105 HD2 PRO 13 HD2 PRO 13 -13.158 -4.675 -4.708 106 HD3 PRO 13 HD3 PRO 13 -12.896 -3.078 -5.471 107 H HIS 14 HN HIS 14 -14.301 -4.495 -1.933 108 HA HIS 14 HA HIS 14 -15.260 -3.956 0.690 109 HB2 HIS 14 HB2 HIS 14 -14.683 -6.352 -0.999 110 HB3 HIS 14 HB3 HIS 14 -14.562 -6.625 0.726 111 HD1 HIS 14 HD1 HIS 14 -16.803 -6.058 2.231 112 HD2 HIS 14 HD2 HIS 14 -17.164 -6.060 -1.970 113 HE1 HIS 14 HE1 HIS 14 -19.287 -6.253 1.712 114 H SER 15 HN SER 15 -11.964 -3.957 -0.333 115 HA SER 15 HA SER 15 -10.868 -5.221 2.051 116 HB2 SER 15 HB2 SER 15 -9.779 -4.873 -0.298 117 HB3 SER 15 HB3 SER 15 -9.415 -3.232 0.260 118 HG SER 15 HG SER 15 -8.170 -4.089 1.899 119 H THR 16 HN THR 16 -9.584 -3.962 3.683 120 HA THR 16 HA THR 16 -10.264 -1.088 3.859 121 HB THR 16 HB THR 16 -11.602 -2.306 5.417 122 HG1 THR 16 HG1 THR 16 -11.352 -0.920 6.846 123 HG21 THR 16 HG21 THR 16 -10.231 -4.296 5.925 124 HG22 THR 16 HG22 THR 16 -10.679 -3.444 7.400 125 HG23 THR 16 HG23 THR 16 -9.048 -3.265 6.749 126 H MET 17 HN MET 17 -8.482 -0.780 6.040 127 HA MET 17 HA MET 17 -5.812 -0.838 4.747 128 HB2 MET 17 HB2 MET 17 -6.630 1.300 5.675 129 HB3 MET 17 HB3 MET 17 -6.936 0.563 7.233 130 HG2 MET 17 HG2 MET 17 -4.493 -0.040 7.362 131 HG3 MET 17 HG3 MET 17 -4.226 0.935 5.931 132 HE1 MET 17 HE1 MET 17 -5.909 3.524 6.258 133 HE2 MET 17 HE2 MET 17 -4.844 4.561 7.242 134 HE3 MET 17 HE3 MET 17 -4.161 3.579 5.937 135 H ASP 18 HN ASP 18 -7.552 -1.362 7.839 136 HA ASP 18 HA ASP 18 -5.559 -2.505 9.278 137 HB2 ASP 18 HB2 ASP 18 -7.677 -1.650 10.139 138 HB3 ASP 18 HB3 ASP 18 -8.560 -3.002 9.418 139 H SER 19 HN SER 19 -7.517 -4.094 6.850 140 HA SER 19 HA SER 19 -7.024 -6.825 7.792 141 HB2 SER 19 HB2 SER 19 -8.006 -7.471 5.638 142 HB3 SER 19 HB3 SER 19 -9.045 -6.380 6.551 143 HG SER 19 HG SER 19 -8.601 -6.133 4.156 144 H ILE 20 HN ILE 20 -5.985 -4.855 5.063 145 HA ILE 20 HA ILE 20 -3.877 -6.444 4.069 146 HB ILE 20 HB ILE 20 -4.113 -3.398 4.046 147 HG12 ILE 20 HG12 ILE 20 -5.333 -5.501 2.198 148 HG13 ILE 20 HG13 ILE 20 -6.201 -4.340 3.193 149 HG21 ILE 20 HG21 ILE 20 -2.701 -3.427 2.097 150 HG22 ILE 20 HG22 ILE 20 -1.886 -4.357 3.329 151 HG23 ILE 20 HG23 ILE 20 -2.746 -5.203 2.015 152 HD11 ILE 20 HD11 ILE 20 -4.520 -3.732 0.754 153 HD12 ILE 20 HD12 ILE 20 -6.259 -3.538 0.945 154 HD13 ILE 20 HD13 ILE 20 -5.162 -2.484 1.856 155 H LEU 21 HN LEU 21 -3.879 -3.890 6.637 156 HA LEU 21 HA LEU 21 -1.068 -4.012 7.001 157 HB2 LEU 21 HB2 LEU 21 -3.375 -3.177 8.789 158 HB3 LEU 21 HB3 LEU 21 -1.770 -3.285 9.489 159 HG LEU 21 HG LEU 21 -2.471 -1.519 7.112 160 HD11 LEU 21 HD11 LEU 21 -2.292 0.331 8.726 161 HD12 LEU 21 HD12 LEU 21 -1.955 -0.814 10.038 162 HD13 LEU 21 HD13 LEU 21 -3.542 -0.803 9.249 163 HD21 LEU 21 HD21 LEU 21 -0.222 -0.452 7.856 164 HD22 LEU 21 HD22 LEU 21 -0.115 -1.957 6.936 165 HD23 LEU 21 HD23 LEU 21 0.087 -1.965 8.707 166 H GLY 22 HN GLY 22 -3.362 -6.456 7.995 167 HA2 GLY 22 HA1 GLY 22 -1.236 -7.669 9.728 168 HA3 GLY 22 HA2 GLY 22 -2.968 -7.932 9.901 169 H ALA 23 HN ALA 23 -2.052 -7.841 6.601 170 HA ALA 23 HA ALA 23 -1.506 -10.768 6.461 171 HB1 ALA 23 HB1 ALA 23 -3.856 -10.768 6.345 172 HB2 ALA 23 HB2 ALA 23 -3.882 -9.337 5.308 173 HB3 ALA 23 HB3 ALA 23 -3.299 -10.893 4.661 174 H LEU 24 HN LEU 24 -1.132 -7.567 5.039 175 HA LEU 24 HA LEU 24 0.452 -8.746 2.819 176 HB2 LEU 24 HB2 LEU 24 -1.253 -6.743 2.619 177 HB3 LEU 24 HB3 LEU 24 0.025 -5.814 3.394 178 HG LEU 24 HG LEU 24 1.518 -6.902 1.408 179 HD11 LEU 24 HD11 LEU 24 -0.243 -8.300 0.492 180 HD12 LEU 24 HD12 LEU 24 0.186 -7.029 -0.666 181 HD13 LEU 24 HD13 LEU 24 -1.308 -6.888 0.273 182 HD21 LEU 24 HD21 LEU 24 1.351 -4.562 1.668 183 HD22 LEU 24 HD22 LEU 24 -0.377 -4.535 1.174 184 HD23 LEU 24 HD23 LEU 24 0.903 -4.892 0.004 185 H ALA 25 HN ALA 25 0.992 -8.659 5.959 186 HA ALA 25 HA ALA 25 3.525 -7.066 5.879 187 HB1 ALA 25 HB1 ALA 25 3.030 -6.511 8.169 188 HB2 ALA 25 HB2 ALA 25 1.585 -6.149 7.189 189 HB3 ALA 25 HB3 ALA 25 1.635 -7.602 8.191 190 HA PRO 26 HA PRO 26 4.755 -11.334 7.391 191 HB2 PRO 26 HB2 PRO 26 5.913 -12.436 5.147 192 HB3 PRO 26 HB3 PRO 26 4.222 -12.744 5.655 193 HG2 PRO 26 HG2 PRO 26 5.197 -10.761 3.596 194 HG3 PRO 26 HG3 PRO 26 3.846 -11.916 3.459 195 HD2 PRO 26 HD2 PRO 26 3.497 -9.301 4.116 196 HD3 PRO 26 HD3 PRO 26 2.483 -10.584 4.832 197 H TYR 27 HN TYR 27 6.073 -8.900 5.074 198 HA TYR 27 HA TYR 27 8.812 -9.468 6.087 199 HB2 TYR 27 HB2 TYR 27 7.801 -8.088 3.584 200 HB3 TYR 27 HB3 TYR 27 9.504 -8.302 4.019 201 HD1 TYR 27 HD1 TYR 27 10.313 -10.706 4.515 202 HD2 TYR 27 HD2 TYR 27 6.752 -9.803 2.268 203 HE1 TYR 27 HE1 TYR 27 10.223 -13.030 3.748 204 HE2 TYR 27 HE2 TYR 27 6.613 -12.168 1.526 205 HH TYR 27 HH TYR 27 8.895 -14.640 2.783 206 H ALA 28 HN ALA 28 6.455 -6.774 5.767 207 HA ALA 28 HA ALA 28 8.123 -5.312 7.677 208 HB1 ALA 28 HB1 ALA 28 8.853 -4.342 5.569 209 HB2 ALA 28 HB2 ALA 28 7.158 -4.111 5.041 210 HB3 ALA 28 HB3 ALA 28 7.806 -3.196 6.419 211 H VAL 29 HN VAL 29 6.880 -4.268 9.118 212 HA VAL 29 HA VAL 29 3.941 -4.502 8.805 213 HB VAL 29 HB VAL 29 5.489 -4.490 11.406 214 HG11 VAL 29 HG11 VAL 29 3.386 -5.442 12.237 215 HG12 VAL 29 HG12 VAL 29 3.047 -3.942 11.350 216 HG13 VAL 29 HG13 VAL 29 2.727 -5.504 10.585 217 HG21 VAL 29 HG21 VAL 29 6.275 -6.508 10.210 218 HG22 VAL 29 HG22 VAL 29 5.145 -6.952 11.485 219 HG23 VAL 29 HG23 VAL 29 4.606 -6.939 9.798 220 H LEU 30 HN LEU 30 3.343 -2.581 8.024 221 HA LEU 30 HA LEU 30 4.536 -0.022 8.775 222 HB2 LEU 30 HB2 LEU 30 1.962 -0.682 7.346 223 HB3 LEU 30 HB3 LEU 30 2.758 0.881 7.326 224 HG LEU 30 HG LEU 30 3.969 -1.644 6.114 225 HD11 LEU 30 HD11 LEU 30 1.755 -1.024 5.159 226 HD12 LEU 30 HD12 LEU 30 3.096 -0.900 4.018 227 HD13 LEU 30 HD13 LEU 30 2.434 0.580 4.749 228 HD21 LEU 30 HD21 LEU 30 5.669 -0.003 6.578 229 HD22 LEU 30 HD22 LEU 30 4.693 1.307 5.905 230 HD23 LEU 30 HD23 LEU 30 5.336 0.028 4.843 231 H SER 31 HN SER 31 2.796 1.783 9.406 232 HA SER 31 HA SER 31 0.764 0.679 11.250 233 HB2 SER 31 HB2 SER 31 2.828 1.756 12.363 234 HB3 SER 31 HB3 SER 31 2.193 3.303 11.759 235 HG SER 31 HG SER 31 1.483 2.441 13.957 236 H SER 32 HN SER 32 -0.844 2.468 11.761 237 HA SER 32 HA SER 32 -2.283 2.764 9.338 238 HB2 SER 32 HB2 SER 32 -2.863 3.806 12.128 239 HB3 SER 32 HB3 SER 32 -4.022 3.777 10.786 240 HG SER 32 HG SER 32 -2.720 1.571 12.062 241 H SER 33 HN SER 33 -0.302 5.156 11.082 242 HA SER 33 HA SER 33 -1.322 7.325 9.415 243 HB2 SER 33 HB2 SER 33 -0.422 7.719 11.680 244 HB3 SER 33 HB3 SER 33 1.177 7.181 11.143 245 HG SER 33 HG SER 33 -0.088 9.187 9.639 246 H ASN 34 HN ASN 34 1.183 4.816 9.068 247 HA ASN 34 HA ASN 34 2.604 6.218 6.953 248 HB2 ASN 34 HB2 ASN 34 2.458 3.206 7.438 249 HB3 ASN 34 HB3 ASN 34 3.628 4.057 6.436 250 HD21 ASN 34 HD21 ASN 34 4.935 5.798 7.593 251 HD22 ASN 34 HD22 ASN 34 5.376 5.497 9.267 252 H VAL 35 HN VAL 35 0.020 3.746 7.125 253 HA VAL 35 HA VAL 35 -0.179 3.657 4.244 254 HB VAL 35 HB VAL 35 -2.016 2.468 6.363 255 HG11 VAL 35 HG11 VAL 35 -2.671 0.932 4.462 256 HG12 VAL 35 HG12 VAL 35 -3.153 2.608 4.184 257 HG13 VAL 35 HG13 VAL 35 -1.731 1.965 3.363 258 HG21 VAL 35 HG21 VAL 35 -0.816 0.351 5.775 259 HG22 VAL 35 HG22 VAL 35 0.282 1.280 4.736 260 HG23 VAL 35 HG23 VAL 35 0.276 1.536 6.495 261 H ARG 36 HN ARG 36 -1.705 4.566 2.917 262 HA ARG 36 HA ARG 36 -3.901 6.167 4.151 263 HB2 ARG 36 HB2 ARG 36 -1.734 7.165 2.405 264 HB3 ARG 36 HB3 ARG 36 -3.336 7.533 1.769 265 HG2 ARG 36 HG2 ARG 36 -2.678 8.064 4.682 266 HG3 ARG 36 HG3 ARG 36 -2.109 9.176 3.448 267 HD2 ARG 36 HD2 ARG 36 -5.014 8.378 3.346 268 HD3 ARG 36 HD3 ARG 36 -4.491 9.477 4.646 269 HE ARG 36 HE ARG 36 -3.383 10.599 2.426 270 HH11 ARG 36 HH11 ARG 36 -6.699 9.902 3.525 271 HH12 ARG 36 HH12 ARG 36 -7.446 11.105 2.542 272 HH21 ARG 36 HH21 ARG 36 -4.306 12.364 1.358 273 HH22 ARG 36 HH22 ARG 36 -5.997 12.657 1.368 274 H VAL 37 HN VAL 37 -5.686 5.115 3.668 275 HA VAL 37 HA VAL 37 -6.066 3.931 0.964 276 HB VAL 37 HB VAL 37 -7.452 3.084 3.549 277 HG11 VAL 37 HG11 VAL 37 -7.564 1.892 0.737 278 HG12 VAL 37 HG12 VAL 37 -8.369 1.256 2.183 279 HG13 VAL 37 HG13 VAL 37 -8.860 2.813 1.525 280 HG21 VAL 37 HG21 VAL 37 -5.228 1.719 1.984 281 HG22 VAL 37 HG22 VAL 37 -5.233 2.220 3.692 282 HG23 VAL 37 HG23 VAL 37 -6.259 0.890 3.165 283 H ILE 38 HN ILE 38 -6.989 5.698 -0.055 284 HA ILE 38 HA ILE 38 -8.691 7.572 1.430 285 HB ILE 38 HB ILE 38 -8.096 7.377 -1.553 286 HG12 ILE 38 HG12 ILE 38 -6.801 9.141 0.562 287 HG13 ILE 38 HG13 ILE 38 -6.028 7.794 -0.276 288 HG21 ILE 38 HG21 ILE 38 -9.259 9.686 0.094 289 HG22 ILE 38 HG22 ILE 38 -8.991 9.673 -1.660 290 HG23 ILE 38 HG23 ILE 38 -10.209 8.620 -0.975 291 HD11 ILE 38 HD11 ILE 38 -6.406 9.020 -2.461 292 HD12 ILE 38 HD12 ILE 38 -6.884 10.439 -1.497 293 HD13 ILE 38 HD13 ILE 38 -5.256 9.777 -1.334 294 H LYS 39 HN LYS 39 -10.879 7.251 1.698 295 HA LYS 39 HA LYS 39 -12.198 5.092 0.191 296 HB2 LYS 39 HB2 LYS 39 -13.106 6.806 2.513 297 HB3 LYS 39 HB3 LYS 39 -14.104 5.573 1.747 298 HG2 LYS 39 HG2 LYS 39 -12.625 3.794 2.377 299 HG3 LYS 39 HG3 LYS 39 -11.352 4.917 2.883 300 HD2 LYS 39 HD2 LYS 39 -12.770 5.744 4.716 301 HD3 LYS 39 HD3 LYS 39 -14.037 4.564 4.269 302 HE2 LYS 39 HE2 LYS 39 -12.485 2.710 4.645 303 HE3 LYS 39 HE3 LYS 39 -11.153 3.819 4.954 304 HZ1 LYS 39 HZ1 LYS 39 -12.056 2.935 6.985 305 HZ2 LYS 39 HZ2 LYS 39 -13.555 3.486 6.666 306 HZ3 LYS 39 HZ3 LYS 39 -12.331 4.556 6.947 307 H ASP 40 HN ASP 40 -14.114 5.395 -1.004 308 HA ASP 40 HA ASP 40 -14.246 7.824 -2.550 309 HB2 ASP 40 HB2 ASP 40 -15.035 5.138 -2.880 310 HB3 ASP 40 HB3 ASP 40 -16.552 6.034 -2.812 311 H LYS 41 HN LYS 41 -16.106 6.465 0.100 312 HA LYS 41 HA LYS 41 -17.165 7.519 1.850 313 HB2 LYS 41 HB2 LYS 41 -16.763 10.235 0.568 314 HB3 LYS 41 HB3 LYS 41 -17.030 9.847 2.256 315 HG2 LYS 41 HG2 LYS 41 -14.771 8.697 2.292 316 HG3 LYS 41 HG3 LYS 41 -14.540 9.264 0.626 317 HD2 LYS 41 HD2 LYS 41 -14.688 11.603 1.319 318 HD3 LYS 41 HD3 LYS 41 -15.031 11.092 2.972 319 HE2 LYS 41 HE2 LYS 41 -12.746 11.766 2.833 320 HE3 LYS 41 HE3 LYS 41 -12.836 10.041 3.170 321 HZ1 LYS 41 HZ1 LYS 41 -11.161 10.478 1.567 322 HZ2 LYS 41 HZ2 LYS 41 -12.190 11.301 0.582 323 HZ3 LYS 41 HZ3 LYS 41 -12.368 9.673 0.782 324 H GLN 42 HN GLN 42 -18.217 8.327 -1.386 325 HA GLN 42 HA GLN 42 -20.981 8.667 -0.538 326 HB2 GLN 42 HB2 GLN 42 -19.512 8.451 -3.064 327 HB3 GLN 42 HB3 GLN 42 -21.062 7.613 -3.084 328 HG2 GLN 42 HG2 GLN 42 -21.393 9.877 -3.832 329 HG3 GLN 42 HG3 GLN 42 -22.193 9.672 -2.282 330 HE21 GLN 42 HE21 GLN 42 -21.112 10.741 -0.288 331 HE22 GLN 42 HE22 GLN 42 -19.937 11.988 -0.606 332 H THR 43 HN THR 43 -19.311 5.788 -2.107 333 HA THR 43 HA THR 43 -21.387 4.108 -0.949 334 HB THR 43 HB THR 43 -20.228 2.443 -2.446 335 HG1 THR 43 HG1 THR 43 -18.614 3.385 -3.833 336 HG21 THR 43 HG21 THR 43 -20.903 3.496 -4.495 337 HG22 THR 43 HG22 THR 43 -20.669 5.129 -3.828 338 HG23 THR 43 HG23 THR 43 -22.001 4.097 -3.250 339 H GLN 44 HN GLN 44 -18.920 5.332 0.568 340 HA GLN 44 HA GLN 44 -17.479 4.927 2.149 341 HB2 GLN 44 HB2 GLN 44 -18.887 2.319 2.810 342 HB3 GLN 44 HB3 GLN 44 -17.848 3.279 3.857 343 HG2 GLN 44 HG2 GLN 44 -20.630 3.918 2.892 344 HG3 GLN 44 HG3 GLN 44 -20.069 3.744 4.556 345 HE21 GLN 44 HE21 GLN 44 -21.194 5.998 2.564 346 HE22 GLN 44 HE22 GLN 44 -20.167 7.381 2.845 347 H LEU 45 HN LEU 45 -17.523 2.759 -0.433 348 HA LEU 45 HA LEU 45 -15.523 0.931 0.196 349 HB2 LEU 45 HB2 LEU 45 -16.016 2.265 -2.501 350 HB3 LEU 45 HB3 LEU 45 -15.224 0.717 -2.244 351 HG LEU 45 HG LEU 45 -18.143 1.322 -1.658 352 HD11 LEU 45 HD11 LEU 45 -18.637 -0.055 -3.582 353 HD12 LEU 45 HD12 LEU 45 -16.904 -0.298 -3.877 354 HD13 LEU 45 HD13 LEU 45 -17.603 1.322 -4.027 355 HD21 LEU 45 HD21 LEU 45 -18.267 -1.212 -1.424 356 HD22 LEU 45 HD22 LEU 45 -17.504 -0.343 -0.089 357 HD23 LEU 45 HD23 LEU 45 -16.504 -1.201 -1.257 358 H ASN 46 HN ASN 46 -13.335 0.871 -0.936 359 HA ASN 46 HA ASN 46 -11.768 3.268 -0.337 360 HB2 ASN 46 HB2 ASN 46 -10.651 0.956 -1.884 361 HB3 ASN 46 HB3 ASN 46 -9.871 2.131 -0.812 362 HD21 ASN 46 HD21 ASN 46 -10.410 -1.055 -0.969 363 HD22 ASN 46 HD22 ASN 46 -10.940 -1.288 0.678 364 H ARG 47 HN ARG 47 -10.143 3.908 -2.241 365 HA ARG 47 HA ARG 47 -11.667 4.362 -4.746 366 HB2 ARG 47 HB2 ARG 47 -8.872 5.280 -3.947 367 HB3 ARG 47 HB3 ARG 47 -9.777 5.748 -5.388 368 HG2 ARG 47 HG2 ARG 47 -11.476 6.312 -3.122 369 HG3 ARG 47 HG3 ARG 47 -9.856 6.883 -2.750 370 HD2 ARG 47 HD2 ARG 47 -10.853 8.692 -3.781 371 HD3 ARG 47 HD3 ARG 47 -9.856 8.002 -5.057 372 HE ARG 47 HE ARG 47 -12.527 6.883 -5.100 373 HH11 ARG 47 HH11 ARG 47 -10.792 9.863 -6.046 374 HH12 ARG 47 HH12 ARG 47 -12.137 10.435 -6.999 375 HH21 ARG 47 HH21 ARG 47 -14.131 7.567 -6.296 376 HH22 ARG 47 HH22 ARG 47 -14.068 8.986 -7.292 377 H GLY 48 HN GLY 48 -9.495 1.963 -3.597 378 HA2 GLY 48 HA1 GLY 48 -9.089 0.025 -4.722 379 HA3 GLY 48 HA2 GLY 48 -9.324 0.827 -6.269 380 H PHE 49 HN PHE 49 -7.257 2.599 -4.254 381 HA PHE 49 HA PHE 49 -4.759 1.194 -4.814 382 HB2 PHE 49 HB2 PHE 49 -3.676 3.324 -5.519 383 HB3 PHE 49 HB3 PHE 49 -4.776 2.634 -6.693 384 HD1 PHE 49 HD1 PHE 49 -6.906 3.689 -7.213 385 HD2 PHE 49 HD2 PHE 49 -4.179 5.408 -4.378 386 HE1 PHE 49 HE1 PHE 49 -8.230 5.803 -7.229 387 HE2 PHE 49 HE2 PHE 49 -5.546 7.522 -4.354 388 HZ PHE 49 HZ PHE 49 -7.564 7.701 -5.777 389 H ALA 50 HN ALA 50 -3.032 2.224 -3.377 390 HA ALA 50 HA ALA 50 -4.045 3.746 -1.105 391 HB1 ALA 50 HB1 ALA 50 -2.818 0.976 -0.664 392 HB2 ALA 50 HB2 ALA 50 -3.247 2.142 0.593 393 HB3 ALA 50 HB3 ALA 50 -4.526 1.404 -0.392 394 H PHE 51 HN PHE 51 -2.004 4.043 0.457 395 HA PHE 51 HA PHE 51 0.439 4.417 -1.155 396 HB2 PHE 51 HB2 PHE 51 -0.841 6.488 0.647 397 HB3 PHE 51 HB3 PHE 51 0.597 6.687 -0.318 398 HD1 PHE 51 HD1 PHE 51 -3.094 6.568 -0.376 399 HD2 PHE 51 HD2 PHE 51 0.485 7.191 -2.689 400 HE1 PHE 51 HE1 PHE 51 -4.445 7.518 -2.197 401 HE2 PHE 51 HE2 PHE 51 -0.865 8.060 -4.550 402 HZ PHE 51 HZ PHE 51 -3.336 8.264 -4.322 403 H ILE 52 HN ILE 52 2.238 4.820 0.236 404 HA ILE 52 HA ILE 52 2.071 4.184 3.125 405 HB ILE 52 HB ILE 52 4.112 3.133 1.160 406 HG12 ILE 52 HG12 ILE 52 1.934 1.612 2.649 407 HG13 ILE 52 HG13 ILE 52 1.971 1.917 0.914 408 HG21 ILE 52 HG21 ILE 52 5.134 1.962 2.988 409 HG22 ILE 52 HG22 ILE 52 5.052 3.645 3.392 410 HG23 ILE 52 HG23 ILE 52 3.872 2.528 4.126 411 HD11 ILE 52 HD11 ILE 52 2.622 -0.392 1.507 412 HD12 ILE 52 HD12 ILE 52 3.856 0.471 0.575 413 HD13 ILE 52 HD13 ILE 52 4.062 0.212 2.315 414 H GLN 53 HN GLN 53 3.037 5.842 4.225 415 HA GLN 53 HA GLN 53 4.955 7.623 2.811 416 HB2 GLN 53 HB2 GLN 53 2.694 8.166 4.793 417 HB3 GLN 53 HB3 GLN 53 4.126 9.178 4.787 418 HG2 GLN 53 HG2 GLN 53 2.605 10.374 3.559 419 HG3 GLN 53 HG3 GLN 53 3.774 9.743 2.404 420 HE21 GLN 53 HE21 GLN 53 3.089 7.683 1.218 421 HE22 GLN 53 HE22 GLN 53 1.421 7.701 0.714 422 H LEU 54 HN LEU 54 6.918 6.816 3.446 423 HA LEU 54 HA LEU 54 7.383 6.199 6.319 424 HB2 LEU 54 HB2 LEU 54 7.778 4.634 3.875 425 HB3 LEU 54 HB3 LEU 54 9.295 4.817 4.715 426 HG LEU 54 HG LEU 54 6.735 3.712 5.943 427 HD11 LEU 54 HD11 LEU 54 7.703 2.195 4.253 428 HD12 LEU 54 HD12 LEU 54 7.906 1.549 5.874 429 HD13 LEU 54 HD13 LEU 54 9.293 2.291 5.046 430 HD21 LEU 54 HD21 LEU 54 9.558 4.087 7.029 431 HD22 LEU 54 HD22 LEU 54 8.437 2.919 7.710 432 HD23 LEU 54 HD23 LEU 54 8.024 4.640 7.730 433 H SER 55 HN SER 55 10.044 6.069 6.401 434 HA SER 55 HA SER 55 11.114 8.730 5.881 435 HB2 SER 55 HB2 SER 55 11.825 6.402 7.396 436 HB3 SER 55 HB3 SER 55 13.085 6.583 6.181 437 HG SER 55 HG SER 55 13.729 7.751 7.842 438 H THR 56 HN THR 56 12.984 9.044 4.341 439 HA THR 56 HA THR 56 12.551 8.050 1.746 440 HB THR 56 HB THR 56 14.777 8.984 1.225 441 HG1 THR 56 HG1 THR 56 16.064 9.845 2.715 442 HG21 THR 56 HG21 THR 56 12.776 10.449 1.423 443 HG22 THR 56 HG22 THR 56 14.284 11.296 1.810 444 HG23 THR 56 HG23 THR 56 13.183 10.784 3.106 445 H ILE 57 HN ILE 57 15.201 7.228 3.926 446 HA ILE 57 HA ILE 57 16.236 5.022 2.601 447 HB ILE 57 HB ILE 57 16.088 5.516 5.596 448 HG12 ILE 57 HG12 ILE 57 17.069 7.456 4.480 449 HG13 ILE 57 HG13 ILE 57 18.245 6.593 5.451 450 HG21 ILE 57 HG21 ILE 57 18.212 4.185 5.670 451 HG22 ILE 57 HG22 ILE 57 16.780 3.248 5.273 452 HG23 ILE 57 HG23 ILE 57 17.914 3.704 3.986 453 HD11 ILE 57 HD11 ILE 57 19.237 5.577 3.456 454 HD12 ILE 57 HD12 ILE 57 17.994 6.316 2.414 455 HD13 ILE 57 HD13 ILE 57 19.164 7.321 3.253 456 H GLU 58 HN GLU 58 13.904 4.834 5.353 457 HA GLU 58 HA GLU 58 13.756 2.099 5.372 458 HB2 GLU 58 HB2 GLU 58 11.413 3.906 5.943 459 HB3 GLU 58 HB3 GLU 58 11.656 2.291 6.607 460 HG2 GLU 58 HG2 GLU 58 13.367 4.734 7.220 461 HG3 GLU 58 HG3 GLU 58 11.988 4.184 8.169 462 H ALA 59 HN ALA 59 11.646 4.377 3.530 463 HA ALA 59 HA ALA 59 9.910 2.473 2.370 464 HB1 ALA 59 HB1 ALA 59 9.531 4.296 0.662 465 HB2 ALA 59 HB2 ALA 59 9.447 4.912 2.325 466 HB3 ALA 59 HB3 ALA 59 10.890 5.187 1.355 467 H ALA 60 HN ALA 60 12.864 4.060 1.088 468 HA ALA 60 HA ALA 60 12.908 2.865 -1.438 469 HB1 ALA 60 HB1 ALA 60 15.219 3.867 0.297 470 HB2 ALA 60 HB2 ALA 60 15.265 3.615 -1.457 471 HB3 ALA 60 HB3 ALA 60 14.207 4.853 -0.784 472 H GLN 61 HN GLN 61 14.526 1.856 1.574 473 HA GLN 61 HA GLN 61 15.920 -0.443 0.644 474 HB2 GLN 61 HB2 GLN 61 14.776 0.352 3.361 475 HB3 GLN 61 HB3 GLN 61 15.658 -1.152 3.105 476 HG2 GLN 61 HG2 GLN 61 17.601 0.118 2.272 477 HG3 GLN 61 HG3 GLN 61 16.791 1.640 2.640 478 HE21 GLN 61 HE21 GLN 61 19.113 1.580 3.979 479 HE22 GLN 61 HE22 GLN 61 19.010 0.834 5.542 480 H LEU 62 HN LEU 62 12.706 -0.228 2.262 481 HA LEU 62 HA LEU 62 12.128 -2.990 2.121 482 HB2 LEU 62 HB2 LEU 62 11.023 -1.445 3.602 483 HB3 LEU 62 HB3 LEU 62 10.382 -0.500 2.272 484 HG LEU 62 HG LEU 62 8.829 -1.976 3.529 485 HD11 LEU 62 HD11 LEU 62 7.436 -2.568 1.679 486 HD12 LEU 62 HD12 LEU 62 8.771 -2.343 0.543 487 HD13 LEU 62 HD13 LEU 62 8.159 -0.975 1.488 488 HD21 LEU 62 HD21 LEU 62 8.594 -4.329 3.049 489 HD22 LEU 62 HD22 LEU 62 10.233 -4.028 3.655 490 HD23 LEU 62 HD23 LEU 62 9.950 -4.300 1.925 491 H LEU 63 HN LEU 63 11.448 -0.360 -0.181 492 HA LEU 63 HA LEU 63 9.765 -1.865 -1.895 493 HB2 LEU 63 HB2 LEU 63 10.023 0.627 -1.980 494 HB3 LEU 63 HB3 LEU 63 11.637 0.418 -2.634 495 HG LEU 63 HG LEU 63 9.988 -1.151 -4.341 496 HD11 LEU 63 HD11 LEU 63 8.195 0.251 -5.097 497 HD12 LEU 63 HD12 LEU 63 8.615 1.506 -3.913 498 HD13 LEU 63 HD13 LEU 63 7.989 -0.076 -3.376 499 HD21 LEU 63 HD21 LEU 63 11.911 0.103 -5.083 500 HD22 LEU 63 HD22 LEU 63 11.119 1.643 -4.680 501 HD23 LEU 63 HD23 LEU 63 10.494 0.632 -5.998 502 H GLN 64 HN GLN 64 13.332 -1.630 -1.711 503 HA GLN 64 HA GLN 64 13.855 -3.005 -4.187 504 HB2 GLN 64 HB2 GLN 64 15.454 -3.125 -1.603 505 HB3 GLN 64 HB3 GLN 64 16.041 -3.588 -3.198 506 HG2 GLN 64 HG2 GLN 64 15.615 -0.830 -2.073 507 HG3 GLN 64 HG3 GLN 64 17.092 -1.600 -2.553 508 HE21 GLN 64 HE21 GLN 64 13.942 -0.669 -4.097 509 HE22 GLN 64 HE22 GLN 64 14.742 0.092 -5.474 510 H ILE 65 HN ILE 65 13.216 -4.128 -0.843 511 HA ILE 65 HA ILE 65 13.697 -6.915 -1.295 512 HB ILE 65 HB ILE 65 11.896 -5.578 0.762 513 HG12 ILE 65 HG12 ILE 65 14.793 -6.485 1.028 514 HG13 ILE 65 HG13 ILE 65 14.290 -4.812 0.836 515 HG21 ILE 65 HG21 ILE 65 13.079 -8.359 0.795 516 HG22 ILE 65 HG22 ILE 65 12.045 -7.637 2.038 517 HG23 ILE 65 HG23 ILE 65 11.388 -7.974 0.438 518 HD11 ILE 65 HD11 ILE 65 12.972 -4.983 2.963 519 HD12 ILE 65 HD12 ILE 65 13.709 -6.584 3.220 520 HD13 ILE 65 HD13 ILE 65 14.729 -5.141 3.136 521 H LEU 66 HN LEU 66 10.657 -5.006 -1.250 522 HA LEU 66 HA LEU 66 8.907 -6.900 -2.180 523 HB2 LEU 66 HB2 LEU 66 8.903 -3.924 -2.744 524 HB3 LEU 66 HB3 LEU 66 7.584 -4.993 -3.195 525 HG LEU 66 HG LEU 66 8.525 -4.459 -0.358 526 HD11 LEU 66 HD11 LEU 66 5.954 -3.736 -1.845 527 HD12 LEU 66 HD12 LEU 66 7.253 -2.604 -1.414 528 HD13 LEU 66 HD13 LEU 66 6.299 -3.387 -0.142 529 HD21 LEU 66 HD21 LEU 66 6.241 -6.217 -1.352 530 HD22 LEU 66 HD22 LEU 66 6.555 -5.755 0.348 531 HD23 LEU 66 HD23 LEU 66 7.706 -6.764 -0.513 532 H GLN 67 HN GLN 67 11.382 -5.421 -4.163 533 HA GLN 67 HA GLN 67 10.069 -6.520 -6.588 534 HB2 GLN 67 HB2 GLN 67 12.212 -4.398 -6.227 535 HB3 GLN 67 HB3 GLN 67 11.680 -5.054 -7.793 536 HG2 GLN 67 HG2 GLN 67 9.316 -4.429 -7.227 537 HG3 GLN 67 HG3 GLN 67 9.896 -3.667 -5.744 538 HE21 GLN 67 HE21 GLN 67 8.934 -1.720 -6.471 539 HE22 GLN 67 HE22 GLN 67 9.548 -0.825 -7.820 540 H ALA 68 HN ALA 68 11.837 -7.868 -4.401 541 HA ALA 68 HA ALA 68 13.552 -9.373 -6.337 542 HB1 ALA 68 HB1 ALA 68 14.056 -8.552 -3.447 543 HB2 ALA 68 HB2 ALA 68 15.039 -9.741 -4.310 544 HB3 ALA 68 HB3 ALA 68 14.941 -8.074 -4.910 545 H LEU 69 HN LEU 69 11.400 -9.585 -3.569 546 HA LEU 69 HA LEU 69 11.864 -12.388 -3.044 547 HB2 LEU 69 HB2 LEU 69 10.537 -12.074 -1.118 548 HB3 LEU 69 HB3 LEU 69 11.743 -10.847 -1.269 549 HG LEU 69 HG LEU 69 10.326 -9.284 -1.063 550 HD11 LEU 69 HD11 LEU 69 9.707 -8.933 -3.339 551 HD12 LEU 69 HD12 LEU 69 8.239 -8.816 -2.373 552 HD13 LEU 69 HD13 LEU 69 8.539 -10.230 -3.321 553 HD21 LEU 69 HD21 LEU 69 8.056 -9.679 -0.268 554 HD22 LEU 69 HD22 LEU 69 9.239 -10.798 0.441 555 HD23 LEU 69 HD23 LEU 69 8.153 -11.371 -0.855 556 H HIS 70 HN HIS 70 9.433 -13.281 -2.113 557 HA HIS 70 HA HIS 70 7.954 -14.121 -4.426 558 HB2 HIS 70 HB2 HIS 70 7.835 -14.558 -1.449 559 HB3 HIS 70 HB3 HIS 70 6.341 -14.789 -2.331 560 HD1 HIS 70 HD1 HIS 70 6.200 -16.881 -4.077 561 HD2 HIS 70 HD2 HIS 70 9.811 -16.377 -1.931 562 HE1 HIS 70 HE1 HIS 70 7.518 -19.001 -4.396 563 HA PRO 71 HA PRO 71 5.030 -10.931 -4.845 564 HB2 PRO 71 HB2 PRO 71 2.699 -12.291 -5.574 565 HB3 PRO 71 HB3 PRO 71 4.104 -11.988 -6.622 566 HG2 PRO 71 HG2 PRO 71 3.455 -14.455 -4.986 567 HG3 PRO 71 HG3 PRO 71 4.017 -14.387 -6.684 568 HD2 PRO 71 HD2 PRO 71 5.715 -14.898 -4.628 569 HD3 PRO 71 HD3 PRO 71 6.252 -13.871 -5.991 570 HA PRO 72 HA PRO 72 2.724 -10.225 -1.286 571 HB2 PRO 72 HB2 PRO 72 0.548 -8.704 -2.111 572 HB3 PRO 72 HB3 PRO 72 2.229 -8.136 -1.895 573 HG2 PRO 72 HG2 PRO 72 0.771 -8.991 -4.410 574 HG3 PRO 72 HG3 PRO 72 1.880 -7.597 -4.200 575 HD2 PRO 72 HD2 PRO 72 2.680 -9.947 -5.323 576 HD3 PRO 72 HD3 PRO 72 3.774 -8.976 -4.294 577 H LEU 73 HN LEU 73 1.269 -11.046 0.036 578 HA LEU 73 HA LEU 73 -0.565 -13.179 -0.731 579 HB2 LEU 73 HB2 LEU 73 0.860 -13.206 1.269 580 HB3 LEU 73 HB3 LEU 73 -0.064 -11.876 1.942 581 HG LEU 73 HG LEU 73 -0.597 -14.275 2.705 582 HD11 LEU 73 HD11 LEU 73 -2.664 -12.376 1.670 583 HD12 LEU 73 HD12 LEU 73 -2.060 -12.533 3.316 584 HD13 LEU 73 HD13 LEU 73 -3.124 -13.784 2.620 585 HD21 LEU 73 HD21 LEU 73 -2.223 -14.488 0.136 586 HD22 LEU 73 HD22 LEU 73 -2.056 -15.670 1.431 587 HD23 LEU 73 HD23 LEU 73 -0.672 -15.313 0.388 588 H THR 74 HN THR 74 -2.535 -12.955 -1.323 589 HA THR 74 HA THR 74 -3.855 -10.316 -1.400 590 HB THR 74 HB THR 74 -4.324 -11.303 -3.396 591 HG1 THR 74 HG1 THR 74 -6.334 -12.347 -3.303 592 HG21 THR 74 HG21 THR 74 -3.306 -13.254 -3.493 593 HG22 THR 74 HG22 THR 74 -5.017 -13.758 -3.578 594 HG23 THR 74 HG23 THR 74 -4.145 -13.932 -2.056 595 H ILE 75 HN ILE 75 -5.725 -9.855 -0.395 596 HA ILE 75 HA ILE 75 -6.497 -11.542 1.935 597 HB ILE 75 HB ILE 75 -6.465 -8.541 2.215 598 HG12 ILE 75 HG12 ILE 75 -4.186 -8.753 3.326 599 HG13 ILE 75 HG13 ILE 75 -3.925 -10.196 2.350 600 HG21 ILE 75 HG21 ILE 75 -7.461 -10.075 3.918 601 HG22 ILE 75 HG22 ILE 75 -5.862 -10.787 4.161 602 HG23 ILE 75 HG23 ILE 75 -6.149 -9.079 4.549 603 HD11 ILE 75 HD11 ILE 75 -4.066 -8.709 0.319 604 HD12 ILE 75 HD12 ILE 75 -4.460 -7.344 1.380 605 HD13 ILE 75 HD13 ILE 75 -2.885 -8.134 1.498 606 H ASP 76 HN ASP 76 -7.726 -11.135 -0.752 607 HA ASP 76 HA ASP 76 -10.374 -11.268 -0.074 608 HB2 ASP 76 HB2 ASP 76 -10.021 -8.583 0.178 609 HB3 ASP 76 HB3 ASP 76 -10.279 -8.628 -1.524 610 H GLY 77 HN GLY 77 -8.433 -12.554 -1.815 611 HA2 GLY 77 HA1 GLY 77 -8.162 -13.404 -3.876 612 HA3 GLY 77 HA2 GLY 77 -9.840 -12.930 -4.225 613 H LYS 78 HN LYS 78 -7.668 -10.348 -3.408 614 HA LYS 78 HA LYS 78 -7.211 -9.604 -6.242 615 HB2 LYS 78 HB2 LYS 78 -6.835 -7.319 -4.993 616 HB3 LYS 78 HB3 LYS 78 -8.391 -7.805 -5.598 617 HG2 LYS 78 HG2 LYS 78 -8.698 -6.826 -3.542 618 HG3 LYS 78 HG3 LYS 78 -9.093 -8.488 -3.348 619 HD2 LYS 78 HD2 LYS 78 -7.240 -8.855 -1.898 620 HD3 LYS 78 HD3 LYS 78 -6.406 -7.406 -2.487 621 HE2 LYS 78 HE2 LYS 78 -7.771 -5.916 -1.349 622 HE3 LYS 78 HE3 LYS 78 -9.095 -7.069 -1.184 623 HZ1 LYS 78 HZ1 LYS 78 -7.988 -6.535 0.883 624 HZ2 LYS 78 HZ2 LYS 78 -6.617 -7.272 0.384 625 HZ3 LYS 78 HZ3 LYS 78 -8.039 -8.121 0.595 626 H THR 79 HN THR 79 -5.131 -10.378 -6.659 627 HA THR 79 HA THR 79 -3.135 -10.045 -4.584 628 HB THR 79 HB THR 79 -2.648 -10.678 -7.488 629 HG1 THR 79 HG1 THR 79 -3.850 -12.255 -6.130 630 HG21 THR 79 HG21 THR 79 -0.929 -10.834 -4.966 631 HG22 THR 79 HG22 THR 79 -0.644 -9.753 -6.356 632 HG23 THR 79 HG23 THR 79 -0.456 -11.507 -6.547 633 H ILE 80 HN ILE 80 -2.305 -8.257 -3.961 634 HA ILE 80 HA ILE 80 -2.945 -5.729 -5.128 635 HB ILE 80 HB ILE 80 -1.006 -6.574 -2.939 636 HG12 ILE 80 HG12 ILE 80 -3.235 -7.316 -2.316 637 HG13 ILE 80 HG13 ILE 80 -2.773 -5.945 -1.333 638 HG21 ILE 80 HG21 ILE 80 -2.099 -3.801 -3.536 639 HG22 ILE 80 HG22 ILE 80 -1.325 -4.306 -2.001 640 HG23 ILE 80 HG23 ILE 80 -0.401 -4.356 -3.483 641 HD11 ILE 80 HD11 ILE 80 -4.743 -5.956 -3.649 642 HD12 ILE 80 HD12 ILE 80 -5.064 -5.641 -1.927 643 HD13 ILE 80 HD13 ILE 80 -4.162 -4.460 -2.884 644 H ASN 81 HN ASN 81 -1.388 -4.120 -5.752 645 HA ASN 81 HA ASN 81 1.006 -5.112 -7.261 646 HB2 ASN 81 HB2 ASN 81 -1.219 -3.352 -8.053 647 HB3 ASN 81 HB3 ASN 81 0.274 -2.461 -8.061 648 HD21 ASN 81 HD21 ASN 81 -1.166 -5.587 -9.331 649 HD22 ASN 81 HD22 ASN 81 -0.059 -5.613 -10.664 650 H VAL 82 HN VAL 82 2.815 -3.572 -7.255 651 HA VAL 82 HA VAL 82 2.835 -1.619 -4.995 652 HB VAL 82 HB VAL 82 5.283 -3.141 -6.013 653 HG11 VAL 82 HG11 VAL 82 4.782 -1.662 -3.400 654 HG12 VAL 82 HG12 VAL 82 6.307 -2.404 -3.934 655 HG13 VAL 82 HG13 VAL 82 5.677 -1.004 -4.780 656 HG21 VAL 82 HG21 VAL 82 3.586 -3.840 -3.571 657 HG22 VAL 82 HG22 VAL 82 3.771 -4.856 -5.026 658 HG23 VAL 82 HG23 VAL 82 5.163 -4.563 -3.987 659 H GLU 83 HN GLU 83 3.537 0.427 -5.615 660 HA GLU 83 HA GLU 83 5.082 0.741 -8.102 661 HB2 GLU 83 HB2 GLU 83 2.450 2.023 -7.413 662 HB3 GLU 83 HB3 GLU 83 3.686 3.110 -8.004 663 HG2 GLU 83 HG2 GLU 83 4.017 1.645 -9.989 664 HG3 GLU 83 HG3 GLU 83 2.670 0.654 -9.436 665 H PHE 84 HN PHE 84 6.128 2.762 -8.113 666 HA PHE 84 HA PHE 84 6.985 3.667 -5.390 667 HB2 PHE 84 HB2 PHE 84 8.607 2.103 -6.479 668 HB3 PHE 84 HB3 PHE 84 8.784 3.234 -7.794 669 HD1 PHE 84 HD1 PHE 84 8.603 4.365 -4.180 670 HD2 PHE 84 HD2 PHE 84 11.195 3.385 -7.510 671 HE1 PHE 84 HE1 PHE 84 10.540 5.185 -2.931 672 HE2 PHE 84 HE2 PHE 84 13.124 4.224 -6.226 673 HZ PHE 84 HZ PHE 84 12.797 5.097 -3.908 674 H ALA 85 HN ALA 85 6.330 5.718 -5.169 675 HA ALA 85 HA ALA 85 6.489 7.591 -7.489 676 HB1 ALA 85 HB1 ALA 85 4.491 7.579 -5.194 677 HB2 ALA 85 HB2 ALA 85 4.660 8.847 -6.432 678 HB3 ALA 85 HB3 ALA 85 4.164 7.213 -6.911 679 H LYS 86 HN LYS 86 8.746 7.590 -6.775 680 HA LYS 86 HA LYS 86 9.399 8.987 -4.297 681 HB2 LYS 86 HB2 LYS 86 10.778 7.359 -6.081 682 HB3 LYS 86 HB3 LYS 86 11.366 8.961 -6.531 683 HG2 LYS 86 HG2 LYS 86 11.337 7.760 -3.736 684 HG3 LYS 86 HG3 LYS 86 12.660 7.655 -4.846 685 HD2 LYS 86 HD2 LYS 86 12.422 10.399 -4.705 686 HD3 LYS 86 HD3 LYS 86 11.843 9.953 -3.076 687 HE2 LYS 86 HE2 LYS 86 13.938 8.279 -3.206 688 HE3 LYS 86 HE3 LYS 86 14.510 9.329 -4.485 689 HZ1 LYS 86 HZ1 LYS 86 13.886 10.115 -1.725 690 HZ2 LYS 86 HZ2 LYS 86 14.597 11.102 -2.907 691 HZ3 LYS 86 HZ3 LYS 86 15.382 9.830 -2.255 692 H GLY 87 HN GLY 87 10.247 11.242 -4.418 693 HA2 GLY 87 HA1 GLY 87 8.918 13.026 -6.220 694 HA3 GLY 87 HA2 GLY 87 10.331 13.417 -5.220 695 H SER 88 HN SER 88 12.416 12.552 -6.029 696 HA SER 88 HA SER 88 14.086 12.408 -7.471 697 HB2 SER 88 HB2 SER 88 12.058 11.350 -9.361 698 HB3 SER 88 HB3 SER 88 13.793 11.410 -9.690 699 HG SER 88 HG SER 88 13.133 9.405 -8.832 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 3.928 12.079 -4.595 2 HA2 GLY 1 HA1 GLY 1 3.630 12.745 -2.262 3 HA3 GLY 1 HA2 GLY 1 4.399 11.223 -1.793 4 H HIS 2 HN HIS 2 5.217 13.844 -1.101 5 HA HIS 2 HA HIS 2 6.931 15.235 -2.768 6 HB2 HIS 2 HB2 HIS 2 7.004 15.033 0.271 7 HB3 HIS 2 HB3 HIS 2 7.643 16.367 -0.695 8 HD1 HIS 2 HD1 HIS 2 5.454 17.391 -2.427 9 HD2 HIS 2 HD2 HIS 2 4.700 15.608 1.324 10 HE1 HIS 2 HE1 HIS 2 3.144 18.142 -1.741 11 H MET 3 HN MET 3 7.767 12.563 -0.556 12 HA MET 3 HA MET 3 10.272 12.046 -1.990 13 HB2 MET 3 HB2 MET 3 11.368 11.577 0.251 14 HB3 MET 3 HB3 MET 3 11.260 13.273 -0.198 15 HG2 MET 3 HG2 MET 3 9.199 12.015 1.630 16 HG3 MET 3 HG3 MET 3 10.763 12.554 2.243 17 HE1 MET 3 HE1 MET 3 7.742 15.148 3.190 18 HE2 MET 3 HE2 MET 3 7.455 13.474 2.658 19 HE3 MET 3 HE3 MET 3 8.736 13.825 3.841 20 H ASP 4 HN ASP 4 10.477 10.062 -2.217 21 HA ASP 4 HA ASP 4 10.020 7.852 -2.458 22 HB2 ASP 4 HB2 ASP 4 11.003 8.332 0.341 23 HB3 ASP 4 HB3 ASP 4 11.191 6.883 -0.679 24 H THR 5 HN THR 5 7.960 7.541 -2.803 25 HA THR 5 HA THR 5 6.179 6.964 -0.486 26 HB THR 5 HB THR 5 5.583 7.997 -3.277 27 HG1 THR 5 HG1 THR 5 6.513 9.304 -1.336 28 HG21 THR 5 HG21 THR 5 3.647 6.762 -2.603 29 HG22 THR 5 HG22 THR 5 3.281 8.484 -2.411 30 HG23 THR 5 HG23 THR 5 3.670 7.490 -0.992 31 H ILE 6 HN ILE 6 4.872 5.028 -0.754 32 HA ILE 6 HA ILE 6 5.548 3.357 -3.134 33 HB ILE 6 HB ILE 6 4.775 2.312 -0.397 34 HG12 ILE 6 HG12 ILE 6 7.496 2.282 -1.748 35 HG13 ILE 6 HG13 ILE 6 7.052 3.212 -0.313 36 HG21 ILE 6 HG21 ILE 6 5.581 0.864 -2.937 37 HG22 ILE 6 HG22 ILE 6 5.179 0.097 -1.384 38 HG23 ILE 6 HG23 ILE 6 3.945 0.961 -2.290 39 HD11 ILE 6 HD11 ILE 6 7.264 0.205 -0.493 40 HD12 ILE 6 HD12 ILE 6 8.260 1.321 0.449 41 HD13 ILE 6 HD13 ILE 6 6.560 1.073 0.898 42 H ILE 7 HN ILE 7 3.772 2.836 -4.310 43 HA ILE 7 HA ILE 7 1.113 3.795 -3.368 44 HB ILE 7 HB ILE 7 2.061 3.540 -6.266 45 HG12 ILE 7 HG12 ILE 7 1.878 5.903 -4.354 46 HG13 ILE 7 HG13 ILE 7 3.260 5.353 -5.276 47 HG21 ILE 7 HG21 ILE 7 -0.501 4.750 -5.127 48 HG22 ILE 7 HG22 ILE 7 -0.048 4.605 -6.850 49 HG23 ILE 7 HG23 ILE 7 -0.382 3.165 -5.924 50 HD11 ILE 7 HD11 ILE 7 2.236 6.120 -7.355 51 HD12 ILE 7 HD12 ILE 7 0.793 6.685 -6.475 52 HD13 ILE 7 HD13 ILE 7 2.359 7.439 -6.180 53 H LEU 8 HN LEU 8 -0.540 2.275 -3.532 54 HA LEU 8 HA LEU 8 0.251 -0.484 -4.325 55 HB2 LEU 8 HB2 LEU 8 -1.361 0.501 -1.964 56 HB3 LEU 8 HB3 LEU 8 -1.827 -0.995 -2.751 57 HG LEU 8 HG LEU 8 0.396 -1.977 -2.386 58 HD11 LEU 8 HD11 LEU 8 1.843 -0.029 -2.248 59 HD12 LEU 8 HD12 LEU 8 1.939 -0.926 -0.746 60 HD13 LEU 8 HD13 LEU 8 0.976 0.581 -0.820 61 HD21 LEU 8 HD21 LEU 8 -1.504 -2.249 -0.830 62 HD22 LEU 8 HD22 LEU 8 -0.950 -0.864 0.121 63 HD23 LEU 8 HD23 LEU 8 0.056 -2.334 0.016 64 H ARG 9 HN ARG 9 -1.428 -1.659 -5.397 65 HA ARG 9 HA ARG 9 -3.866 -0.130 -6.177 66 HB2 ARG 9 HB2 ARG 9 -2.818 -1.939 -8.281 67 HB3 ARG 9 HB3 ARG 9 -3.710 -0.471 -8.401 68 HG2 ARG 9 HG2 ARG 9 -1.598 0.788 -7.891 69 HG3 ARG 9 HG3 ARG 9 -0.720 -0.691 -7.869 70 HD2 ARG 9 HD2 ARG 9 -0.484 0.273 -10.133 71 HD3 ARG 9 HD3 ARG 9 -1.467 -1.181 -10.235 72 HE ARG 9 HE ARG 9 -3.133 0.092 -11.037 73 HH11 ARG 9 HH11 ARG 9 -0.827 2.320 -9.419 74 HH12 ARG 9 HH12 ARG 9 -1.922 3.668 -9.437 75 HH21 ARG 9 HH21 ARG 9 -4.561 1.978 -11.083 76 HH22 ARG 9 HH22 ARG 9 -4.001 3.492 -10.450 77 H ASN 10 HN ASN 10 -5.373 -1.702 -7.370 78 HA ASN 10 HA ASN 10 -6.795 -3.396 -7.255 79 HB2 ASN 10 HB2 ASN 10 -4.906 -4.450 -8.445 80 HB3 ASN 10 HB3 ASN 10 -4.343 -5.161 -6.959 81 HD21 ASN 10 HD21 ASN 10 -5.200 -7.228 -6.610 82 HD22 ASN 10 HD22 ASN 10 -6.737 -7.817 -7.276 83 H LEU 11 HN LEU 11 -7.000 -2.094 -5.132 84 HA LEU 11 HA LEU 11 -7.015 -3.888 -2.748 85 HB2 LEU 11 HB2 LEU 11 -7.930 -0.996 -3.066 86 HB3 LEU 11 HB3 LEU 11 -7.891 -1.910 -1.571 87 HG LEU 11 HG LEU 11 -5.426 -1.158 -3.219 88 HD11 LEU 11 HD11 LEU 11 -6.634 0.788 -2.232 89 HD12 LEU 11 HD12 LEU 11 -5.009 0.524 -1.581 90 HD13 LEU 11 HD13 LEU 11 -6.451 0.071 -0.626 91 HD21 LEU 11 HD21 LEU 11 -5.607 -2.178 -0.346 92 HD22 LEU 11 HD22 LEU 11 -4.119 -1.808 -1.253 93 HD23 LEU 11 HD23 LEU 11 -5.128 -3.168 -1.732 94 H ASN 12 HN ASN 12 -8.846 -5.168 -2.627 95 HA ASN 12 HA ASN 12 -11.136 -4.797 -4.301 96 HB2 ASN 12 HB2 ASN 12 -10.549 -6.455 -1.863 97 HB3 ASN 12 HB3 ASN 12 -12.223 -6.033 -2.106 98 HD21 ASN 12 HD21 ASN 12 -12.161 -8.593 -2.272 99 HD22 ASN 12 HD22 ASN 12 -12.193 -9.099 -3.916 100 HA PRO 13 HA PRO 13 -13.076 -1.386 -2.477 101 HB2 PRO 13 HB2 PRO 13 -15.735 -1.976 -2.671 102 HB3 PRO 13 HB3 PRO 13 -14.717 -1.535 -4.076 103 HG2 PRO 13 HG2 PRO 13 -15.553 -4.300 -3.165 104 HG3 PRO 13 HG3 PRO 13 -15.534 -3.638 -4.836 105 HD2 PRO 13 HD2 PRO 13 -13.530 -5.187 -3.914 106 HD3 PRO 13 HD3 PRO 13 -13.210 -3.786 -4.987 107 H HIS 14 HN HIS 14 -14.198 -4.588 -1.317 108 HA HIS 14 HA HIS 14 -15.089 -3.415 1.241 109 HB2 HIS 14 HB2 HIS 14 -15.257 -6.189 0.015 110 HB3 HIS 14 HB3 HIS 14 -15.796 -5.821 1.642 111 HD1 HIS 14 HD1 HIS 14 -18.200 -6.741 0.623 112 HD2 HIS 14 HD2 HIS 14 -16.783 -2.993 -0.658 113 HE1 HIS 14 HE1 HIS 14 -20.163 -5.583 -0.495 114 H SER 15 HN SER 15 -12.077 -3.869 0.287 115 HA SER 15 HA SER 15 -11.104 -5.032 2.850 116 HB2 SER 15 HB2 SER 15 -9.686 -4.022 0.336 117 HB3 SER 15 HB3 SER 15 -8.894 -4.647 1.766 118 HG SER 15 HG SER 15 -10.274 -6.629 1.287 119 H THR 16 HN THR 16 -9.629 -3.500 4.118 120 HA THR 16 HA THR 16 -8.937 -1.060 2.776 121 HB THR 16 HB THR 16 -8.780 0.052 5.115 122 HG1 THR 16 HG1 THR 16 -11.060 -1.468 5.740 123 HG21 THR 16 HG21 THR 16 -10.208 0.926 3.395 124 HG22 THR 16 HG22 THR 16 -11.019 0.997 4.962 125 HG23 THR 16 HG23 THR 16 -11.460 -0.265 3.786 126 H MET 17 HN MET 17 -6.902 -0.262 4.339 127 HA MET 17 HA MET 17 -4.847 -2.122 4.392 128 HB2 MET 17 HB2 MET 17 -3.733 -0.368 5.686 129 HB3 MET 17 HB3 MET 17 -4.652 0.289 4.337 130 HG2 MET 17 HG2 MET 17 -6.537 0.725 6.084 131 HG3 MET 17 HG3 MET 17 -5.268 0.498 7.275 132 HE1 MET 17 HE1 MET 17 -4.918 2.745 8.396 133 HE2 MET 17 HE2 MET 17 -3.412 2.074 7.752 134 HE3 MET 17 HE3 MET 17 -3.732 3.813 7.614 135 H ASP 18 HN ASP 18 -7.391 -1.297 6.747 136 HA ASP 18 HA ASP 18 -6.180 -2.544 8.986 137 HB2 ASP 18 HB2 ASP 18 -8.797 -1.438 8.277 138 HB3 ASP 18 HB3 ASP 18 -9.019 -2.945 9.155 139 H SER 19 HN SER 19 -7.742 -3.965 6.186 140 HA SER 19 HA SER 19 -7.526 -6.673 7.449 141 HB2 SER 19 HB2 SER 19 -9.147 -5.996 4.997 142 HB3 SER 19 HB3 SER 19 -9.222 -7.414 6.056 143 HG SER 19 HG SER 19 -9.896 -5.749 7.730 144 H ILE 20 HN ILE 20 -5.421 -4.954 6.036 145 HA ILE 20 HA ILE 20 -4.481 -7.181 4.313 146 HB ILE 20 HB ILE 20 -4.134 -4.237 3.613 147 HG12 ILE 20 HG12 ILE 20 -5.694 -6.362 2.110 148 HG13 ILE 20 HG13 ILE 20 -6.488 -5.275 3.209 149 HG21 ILE 20 HG21 ILE 20 -3.151 -6.850 2.400 150 HG22 ILE 20 HG22 ILE 20 -3.218 -5.380 1.429 151 HG23 ILE 20 HG23 ILE 20 -2.200 -5.451 2.869 152 HD11 ILE 20 HD11 ILE 20 -5.101 -4.444 0.682 153 HD12 ILE 20 HD12 ILE 20 -6.816 -4.322 1.099 154 HD13 ILE 20 HD13 ILE 20 -5.642 -3.320 1.961 155 H LEU 21 HN LEU 21 -3.731 -4.379 6.402 156 HA LEU 21 HA LEU 21 -0.986 -4.869 6.821 157 HB2 LEU 21 HB2 LEU 21 -3.189 -3.992 8.737 158 HB3 LEU 21 HB3 LEU 21 -1.495 -4.027 9.210 159 HG LEU 21 HG LEU 21 -2.382 -2.441 6.767 160 HD11 LEU 21 HD11 LEU 21 -2.583 -0.448 8.164 161 HD12 LEU 21 HD12 LEU 21 -2.260 -1.409 9.632 162 HD13 LEU 21 HD13 LEU 21 -3.742 -1.669 8.693 163 HD21 LEU 21 HD21 LEU 21 -0.372 -1.127 7.242 164 HD22 LEU 21 HD22 LEU 21 0.042 -2.834 7.034 165 HD23 LEU 21 HD23 LEU 21 -0.019 -2.137 8.664 166 H GLY 22 HN GLY 22 -3.816 -6.533 8.323 167 HA2 GLY 22 HA1 GLY 22 -2.179 -8.055 10.102 168 HA3 GLY 22 HA2 GLY 22 -3.903 -8.263 9.797 169 H ALA 23 HN ALA 23 -1.884 -8.520 6.985 170 HA ALA 23 HA ALA 23 -1.543 -11.460 7.184 171 HB1 ALA 23 HB1 ALA 23 -2.805 -11.776 5.009 172 HB2 ALA 23 HB2 ALA 23 -3.843 -11.317 6.377 173 HB3 ALA 23 HB3 ALA 23 -3.374 -10.099 5.178 174 H LEU 24 HN LEU 24 -1.354 -8.518 5.170 175 HA LEU 24 HA LEU 24 0.880 -9.609 3.625 176 HB2 LEU 24 HB2 LEU 24 -1.268 -8.050 2.958 177 HB3 LEU 24 HB3 LEU 24 -0.037 -6.812 3.158 178 HG LEU 24 HG LEU 24 0.035 -9.306 1.373 179 HD11 LEU 24 HD11 LEU 24 -0.101 -7.739 -0.514 180 HD12 LEU 24 HD12 LEU 24 -0.163 -6.364 0.607 181 HD13 LEU 24 HD13 LEU 24 -1.480 -7.548 0.565 182 HD21 LEU 24 HD21 LEU 24 2.348 -8.831 1.988 183 HD22 LEU 24 HD22 LEU 24 2.133 -7.130 1.532 184 HD23 LEU 24 HD23 LEU 24 2.071 -8.400 0.299 185 H ALA 25 HN ALA 25 1.141 -8.838 6.635 186 HA ALA 25 HA ALA 25 3.514 -7.044 6.285 187 HB1 ALA 25 HB1 ALA 25 1.740 -7.430 8.698 188 HB2 ALA 25 HB2 ALA 25 3.200 -6.444 8.598 189 HB3 ALA 25 HB3 ALA 25 1.780 -5.993 7.632 190 HA PRO 26 HA PRO 26 5.032 -11.183 7.941 191 HB2 PRO 26 HB2 PRO 26 6.182 -12.343 5.765 192 HB3 PRO 26 HB3 PRO 26 4.437 -12.540 6.106 193 HG2 PRO 26 HG2 PRO 26 5.747 -10.487 4.328 194 HG3 PRO 26 HG3 PRO 26 4.426 -11.589 3.858 195 HD2 PRO 26 HD2 PRO 26 3.987 -9.043 4.646 196 HD3 PRO 26 HD3 PRO 26 2.881 -10.370 5.142 197 H TYR 27 HN TYR 27 6.063 -8.447 6.083 198 HA TYR 27 HA TYR 27 8.877 -8.749 6.982 199 HB2 TYR 27 HB2 TYR 27 8.440 -7.211 4.464 200 HB3 TYR 27 HB3 TYR 27 9.764 -8.216 4.970 201 HD1 TYR 27 HD1 TYR 27 6.988 -7.944 2.805 202 HD2 TYR 27 HD2 TYR 27 9.316 -10.826 4.970 203 HE1 TYR 27 HE1 TYR 27 6.173 -9.727 1.276 204 HE2 TYR 27 HE2 TYR 27 8.488 -12.632 3.474 205 HH TYR 27 HH TYR 27 6.101 -12.028 0.845 206 H ALA 28 HN ALA 28 7.030 -6.077 5.383 207 HA ALA 28 HA ALA 28 7.910 -4.226 7.466 208 HB1 ALA 28 HB1 ALA 28 6.217 -3.840 4.955 209 HB2 ALA 28 HB2 ALA 28 6.686 -2.560 6.101 210 HB3 ALA 28 HB3 ALA 28 7.923 -3.420 5.188 211 H VAL 29 HN VAL 29 6.866 -4.414 9.309 212 HA VAL 29 HA VAL 29 3.921 -4.672 9.395 213 HB VAL 29 HB VAL 29 5.917 -4.473 11.688 214 HG11 VAL 29 HG11 VAL 29 3.605 -3.766 12.297 215 HG12 VAL 29 HG12 VAL 29 2.982 -5.317 11.686 216 HG13 VAL 29 HG13 VAL 29 4.066 -5.273 13.092 217 HG21 VAL 29 HG21 VAL 29 4.564 -6.931 10.483 218 HG22 VAL 29 HG22 VAL 29 6.305 -6.576 10.480 219 HG23 VAL 29 HG23 VAL 29 5.469 -6.912 11.997 220 H LEU 30 HN LEU 30 3.439 -2.746 8.340 221 HA LEU 30 HA LEU 30 4.633 -0.196 8.951 222 HB2 LEU 30 HB2 LEU 30 1.959 -0.902 7.690 223 HB3 LEU 30 HB3 LEU 30 2.648 0.715 7.689 224 HG LEU 30 HG LEU 30 3.988 -1.701 6.388 225 HD11 LEU 30 HD11 LEU 30 2.441 0.530 5.048 226 HD12 LEU 30 HD12 LEU 30 1.785 -1.108 5.366 227 HD13 LEU 30 HD13 LEU 30 3.180 -0.898 4.297 228 HD21 LEU 30 HD21 LEU 30 5.610 0.032 6.924 229 HD22 LEU 30 HD22 LEU 30 4.559 1.304 6.268 230 HD23 LEU 30 HD23 LEU 30 5.292 0.096 5.193 231 H SER 31 HN SER 31 3.628 1.636 10.008 232 HA SER 31 HA SER 31 2.544 0.877 12.587 233 HB2 SER 31 HB2 SER 31 4.183 2.892 11.526 234 HB3 SER 31 HB3 SER 31 2.708 3.772 11.850 235 HG SER 31 HG SER 31 2.886 2.715 14.046 236 H SER 32 HN SER 32 0.728 0.532 10.239 237 HA SER 32 HA SER 32 -1.204 1.054 9.261 238 HB2 SER 32 HB2 SER 32 -1.990 0.523 11.597 239 HB3 SER 32 HB3 SER 32 -2.136 2.277 11.863 240 HG SER 32 HG SER 32 -3.889 0.665 10.771 241 H SER 33 HN SER 33 -0.520 3.977 11.282 242 HA SER 33 HA SER 33 -1.688 5.896 9.658 243 HB2 SER 33 HB2 SER 33 -0.923 6.103 11.995 244 HB3 SER 33 HB3 SER 33 0.759 6.158 11.441 245 HG SER 33 HG SER 33 0.432 8.180 11.276 246 H ASN 34 HN ASN 34 1.467 4.321 9.083 247 HA ASN 34 HA ASN 34 2.625 6.060 7.212 248 HB2 ASN 34 HB2 ASN 34 2.385 3.014 7.209 249 HB3 ASN 34 HB3 ASN 34 3.418 3.899 6.114 250 HD21 ASN 34 HD21 ASN 34 5.147 5.350 7.103 251 HD22 ASN 34 HD22 ASN 34 5.904 4.730 8.543 252 H VAL 35 HN VAL 35 -0.315 4.093 6.956 253 HA VAL 35 HA VAL 35 -0.204 4.145 4.037 254 HB VAL 35 HB VAL 35 -2.013 2.547 5.883 255 HG11 VAL 35 HG11 VAL 35 -2.822 2.670 3.549 256 HG12 VAL 35 HG12 VAL 35 -1.233 2.106 2.967 257 HG13 VAL 35 HG13 VAL 35 -2.275 1.063 3.970 258 HG21 VAL 35 HG21 VAL 35 -0.441 0.638 5.411 259 HG22 VAL 35 HG22 VAL 35 0.688 1.830 4.705 260 HG23 VAL 35 HG23 VAL 35 0.257 1.892 6.426 261 H ARG 36 HN ARG 36 -1.815 4.921 2.774 262 HA ARG 36 HA ARG 36 -4.111 6.422 3.986 263 HB2 ARG 36 HB2 ARG 36 -1.907 7.315 2.166 264 HB3 ARG 36 HB3 ARG 36 -3.513 7.884 1.745 265 HG2 ARG 36 HG2 ARG 36 -2.640 8.123 4.612 266 HG3 ARG 36 HG3 ARG 36 -1.878 9.182 3.439 267 HD2 ARG 36 HD2 ARG 36 -3.630 10.562 3.406 268 HD3 ARG 36 HD3 ARG 36 -4.721 9.262 2.936 269 HE ARG 36 HE ARG 36 -5.565 9.240 5.029 270 HH11 ARG 36 HH11 ARG 36 -2.332 10.705 5.360 271 HH12 ARG 36 HH12 ARG 36 -2.704 11.462 6.871 272 HH21 ARG 36 HH21 ARG 36 -5.876 9.910 7.202 273 HH22 ARG 36 HH22 ARG 36 -4.704 10.899 7.998 274 H VAL 37 HN VAL 37 -5.601 4.803 3.583 275 HA VAL 37 HA VAL 37 -6.213 4.187 0.738 276 HB VAL 37 HB VAL 37 -7.492 3.075 3.296 277 HG11 VAL 37 HG11 VAL 37 -7.809 2.235 0.364 278 HG12 VAL 37 HG12 VAL 37 -8.517 1.400 1.762 279 HG13 VAL 37 HG13 VAL 37 -9.035 3.039 1.364 280 HG21 VAL 37 HG21 VAL 37 -5.609 1.606 1.398 281 HG22 VAL 37 HG22 VAL 37 -5.173 2.194 3.013 282 HG23 VAL 37 HG23 VAL 37 -6.415 0.964 2.832 283 H ILE 38 HN ILE 38 -7.303 5.965 -0.073 284 HA ILE 38 HA ILE 38 -8.985 7.655 1.649 285 HB ILE 38 HB ILE 38 -8.757 7.700 -1.383 286 HG12 ILE 38 HG12 ILE 38 -6.989 9.422 0.409 287 HG13 ILE 38 HG13 ILE 38 -6.407 7.931 -0.308 288 HG21 ILE 38 HG21 ILE 38 -9.407 9.854 0.696 289 HG22 ILE 38 HG22 ILE 38 -9.431 10.079 -1.090 290 HG23 ILE 38 HG23 ILE 38 -10.571 9.021 -0.321 291 HD11 ILE 38 HD11 ILE 38 -6.847 8.738 -2.577 292 HD12 ILE 38 HD12 ILE 38 -7.425 10.284 -1.939 293 HD13 ILE 38 HD13 ILE 38 -5.745 9.816 -1.683 294 H LYS 39 HN LYS 39 -11.357 7.783 1.262 295 HA LYS 39 HA LYS 39 -12.511 5.445 -0.156 296 HB2 LYS 39 HB2 LYS 39 -13.408 6.504 2.553 297 HB3 LYS 39 HB3 LYS 39 -14.208 5.268 1.614 298 HG2 LYS 39 HG2 LYS 39 -13.077 3.894 2.999 299 HG3 LYS 39 HG3 LYS 39 -11.825 4.033 1.762 300 HD2 LYS 39 HD2 LYS 39 -10.742 5.850 3.129 301 HD3 LYS 39 HD3 LYS 39 -12.055 5.723 4.288 302 HE2 LYS 39 HE2 LYS 39 -11.397 3.229 4.506 303 HE3 LYS 39 HE3 LYS 39 -9.903 3.677 3.653 304 HZ1 LYS 39 HZ1 LYS 39 -9.636 3.763 6.040 305 HZ2 LYS 39 HZ2 LYS 39 -10.900 4.820 6.182 306 HZ3 LYS 39 HZ3 LYS 39 -9.520 5.302 5.429 307 H ASP 40 HN ASP 40 -14.458 5.735 -1.157 308 HA ASP 40 HA ASP 40 -15.058 8.396 -2.079 309 HB2 ASP 40 HB2 ASP 40 -15.685 6.210 -3.271 310 HB3 ASP 40 HB3 ASP 40 -16.857 5.945 -1.998 311 H LYS 41 HN LYS 41 -16.922 9.724 -1.560 312 HA LYS 41 HA LYS 41 -18.009 9.303 1.200 313 HB2 LYS 41 HB2 LYS 41 -17.805 11.731 -0.643 314 HB3 LYS 41 HB3 LYS 41 -18.854 11.725 0.774 315 HG2 LYS 41 HG2 LYS 41 -16.837 10.894 2.125 316 HG3 LYS 41 HG3 LYS 41 -15.847 11.436 0.759 317 HD2 LYS 41 HD2 LYS 41 -16.839 13.719 0.993 318 HD3 LYS 41 HD3 LYS 41 -17.832 13.153 2.327 319 HE2 LYS 41 HE2 LYS 41 -14.781 13.265 2.319 320 HE3 LYS 41 HE3 LYS 41 -15.860 14.425 3.086 321 HZ1 LYS 41 HZ1 LYS 41 -15.090 12.914 4.701 322 HZ2 LYS 41 HZ2 LYS 41 -15.486 11.598 3.819 323 HZ3 LYS 41 HZ3 LYS 41 -16.677 12.596 4.475 324 H GLN 42 HN GLN 42 -19.005 8.094 -1.600 325 HA GLN 42 HA GLN 42 -21.871 8.658 -1.007 326 HB2 GLN 42 HB2 GLN 42 -20.839 8.001 -3.683 327 HB3 GLN 42 HB3 GLN 42 -22.431 8.571 -3.222 328 HG2 GLN 42 HG2 GLN 42 -21.394 10.714 -2.421 329 HG3 GLN 42 HG3 GLN 42 -19.827 10.150 -3.014 330 HE21 GLN 42 HE21 GLN 42 -19.280 11.338 -4.741 331 HE22 GLN 42 HE22 GLN 42 -20.394 11.948 -5.936 332 H THR 43 HN THR 43 -19.654 6.172 -2.361 333 HA THR 43 HA THR 43 -21.602 4.088 -1.537 334 HB THR 43 HB THR 43 -20.541 3.894 -3.729 335 HG1 THR 43 HG1 THR 43 -21.217 2.086 -2.909 336 HG21 THR 43 HG21 THR 43 -18.243 3.179 -4.031 337 HG22 THR 43 HG22 THR 43 -17.898 3.875 -2.426 338 HG23 THR 43 HG23 THR 43 -18.511 4.864 -3.740 339 H GLN 44 HN GLN 44 -18.923 5.685 -0.141 340 HA GLN 44 HA GLN 44 -17.659 5.384 1.640 341 HB2 GLN 44 HB2 GLN 44 -19.229 2.905 2.394 342 HB3 GLN 44 HB3 GLN 44 -18.077 3.723 3.394 343 HG2 GLN 44 HG2 GLN 44 -20.752 4.762 2.504 344 HG3 GLN 44 HG3 GLN 44 -20.214 4.409 4.145 345 HE21 GLN 44 HE21 GLN 44 -21.250 6.869 2.767 346 HE22 GLN 44 HE22 GLN 44 -20.179 8.154 3.296 347 H LEU 45 HN LEU 45 -17.611 3.210 -0.937 348 HA LEU 45 HA LEU 45 -15.691 1.292 0.057 349 HB2 LEU 45 HB2 LEU 45 -15.909 2.326 -2.787 350 HB3 LEU 45 HB3 LEU 45 -15.266 0.766 -2.266 351 HG LEU 45 HG LEU 45 -18.157 1.653 -2.111 352 HD11 LEU 45 HD11 LEU 45 -18.524 0.151 -3.924 353 HD12 LEU 45 HD12 LEU 45 -16.831 -0.406 -3.895 354 HD13 LEU 45 HD13 LEU 45 -17.201 1.263 -4.359 355 HD21 LEU 45 HD21 LEU 45 -17.894 0.168 -0.287 356 HD22 LEU 45 HD22 LEU 45 -16.759 -0.855 -1.146 357 HD23 LEU 45 HD23 LEU 45 -18.478 -0.868 -1.600 358 H ASN 46 HN ASN 46 -13.512 1.217 -1.118 359 HA ASN 46 HA ASN 46 -11.878 3.525 -0.505 360 HB2 ASN 46 HB2 ASN 46 -10.901 1.183 -2.139 361 HB3 ASN 46 HB3 ASN 46 -9.972 2.292 -1.105 362 HD21 ASN 46 HD21 ASN 46 -10.708 -0.925 -1.204 363 HD22 ASN 46 HD22 ASN 46 -11.191 -1.079 0.436 364 H ARG 47 HN ARG 47 -10.132 3.548 -2.508 365 HA ARG 47 HA ARG 47 -11.573 4.363 -5.018 366 HB2 ARG 47 HB2 ARG 47 -8.986 5.481 -3.895 367 HB3 ARG 47 HB3 ARG 47 -9.591 5.782 -5.521 368 HG2 ARG 47 HG2 ARG 47 -11.716 6.361 -3.609 369 HG3 ARG 47 HG3 ARG 47 -10.239 7.197 -3.147 370 HD2 ARG 47 HD2 ARG 47 -11.568 8.618 -4.598 371 HD3 ARG 47 HD3 ARG 47 -10.060 8.186 -5.405 372 HE ARG 47 HE ARG 47 -12.171 6.350 -6.100 373 HH11 ARG 47 HH11 ARG 47 -11.198 9.730 -6.743 374 HH12 ARG 47 HH12 ARG 47 -11.845 9.729 -8.348 375 HH21 ARG 47 HH21 ARG 47 -13.150 6.420 -8.109 376 HH22 ARG 47 HH22 ARG 47 -12.950 7.782 -9.175 377 H GLY 48 HN GLY 48 -9.664 1.950 -3.733 378 HA2 GLY 48 HA1 GLY 48 -8.958 0.050 -4.777 379 HA3 GLY 48 HA2 GLY 48 -9.229 0.807 -6.339 380 H PHE 49 HN PHE 49 -7.223 2.671 -4.247 381 HA PHE 49 HA PHE 49 -4.741 1.302 -4.759 382 HB2 PHE 49 HB2 PHE 49 -3.635 3.364 -5.656 383 HB3 PHE 49 HB3 PHE 49 -4.819 2.698 -6.767 384 HD1 PHE 49 HD1 PHE 49 -4.036 5.513 -4.473 385 HD2 PHE 49 HD2 PHE 49 -6.912 3.874 -7.253 386 HE1 PHE 49 HE1 PHE 49 -5.282 7.671 -4.486 387 HE2 PHE 49 HE2 PHE 49 -8.132 6.001 -7.239 388 HZ PHE 49 HZ PHE 49 -7.335 7.916 -5.848 389 H ALA 50 HN ALA 50 -3.010 2.574 -3.455 390 HA ALA 50 HA ALA 50 -4.035 4.370 -1.407 391 HB1 ALA 50 HB1 ALA 50 -3.171 2.967 0.497 392 HB2 ALA 50 HB2 ALA 50 -4.555 2.267 -0.329 393 HB3 ALA 50 HB3 ALA 50 -2.920 1.625 -0.637 394 H PHE 51 HN PHE 51 -2.060 4.741 0.178 395 HA PHE 51 HA PHE 51 0.459 4.958 -1.357 396 HB2 PHE 51 HB2 PHE 51 -0.886 7.044 0.401 397 HB3 PHE 51 HB3 PHE 51 0.652 7.246 -0.354 398 HD1 PHE 51 HD1 PHE 51 -2.904 7.658 -0.657 399 HD2 PHE 51 HD2 PHE 51 0.691 7.163 -2.991 400 HE1 PHE 51 HE1 PHE 51 -4.071 8.543 -2.617 401 HE2 PHE 51 HE2 PHE 51 -0.496 7.982 -4.996 402 HZ PHE 51 HZ PHE 51 -2.901 8.669 -4.830 403 H ILE 52 HN ILE 52 2.244 5.010 0.028 404 HA ILE 52 HA ILE 52 1.902 4.581 2.945 405 HB ILE 52 HB ILE 52 3.967 3.309 1.163 406 HG12 ILE 52 HG12 ILE 52 1.610 1.967 2.558 407 HG13 ILE 52 HG13 ILE 52 1.768 2.207 0.819 408 HG21 ILE 52 HG21 ILE 52 4.732 3.835 3.505 409 HG22 ILE 52 HG22 ILE 52 3.502 2.694 4.089 410 HG23 ILE 52 HG23 ILE 52 4.830 2.147 3.031 411 HD11 ILE 52 HD11 ILE 52 3.567 0.411 2.489 412 HD12 ILE 52 HD12 ILE 52 2.290 -0.097 1.389 413 HD13 ILE 52 HD13 ILE 52 3.728 0.704 0.750 414 H GLN 53 HN GLN 53 3.063 6.124 4.055 415 HA GLN 53 HA GLN 53 5.174 7.714 2.639 416 HB2 GLN 53 HB2 GLN 53 3.046 8.411 4.689 417 HB3 GLN 53 HB3 GLN 53 4.610 9.200 4.748 418 HG2 GLN 53 HG2 GLN 53 3.221 10.670 3.610 419 HG3 GLN 53 HG3 GLN 53 4.384 10.020 2.454 420 HE21 GLN 53 HE21 GLN 53 3.582 8.242 0.989 421 HE22 GLN 53 HE22 GLN 53 1.922 8.400 0.475 422 H LEU 54 HN LEU 54 7.194 7.310 3.391 423 HA LEU 54 HA LEU 54 7.627 6.209 6.110 424 HB2 LEU 54 HB2 LEU 54 8.255 4.965 3.472 425 HB3 LEU 54 HB3 LEU 54 9.606 5.014 4.540 426 HG LEU 54 HG LEU 54 7.074 4.050 5.802 427 HD11 LEU 54 HD11 LEU 54 8.542 2.266 3.830 428 HD12 LEU 54 HD12 LEU 54 6.968 3.018 3.520 429 HD13 LEU 54 HD13 LEU 54 7.148 1.853 4.847 430 HD21 LEU 54 HD21 LEU 54 8.650 2.444 6.808 431 HD22 LEU 54 HD22 LEU 54 9.338 4.076 6.928 432 HD23 LEU 54 HD23 LEU 54 9.908 2.946 5.665 433 H SER 55 HN SER 55 10.214 6.275 6.359 434 HA SER 55 HA SER 55 11.266 8.929 5.954 435 HB2 SER 55 HB2 SER 55 12.088 6.411 7.140 436 HB3 SER 55 HB3 SER 55 13.321 6.921 5.973 437 HG SER 55 HG SER 55 13.683 7.725 8.056 438 H THR 56 HN THR 56 12.797 9.524 4.371 439 HA THR 56 HA THR 56 12.442 8.940 1.680 440 HB THR 56 HB THR 56 14.883 9.924 3.163 441 HG1 THR 56 HG1 THR 56 12.831 11.110 3.434 442 HG21 THR 56 HG21 THR 56 15.577 9.352 0.926 443 HG22 THR 56 HG22 THR 56 15.526 11.106 1.118 444 HG23 THR 56 HG23 THR 56 14.229 10.266 0.243 445 H ILE 57 HN ILE 57 15.151 7.810 3.729 446 HA ILE 57 HA ILE 57 16.158 6.064 1.737 447 HB ILE 57 HB ILE 57 16.620 6.039 4.752 448 HG12 ILE 57 HG12 ILE 57 18.037 7.561 2.504 449 HG13 ILE 57 HG13 ILE 57 17.068 8.266 3.799 450 HG21 ILE 57 HG21 ILE 57 18.741 4.918 4.242 451 HG22 ILE 57 HG22 ILE 57 17.413 3.964 3.632 452 HG23 ILE 57 HG23 ILE 57 18.375 4.957 2.503 453 HD11 ILE 57 HD11 ILE 57 19.772 6.974 4.045 454 HD12 ILE 57 HD12 ILE 57 19.278 8.634 4.442 455 HD13 ILE 57 HD13 ILE 57 18.726 7.276 5.452 456 H GLU 58 HN GLU 58 14.115 5.439 4.626 457 HA GLU 58 HA GLU 58 14.352 2.680 4.507 458 HB2 GLU 58 HB2 GLU 58 11.928 4.236 5.544 459 HB3 GLU 58 HB3 GLU 58 12.397 2.595 6.023 460 HG2 GLU 58 HG2 GLU 58 14.048 5.103 6.511 461 HG3 GLU 58 HG3 GLU 58 13.017 4.322 7.683 462 H ALA 59 HN ALA 59 11.856 4.763 3.124 463 HA ALA 59 HA ALA 59 9.986 2.935 2.207 464 HB1 ALA 59 HB1 ALA 59 9.524 4.649 0.402 465 HB2 ALA 59 HB2 ALA 59 9.744 5.418 1.989 466 HB3 ALA 59 HB3 ALA 59 11.056 5.443 0.838 467 H ALA 60 HN ALA 60 12.909 4.118 0.504 468 HA ALA 60 HA ALA 60 12.624 2.545 -1.845 469 HB1 ALA 60 HB1 ALA 60 14.957 3.199 -2.280 470 HB2 ALA 60 HB2 ALA 60 14.058 4.590 -1.636 471 HB3 ALA 60 HB3 ALA 60 15.163 3.700 -0.592 472 H GLN 61 HN GLN 61 14.549 1.923 1.211 473 HA GLN 61 HA GLN 61 15.762 -0.434 0.281 474 HB2 GLN 61 HB2 GLN 61 14.965 0.178 3.137 475 HB3 GLN 61 HB3 GLN 61 16.150 -0.988 2.566 476 HG2 GLN 61 HG2 GLN 61 16.381 1.900 2.990 477 HG3 GLN 61 HG3 GLN 61 17.599 0.665 3.042 478 HE21 GLN 61 HE21 GLN 61 16.698 3.392 1.508 479 HE22 GLN 61 HE22 GLN 61 17.706 3.309 0.094 480 H LEU 62 HN LEU 62 12.793 -0.139 2.289 481 HA LEU 62 HA LEU 62 12.331 -2.940 2.367 482 HB2 LEU 62 HB2 LEU 62 11.214 -0.760 3.611 483 HB3 LEU 62 HB3 LEU 62 9.955 -1.094 2.435 484 HG LEU 62 HG LEU 62 9.301 -2.149 4.245 485 HD11 LEU 62 HD11 LEU 62 9.246 -4.572 3.836 486 HD12 LEU 62 HD12 LEU 62 10.596 -4.427 2.720 487 HD13 LEU 62 HD13 LEU 62 9.051 -3.613 2.362 488 HD21 LEU 62 HD21 LEU 62 11.362 -2.074 5.607 489 HD22 LEU 62 HD22 LEU 62 12.046 -3.421 4.681 490 HD23 LEU 62 HD23 LEU 62 10.622 -3.677 5.713 491 H LEU 63 HN LEU 63 11.081 -0.452 0.113 492 HA LEU 63 HA LEU 63 9.314 -2.073 -1.266 493 HB2 LEU 63 HB2 LEU 63 9.441 0.307 -1.659 494 HB3 LEU 63 HB3 LEU 63 11.098 0.208 -2.220 495 HG LEU 63 HG LEU 63 9.369 -1.521 -3.861 496 HD11 LEU 63 HD11 LEU 63 7.609 0.003 -3.231 497 HD12 LEU 63 HD12 LEU 63 8.037 0.195 -4.935 498 HD13 LEU 63 HD13 LEU 63 8.589 1.397 -3.739 499 HD21 LEU 63 HD21 LEU 63 10.386 -0.207 -5.690 500 HD22 LEU 63 HD22 LEU 63 11.616 -0.724 -4.538 501 HD23 LEU 63 HD23 LEU 63 11.035 0.955 -4.513 502 H GLN 64 HN GLN 64 12.857 -1.744 -1.819 503 HA GLN 64 HA GLN 64 12.925 -3.299 -4.189 504 HB2 GLN 64 HB2 GLN 64 15.011 -2.733 -2.053 505 HB3 GLN 64 HB3 GLN 64 15.399 -3.659 -3.473 506 HG2 GLN 64 HG2 GLN 64 15.109 -1.882 -4.822 507 HG3 GLN 64 HG3 GLN 64 14.251 -0.860 -3.666 508 HE21 GLN 64 HE21 GLN 64 15.490 -0.295 -1.715 509 HE22 GLN 64 HE22 GLN 64 17.257 -0.279 -1.651 510 H ILE 65 HN ILE 65 12.808 -4.283 -0.808 511 HA ILE 65 HA ILE 65 13.845 -6.951 -1.063 512 HB ILE 65 HB ILE 65 11.950 -5.778 1.003 513 HG12 ILE 65 HG12 ILE 65 14.975 -6.107 1.090 514 HG13 ILE 65 HG13 ILE 65 14.125 -4.592 0.841 515 HG21 ILE 65 HG21 ILE 65 11.757 -8.161 1.090 516 HG22 ILE 65 HG22 ILE 65 13.534 -8.347 1.151 517 HG23 ILE 65 HG23 ILE 65 12.635 -7.612 2.490 518 HD11 ILE 65 HD11 ILE 65 14.717 -4.546 3.093 519 HD12 ILE 65 HD12 ILE 65 13.000 -4.981 3.109 520 HD13 ILE 65 HD13 ILE 65 14.237 -6.233 3.372 521 H LEU 66 HN LEU 66 10.480 -5.764 -0.796 522 HA LEU 66 HA LEU 66 9.066 -8.036 -1.632 523 HB2 LEU 66 HB2 LEU 66 8.502 -5.110 -2.273 524 HB3 LEU 66 HB3 LEU 66 7.409 -6.427 -2.639 525 HG LEU 66 HG LEU 66 6.619 -5.349 -0.696 526 HD11 LEU 66 HD11 LEU 66 6.512 -7.870 -0.724 527 HD12 LEU 66 HD12 LEU 66 6.444 -7.127 0.880 528 HD13 LEU 66 HD13 LEU 66 7.954 -7.879 0.313 529 HD21 LEU 66 HD21 LEU 66 9.212 -5.853 0.771 530 HD22 LEU 66 HD22 LEU 66 7.731 -5.073 1.356 531 HD23 LEU 66 HD23 LEU 66 8.682 -4.300 0.078 532 H GLN 67 HN GLN 67 10.697 -5.618 -3.614 533 HA GLN 67 HA GLN 67 9.805 -6.784 -6.133 534 HB2 GLN 67 HB2 GLN 67 11.672 -4.488 -5.443 535 HB3 GLN 67 HB3 GLN 67 11.301 -4.990 -7.088 536 HG2 GLN 67 HG2 GLN 67 8.824 -4.768 -6.501 537 HG3 GLN 67 HG3 GLN 67 9.319 -3.977 -5.009 538 HE21 GLN 67 HE21 GLN 67 7.807 -2.452 -6.244 539 HE22 GLN 67 HE22 GLN 67 8.475 -1.398 -7.486 540 H ALA 68 HN ALA 68 11.704 -8.301 -4.198 541 HA ALA 68 HA ALA 68 13.200 -9.465 -6.494 542 HB1 ALA 68 HB1 ALA 68 14.856 -8.291 -5.190 543 HB2 ALA 68 HB2 ALA 68 14.309 -9.072 -3.689 544 HB3 ALA 68 HB3 ALA 68 15.077 -10.036 -4.973 545 H LEU 69 HN LEU 69 11.562 -9.970 -3.370 546 HA LEU 69 HA LEU 69 11.789 -12.859 -3.524 547 HB2 LEU 69 HB2 LEU 69 10.482 -12.904 -1.475 548 HB3 LEU 69 HB3 LEU 69 11.822 -11.801 -1.385 549 HG LEU 69 HG LEU 69 9.777 -10.089 -2.169 550 HD11 LEU 69 HD11 LEU 69 7.889 -10.458 -0.698 551 HD12 LEU 69 HD12 LEU 69 8.607 -11.986 -0.102 552 HD13 LEU 69 HD13 LEU 69 8.024 -11.862 -1.755 553 HD21 LEU 69 HD21 LEU 69 10.457 -10.811 0.716 554 HD22 LEU 69 HD22 LEU 69 9.823 -9.269 0.123 555 HD23 LEU 69 HD23 LEU 69 11.448 -9.797 -0.330 556 H HIS 70 HN HIS 70 9.227 -13.673 -2.768 557 HA HIS 70 HA HIS 70 7.874 -14.101 -5.220 558 HB2 HIS 70 HB2 HIS 70 7.394 -14.594 -2.306 559 HB3 HIS 70 HB3 HIS 70 5.941 -14.489 -3.269 560 HD1 HIS 70 HD1 HIS 70 5.209 -16.765 -4.347 561 HD2 HIS 70 HD2 HIS 70 9.343 -16.375 -3.612 562 HE1 HIS 70 HE1 HIS 70 6.274 -18.930 -5.092 563 HA PRO 71 HA PRO 71 5.131 -10.621 -5.649 564 HB2 PRO 71 HB2 PRO 71 2.695 -11.786 -6.273 565 HB3 PRO 71 HB3 PRO 71 4.060 -11.637 -7.408 566 HG2 PRO 71 HG2 PRO 71 3.313 -14.012 -5.665 567 HG3 PRO 71 HG3 PRO 71 3.717 -14.020 -7.415 568 HD2 PRO 71 HD2 PRO 71 5.543 -14.670 -5.570 569 HD3 PRO 71 HD3 PRO 71 6.014 -13.671 -6.970 570 HA PRO 72 HA PRO 72 3.023 -9.924 -1.876 571 HB2 PRO 72 HB2 PRO 72 0.722 -8.491 -2.648 572 HB3 PRO 72 HB3 PRO 72 2.368 -7.818 -2.425 573 HG2 PRO 72 HG2 PRO 72 0.960 -8.722 -4.930 574 HG3 PRO 72 HG3 PRO 72 1.996 -7.272 -4.700 575 HD2 PRO 72 HD2 PRO 72 2.907 -9.515 -5.903 576 HD3 PRO 72 HD3 PRO 72 3.958 -8.572 -4.807 577 H LEU 73 HN LEU 73 1.494 -10.717 -0.485 578 HA LEU 73 HA LEU 73 0.060 -13.075 -1.204 579 HB2 LEU 73 HB2 LEU 73 1.458 -12.235 0.981 580 HB3 LEU 73 HB3 LEU 73 -0.132 -11.708 1.492 581 HG LEU 73 HG LEU 73 0.419 -13.857 2.396 582 HD11 LEU 73 HD11 LEU 73 -1.694 -14.367 0.292 583 HD12 LEU 73 HD12 LEU 73 -1.937 -13.416 1.788 584 HD13 LEU 73 HD13 LEU 73 -1.515 -15.134 1.867 585 HD21 LEU 73 HD21 LEU 73 0.874 -15.846 1.103 586 HD22 LEU 73 HD22 LEU 73 2.020 -14.581 0.680 587 HD23 LEU 73 HD23 LEU 73 0.691 -14.970 -0.421 588 H THR 74 HN THR 74 -2.059 -13.196 -1.609 589 HA THR 74 HA THR 74 -3.760 -10.758 -1.597 590 HB THR 74 HB THR 74 -3.925 -11.835 -3.658 591 HG1 THR 74 HG1 THR 74 -5.876 -12.404 -3.889 592 HG21 THR 74 HG21 THR 74 -2.955 -13.956 -3.403 593 HG22 THR 74 HG22 THR 74 -4.642 -14.213 -3.898 594 HG23 THR 74 HG23 THR 74 -4.190 -14.456 -2.203 595 H ILE 75 HN ILE 75 -5.882 -10.782 -0.524 596 HA ILE 75 HA ILE 75 -6.249 -12.747 1.657 597 HB ILE 75 HB ILE 75 -6.487 -9.841 2.355 598 HG12 ILE 75 HG12 ILE 75 -4.144 -9.858 3.267 599 HG13 ILE 75 HG13 ILE 75 -3.744 -11.144 2.149 600 HG21 ILE 75 HG21 ILE 75 -7.119 -11.678 3.906 601 HG22 ILE 75 HG22 ILE 75 -5.436 -12.239 3.903 602 HG23 ILE 75 HG23 ILE 75 -5.861 -10.635 4.559 603 HD11 ILE 75 HD11 ILE 75 -4.721 -8.314 1.554 604 HD12 ILE 75 HD12 ILE 75 -3.052 -8.903 1.451 605 HD13 ILE 75 HD13 ILE 75 -4.255 -9.464 0.289 606 H ASP 76 HN ASP 76 -7.638 -11.788 -0.881 607 HA ASP 76 HA ASP 76 -10.326 -12.101 -0.072 608 HB2 ASP 76 HB2 ASP 76 -9.687 -9.523 0.458 609 HB3 ASP 76 HB3 ASP 76 -10.129 -9.333 -1.215 610 H GLY 77 HN GLY 77 -8.191 -12.958 -2.090 611 HA2 GLY 77 HA1 GLY 77 -7.954 -13.538 -4.242 612 HA3 GLY 77 HA2 GLY 77 -9.694 -13.214 -4.467 613 H LYS 78 HN LYS 78 -7.352 -10.796 -3.432 614 HA LYS 78 HA LYS 78 -7.276 -9.499 -6.100 615 HB2 LYS 78 HB2 LYS 78 -7.131 -7.379 -4.495 616 HB3 LYS 78 HB3 LYS 78 -8.613 -8.006 -5.172 617 HG2 LYS 78 HG2 LYS 78 -9.066 -7.565 -2.979 618 HG3 LYS 78 HG3 LYS 78 -9.075 -9.265 -3.093 619 HD2 LYS 78 HD2 LYS 78 -7.999 -8.915 -1.059 620 HD3 LYS 78 HD3 LYS 78 -6.600 -8.988 -2.109 621 HE2 LYS 78 HE2 LYS 78 -6.433 -6.612 -2.194 622 HE3 LYS 78 HE3 LYS 78 -8.071 -6.406 -1.519 623 HZ1 LYS 78 HZ1 LYS 78 -5.826 -7.523 0.011 624 HZ2 LYS 78 HZ2 LYS 78 -7.351 -7.284 0.572 625 HZ3 LYS 78 HZ3 LYS 78 -6.438 -6.007 0.174 626 H THR 79 HN THR 79 -5.187 -10.150 -6.719 627 HA THR 79 HA THR 79 -3.087 -10.095 -4.743 628 HB THR 79 HB THR 79 -2.592 -9.924 -7.714 629 HG1 THR 79 HG1 THR 79 -3.579 -11.741 -7.956 630 HG21 THR 79 HG21 THR 79 -0.747 -9.828 -5.988 631 HG22 THR 79 HG22 THR 79 -0.638 -11.257 -7.046 632 HG23 THR 79 HG23 THR 79 -1.282 -11.401 -5.382 633 H ILE 80 HN ILE 80 -2.181 -8.250 -3.946 634 HA ILE 80 HA ILE 80 -2.951 -5.638 -4.848 635 HB ILE 80 HB ILE 80 -0.664 -6.541 -3.037 636 HG12 ILE 80 HG12 ILE 80 -2.650 -7.391 -2.019 637 HG13 ILE 80 HG13 ILE 80 -2.216 -5.929 -1.155 638 HG21 ILE 80 HG21 ILE 80 -0.218 -4.288 -3.587 639 HG22 ILE 80 HG22 ILE 80 -1.921 -3.806 -3.399 640 HG23 ILE 80 HG23 ILE 80 -0.938 -4.259 -1.987 641 HD11 ILE 80 HD11 ILE 80 -3.923 -4.719 -2.697 642 HD12 ILE 80 HD12 ILE 80 -4.495 -6.347 -3.096 643 HD13 ILE 80 HD13 ILE 80 -4.537 -5.774 -1.413 644 H ASN 81 HN ASN 81 -1.549 -4.017 -5.757 645 HA ASN 81 HA ASN 81 0.825 -5.016 -7.280 646 HB2 ASN 81 HB2 ASN 81 -1.458 -3.467 -8.295 647 HB3 ASN 81 HB3 ASN 81 0.022 -2.539 -8.394 648 HD21 ASN 81 HD21 ASN 81 -1.588 -5.431 -9.639 649 HD22 ASN 81 HD22 ASN 81 -0.303 -5.823 -10.743 650 H VAL 82 HN VAL 82 2.549 -3.397 -7.421 651 HA VAL 82 HA VAL 82 2.554 -1.399 -5.230 652 HB VAL 82 HB VAL 82 4.768 -3.372 -5.963 653 HG11 VAL 82 HG11 VAL 82 4.570 -1.476 -3.585 654 HG12 VAL 82 HG12 VAL 82 5.918 -2.579 -3.984 655 HG13 VAL 82 HG13 VAL 82 5.580 -1.203 -5.021 656 HG21 VAL 82 HG21 VAL 82 4.370 -4.416 -3.732 657 HG22 VAL 82 HG22 VAL 82 2.901 -3.428 -3.554 658 HG23 VAL 82 HG23 VAL 82 3.022 -4.653 -4.839 659 H GLU 83 HN GLU 83 3.433 0.550 -5.869 660 HA GLU 83 HA GLU 83 5.453 0.501 -8.042 661 HB2 GLU 83 HB2 GLU 83 3.474 2.766 -7.502 662 HB3 GLU 83 HB3 GLU 83 4.851 2.851 -8.547 663 HG2 GLU 83 HG2 GLU 83 3.446 2.384 -10.167 664 HG3 GLU 83 HG3 GLU 83 3.722 0.733 -9.647 665 H PHE 84 HN PHE 84 7.165 1.859 -7.625 666 HA PHE 84 HA PHE 84 7.416 3.128 -4.964 667 HB2 PHE 84 HB2 PHE 84 9.366 1.940 -6.220 668 HB3 PHE 84 HB3 PHE 84 9.281 3.260 -7.353 669 HD1 PHE 84 HD1 PHE 84 8.909 3.913 -3.654 670 HD2 PHE 84 HD2 PHE 84 11.639 3.714 -7.003 671 HE1 PHE 84 HE1 PHE 84 10.644 5.015 -2.312 672 HE2 PHE 84 HE2 PHE 84 13.375 4.820 -5.631 673 HZ PHE 84 HZ PHE 84 12.874 5.494 -3.286 674 H ALA 85 HN ALA 85 7.285 5.460 -4.923 675 HA ALA 85 HA ALA 85 6.758 6.872 -7.485 676 HB1 ALA 85 HB1 ALA 85 5.052 6.980 -4.989 677 HB2 ALA 85 HB2 ALA 85 5.095 8.302 -6.193 678 HB3 ALA 85 HB3 ALA 85 4.588 6.665 -6.663 679 H LYS 86 HN LYS 86 9.012 7.015 -7.225 680 HA LYS 86 HA LYS 86 9.938 9.046 -5.278 681 HB2 LYS 86 HB2 LYS 86 11.144 6.990 -5.265 682 HB3 LYS 86 HB3 LYS 86 11.401 7.040 -7.018 683 HG2 LYS 86 HG2 LYS 86 13.379 7.658 -5.798 684 HG3 LYS 86 HG3 LYS 86 12.811 8.999 -6.795 685 HD2 LYS 86 HD2 LYS 86 12.043 10.252 -4.857 686 HD3 LYS 86 HD3 LYS 86 12.067 8.827 -3.858 687 HE2 LYS 86 HE2 LYS 86 14.528 10.264 -4.968 688 HE3 LYS 86 HE3 LYS 86 13.922 10.333 -3.301 689 HZ1 LYS 86 HZ1 LYS 86 14.362 7.980 -3.121 690 HZ2 LYS 86 HZ2 LYS 86 15.724 8.847 -3.417 691 HZ3 LYS 86 HZ3 LYS 86 15.071 7.997 -4.654 692 H GLY 87 HN GLY 87 9.519 11.008 -6.118 693 HA2 GLY 87 HA1 GLY 87 9.525 11.624 -8.959 694 HA3 GLY 87 HA2 GLY 87 9.461 12.768 -7.597 695 H SER 88 HN SER 88 11.641 12.434 -6.192 696 HA SER 88 HA SER 88 13.666 13.783 -7.577 697 HB2 SER 88 HB2 SER 88 13.748 12.142 -5.003 698 HB3 SER 88 HB3 SER 88 14.996 13.278 -5.504 699 HG SER 88 HG SER 88 12.299 13.729 -4.757 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 7.562 18.468 -3.920 2 HA2 GLY 1 HA1 GLY 1 6.452 16.413 -4.754 3 HA3 GLY 1 HA2 GLY 1 8.182 16.181 -4.433 4 H HIS 2 HN HIS 2 5.912 14.186 -4.307 5 HA HIS 2 HA HIS 2 5.921 13.297 -1.503 6 HB2 HIS 2 HB2 HIS 2 5.027 12.036 -4.119 7 HB3 HIS 2 HB3 HIS 2 5.102 11.143 -2.602 8 HD1 HIS 2 HD1 HIS 2 2.798 13.571 -4.386 9 HD2 HIS 2 HD2 HIS 2 3.641 12.195 -0.478 10 HE1 HIS 2 HE1 HIS 2 0.837 14.251 -2.949 11 H MET 3 HN MET 3 8.054 13.220 -0.855 12 HA MET 3 HA MET 3 10.053 11.870 -2.575 13 HB2 MET 3 HB2 MET 3 10.430 13.311 0.077 14 HB3 MET 3 HB3 MET 3 11.685 12.702 -1.007 15 HG2 MET 3 HG2 MET 3 10.666 14.288 -2.776 16 HG3 MET 3 HG3 MET 3 9.720 14.956 -1.458 17 HE1 MET 3 HE1 MET 3 14.260 15.443 -2.136 18 HE2 MET 3 HE2 MET 3 13.556 13.837 -1.882 19 HE3 MET 3 HE3 MET 3 13.084 14.799 -3.303 20 H ASP 4 HN ASP 4 9.697 9.705 -2.439 21 HA ASP 4 HA ASP 4 9.833 7.666 -1.779 22 HB2 ASP 4 HB2 ASP 4 10.773 8.859 0.816 23 HB3 ASP 4 HB3 ASP 4 10.434 7.166 0.607 24 H THR 5 HN THR 5 7.797 7.120 -2.279 25 HA THR 5 HA THR 5 6.099 6.457 0.029 26 HB THR 5 HB THR 5 5.144 7.914 -2.462 27 HG1 THR 5 HG1 THR 5 6.155 8.894 -0.318 28 HG21 THR 5 HG21 THR 5 3.522 6.989 -0.066 29 HG22 THR 5 HG22 THR 5 3.416 6.346 -1.725 30 HG23 THR 5 HG23 THR 5 2.940 8.021 -1.394 31 H ILE 6 HN ILE 6 5.423 4.338 -0.197 32 HA ILE 6 HA ILE 6 5.790 3.001 -2.841 33 HB ILE 6 HB ILE 6 5.119 1.757 -0.159 34 HG12 ILE 6 HG12 ILE 6 7.790 1.770 -1.601 35 HG13 ILE 6 HG13 ILE 6 7.399 2.650 -0.119 36 HG21 ILE 6 HG21 ILE 6 4.198 0.513 -2.071 37 HG22 ILE 6 HG22 ILE 6 5.804 0.448 -2.802 38 HG23 ILE 6 HG23 ILE 6 5.473 -0.394 -1.276 39 HD11 ILE 6 HD11 ILE 6 6.879 0.453 1.003 40 HD12 ILE 6 HD12 ILE 6 7.580 -0.357 -0.424 41 HD13 ILE 6 HD13 ILE 6 8.573 0.713 0.570 42 H ILE 7 HN ILE 7 3.944 2.726 -4.037 43 HA ILE 7 HA ILE 7 1.324 3.504 -2.837 44 HB ILE 7 HB ILE 7 2.118 3.374 -5.777 45 HG12 ILE 7 HG12 ILE 7 1.776 5.639 -3.832 46 HG13 ILE 7 HG13 ILE 7 3.191 5.251 -4.791 47 HG21 ILE 7 HG21 ILE 7 -0.247 2.748 -5.428 48 HG22 ILE 7 HG22 ILE 7 -0.513 4.263 -4.531 49 HG23 ILE 7 HG23 ILE 7 -0.099 4.269 -6.264 50 HD11 ILE 7 HD11 ILE 7 2.064 5.963 -6.844 51 HD12 ILE 7 HD12 ILE 7 0.574 6.314 -5.933 52 HD13 ILE 7 HD13 ILE 7 2.013 7.251 -5.608 53 H LEU 8 HN LEU 8 -0.339 1.991 -2.976 54 HA LEU 8 HA LEU 8 0.345 -0.704 -4.063 55 HB2 LEU 8 HB2 LEU 8 -1.605 -0.087 -1.819 56 HB3 LEU 8 HB3 LEU 8 -1.399 -1.648 -2.614 57 HG LEU 8 HG LEU 8 0.558 -0.248 -0.775 58 HD11 LEU 8 HD11 LEU 8 -0.879 -2.922 -0.602 59 HD12 LEU 8 HD12 LEU 8 -1.493 -1.469 0.139 60 HD13 LEU 8 HD13 LEU 8 0.073 -2.173 0.668 61 HD21 LEU 8 HD21 LEU 8 0.974 -2.828 -2.359 62 HD22 LEU 8 HD22 LEU 8 1.981 -2.303 -0.994 63 HD23 LEU 8 HD23 LEU 8 1.935 -1.343 -2.474 64 H ARG 9 HN ARG 9 -1.429 -1.705 -5.126 65 HA ARG 9 HA ARG 9 -3.687 -0.013 -6.123 66 HB2 ARG 9 HB2 ARG 9 -1.311 -1.142 -7.549 67 HB3 ARG 9 HB3 ARG 9 -2.853 -1.202 -8.413 68 HG2 ARG 9 HG2 ARG 9 -2.849 1.361 -8.136 69 HG3 ARG 9 HG3 ARG 9 -1.214 1.136 -7.456 70 HD2 ARG 9 HD2 ARG 9 -0.769 1.486 -9.755 71 HD3 ARG 9 HD3 ARG 9 -0.720 -0.293 -9.592 72 HE ARG 9 HE ARG 9 -3.285 0.007 -10.250 73 HH11 ARG 9 HH11 ARG 9 -0.457 1.567 -11.796 74 HH12 ARG 9 HH12 ARG 9 -1.203 1.596 -13.339 75 HH21 ARG 9 HH21 ARG 9 -4.267 0.193 -12.203 76 HH22 ARG 9 HH22 ARG 9 -3.464 0.964 -13.552 77 H ASN 10 HN ASN 10 -5.210 -1.437 -7.391 78 HA ASN 10 HA ASN 10 -6.574 -3.171 -7.563 79 HB2 ASN 10 HB2 ASN 10 -4.691 -4.304 -8.674 80 HB3 ASN 10 HB3 ASN 10 -4.206 -5.007 -7.132 81 HD21 ASN 10 HD21 ASN 10 -4.595 -7.136 -7.678 82 HD22 ASN 10 HD22 ASN 10 -6.110 -7.788 -8.247 83 H LEU 11 HN LEU 11 -6.179 -1.812 -4.962 84 HA LEU 11 HA LEU 11 -6.766 -3.786 -2.933 85 HB2 LEU 11 HB2 LEU 11 -7.322 -0.803 -3.191 86 HB3 LEU 11 HB3 LEU 11 -7.630 -1.746 -1.761 87 HG LEU 11 HG LEU 11 -5.607 -0.317 -1.770 88 HD11 LEU 11 HD11 LEU 11 -4.061 -1.926 -0.637 89 HD12 LEU 11 HD12 LEU 11 -5.027 -3.265 -1.274 90 HD13 LEU 11 HD13 LEU 11 -5.752 -2.125 -0.119 91 HD21 LEU 11 HD21 LEU 11 -4.101 -2.307 -3.377 92 HD22 LEU 11 HD22 LEU 11 -3.601 -0.730 -2.752 93 HD23 LEU 11 HD23 LEU 11 -4.787 -0.811 -4.046 94 H ASN 12 HN ASN 12 -8.690 -4.852 -2.884 95 HA ASN 12 HA ASN 12 -10.951 -4.207 -4.671 96 HB2 ASN 12 HB2 ASN 12 -10.297 -6.379 -2.709 97 HB3 ASN 12 HB3 ASN 12 -11.972 -5.887 -2.762 98 HD21 ASN 12 HD21 ASN 12 -12.323 -8.130 -3.316 99 HD22 ASN 12 HD22 ASN 12 -12.186 -8.558 -5.000 100 HA PRO 13 HA PRO 13 -12.615 -1.268 -1.937 101 HB2 PRO 13 HB2 PRO 13 -15.281 -1.465 -2.340 102 HB3 PRO 13 HB3 PRO 13 -14.163 -0.945 -3.644 103 HG2 PRO 13 HG2 PRO 13 -15.378 -3.679 -3.143 104 HG3 PRO 13 HG3 PRO 13 -15.287 -2.764 -4.677 105 HD2 PRO 13 HD2 PRO 13 -13.495 -4.704 -4.012 106 HD3 PRO 13 HD3 PRO 13 -13.038 -3.261 -4.955 107 H HIS 14 HN HIS 14 -13.441 -4.618 -1.326 108 HA HIS 14 HA HIS 14 -15.122 -4.110 0.959 109 HB2 HIS 14 HB2 HIS 14 -13.702 -6.728 0.409 110 HB3 HIS 14 HB3 HIS 14 -15.235 -6.444 1.195 111 HD1 HIS 14 HD1 HIS 14 -14.284 -8.097 -1.687 112 HD2 HIS 14 HD2 HIS 14 -16.744 -4.730 -1.041 113 HE1 HIS 14 HE1 HIS 14 -15.832 -7.939 -3.700 114 H SER 15 HN SER 15 -11.680 -4.347 0.461 115 HA SER 15 HA SER 15 -11.074 -4.490 3.354 116 HB2 SER 15 HB2 SER 15 -9.358 -3.963 0.878 117 HB3 SER 15 HB3 SER 15 -8.767 -4.074 2.540 118 HG SER 15 HG SER 15 -10.168 -6.281 2.063 119 H THR 16 HN THR 16 -9.711 -2.625 4.167 120 HA THR 16 HA THR 16 -10.346 -0.031 2.907 121 HB THR 16 HB THR 16 -11.902 -0.228 4.651 122 HG1 THR 16 HG1 THR 16 -11.484 1.554 5.618 123 HG21 THR 16 HG21 THR 16 -9.759 -0.663 6.771 124 HG22 THR 16 HG22 THR 16 -10.810 -1.955 6.132 125 HG23 THR 16 HG23 THR 16 -11.507 -0.576 6.969 126 H MET 17 HN MET 17 -8.415 -1.181 5.676 127 HA MET 17 HA MET 17 -5.902 -0.842 4.185 128 HB2 MET 17 HB2 MET 17 -4.988 0.876 5.638 129 HB3 MET 17 HB3 MET 17 -6.493 1.413 4.883 130 HG2 MET 17 HG2 MET 17 -7.648 0.709 7.082 131 HG3 MET 17 HG3 MET 17 -6.016 0.780 7.764 132 HE1 MET 17 HE1 MET 17 -8.061 4.010 8.900 133 HE2 MET 17 HE2 MET 17 -8.698 2.382 8.577 134 HE3 MET 17 HE3 MET 17 -7.189 2.576 9.493 135 H ASP 18 HN ASP 18 -7.385 -1.190 7.437 136 HA ASP 18 HA ASP 18 -5.328 -2.597 8.640 137 HB2 ASP 18 HB2 ASP 18 -7.242 -1.496 9.734 138 HB3 ASP 18 HB3 ASP 18 -8.306 -2.788 9.146 139 H SER 19 HN SER 19 -7.811 -3.777 6.459 140 HA SER 19 HA SER 19 -7.606 -6.558 6.866 141 HB2 SER 19 HB2 SER 19 -7.895 -5.289 4.137 142 HB3 SER 19 HB3 SER 19 -8.726 -6.704 4.776 143 HG SER 19 HG SER 19 -10.138 -5.463 5.761 144 H ILE 20 HN ILE 20 -5.487 -4.278 5.191 145 HA ILE 20 HA ILE 20 -3.947 -6.433 3.870 146 HB ILE 20 HB ILE 20 -3.876 -3.400 3.555 147 HG12 ILE 20 HG12 ILE 20 -4.812 -4.576 1.150 148 HG13 ILE 20 HG13 ILE 20 -5.651 -5.468 2.395 149 HG21 ILE 20 HG21 ILE 20 -1.732 -4.409 2.900 150 HG22 ILE 20 HG22 ILE 20 -2.591 -5.500 1.784 151 HG23 ILE 20 HG23 ILE 20 -2.599 -3.746 1.516 152 HD11 ILE 20 HD11 ILE 20 -6.878 -3.494 1.644 153 HD12 ILE 20 HD12 ILE 20 -6.520 -3.388 3.381 154 HD13 ILE 20 HD13 ILE 20 -5.581 -2.427 2.214 155 H LEU 21 HN LEU 21 -3.761 -3.819 6.308 156 HA LEU 21 HA LEU 21 -0.982 -3.982 6.760 157 HB2 LEU 21 HB2 LEU 21 -3.326 -3.358 8.633 158 HB3 LEU 21 HB3 LEU 21 -1.669 -3.213 9.170 159 HG LEU 21 HG LEU 21 -2.719 -1.613 6.802 160 HD11 LEU 21 HD11 LEU 21 -2.559 -0.751 9.728 161 HD12 LEU 21 HD12 LEU 21 -4.053 -0.977 8.801 162 HD13 LEU 21 HD13 LEU 21 -2.932 0.296 8.345 163 HD21 LEU 21 HD21 LEU 21 -0.804 -0.121 7.511 164 HD22 LEU 21 HD22 LEU 21 -0.281 -1.716 6.909 165 HD23 LEU 21 HD23 LEU 21 -0.308 -1.360 8.648 166 H GLY 22 HN GLY 22 -3.614 -6.036 8.068 167 HA2 GLY 22 HA1 GLY 22 -1.700 -7.501 9.745 168 HA3 GLY 22 HA2 GLY 22 -3.448 -7.709 9.662 169 H ALA 23 HN ALA 23 -1.860 -7.715 6.559 170 HA ALA 23 HA ALA 23 -1.602 -10.679 6.549 171 HB1 ALA 23 HB1 ALA 23 -3.021 -10.860 4.528 172 HB2 ALA 23 HB2 ALA 23 -3.940 -10.262 5.923 173 HB3 ALA 23 HB3 ALA 23 -3.413 -9.130 4.654 174 H LEU 24 HN LEU 24 -1.001 -7.567 4.855 175 HA LEU 24 HA LEU 24 0.744 -8.873 2.871 176 HB2 LEU 24 HB2 LEU 24 -1.074 -6.997 2.507 177 HB3 LEU 24 HB3 LEU 24 0.153 -5.918 3.155 178 HG LEU 24 HG LEU 24 1.686 -7.076 1.251 179 HD11 LEU 24 HD11 LEU 24 0.401 -7.732 -0.716 180 HD12 LEU 24 HD12 LEU 24 -1.130 -7.452 0.140 181 HD13 LEU 24 HD13 LEU 24 -0.045 -8.747 0.659 182 HD21 LEU 24 HD21 LEU 24 -0.474 -5.057 0.531 183 HD22 LEU 24 HD22 LEU 24 1.046 -5.350 -0.346 184 HD23 LEU 24 HD23 LEU 24 1.094 -4.683 1.286 185 H ALA 25 HN ALA 25 1.392 -8.389 5.974 186 HA ALA 25 HA ALA 25 3.770 -6.612 5.619 187 HB1 ALA 25 HB1 ALA 25 2.016 -5.709 6.913 188 HB2 ALA 25 HB2 ALA 25 2.007 -7.150 7.974 189 HB3 ALA 25 HB3 ALA 25 3.436 -6.102 7.897 190 HA PRO 26 HA PRO 26 5.572 -10.652 7.217 191 HB2 PRO 26 HB2 PRO 26 6.938 -11.554 5.000 192 HB3 PRO 26 HB3 PRO 26 5.337 -12.121 5.537 193 HG2 PRO 26 HG2 PRO 26 5.966 -10.206 3.307 194 HG3 PRO 26 HG3 PRO 26 4.677 -11.421 3.415 195 HD2 PRO 26 HD2 PRO 26 4.367 -8.684 3.932 196 HD3 PRO 26 HD3 PRO 26 3.287 -9.974 4.518 197 H TYR 27 HN TYR 27 6.664 -7.900 5.182 198 HA TYR 27 HA TYR 27 9.309 -8.045 6.572 199 HB2 TYR 27 HB2 TYR 27 8.738 -7.128 3.745 200 HB3 TYR 27 HB3 TYR 27 10.300 -7.061 4.555 201 HD1 TYR 27 HD1 TYR 27 11.550 -9.150 5.128 202 HD2 TYR 27 HD2 TYR 27 7.815 -9.241 3.004 203 HE1 TYR 27 HE1 TYR 27 11.943 -11.509 4.554 204 HE2 TYR 27 HE2 TYR 27 8.146 -11.619 2.456 205 HH TYR 27 HH TYR 27 11.288 -13.089 2.913 206 H ALA 28 HN ALA 28 6.610 -5.937 5.729 207 HA ALA 28 HA ALA 28 7.765 -4.018 7.641 208 HB1 ALA 28 HB1 ALA 28 6.966 -3.314 4.805 209 HB2 ALA 28 HB2 ALA 28 6.837 -2.144 6.152 210 HB3 ALA 28 HB3 ALA 28 8.400 -2.848 5.747 211 H VAL 29 HN VAL 29 6.360 -4.303 9.156 212 HA VAL 29 HA VAL 29 3.463 -4.172 8.687 213 HB VAL 29 HB VAL 29 5.059 -4.147 11.289 214 HG11 VAL 29 HG11 VAL 29 2.082 -4.561 10.760 215 HG12 VAL 29 HG12 VAL 29 2.872 -4.709 12.336 216 HG13 VAL 29 HG13 VAL 29 2.812 -3.135 11.535 217 HG21 VAL 29 HG21 VAL 29 5.279 -6.351 10.101 218 HG22 VAL 29 HG22 VAL 29 4.435 -6.437 11.641 219 HG23 VAL 29 HG23 VAL 29 3.511 -6.498 10.134 220 H LEU 30 HN LEU 30 2.636 -2.209 8.265 221 HA LEU 30 HA LEU 30 3.980 0.242 9.257 222 HB2 LEU 30 HB2 LEU 30 1.542 0.013 7.470 223 HB3 LEU 30 HB3 LEU 30 2.480 1.447 7.804 224 HG LEU 30 HG LEU 30 2.966 0.912 5.698 225 HD11 LEU 30 HD11 LEU 30 5.015 1.445 6.961 226 HD12 LEU 30 HD12 LEU 30 5.374 0.380 5.589 227 HD13 LEU 30 HD13 LEU 30 5.308 -0.285 7.224 228 HD21 LEU 30 HD21 LEU 30 2.052 -1.382 5.654 229 HD22 LEU 30 HD22 LEU 30 3.644 -1.954 6.188 230 HD23 LEU 30 HD23 LEU 30 3.491 -1.084 4.653 231 H SER 31 HN SER 31 2.221 1.977 9.789 232 HA SER 31 HA SER 31 0.000 0.898 11.476 233 HB2 SER 31 HB2 SER 31 1.439 3.576 11.591 234 HB3 SER 31 HB3 SER 31 0.094 3.059 12.646 235 HG SER 31 HG SER 31 1.481 2.002 13.830 236 H SER 32 HN SER 32 -2.044 2.125 11.279 237 HA SER 32 HA SER 32 -2.807 2.597 8.604 238 HB2 SER 32 HB2 SER 32 -4.943 3.143 9.486 239 HB3 SER 32 HB3 SER 32 -4.276 1.891 10.546 240 HG SER 32 HG SER 32 -5.002 3.423 11.933 241 H SER 33 HN SER 33 -1.412 4.811 10.985 242 HA SER 33 HA SER 33 -2.053 7.287 9.818 243 HB2 SER 33 HB2 SER 33 0.236 7.888 10.803 244 HB3 SER 33 HB3 SER 33 -0.956 7.230 11.933 245 HG SER 33 HG SER 33 1.371 5.959 10.877 246 H ASN 34 HN ASN 34 0.462 4.920 9.101 247 HA ASN 34 HA ASN 34 1.828 6.601 7.165 248 HB2 ASN 34 HB2 ASN 34 2.232 3.779 8.210 249 HB3 ASN 34 HB3 ASN 34 3.248 4.513 6.978 250 HD21 ASN 34 HD21 ASN 34 5.033 5.454 7.775 251 HD22 ASN 34 HD22 ASN 34 5.208 6.045 9.429 252 H VAL 35 HN VAL 35 -0.544 4.022 7.169 253 HA VAL 35 HA VAL 35 -0.434 3.786 4.228 254 HB VAL 35 HB VAL 35 -2.051 2.163 6.223 255 HG11 VAL 35 HG11 VAL 35 -1.710 2.061 3.189 256 HG12 VAL 35 HG12 VAL 35 -2.337 0.689 4.149 257 HG13 VAL 35 HG13 VAL 35 -3.211 2.219 4.096 258 HG21 VAL 35 HG21 VAL 35 0.514 1.698 4.615 259 HG22 VAL 35 HG22 VAL 35 0.337 1.692 6.376 260 HG23 VAL 35 HG23 VAL 35 -0.393 0.403 5.411 261 H ARG 36 HN ARG 36 -1.023 5.743 3.623 262 HA ARG 36 HA ARG 36 -3.515 7.022 4.354 263 HB2 ARG 36 HB2 ARG 36 -1.337 7.994 3.153 264 HB3 ARG 36 HB3 ARG 36 -2.203 7.501 1.706 265 HG2 ARG 36 HG2 ARG 36 -3.122 9.486 3.810 266 HG3 ARG 36 HG3 ARG 36 -2.696 9.788 2.119 267 HD2 ARG 36 HD2 ARG 36 -4.654 8.090 1.613 268 HD3 ARG 36 HD3 ARG 36 -5.165 8.463 3.266 269 HE ARG 36 HE ARG 36 -4.648 10.631 1.283 270 HH11 ARG 36 HH11 ARG 36 -7.170 9.000 3.295 271 HH12 ARG 36 HH12 ARG 36 -8.101 10.476 3.340 272 HH21 ARG 36 HH21 ARG 36 -5.892 12.358 1.385 273 HH22 ARG 36 HH22 ARG 36 -7.393 12.395 2.268 274 H VAL 37 HN VAL 37 -5.421 6.049 3.982 275 HA VAL 37 HA VAL 37 -5.928 5.064 1.231 276 HB VAL 37 HB VAL 37 -7.287 4.042 3.767 277 HG11 VAL 37 HG11 VAL 37 -8.911 4.075 1.900 278 HG12 VAL 37 HG12 VAL 37 -7.733 3.317 0.821 279 HG13 VAL 37 HG13 VAL 37 -8.409 2.424 2.218 280 HG21 VAL 37 HG21 VAL 37 -6.255 1.859 2.776 281 HG22 VAL 37 HG22 VAL 37 -5.287 2.925 1.770 282 HG23 VAL 37 HG23 VAL 37 -5.151 3.015 3.539 283 H ILE 38 HN ILE 38 -7.365 6.149 0.135 284 HA ILE 38 HA ILE 38 -9.047 8.243 1.408 285 HB ILE 38 HB ILE 38 -8.716 7.403 -1.487 286 HG12 ILE 38 HG12 ILE 38 -7.410 9.786 -0.137 287 HG13 ILE 38 HG13 ILE 38 -6.580 8.326 -0.687 288 HG21 ILE 38 HG21 ILE 38 -9.931 9.485 -2.031 289 HG22 ILE 38 HG22 ILE 38 -10.898 8.555 -0.905 290 HG23 ILE 38 HG23 ILE 38 -9.954 9.943 -0.319 291 HD11 ILE 38 HD11 ILE 38 -7.895 10.440 -2.397 292 HD12 ILE 38 HD12 ILE 38 -6.218 9.877 -2.414 293 HD13 ILE 38 HD13 ILE 38 -7.530 8.827 -3.020 294 H LYS 39 HN LYS 39 -11.175 7.680 1.849 295 HA LYS 39 HA LYS 39 -12.277 5.254 0.530 296 HB2 LYS 39 HB2 LYS 39 -13.195 6.407 3.163 297 HB3 LYS 39 HB3 LYS 39 -13.809 4.993 2.350 298 HG2 LYS 39 HG2 LYS 39 -12.546 4.106 4.057 299 HG3 LYS 39 HG3 LYS 39 -11.501 3.913 2.661 300 HD2 LYS 39 HD2 LYS 39 -9.981 5.540 3.415 301 HD3 LYS 39 HD3 LYS 39 -11.173 6.386 4.399 302 HE2 LYS 39 HE2 LYS 39 -10.234 3.579 5.080 303 HE3 LYS 39 HE3 LYS 39 -9.345 5.014 5.605 304 HZ1 LYS 39 HZ1 LYS 39 -11.248 5.766 6.818 305 HZ2 LYS 39 HZ2 LYS 39 -10.978 4.198 7.249 306 HZ3 LYS 39 HZ3 LYS 39 -12.204 4.571 6.236 307 H ASP 40 HN ASP 40 -14.363 5.482 -0.405 308 HA ASP 40 HA ASP 40 -15.179 8.099 -1.295 309 HB2 ASP 40 HB2 ASP 40 -15.464 5.846 -2.410 310 HB3 ASP 40 HB3 ASP 40 -16.621 5.450 -1.126 311 H LYS 41 HN LYS 41 -17.464 8.999 -0.719 312 HA LYS 41 HA LYS 41 -18.096 8.570 2.178 313 HB2 LYS 41 HB2 LYS 41 -17.102 10.919 1.149 314 HB3 LYS 41 HB3 LYS 41 -18.831 11.161 0.926 315 HG2 LYS 41 HG2 LYS 41 -19.018 10.362 3.424 316 HG3 LYS 41 HG3 LYS 41 -17.293 10.686 3.512 317 HD2 LYS 41 HD2 LYS 41 -19.438 12.703 2.743 318 HD3 LYS 41 HD3 LYS 41 -18.747 12.530 4.360 319 HE2 LYS 41 HE2 LYS 41 -16.531 13.152 3.517 320 HE3 LYS 41 HE3 LYS 41 -17.173 13.278 1.866 321 HZ1 LYS 41 HZ1 LYS 41 -17.906 15.005 4.165 322 HZ2 LYS 41 HZ2 LYS 41 -18.654 15.045 2.708 323 HZ3 LYS 41 HZ3 LYS 41 -17.054 15.439 2.847 324 H GLN 42 HN GLN 42 -19.249 7.541 -0.552 325 HA GLN 42 HA GLN 42 -22.119 8.143 -0.057 326 HB2 GLN 42 HB2 GLN 42 -20.868 7.646 -2.675 327 HB3 GLN 42 HB3 GLN 42 -22.524 8.113 -2.338 328 HG2 GLN 42 HG2 GLN 42 -21.675 10.286 -1.412 329 HG3 GLN 42 HG3 GLN 42 -20.038 9.826 -1.915 330 HE21 GLN 42 HE21 GLN 42 -23.110 11.036 -2.979 331 HE22 GLN 42 HE22 GLN 42 -22.704 11.182 -4.689 332 H THR 43 HN THR 43 -19.748 5.821 -1.439 333 HA THR 43 HA THR 43 -21.620 3.567 -0.898 334 HB THR 43 HB THR 43 -20.573 3.725 -3.103 335 HG1 THR 43 HG1 THR 43 -20.885 1.785 -3.020 336 HG21 THR 43 HG21 THR 43 -18.124 3.211 -3.388 337 HG22 THR 43 HG22 THR 43 -17.991 3.934 -1.790 338 HG23 THR 43 HG23 THR 43 -18.712 4.825 -3.147 339 H GLN 44 HN GLN 44 -19.008 5.257 0.460 340 HA GLN 44 HA GLN 44 -17.675 5.039 2.214 341 HB2 GLN 44 HB2 GLN 44 -18.860 2.313 2.877 342 HB3 GLN 44 HB3 GLN 44 -17.849 3.312 3.897 343 HG2 GLN 44 HG2 GLN 44 -20.679 3.924 3.017 344 HG3 GLN 44 HG3 GLN 44 -20.104 3.549 4.636 345 HE21 GLN 44 HE21 GLN 44 -21.258 6.064 2.965 346 HE22 GLN 44 HE22 GLN 44 -20.405 7.366 3.741 347 H LEU 45 HN LEU 45 -17.550 2.885 -0.442 348 HA LEU 45 HA LEU 45 -15.549 1.072 0.411 349 HB2 LEU 45 HB2 LEU 45 -15.728 2.221 -2.383 350 HB3 LEU 45 HB3 LEU 45 -15.109 0.647 -1.916 351 HG LEU 45 HG LEU 45 -17.960 1.590 -1.735 352 HD11 LEU 45 HD11 LEU 45 -17.050 1.273 -3.997 353 HD12 LEU 45 HD12 LEU 45 -18.394 0.140 -3.630 354 HD13 LEU 45 HD13 LEU 45 -16.718 -0.415 -3.645 355 HD21 LEU 45 HD21 LEU 45 -17.067 -1.257 -1.177 356 HD22 LEU 45 HD22 LEU 45 -18.720 -0.571 -1.166 357 HD23 LEU 45 HD23 LEU 45 -17.553 -0.064 0.041 358 H ASN 46 HN ASN 46 -13.323 1.027 -0.976 359 HA ASN 46 HA ASN 46 -11.838 3.541 -0.390 360 HB2 ASN 46 HB2 ASN 46 -9.815 2.397 -0.259 361 HB3 ASN 46 HB3 ASN 46 -10.966 1.420 0.666 362 HD21 ASN 46 HD21 ASN 46 -10.863 -0.825 0.295 363 HD22 ASN 46 HD22 ASN 46 -10.303 -1.468 -1.198 364 H ARG 47 HN ARG 47 -10.158 4.038 -2.054 365 HA ARG 47 HA ARG 47 -11.560 4.323 -4.610 366 HB2 ARG 47 HB2 ARG 47 -8.787 5.245 -3.764 367 HB3 ARG 47 HB3 ARG 47 -9.579 5.689 -5.273 368 HG2 ARG 47 HG2 ARG 47 -10.726 6.430 -2.570 369 HG3 ARG 47 HG3 ARG 47 -9.548 7.407 -3.460 370 HD2 ARG 47 HD2 ARG 47 -12.342 6.760 -4.419 371 HD3 ARG 47 HD3 ARG 47 -11.731 8.284 -3.714 372 HE ARG 47 HE ARG 47 -10.149 7.600 -5.990 373 HH11 ARG 47 HH11 ARG 47 -13.331 8.936 -5.098 374 HH12 ARG 47 HH12 ARG 47 -13.616 9.640 -6.654 375 HH21 ARG 47 HH21 ARG 47 -10.379 8.794 -7.912 376 HH22 ARG 47 HH22 ARG 47 -11.780 9.805 -8.166 377 H GLY 48 HN GLY 48 -9.465 1.860 -3.570 378 HA2 GLY 48 HA1 GLY 48 -8.829 0.073 -4.820 379 HA3 GLY 48 HA2 GLY 48 -8.850 1.008 -6.304 380 H PHE 49 HN PHE 49 -7.152 2.459 -3.630 381 HA PHE 49 HA PHE 49 -4.569 1.267 -4.213 382 HB2 PHE 49 HB2 PHE 49 -3.508 3.479 -4.767 383 HB3 PHE 49 HB3 PHE 49 -4.502 2.772 -6.019 384 HD1 PHE 49 HD1 PHE 49 -4.232 5.541 -3.567 385 HD2 PHE 49 HD2 PHE 49 -6.554 3.802 -6.761 386 HE1 PHE 49 HE1 PHE 49 -5.584 7.633 -3.749 387 HE2 PHE 49 HE2 PHE 49 -7.885 5.873 -6.923 388 HZ PHE 49 HZ PHE 49 -7.406 7.803 -5.409 389 H ALA 50 HN ALA 50 -2.858 2.498 -2.841 390 HA ALA 50 HA ALA 50 -3.829 4.055 -0.616 391 HB1 ALA 50 HB1 ALA 50 -2.501 1.357 -0.054 392 HB2 ALA 50 HB2 ALA 50 -2.989 2.575 1.145 393 HB3 ALA 50 HB3 ALA 50 -4.222 1.710 0.212 394 H PHE 51 HN PHE 51 -1.845 4.730 0.721 395 HA PHE 51 HA PHE 51 0.684 4.720 -0.887 396 HB2 PHE 51 HB2 PHE 51 -0.517 7.058 0.640 397 HB3 PHE 51 HB3 PHE 51 0.969 7.075 -0.203 398 HD1 PHE 51 HD1 PHE 51 1.052 7.229 -2.652 399 HD2 PHE 51 HD2 PHE 51 -2.692 7.241 -0.527 400 HE1 PHE 51 HE1 PHE 51 -0.094 8.067 -4.683 401 HE2 PHE 51 HE2 PHE 51 -3.814 8.189 -2.517 402 HZ PHE 51 HZ PHE 51 -2.525 8.574 -4.613 403 H ILE 52 HN ILE 52 2.282 3.867 0.369 404 HA ILE 52 HA ILE 52 2.095 3.775 3.313 405 HB ILE 52 HB ILE 52 4.003 2.514 1.343 406 HG12 ILE 52 HG12 ILE 52 1.800 1.114 2.876 407 HG13 ILE 52 HG13 ILE 52 1.671 1.618 1.185 408 HG21 ILE 52 HG21 ILE 52 4.583 1.060 3.433 409 HG22 ILE 52 HG22 ILE 52 5.237 2.686 3.288 410 HG23 ILE 52 HG23 ILE 52 3.847 2.391 4.345 411 HD11 ILE 52 HD11 ILE 52 3.578 0.141 0.596 412 HD12 ILE 52 HD12 ILE 52 3.556 -0.489 2.259 413 HD13 ILE 52 HD13 ILE 52 2.156 -0.711 1.218 414 H GLN 53 HN GLN 53 3.048 5.435 4.354 415 HA GLN 53 HA GLN 53 5.212 7.049 3.092 416 HB2 GLN 53 HB2 GLN 53 3.256 7.513 5.386 417 HB3 GLN 53 HB3 GLN 53 4.788 8.364 5.313 418 HG2 GLN 53 HG2 GLN 53 3.322 9.869 4.364 419 HG3 GLN 53 HG3 GLN 53 4.151 9.181 2.978 420 HE21 GLN 53 HE21 GLN 53 2.811 7.036 2.214 421 HE22 GLN 53 HE22 GLN 53 1.069 7.201 2.209 422 H LEU 54 HN LEU 54 7.260 6.883 3.869 423 HA LEU 54 HA LEU 54 7.875 5.319 6.261 424 HB2 LEU 54 HB2 LEU 54 8.487 4.447 3.460 425 HB3 LEU 54 HB3 LEU 54 9.680 4.091 4.701 426 HG LEU 54 HG LEU 54 6.776 3.225 4.837 427 HD11 LEU 54 HD11 LEU 54 7.979 2.112 2.998 428 HD12 LEU 54 HD12 LEU 54 7.647 0.980 4.306 429 HD13 LEU 54 HD13 LEU 54 9.283 1.641 4.118 430 HD21 LEU 54 HD21 LEU 54 7.677 3.374 7.080 431 HD22 LEU 54 HD22 LEU 54 9.181 2.544 6.592 432 HD23 LEU 54 HD23 LEU 54 7.633 1.678 6.620 433 H SER 55 HN SER 55 10.741 5.322 5.435 434 HA SER 55 HA SER 55 11.344 8.193 5.928 435 HB2 SER 55 HB2 SER 55 12.107 6.147 7.441 436 HB3 SER 55 HB3 SER 55 13.276 5.886 6.141 437 HG SER 55 HG SER 55 14.311 7.079 7.504 438 H THR 56 HN THR 56 13.281 8.970 4.698 439 HA THR 56 HA THR 56 12.903 8.850 1.957 440 HB THR 56 HB THR 56 14.949 10.178 1.819 441 HG1 THR 56 HG1 THR 56 15.310 9.774 4.601 442 HG21 THR 56 HG21 THR 56 13.373 10.876 4.325 443 HG22 THR 56 HG22 THR 56 12.873 11.280 2.676 444 HG23 THR 56 HG23 THR 56 14.348 11.998 3.397 445 H ILE 57 HN ILE 57 14.732 6.772 3.785 446 HA ILE 57 HA ILE 57 16.083 5.539 1.407 447 HB ILE 57 HB ILE 57 16.892 5.363 4.332 448 HG12 ILE 57 HG12 ILE 57 18.073 7.022 2.048 449 HG13 ILE 57 HG13 ILE 57 17.238 7.643 3.477 450 HG21 ILE 57 HG21 ILE 57 18.267 4.412 1.782 451 HG22 ILE 57 HG22 ILE 57 18.942 4.288 3.424 452 HG23 ILE 57 HG23 ILE 57 17.495 3.381 3.013 453 HD11 ILE 57 HD11 ILE 57 19.949 6.356 3.362 454 HD12 ILE 57 HD12 ILE 57 19.463 7.937 4.013 455 HD13 ILE 57 HD13 ILE 57 19.019 6.460 4.881 456 H GLU 58 HN GLU 58 14.347 4.847 4.469 457 HA GLU 58 HA GLU 58 14.249 2.077 4.350 458 HB2 GLU 58 HB2 GLU 58 12.213 4.080 5.396 459 HB3 GLU 58 HB3 GLU 58 12.105 2.355 5.704 460 HG2 GLU 58 HG2 GLU 58 14.640 3.868 6.443 461 HG3 GLU 58 HG3 GLU 58 13.204 3.927 7.455 462 H ALA 59 HN ALA 59 11.897 4.444 2.948 463 HA ALA 59 HA ALA 59 10.022 2.602 1.962 464 HB1 ALA 59 HB1 ALA 59 9.865 5.156 1.939 465 HB2 ALA 59 HB2 ALA 59 10.923 5.113 0.512 466 HB3 ALA 59 HB3 ALA 59 9.327 4.359 0.442 467 H ALA 60 HN ALA 60 12.886 3.893 0.274 468 HA ALA 60 HA ALA 60 12.647 2.335 -2.090 469 HB1 ALA 60 HB1 ALA 60 14.874 3.134 -2.564 470 HB2 ALA 60 HB2 ALA 60 14.042 4.441 -1.701 471 HB3 ALA 60 HB3 ALA 60 15.210 3.439 -0.843 472 H GLN 61 HN GLN 61 14.592 1.775 0.905 473 HA GLN 61 HA GLN 61 15.875 -0.584 -0.088 474 HB2 GLN 61 HB2 GLN 61 15.479 0.595 2.690 475 HB3 GLN 61 HB3 GLN 61 16.115 -1.034 2.484 476 HG2 GLN 61 HG2 GLN 61 17.829 -0.038 0.861 477 HG3 GLN 61 HG3 GLN 61 17.354 1.553 1.486 478 HE21 GLN 61 HE21 GLN 61 19.172 2.125 2.857 479 HE22 GLN 61 HE22 GLN 61 19.705 1.097 4.155 480 H LEU 62 HN LEU 62 12.984 -0.189 2.001 481 HA LEU 62 HA LEU 62 12.534 -2.968 2.410 482 HB2 LEU 62 HB2 LEU 62 11.544 -0.727 3.535 483 HB3 LEU 62 HB3 LEU 62 10.257 -0.972 2.369 484 HG LEU 62 HG LEU 62 9.499 -1.882 4.227 485 HD11 LEU 62 HD11 LEU 62 10.631 -4.363 2.920 486 HD12 LEU 62 HD12 LEU 62 9.190 -3.434 2.417 487 HD13 LEU 62 HD13 LEU 62 9.218 -4.269 3.974 488 HD21 LEU 62 HD21 LEU 62 11.542 -1.868 5.603 489 HD22 LEU 62 HD22 LEU 62 12.164 -3.293 4.748 490 HD23 LEU 62 HD23 LEU 62 10.727 -3.429 5.774 491 H LEU 63 HN LEU 63 11.250 -0.655 -0.044 492 HA LEU 63 HA LEU 63 9.443 -2.362 -1.265 493 HB2 LEU 63 HB2 LEU 63 9.724 0.044 -1.840 494 HB3 LEU 63 HB3 LEU 63 11.321 -0.290 -2.480 495 HG LEU 63 HG LEU 63 9.968 -1.930 -4.127 496 HD11 LEU 63 HD11 LEU 63 7.757 -1.459 -3.033 497 HD12 LEU 63 HD12 LEU 63 7.795 -1.013 -4.755 498 HD13 LEU 63 HD13 LEU 63 7.934 0.244 -3.519 499 HD21 LEU 63 HD21 LEU 63 10.186 1.079 -4.370 500 HD22 LEU 63 HD22 LEU 63 9.864 -0.037 -5.726 501 HD23 LEU 63 HD23 LEU 63 11.392 -0.120 -4.843 502 H GLN 64 HN GLN 64 12.983 -2.048 -1.831 503 HA GLN 64 HA GLN 64 13.098 -3.855 -4.029 504 HB2 GLN 64 HB2 GLN 64 15.206 -2.979 -1.971 505 HB3 GLN 64 HB3 GLN 64 15.590 -4.033 -3.314 506 HG2 GLN 64 HG2 GLN 64 14.576 -1.195 -3.505 507 HG3 GLN 64 HG3 GLN 64 16.181 -1.813 -3.900 508 HE21 GLN 64 HE21 GLN 64 13.065 -1.171 -5.027 509 HE22 GLN 64 HE22 GLN 64 13.000 -2.124 -6.507 510 H ILE 65 HN ILE 65 13.034 -4.445 -0.671 511 HA ILE 65 HA ILE 65 13.947 -7.207 -0.699 512 HB ILE 65 HB ILE 65 12.038 -5.936 1.299 513 HG12 ILE 65 HG12 ILE 65 15.065 -6.307 1.512 514 HG13 ILE 65 HG13 ILE 65 14.283 -4.799 1.076 515 HG21 ILE 65 HG21 ILE 65 12.826 -7.753 2.825 516 HG22 ILE 65 HG22 ILE 65 11.909 -8.336 1.457 517 HG23 ILE 65 HG23 ILE 65 13.680 -8.492 1.456 518 HD11 ILE 65 HD11 ILE 65 14.248 -6.156 3.753 519 HD12 ILE 65 HD12 ILE 65 14.662 -4.481 3.316 520 HD13 ILE 65 HD13 ILE 65 12.973 -5.004 3.298 521 H LEU 66 HN LEU 66 10.558 -5.924 -0.540 522 HA LEU 66 HA LEU 66 9.298 -8.363 -1.170 523 HB2 LEU 66 HB2 LEU 66 8.343 -5.567 -1.872 524 HB3 LEU 66 HB3 LEU 66 7.380 -7.024 -1.988 525 HG LEU 66 HG LEU 66 6.669 -5.980 -0.045 526 HD11 LEU 66 HD11 LEU 66 8.614 -8.007 1.078 527 HD12 LEU 66 HD12 LEU 66 7.110 -8.456 0.267 528 HD13 LEU 66 HD13 LEU 66 7.061 -7.474 1.757 529 HD21 LEU 66 HD21 LEU 66 8.628 -4.469 0.237 530 HD22 LEU 66 HD22 LEU 66 9.458 -5.786 1.096 531 HD23 LEU 66 HD23 LEU 66 7.932 -5.144 1.728 532 H GLN 67 HN GLN 67 10.806 -6.081 -3.381 533 HA GLN 67 HA GLN 67 9.725 -7.396 -5.797 534 HB2 GLN 67 HB2 GLN 67 11.909 -5.301 -5.429 535 HB3 GLN 67 HB3 GLN 67 11.327 -5.900 -6.988 536 HG2 GLN 67 HG2 GLN 67 9.032 -5.151 -6.412 537 HG3 GLN 67 HG3 GLN 67 9.619 -4.433 -4.924 538 HE21 GLN 67 HE21 GLN 67 8.299 -2.580 -6.553 539 HE22 GLN 67 HE22 GLN 67 9.429 -1.709 -7.486 540 H ALA 68 HN ALA 68 12.459 -7.907 -3.744 541 HA ALA 68 HA ALA 68 13.758 -9.483 -5.795 542 HB1 ALA 68 HB1 ALA 68 14.422 -9.099 -2.832 543 HB2 ALA 68 HB2 ALA 68 15.440 -9.971 -3.987 544 HB3 ALA 68 HB3 ALA 68 15.160 -8.242 -4.209 545 H LEU 69 HN LEU 69 11.618 -10.096 -3.080 546 HA LEU 69 HA LEU 69 11.971 -13.032 -3.300 547 HB2 LEU 69 HB2 LEU 69 10.668 -13.190 -1.249 548 HB3 LEU 69 HB3 LEU 69 12.057 -12.152 -1.111 549 HG LEU 69 HG LEU 69 10.039 -10.332 -1.766 550 HD11 LEU 69 HD11 LEU 69 8.213 -10.717 -0.209 551 HD12 LEU 69 HD12 LEU 69 8.872 -12.317 0.226 552 HD13 LEU 69 HD13 LEU 69 8.247 -12.015 -1.401 553 HD21 LEU 69 HD21 LEU 69 10.980 -11.221 0.987 554 HD22 LEU 69 HD22 LEU 69 10.232 -9.653 0.594 555 HD23 LEU 69 HD23 LEU 69 11.818 -10.092 -0.067 556 H HIS 70 HN HIS 70 9.338 -13.811 -2.587 557 HA HIS 70 HA HIS 70 8.091 -14.052 -5.128 558 HB2 HIS 70 HB2 HIS 70 7.394 -14.704 -2.288 559 HB3 HIS 70 HB3 HIS 70 6.029 -14.518 -3.364 560 HD1 HIS 70 HD1 HIS 70 5.635 -16.442 -5.250 561 HD2 HIS 70 HD2 HIS 70 9.069 -16.835 -2.799 562 HE1 HIS 70 HE1 HIS 70 6.475 -18.782 -5.575 563 HA PRO 71 HA PRO 71 5.660 -10.400 -5.598 564 HB2 PRO 71 HB2 PRO 71 3.229 -11.406 -6.577 565 HB3 PRO 71 HB3 PRO 71 4.728 -11.179 -7.519 566 HG2 PRO 71 HG2 PRO 71 3.681 -13.682 -6.188 567 HG3 PRO 71 HG3 PRO 71 4.373 -13.502 -7.833 568 HD2 PRO 71 HD2 PRO 71 5.842 -14.439 -5.779 569 HD3 PRO 71 HD3 PRO 71 6.577 -13.347 -6.978 570 HA PRO 72 HA PRO 72 3.200 -9.534 -2.107 571 HB2 PRO 72 HB2 PRO 72 1.024 -8.067 -3.060 572 HB3 PRO 72 HB3 PRO 72 2.696 -7.417 -2.873 573 HG2 PRO 72 HG2 PRO 72 1.378 -8.625 -5.320 574 HG3 PRO 72 HG3 PRO 72 2.287 -7.077 -5.216 575 HD2 PRO 72 HD2 PRO 72 3.456 -9.255 -6.155 576 HD3 PRO 72 HD3 PRO 72 4.336 -8.243 -4.985 577 H LEU 73 HN LEU 73 1.295 -10.033 -0.885 578 HA LEU 73 HA LEU 73 -0.131 -12.371 -1.725 579 HB2 LEU 73 HB2 LEU 73 0.512 -10.911 0.699 580 HB3 LEU 73 HB3 LEU 73 -1.212 -11.071 0.657 581 HG LEU 73 HG LEU 73 0.162 -13.602 -0.072 582 HD11 LEU 73 HD11 LEU 73 0.667 -12.466 2.687 583 HD12 LEU 73 HD12 LEU 73 1.897 -12.685 1.417 584 HD13 LEU 73 HD13 LEU 73 1.081 -14.106 2.092 585 HD21 LEU 73 HD21 LEU 73 -1.334 -14.481 1.682 586 HD22 LEU 73 HD22 LEU 73 -2.193 -13.492 0.499 587 HD23 LEU 73 HD23 LEU 73 -1.802 -12.815 2.101 588 H THR 74 HN THR 74 -2.534 -12.301 -0.962 589 HA THR 74 HA THR 74 -4.037 -10.021 -2.019 590 HB THR 74 HB THR 74 -4.297 -11.365 -3.902 591 HG1 THR 74 HG1 THR 74 -6.226 -12.742 -2.428 592 HG21 THR 74 HG21 THR 74 -3.037 -13.295 -3.408 593 HG22 THR 74 HG22 THR 74 -4.639 -13.738 -3.978 594 HG23 THR 74 HG23 THR 74 -4.268 -13.872 -2.239 595 H ILE 75 HN ILE 75 -6.047 -9.839 -0.895 596 HA ILE 75 HA ILE 75 -6.458 -11.598 1.460 597 HB ILE 75 HB ILE 75 -6.947 -8.628 1.708 598 HG12 ILE 75 HG12 ILE 75 -4.696 -8.518 2.935 599 HG13 ILE 75 HG13 ILE 75 -4.187 -9.891 1.973 600 HG21 ILE 75 HG21 ILE 75 -7.716 -10.271 3.432 601 HG22 ILE 75 HG22 ILE 75 -6.032 -10.789 3.661 602 HG23 ILE 75 HG23 ILE 75 -6.544 -9.141 4.072 603 HD11 ILE 75 HD11 ILE 75 -3.395 -7.674 1.201 604 HD12 ILE 75 HD12 ILE 75 -4.371 -8.443 -0.060 605 HD13 ILE 75 HD13 ILE 75 -5.066 -7.140 0.933 606 H ASP 76 HN ASP 76 -7.726 -11.252 -1.289 607 HA ASP 76 HA ASP 76 -10.486 -11.515 -0.638 608 HB2 ASP 76 HB2 ASP 76 -9.912 -8.920 -0.329 609 HB3 ASP 76 HB3 ASP 76 -10.139 -8.857 -2.033 610 H GLY 77 HN GLY 77 -8.351 -12.636 -2.429 611 HA2 GLY 77 HA1 GLY 77 -8.115 -13.432 -4.539 612 HA3 GLY 77 HA2 GLY 77 -9.769 -12.921 -4.879 613 H LYS 78 HN LYS 78 -7.388 -10.318 -3.890 614 HA LYS 78 HA LYS 78 -7.077 -9.588 -6.729 615 HB2 LYS 78 HB2 LYS 78 -6.733 -7.311 -5.419 616 HB3 LYS 78 HB3 LYS 78 -8.270 -7.817 -6.065 617 HG2 LYS 78 HG2 LYS 78 -8.555 -6.850 -3.934 618 HG3 LYS 78 HG3 LYS 78 -9.053 -8.523 -3.871 619 HD2 LYS 78 HD2 LYS 78 -7.405 -9.047 -2.249 620 HD3 LYS 78 HD3 LYS 78 -6.283 -7.911 -3.011 621 HE2 LYS 78 HE2 LYS 78 -6.469 -6.886 -1.113 622 HE3 LYS 78 HE3 LYS 78 -7.471 -6.100 -2.341 623 HZ1 LYS 78 HZ1 LYS 78 -8.558 -7.825 -0.176 624 HZ2 LYS 78 HZ2 LYS 78 -9.448 -6.853 -1.127 625 HZ3 LYS 78 HZ3 LYS 78 -8.474 -6.226 -0.009 626 H THR 79 HN THR 79 -4.856 -10.223 -7.248 627 HA THR 79 HA THR 79 -2.946 -10.161 -5.086 628 HB THR 79 HB THR 79 -2.141 -9.818 -7.934 629 HG1 THR 79 HG1 THR 79 -2.933 -11.577 -8.477 630 HG21 THR 79 HG21 THR 79 -0.213 -11.210 -7.180 631 HG22 THR 79 HG22 THR 79 -0.939 -11.306 -5.560 632 HG23 THR 79 HG23 THR 79 -0.386 -9.746 -6.217 633 H ILE 80 HN ILE 80 -2.263 -8.323 -4.104 634 HA ILE 80 HA ILE 80 -2.967 -5.732 -5.059 635 HB ILE 80 HB ILE 80 -0.825 -6.621 -3.099 636 HG12 ILE 80 HG12 ILE 80 -2.939 -7.482 -2.308 637 HG13 ILE 80 HG13 ILE 80 -2.480 -6.112 -1.320 638 HG21 ILE 80 HG21 ILE 80 -1.080 -4.426 -2.049 639 HG22 ILE 80 HG22 ILE 80 -0.378 -4.349 -3.654 640 HG23 ILE 80 HG23 ILE 80 -2.084 -3.874 -3.404 641 HD11 ILE 80 HD11 ILE 80 -4.063 -4.680 -2.754 642 HD12 ILE 80 HD12 ILE 80 -4.634 -6.201 -3.465 643 HD13 ILE 80 HD13 ILE 80 -4.808 -5.903 -1.724 644 H ASN 81 HN ASN 81 -1.743 -4.177 -6.104 645 HA ASN 81 HA ASN 81 0.726 -5.028 -7.603 646 HB2 ASN 81 HB2 ASN 81 -1.494 -3.070 -8.144 647 HB3 ASN 81 HB3 ASN 81 0.147 -2.567 -8.570 648 HD21 ASN 81 HD21 ASN 81 0.195 -5.790 -9.230 649 HD22 ASN 81 HD22 ASN 81 -0.191 -5.657 -10.921 650 H VAL 82 HN VAL 82 2.499 -3.557 -7.412 651 HA VAL 82 HA VAL 82 2.436 -1.741 -5.050 652 HB VAL 82 HB VAL 82 4.817 -3.452 -5.900 653 HG11 VAL 82 HG11 VAL 82 4.257 -2.011 -3.270 654 HG12 VAL 82 HG12 VAL 82 5.748 -2.848 -3.779 655 HG13 VAL 82 HG13 VAL 82 5.275 -1.365 -4.579 656 HG21 VAL 82 HG21 VAL 82 3.129 -5.038 -5.138 657 HG22 VAL 82 HG22 VAL 82 4.385 -4.882 -3.921 658 HG23 VAL 82 HG23 VAL 82 2.820 -4.070 -3.674 659 H GLU 83 HN GLU 83 3.569 0.203 -5.419 660 HA GLU 83 HA GLU 83 5.144 0.555 -7.879 661 HB2 GLU 83 HB2 GLU 83 2.556 1.862 -7.165 662 HB3 GLU 83 HB3 GLU 83 3.781 2.978 -7.699 663 HG2 GLU 83 HG2 GLU 83 3.173 0.539 -9.356 664 HG3 GLU 83 HG3 GLU 83 2.075 1.913 -9.351 665 H PHE 84 HN PHE 84 6.284 2.488 -7.748 666 HA PHE 84 HA PHE 84 6.948 3.434 -4.974 667 HB2 PHE 84 HB2 PHE 84 8.540 1.838 -5.965 668 HB3 PHE 84 HB3 PHE 84 8.814 2.929 -7.310 669 HD1 PHE 84 HD1 PHE 84 8.602 3.813 -3.605 670 HD2 PHE 84 HD2 PHE 84 11.109 3.326 -7.097 671 HE1 PHE 84 HE1 PHE 84 10.547 4.680 -2.345 672 HE2 PHE 84 HE2 PHE 84 13.049 4.105 -5.801 673 HZ PHE 84 HZ PHE 84 12.764 4.820 -3.433 674 H ALA 85 HN ALA 85 5.936 5.384 -4.902 675 HA ALA 85 HA ALA 85 6.283 7.388 -7.063 676 HB1 ALA 85 HB1 ALA 85 4.657 7.383 -4.502 677 HB2 ALA 85 HB2 ALA 85 4.907 8.819 -5.524 678 HB3 ALA 85 HB3 ALA 85 4.099 7.387 -6.191 679 H LYS 86 HN LYS 86 8.549 7.157 -6.807 680 HA LYS 86 HA LYS 86 9.739 8.546 -4.494 681 HB2 LYS 86 HB2 LYS 86 10.757 6.497 -5.288 682 HB3 LYS 86 HB3 LYS 86 10.935 7.140 -6.923 683 HG2 LYS 86 HG2 LYS 86 13.013 7.115 -5.671 684 HG3 LYS 86 HG3 LYS 86 12.577 8.775 -6.103 685 HD2 LYS 86 HD2 LYS 86 11.884 9.284 -3.884 686 HD3 LYS 86 HD3 LYS 86 11.827 7.588 -3.410 687 HE2 LYS 86 HE2 LYS 86 14.468 8.807 -4.276 688 HE3 LYS 86 HE3 LYS 86 13.787 9.169 -2.691 689 HZ1 LYS 86 HZ1 LYS 86 15.178 7.368 -2.426 690 HZ2 LYS 86 HZ2 LYS 86 14.481 6.470 -3.636 691 HZ3 LYS 86 HZ3 LYS 86 13.655 6.849 -2.217 692 H GLY 87 HN GLY 87 8.809 10.669 -4.848 693 HA2 GLY 87 HA1 GLY 87 9.477 12.176 -7.233 694 HA3 GLY 87 HA2 GLY 87 8.928 12.798 -5.664 695 H SER 88 HN SER 88 11.749 11.412 -7.332 696 HA SER 88 HA SER 88 13.573 13.195 -5.802 697 HB2 SER 88 HB2 SER 88 14.152 11.019 -7.741 698 HB3 SER 88 HB3 SER 88 15.368 12.129 -7.102 699 HG SER 88 HG SER 88 15.420 11.097 -5.293 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 6.980 18.929 -2.526 2 HA2 GLY 1 HA1 GLY 1 8.633 17.040 -4.103 3 HA3 GLY 1 HA2 GLY 1 9.134 17.806 -2.591 4 H HIS 2 HN HIS 2 8.236 14.830 -3.656 5 HA HIS 2 HA HIS 2 7.393 14.116 -0.964 6 HB2 HIS 2 HB2 HIS 2 5.592 12.680 -1.624 7 HB3 HIS 2 HB3 HIS 2 5.226 14.352 -1.999 8 HD1 HIS 2 HD1 HIS 2 5.275 14.984 -4.742 9 HD2 HIS 2 HD2 HIS 2 5.444 10.920 -3.575 10 HE1 HIS 2 HE1 HIS 2 4.520 13.620 -6.743 11 H MET 3 HN MET 3 9.731 13.735 -1.240 12 HA MET 3 HA MET 3 10.655 11.471 -2.768 13 HB2 MET 3 HB2 MET 3 11.617 12.764 -0.185 14 HB3 MET 3 HB3 MET 3 12.426 11.377 -0.930 15 HG2 MET 3 HG2 MET 3 12.881 12.597 -2.936 16 HG3 MET 3 HG3 MET 3 11.879 13.960 -2.424 17 HE1 MET 3 HE1 MET 3 15.247 15.707 -2.464 18 HE2 MET 3 HE2 MET 3 14.575 14.537 -3.622 19 HE3 MET 3 HE3 MET 3 13.530 15.770 -2.891 20 H ASP 4 HN ASP 4 10.208 9.428 -2.453 21 HA ASP 4 HA ASP 4 9.866 7.467 -1.636 22 HB2 ASP 4 HB2 ASP 4 10.614 8.841 0.937 23 HB3 ASP 4 HB3 ASP 4 10.189 7.154 0.859 24 H THR 5 HN THR 5 7.912 7.018 -2.324 25 HA THR 5 HA THR 5 5.902 6.656 -0.275 26 HB THR 5 HB THR 5 5.278 7.976 -2.947 27 HG1 THR 5 HG1 THR 5 6.140 9.064 -0.755 28 HG21 THR 5 HG21 THR 5 3.421 6.527 -2.166 29 HG22 THR 5 HG22 THR 5 2.999 8.237 -2.148 30 HG23 THR 5 HG23 THR 5 3.398 7.422 -0.623 31 H ILE 6 HN ILE 6 4.802 4.694 -0.719 32 HA ILE 6 HA ILE 6 5.586 3.190 -3.190 33 HB ILE 6 HB ILE 6 4.927 2.057 -0.443 34 HG12 ILE 6 HG12 ILE 6 7.644 2.269 -1.792 35 HG13 ILE 6 HG13 ILE 6 7.100 3.150 -0.348 36 HG21 ILE 6 HG21 ILE 6 4.321 0.636 -2.491 37 HG22 ILE 6 HG22 ILE 6 6.074 0.479 -2.739 38 HG23 ILE 6 HG23 ILE 6 5.325 -0.107 -1.252 39 HD11 ILE 6 HD11 ILE 6 8.463 1.360 0.408 40 HD12 ILE 6 HD12 ILE 6 6.785 0.994 0.842 41 HD13 ILE 6 HD13 ILE 6 7.560 0.166 -0.533 42 H ILE 7 HN ILE 7 3.660 2.900 -4.539 43 HA ILE 7 HA ILE 7 1.119 3.430 -3.075 44 HB ILE 7 HB ILE 7 1.614 3.689 -6.056 45 HG12 ILE 7 HG12 ILE 7 1.540 5.823 -3.955 46 HG13 ILE 7 HG13 ILE 7 2.940 5.342 -4.885 47 HG21 ILE 7 HG21 ILE 7 -0.732 4.643 -4.386 48 HG22 ILE 7 HG22 ILE 7 -0.569 4.655 -6.163 49 HG23 ILE 7 HG23 ILE 7 -0.736 3.132 -5.332 50 HD11 ILE 7 HD11 ILE 7 1.891 6.024 -6.980 51 HD12 ILE 7 HD12 ILE 7 0.468 6.613 -6.084 52 HD13 ILE 7 HD13 ILE 7 2.042 7.366 -5.816 53 H LEU 8 HN LEU 8 -0.532 1.912 -3.364 54 HA LEU 8 HA LEU 8 0.293 -0.783 -4.316 55 HB2 LEU 8 HB2 LEU 8 -1.434 -0.008 -1.934 56 HB3 LEU 8 HB3 LEU 8 -1.722 -1.494 -2.815 57 HG LEU 8 HG LEU 8 0.455 -2.374 -2.355 58 HD11 LEU 8 HD11 LEU 8 0.983 0.253 -0.900 59 HD12 LEU 8 HD12 LEU 8 1.906 -0.487 -2.214 60 HD13 LEU 8 HD13 LEU 8 1.918 -1.259 -0.644 61 HD21 LEU 8 HD21 LEU 8 -1.465 -2.745 -0.853 62 HD22 LEU 8 HD22 LEU 8 -1.038 -1.329 0.100 63 HD23 LEU 8 HD23 LEU 8 0.066 -2.719 0.052 64 H ARG 9 HN ARG 9 -1.348 -1.881 -5.441 65 HA ARG 9 HA ARG 9 -3.674 -0.249 -6.401 66 HB2 ARG 9 HB2 ARG 9 -1.757 -1.842 -8.096 67 HB3 ARG 9 HB3 ARG 9 -3.179 -1.102 -8.727 68 HG2 ARG 9 HG2 ARG 9 -2.189 1.111 -8.474 69 HG3 ARG 9 HG3 ARG 9 -0.951 0.477 -7.394 70 HD2 ARG 9 HD2 ARG 9 0.221 0.685 -9.388 71 HD3 ARG 9 HD3 ARG 9 -0.180 -1.036 -9.365 72 HE ARG 9 HE ARG 9 -2.284 0.143 -10.704 73 HH11 ARG 9 HH11 ARG 9 1.235 -0.161 -11.243 74 HH12 ARG 9 HH12 ARG 9 1.120 0.306 -12.923 75 HH21 ARG 9 HH21 ARG 9 -2.375 0.772 -12.875 76 HH22 ARG 9 HH22 ARG 9 -0.961 0.798 -13.872 77 H ASN 10 HN ASN 10 -5.210 -1.651 -7.602 78 HA ASN 10 HA ASN 10 -6.573 -3.373 -7.884 79 HB2 ASN 10 HB2 ASN 10 -4.482 -4.619 -8.594 80 HB3 ASN 10 HB3 ASN 10 -4.401 -5.278 -6.961 81 HD21 ASN 10 HD21 ASN 10 -5.212 -7.333 -6.955 82 HD22 ASN 10 HD22 ASN 10 -6.612 -7.910 -7.836 83 H LEU 11 HN LEU 11 -6.126 -1.983 -5.029 84 HA LEU 11 HA LEU 11 -7.077 -3.996 -3.211 85 HB2 LEU 11 HB2 LEU 11 -7.485 -0.961 -3.255 86 HB3 LEU 11 HB3 LEU 11 -7.742 -2.027 -1.884 87 HG LEU 11 HG LEU 11 -5.771 -0.604 -1.753 88 HD11 LEU 11 HD11 LEU 11 -4.123 -2.380 -1.016 89 HD12 LEU 11 HD12 LEU 11 -5.215 -3.572 -1.765 90 HD13 LEU 11 HD13 LEU 11 -5.789 -2.604 -0.407 91 HD21 LEU 11 HD21 LEU 11 -5.099 -0.802 -4.172 92 HD22 LEU 11 HD22 LEU 11 -4.198 -2.242 -3.638 93 HD23 LEU 11 HD23 LEU 11 -3.864 -0.654 -2.918 94 H ASN 12 HN ASN 12 -9.069 -4.636 -2.880 95 HA ASN 12 HA ASN 12 -11.215 -4.093 -4.742 96 HB2 ASN 12 HB2 ASN 12 -12.434 -5.649 -3.231 97 HB3 ASN 12 HB3 ASN 12 -10.907 -6.294 -3.757 98 HD21 ASN 12 HD21 ASN 12 -12.674 -6.729 -1.320 99 HD22 ASN 12 HD22 ASN 12 -11.386 -6.980 -0.174 100 HA PRO 13 HA PRO 13 -13.049 -0.725 -2.552 101 HB2 PRO 13 HB2 PRO 13 -15.748 -1.513 -2.564 102 HB3 PRO 13 HB3 PRO 13 -14.896 -0.663 -3.885 103 HG2 PRO 13 HG2 PRO 13 -15.536 -3.580 -3.571 104 HG3 PRO 13 HG3 PRO 13 -15.529 -2.591 -5.066 105 HD2 PRO 13 HD2 PRO 13 -13.528 -4.265 -4.444 106 HD3 PRO 13 HD3 PRO 13 -13.220 -2.713 -5.284 107 H HIS 14 HN HIS 14 -13.924 -4.023 -1.527 108 HA HIS 14 HA HIS 14 -14.819 -3.246 1.114 109 HB2 HIS 14 HB2 HIS 14 -14.168 -5.956 -0.120 110 HB3 HIS 14 HB3 HIS 14 -14.790 -5.724 1.503 111 HD1 HIS 14 HD1 HIS 14 -16.680 -7.439 -0.107 112 HD2 HIS 14 HD2 HIS 14 -16.617 -3.239 -0.491 113 HE1 HIS 14 HE1 HIS 14 -18.938 -6.759 -1.000 114 H SER 15 HN SER 15 -11.595 -3.657 -0.154 115 HA SER 15 HA SER 15 -10.387 -4.923 2.038 116 HB2 SER 15 HB2 SER 15 -9.468 -3.603 -0.311 117 HB3 SER 15 HB3 SER 15 -8.757 -2.695 1.013 118 HG SER 15 HG SER 15 -8.335 -5.162 1.714 119 H THR 16 HN THR 16 -9.054 -3.959 3.783 120 HA THR 16 HA THR 16 -9.446 -1.164 4.338 121 HB THR 16 HB THR 16 -11.362 -2.053 5.524 122 HG1 THR 16 HG1 THR 16 -10.948 -0.878 7.107 123 HG21 THR 16 HG21 THR 16 -11.216 -3.660 7.324 124 HG22 THR 16 HG22 THR 16 -9.484 -3.885 7.070 125 HG23 THR 16 HG23 THR 16 -10.659 -4.422 5.839 126 H MET 17 HN MET 17 -7.794 -0.502 5.954 127 HA MET 17 HA MET 17 -5.283 -1.575 5.141 128 HB2 MET 17 HB2 MET 17 -4.363 0.141 6.486 129 HB3 MET 17 HB3 MET 17 -5.763 0.775 5.697 130 HG2 MET 17 HG2 MET 17 -6.934 -0.025 8.029 131 HG3 MET 17 HG3 MET 17 -5.291 0.334 8.563 132 HE1 MET 17 HE1 MET 17 -8.510 3.233 6.890 133 HE2 MET 17 HE2 MET 17 -7.816 1.964 5.864 134 HE3 MET 17 HE3 MET 17 -8.745 1.528 7.319 135 H ASP 18 HN ASP 18 -7.417 -2.026 7.930 136 HA ASP 18 HA ASP 18 -5.442 -3.134 9.688 137 HB2 ASP 18 HB2 ASP 18 -7.722 -2.111 10.185 138 HB3 ASP 18 HB3 ASP 18 -8.460 -3.604 9.633 139 H SER 19 HN SER 19 -7.440 -4.348 7.132 140 HA SER 19 HA SER 19 -7.090 -7.211 7.735 141 HB2 SER 19 HB2 SER 19 -9.219 -6.422 6.924 142 HB3 SER 19 HB3 SER 19 -8.477 -5.623 5.544 143 HG SER 19 HG SER 19 -9.544 -7.854 5.451 144 H ILE 20 HN ILE 20 -6.100 -4.818 5.235 145 HA ILE 20 HA ILE 20 -4.235 -6.455 3.871 146 HB ILE 20 HB ILE 20 -4.125 -3.467 4.321 147 HG12 ILE 20 HG12 ILE 20 -5.167 -4.780 1.789 148 HG13 ILE 20 HG13 ILE 20 -6.256 -4.565 3.135 149 HG21 ILE 20 HG21 ILE 20 -2.809 -5.209 2.192 150 HG22 ILE 20 HG22 ILE 20 -2.779 -3.426 2.210 151 HG23 ILE 20 HG23 ILE 20 -1.979 -4.326 3.486 152 HD11 ILE 20 HD11 ILE 20 -4.740 -2.347 1.730 153 HD12 ILE 20 HD12 ILE 20 -6.489 -2.678 1.689 154 HD13 ILE 20 HD13 ILE 20 -5.740 -2.126 3.175 155 H LEU 21 HN LEU 21 -3.800 -4.335 6.776 156 HA LEU 21 HA LEU 21 -1.039 -5.001 7.139 157 HB2 LEU 21 HB2 LEU 21 -3.204 -4.133 9.085 158 HB3 LEU 21 HB3 LEU 21 -1.575 -4.492 9.641 159 HG LEU 21 HG LEU 21 -2.118 -2.367 7.508 160 HD11 LEU 21 HD11 LEU 21 -3.253 -1.494 9.325 161 HD12 LEU 21 HD12 LEU 21 -1.599 -0.857 9.607 162 HD13 LEU 21 HD13 LEU 21 -2.167 -2.244 10.515 163 HD21 LEU 21 HD21 LEU 21 0.308 -2.796 9.299 164 HD22 LEU 21 HD22 LEU 21 0.115 -1.618 7.971 165 HD23 LEU 21 HD23 LEU 21 0.215 -3.330 7.612 166 H GLY 22 HN GLY 22 -3.809 -7.050 7.690 167 HA2 GLY 22 HA1 GLY 22 -2.377 -8.778 9.576 168 HA3 GLY 22 HA2 GLY 22 -4.037 -8.953 9.010 169 H ALA 23 HN ALA 23 -2.754 -8.598 6.121 170 HA ALA 23 HA ALA 23 -1.544 -11.335 5.867 171 HB1 ALA 23 HB1 ALA 23 -3.934 -10.219 4.409 172 HB2 ALA 23 HB2 ALA 23 -3.114 -11.721 3.966 173 HB3 ALA 23 HB3 ALA 23 -3.951 -11.604 5.535 174 H LEU 24 HN LEU 24 -1.055 -8.159 5.218 175 HA LEU 24 HA LEU 24 0.679 -8.943 2.983 176 HB2 LEU 24 HB2 LEU 24 -1.312 -7.317 2.492 177 HB3 LEU 24 HB3 LEU 24 -0.356 -6.123 3.373 178 HG LEU 24 HG LEU 24 1.552 -6.582 1.704 179 HD11 LEU 24 HD11 LEU 24 0.840 -8.757 0.810 180 HD12 LEU 24 HD12 LEU 24 0.868 -7.540 -0.473 181 HD13 LEU 24 HD13 LEU 24 -0.681 -8.052 0.231 182 HD21 LEU 24 HD21 LEU 24 0.103 -4.608 1.565 183 HD22 LEU 24 HD22 LEU 24 -1.091 -5.518 0.620 184 HD23 LEU 24 HD23 LEU 24 0.530 -5.196 -0.042 185 H ALA 25 HN ALA 25 1.201 -9.120 5.872 186 HA ALA 25 HA ALA 25 3.373 -7.077 6.233 187 HB1 ALA 25 HB1 ALA 25 1.619 -6.785 7.796 188 HB2 ALA 25 HB2 ALA 25 1.525 -8.530 8.132 189 HB3 ALA 25 HB3 ALA 25 2.929 -7.614 8.661 190 HA PRO 26 HA PRO 26 5.276 -11.429 6.299 191 HB2 PRO 26 HB2 PRO 26 6.488 -11.627 3.822 192 HB3 PRO 26 HB3 PRO 26 4.853 -12.221 4.160 193 HG2 PRO 26 HG2 PRO 26 5.621 -9.544 2.980 194 HG3 PRO 26 HG3 PRO 26 4.407 -10.712 2.366 195 HD2 PRO 26 HD2 PRO 26 3.738 -8.576 3.881 196 HD3 PRO 26 HD3 PRO 26 2.934 -10.160 4.132 197 H TYR 27 HN TYR 27 6.388 -8.226 5.252 198 HA TYR 27 HA TYR 27 9.103 -8.892 6.311 199 HB2 TYR 27 HB2 TYR 27 8.936 -7.055 3.956 200 HB3 TYR 27 HB3 TYR 27 10.249 -8.060 4.489 201 HD1 TYR 27 HD1 TYR 27 9.925 -10.694 4.155 202 HD2 TYR 27 HD2 TYR 27 7.608 -7.665 2.179 203 HE1 TYR 27 HE1 TYR 27 9.125 -12.383 2.518 204 HE2 TYR 27 HE2 TYR 27 6.829 -9.347 0.506 205 HH TYR 27 HH TYR 27 7.676 -12.794 0.664 206 H ALA 28 HN ALA 28 7.066 -6.157 5.139 207 HA ALA 28 HA ALA 28 8.020 -4.534 7.458 208 HB1 ALA 28 HB1 ALA 28 7.166 -2.602 6.058 209 HB2 ALA 28 HB2 ALA 28 8.585 -3.441 5.423 210 HB3 ALA 28 HB3 ALA 28 6.965 -3.743 4.706 211 H VAL 29 HN VAL 29 6.455 -3.394 8.634 212 HA VAL 29 HA VAL 29 3.625 -4.160 8.310 213 HB VAL 29 HB VAL 29 5.033 -4.503 10.986 214 HG11 VAL 29 HG11 VAL 29 2.554 -4.207 10.834 215 HG12 VAL 29 HG12 VAL 29 2.459 -5.639 9.809 216 HG13 VAL 29 HG13 VAL 29 3.033 -5.773 11.491 217 HG21 VAL 29 HG21 VAL 29 4.907 -7.012 10.549 218 HG22 VAL 29 HG22 VAL 29 4.789 -6.621 8.825 219 HG23 VAL 29 HG23 VAL 29 6.215 -6.144 9.735 220 H LEU 30 HN LEU 30 2.901 -2.124 8.024 221 HA LEU 30 HA LEU 30 4.283 0.148 9.131 222 HB2 LEU 30 HB2 LEU 30 1.510 0.084 7.869 223 HB3 LEU 30 HB3 LEU 30 2.430 1.492 8.273 224 HG LEU 30 HG LEU 30 2.696 1.351 6.029 225 HD11 LEU 30 HD11 LEU 30 5.052 0.876 5.552 226 HD12 LEU 30 HD12 LEU 30 5.199 -0.071 7.033 227 HD13 LEU 30 HD13 LEU 30 4.896 1.674 7.130 228 HD21 LEU 30 HD21 LEU 30 1.779 -0.993 5.817 229 HD22 LEU 30 HD22 LEU 30 3.445 -1.579 6.036 230 HD23 LEU 30 HD23 LEU 30 3.064 -0.515 4.673 231 H SER 31 HN SER 31 3.260 1.929 10.371 232 HA SER 31 HA SER 31 1.957 0.879 12.807 233 HB2 SER 31 HB2 SER 31 3.306 3.521 12.114 234 HB3 SER 31 HB3 SER 31 2.572 3.156 13.676 235 HG SER 31 HG SER 31 3.915 1.190 13.636 236 H SER 32 HN SER 32 0.340 1.000 10.488 237 HA SER 32 HA SER 32 -1.685 1.543 9.820 238 HB2 SER 32 HB2 SER 32 -2.020 1.190 12.369 239 HB3 SER 32 HB3 SER 32 -2.410 2.914 12.380 240 HG SER 32 HG SER 32 -4.062 1.089 11.939 241 H SER 33 HN SER 33 -0.680 4.556 11.602 242 HA SER 33 HA SER 33 -2.033 6.341 9.943 243 HB2 SER 33 HB2 SER 33 -0.901 6.881 12.136 244 HB3 SER 33 HB3 SER 33 0.633 6.869 11.274 245 HG SER 33 HG SER 33 -1.565 8.639 11.007 246 H ASN 34 HN ASN 34 1.251 4.970 9.437 247 HA ASN 34 HA ASN 34 2.206 6.414 7.306 248 HB2 ASN 34 HB2 ASN 34 2.182 3.389 7.533 249 HB3 ASN 34 HB3 ASN 34 3.287 4.278 6.521 250 HD21 ASN 34 HD21 ASN 34 4.905 5.745 7.549 251 HD22 ASN 34 HD22 ASN 34 5.308 5.466 9.235 252 H VAL 35 HN VAL 35 -0.631 4.305 7.200 253 HA VAL 35 HA VAL 35 -0.426 4.091 4.261 254 HB VAL 35 HB VAL 35 -2.247 2.647 6.199 255 HG11 VAL 35 HG11 VAL 35 -1.619 2.097 3.268 256 HG12 VAL 35 HG12 VAL 35 -2.691 1.134 4.325 257 HG13 VAL 35 HG13 VAL 35 -3.128 2.783 3.878 258 HG21 VAL 35 HG21 VAL 35 0.091 1.972 6.591 259 HG22 VAL 35 HG22 VAL 35 -0.707 0.687 5.708 260 HG23 VAL 35 HG23 VAL 35 0.382 1.800 4.846 261 H ARG 36 HN ARG 36 -1.700 5.174 2.968 262 HA ARG 36 HA ARG 36 -4.093 6.660 3.973 263 HB2 ARG 36 HB2 ARG 36 -1.789 7.391 2.245 264 HB3 ARG 36 HB3 ARG 36 -3.332 7.775 1.495 265 HG2 ARG 36 HG2 ARG 36 -2.903 8.564 4.383 266 HG3 ARG 36 HG3 ARG 36 -2.051 9.474 3.128 267 HD2 ARG 36 HD2 ARG 36 -3.930 10.429 2.270 268 HD3 ARG 36 HD3 ARG 36 -4.941 9.014 2.571 269 HE ARG 36 HE ARG 36 -4.396 9.971 5.093 270 HH11 ARG 36 HH11 ARG 36 -5.887 11.570 2.268 271 HH12 ARG 36 HH12 ARG 36 -7.387 11.838 3.061 272 HH21 ARG 36 HH21 ARG 36 -6.010 10.962 6.259 273 HH22 ARG 36 HH22 ARG 36 -7.230 11.916 5.491 274 H VAL 37 HN VAL 37 -5.432 4.835 3.830 275 HA VAL 37 HA VAL 37 -6.133 3.933 1.089 276 HB VAL 37 HB VAL 37 -7.444 3.261 3.772 277 HG11 VAL 37 HG11 VAL 37 -8.542 1.447 2.484 278 HG12 VAL 37 HG12 VAL 37 -8.978 3.032 1.844 279 HG13 VAL 37 HG13 VAL 37 -7.780 2.057 0.990 280 HG21 VAL 37 HG21 VAL 37 -5.269 2.281 3.829 281 HG22 VAL 37 HG22 VAL 37 -6.406 0.997 3.420 282 HG23 VAL 37 HG23 VAL 37 -5.405 1.701 2.142 283 H ILE 38 HN ILE 38 -7.012 5.762 0.086 284 HA ILE 38 HA ILE 38 -8.816 7.564 1.576 285 HB ILE 38 HB ILE 38 -8.382 7.319 -1.427 286 HG12 ILE 38 HG12 ILE 38 -7.022 9.349 0.388 287 HG13 ILE 38 HG13 ILE 38 -6.230 7.903 -0.238 288 HG21 ILE 38 HG21 ILE 38 -9.499 9.615 0.264 289 HG22 ILE 38 HG22 ILE 38 -9.409 9.567 -1.509 290 HG23 ILE 38 HG23 ILE 38 -10.497 8.483 -0.663 291 HD11 ILE 38 HD11 ILE 38 -5.633 9.720 -1.681 292 HD12 ILE 38 HD12 ILE 38 -6.732 8.648 -2.579 293 HD13 ILE 38 HD13 ILE 38 -7.325 10.182 -1.919 294 H LYS 39 HN LYS 39 -11.007 7.098 1.813 295 HA LYS 39 HA LYS 39 -12.269 5.231 -0.091 296 HB2 LYS 39 HB2 LYS 39 -13.876 4.671 1.816 297 HB3 LYS 39 HB3 LYS 39 -12.314 3.887 1.791 298 HG2 LYS 39 HG2 LYS 39 -12.656 6.363 3.462 299 HG3 LYS 39 HG3 LYS 39 -13.337 4.827 4.019 300 HD2 LYS 39 HD2 LYS 39 -11.220 3.734 4.085 301 HD3 LYS 39 HD3 LYS 39 -10.443 5.021 3.208 302 HE2 LYS 39 HE2 LYS 39 -9.738 5.196 5.456 303 HE3 LYS 39 HE3 LYS 39 -10.785 6.576 5.142 304 HZ1 LYS 39 HZ1 LYS 39 -11.809 4.114 6.424 305 HZ2 LYS 39 HZ2 LYS 39 -12.477 5.597 6.463 306 HZ3 LYS 39 HZ3 LYS 39 -11.105 5.338 7.297 307 H ASP 40 HN ASP 40 -14.552 5.540 -0.407 308 HA ASP 40 HA ASP 40 -14.796 8.279 -1.227 309 HB2 ASP 40 HB2 ASP 40 -15.643 6.139 -2.420 310 HB3 ASP 40 HB3 ASP 40 -17.061 6.317 -1.348 311 H LYS 41 HN LYS 41 -16.749 9.644 -0.943 312 HA LYS 41 HA LYS 41 -17.484 9.845 1.856 313 HB2 LYS 41 HB2 LYS 41 -18.720 11.878 1.142 314 HB3 LYS 41 HB3 LYS 41 -17.059 11.947 0.590 315 HG2 LYS 41 HG2 LYS 41 -18.971 10.733 -1.382 316 HG3 LYS 41 HG3 LYS 41 -19.336 12.381 -0.941 317 HD2 LYS 41 HD2 LYS 41 -17.225 13.170 -1.681 318 HD3 LYS 41 HD3 LYS 41 -16.555 11.547 -1.803 319 HE2 LYS 41 HE2 LYS 41 -18.971 12.383 -3.451 320 HE3 LYS 41 HE3 LYS 41 -17.353 12.828 -3.956 321 HZ1 LYS 41 HZ1 LYS 41 -18.226 10.018 -3.540 322 HZ2 LYS 41 HZ2 LYS 41 -16.764 10.493 -4.053 323 HZ3 LYS 41 HZ3 LYS 41 -18.071 10.770 -4.994 324 H GLN 42 HN GLN 42 -19.060 8.584 -1.001 325 HA GLN 42 HA GLN 42 -21.572 8.434 0.600 326 HB2 GLN 42 HB2 GLN 42 -20.946 8.671 -2.254 327 HB3 GLN 42 HB3 GLN 42 -22.239 7.526 -1.893 328 HG2 GLN 42 HG2 GLN 42 -22.159 10.382 -0.817 329 HG3 GLN 42 HG3 GLN 42 -23.001 9.895 -2.292 330 HE21 GLN 42 HE21 GLN 42 -23.218 9.928 1.256 331 HE22 GLN 42 HE22 GLN 42 -24.770 9.119 1.298 332 H THR 43 HN THR 43 -19.365 6.434 -1.353 333 HA THR 43 HA THR 43 -21.009 4.096 -0.724 334 HB THR 43 HB THR 43 -19.473 2.875 -2.175 335 HG1 THR 43 HG1 THR 43 -17.805 4.022 -3.197 336 HG21 THR 43 HG21 THR 43 -19.892 4.031 -4.254 337 HG22 THR 43 HG22 THR 43 -20.110 5.585 -3.425 338 HG23 THR 43 HG23 THR 43 -21.282 4.270 -3.195 339 H GLN 44 HN GLN 44 -18.359 5.651 0.789 340 HA GLN 44 HA GLN 44 -16.875 5.192 2.376 341 HB2 GLN 44 HB2 GLN 44 -18.521 2.812 3.223 342 HB3 GLN 44 HB3 GLN 44 -17.376 3.733 4.188 343 HG2 GLN 44 HG2 GLN 44 -20.106 4.621 3.221 344 HG3 GLN 44 HG3 GLN 44 -19.606 4.316 4.882 345 HE21 GLN 44 HE21 GLN 44 -20.413 6.797 2.936 346 HE22 GLN 44 HE22 GLN 44 -19.379 8.051 3.549 347 H LEU 45 HN LEU 45 -16.880 3.665 -0.359 348 HA LEU 45 HA LEU 45 -15.201 1.328 0.364 349 HB2 LEU 45 HB2 LEU 45 -16.112 2.297 -2.367 350 HB3 LEU 45 HB3 LEU 45 -15.334 0.766 -1.968 351 HG LEU 45 HG LEU 45 -18.085 1.622 -1.005 352 HD11 LEU 45 HD11 LEU 45 -19.015 0.144 -2.656 353 HD12 LEU 45 HD12 LEU 45 -17.401 -0.261 -3.263 354 HD13 LEU 45 HD13 LEU 45 -18.013 1.401 -3.407 355 HD21 LEU 45 HD21 LEU 45 -16.558 -0.967 -0.638 356 HD22 LEU 45 HD22 LEU 45 -18.314 -0.844 -0.450 357 HD23 LEU 45 HD23 LEU 45 -17.243 0.095 0.594 358 H ASN 46 HN ASN 46 -13.155 1.149 -0.393 359 HA ASN 46 HA ASN 46 -11.530 3.423 -0.393 360 HB2 ASN 46 HB2 ASN 46 -10.513 0.960 -1.787 361 HB3 ASN 46 HB3 ASN 46 -9.696 2.140 -0.758 362 HD21 ASN 46 HD21 ASN 46 -10.451 -1.044 -0.736 363 HD22 ASN 46 HD22 ASN 46 -10.968 -1.098 0.945 364 H ARG 47 HN ARG 47 -10.092 4.293 -2.138 365 HA ARG 47 HA ARG 47 -11.418 4.377 -4.778 366 HB2 ARG 47 HB2 ARG 47 -8.832 5.728 -3.942 367 HB3 ARG 47 HB3 ARG 47 -9.807 6.057 -5.371 368 HG2 ARG 47 HG2 ARG 47 -11.687 6.405 -3.389 369 HG3 ARG 47 HG3 ARG 47 -10.231 6.899 -2.558 370 HD2 ARG 47 HD2 ARG 47 -11.586 8.072 -4.964 371 HD3 ARG 47 HD3 ARG 47 -11.192 8.855 -3.423 372 HE ARG 47 HE ARG 47 -8.729 8.556 -4.258 373 HH11 ARG 47 HH11 ARG 47 -11.555 9.608 -6.208 374 HH12 ARG 47 HH12 ARG 47 -10.541 10.322 -7.431 375 HH21 ARG 47 HH21 ARG 47 -7.446 9.663 -5.975 376 HH22 ARG 47 HH22 ARG 47 -8.334 10.348 -7.277 377 H GLY 48 HN GLY 48 -9.921 1.856 -3.662 378 HA2 GLY 48 HA1 GLY 48 -8.997 0.065 -4.570 379 HA3 GLY 48 HA2 GLY 48 -9.272 0.796 -6.144 380 H PHE 49 HN PHE 49 -7.209 2.767 -4.294 381 HA PHE 49 HA PHE 49 -4.779 1.175 -4.572 382 HB2 PHE 49 HB2 PHE 49 -3.531 3.247 -5.342 383 HB3 PHE 49 HB3 PHE 49 -4.468 2.382 -6.520 384 HD1 PHE 49 HD1 PHE 49 -4.660 5.361 -4.230 385 HD2 PHE 49 HD2 PHE 49 -6.045 3.436 -7.818 386 HE1 PHE 49 HE1 PHE 49 -5.962 7.402 -4.819 387 HE2 PHE 49 HE2 PHE 49 -7.275 5.512 -8.452 388 HZ PHE 49 HZ PHE 49 -7.295 7.459 -6.927 389 H ALA 50 HN ALA 50 -3.053 2.225 -3.182 390 HA ALA 50 HA ALA 50 -4.050 3.964 -1.051 391 HB1 ALA 50 HB1 ALA 50 -3.022 1.144 -0.462 392 HB2 ALA 50 HB2 ALA 50 -3.366 2.394 0.749 393 HB3 ALA 50 HB3 ALA 50 -4.689 1.704 -0.219 394 H PHE 51 HN PHE 51 -2.125 4.517 0.410 395 HA PHE 51 HA PHE 51 0.392 4.605 -1.206 396 HB2 PHE 51 HB2 PHE 51 -0.986 6.843 0.324 397 HB3 PHE 51 HB3 PHE 51 0.542 6.962 -0.503 398 HD1 PHE 51 HD1 PHE 51 -3.134 6.692 -0.897 399 HD2 PHE 51 HD2 PHE 51 0.623 7.388 -2.893 400 HE1 PHE 51 HE1 PHE 51 -4.343 7.603 -2.849 401 HE2 PHE 51 HE2 PHE 51 -0.587 8.310 -4.837 402 HZ PHE 51 HZ PHE 51 -3.080 8.418 -4.832 403 H ILE 52 HN ILE 52 2.134 4.047 0.074 404 HA ILE 52 HA ILE 52 1.879 3.985 3.044 405 HB ILE 52 HB ILE 52 3.974 2.859 1.176 406 HG12 ILE 52 HG12 ILE 52 1.736 1.405 2.645 407 HG13 ILE 52 HG13 ILE 52 1.819 1.675 0.902 408 HG21 ILE 52 HG21 ILE 52 3.670 2.055 4.070 409 HG22 ILE 52 HG22 ILE 52 5.018 1.769 2.955 410 HG23 ILE 52 HG23 ILE 52 4.748 3.391 3.561 411 HD11 ILE 52 HD11 ILE 52 2.425 -0.623 1.494 412 HD12 ILE 52 HD12 ILE 52 3.783 0.226 0.717 413 HD13 ILE 52 HD13 ILE 52 3.771 -0.052 2.474 414 H GLN 53 HN GLN 53 2.963 5.586 4.185 415 HA GLN 53 HA GLN 53 4.832 7.393 2.737 416 HB2 GLN 53 HB2 GLN 53 3.030 7.841 5.179 417 HB3 GLN 53 HB3 GLN 53 4.323 8.914 4.675 418 HG2 GLN 53 HG2 GLN 53 2.457 9.957 3.814 419 HG3 GLN 53 HG3 GLN 53 3.117 9.114 2.412 420 HE21 GLN 53 HE21 GLN 53 1.980 7.286 1.607 421 HE22 GLN 53 HE22 GLN 53 0.388 6.830 2.217 422 H LEU 54 HN LEU 54 6.774 6.424 3.077 423 HA LEU 54 HA LEU 54 7.556 5.805 5.859 424 HB2 LEU 54 HB2 LEU 54 7.891 4.092 3.406 425 HB3 LEU 54 HB3 LEU 54 9.248 4.181 4.510 426 HG LEU 54 HG LEU 54 6.458 3.284 5.307 427 HD11 LEU 54 HD11 LEU 54 9.035 1.722 4.768 428 HD12 LEU 54 HD12 LEU 54 7.579 1.716 3.746 429 HD13 LEU 54 HD13 LEU 54 7.527 1.032 5.380 430 HD21 LEU 54 HD21 LEU 54 7.665 4.197 7.263 431 HD22 LEU 54 HD22 LEU 54 9.110 3.243 6.838 432 HD23 LEU 54 HD23 LEU 54 7.620 2.444 7.355 433 H SER 55 HN SER 55 9.970 5.843 5.982 434 HA SER 55 HA SER 55 10.807 8.457 5.491 435 HB2 SER 55 HB2 SER 55 12.466 6.071 6.323 436 HB3 SER 55 HB3 SER 55 12.637 7.726 6.882 437 HG SER 55 HG SER 55 11.309 5.845 8.087 438 H THR 56 HN THR 56 13.080 9.013 4.589 439 HA THR 56 HA THR 56 13.093 8.482 1.852 440 HB THR 56 HB THR 56 15.491 9.454 3.425 441 HG1 THR 56 HG1 THR 56 13.098 10.885 2.855 442 HG21 THR 56 HG21 THR 56 14.285 10.323 0.764 443 HG22 THR 56 HG22 THR 56 15.755 9.357 0.985 444 HG23 THR 56 HG23 THR 56 15.722 11.035 1.541 445 H ILE 57 HN ILE 57 14.862 6.911 4.467 446 HA ILE 57 HA ILE 57 16.345 5.136 2.631 447 HB ILE 57 HB ILE 57 16.082 4.988 5.658 448 HG12 ILE 57 HG12 ILE 57 18.281 6.141 3.910 449 HG13 ILE 57 HG13 ILE 57 17.169 7.073 4.895 450 HG21 ILE 57 HG21 ILE 57 18.028 3.453 5.495 451 HG22 ILE 57 HG22 ILE 57 16.658 2.838 4.613 452 HG23 ILE 57 HG23 ILE 57 18.000 3.592 3.720 453 HD11 ILE 57 HD11 ILE 57 19.341 5.221 5.863 454 HD12 ILE 57 HD12 ILE 57 19.192 6.964 6.120 455 HD13 ILE 57 HD13 ILE 57 18.064 5.853 6.928 456 H GLU 58 HN GLU 58 13.692 4.877 5.026 457 HA GLU 58 HA GLU 58 13.608 2.090 4.909 458 HB2 GLU 58 HB2 GLU 58 11.427 4.059 5.767 459 HB3 GLU 58 HB3 GLU 58 11.446 2.316 6.110 460 HG2 GLU 58 HG2 GLU 58 13.724 2.629 7.164 461 HG3 GLU 58 HG3 GLU 58 13.499 4.373 7.047 462 H ALA 59 HN ALA 59 11.581 4.459 3.198 463 HA ALA 59 HA ALA 59 9.792 2.505 2.053 464 HB1 ALA 59 HB1 ALA 59 9.043 4.250 0.599 465 HB2 ALA 59 HB2 ALA 59 9.479 5.090 2.110 466 HB3 ALA 59 HB3 ALA 59 10.581 5.102 0.732 467 H ALA 60 HN ALA 60 12.732 4.165 0.769 468 HA ALA 60 HA ALA 60 12.909 2.850 -1.671 469 HB1 ALA 60 HB1 ALA 60 15.188 3.786 0.145 470 HB2 ALA 60 HB2 ALA 60 15.294 3.485 -1.595 471 HB3 ALA 60 HB3 ALA 60 14.282 4.814 -0.993 472 H GLN 61 HN GLN 61 14.444 1.867 1.423 473 HA GLN 61 HA GLN 61 15.730 -0.481 0.407 474 HB2 GLN 61 HB2 GLN 61 14.790 0.294 3.193 475 HB3 GLN 61 HB3 GLN 61 15.650 -1.211 2.835 476 HG2 GLN 61 HG2 GLN 61 17.496 0.148 1.793 477 HG3 GLN 61 HG3 GLN 61 16.718 1.610 2.408 478 HE21 GLN 61 HE21 GLN 61 15.814 0.322 5.009 479 HE22 GLN 61 HE22 GLN 61 17.263 -0.106 5.866 480 H LEU 62 HN LEU 62 12.668 -0.156 2.277 481 HA LEU 62 HA LEU 62 11.930 -2.840 2.193 482 HB2 LEU 62 HB2 LEU 62 10.910 -1.202 3.649 483 HB3 LEU 62 HB3 LEU 62 10.235 -0.315 2.293 484 HG LEU 62 HG LEU 62 8.753 -1.832 3.712 485 HD11 LEU 62 HD11 LEU 62 8.523 -1.835 0.730 486 HD12 LEU 62 HD12 LEU 62 7.840 -0.733 1.934 487 HD13 LEU 62 HD13 LEU 62 7.266 -2.391 1.863 488 HD21 LEU 62 HD21 LEU 62 10.040 -3.895 3.732 489 HD22 LEU 62 HD22 LEU 62 9.911 -4.038 1.983 490 HD23 LEU 62 HD23 LEU 62 8.460 -4.169 2.947 491 H LEU 63 HN LEU 63 11.013 -0.189 -0.131 492 HA LEU 63 HA LEU 63 9.427 -1.745 -1.760 493 HB2 LEU 63 HB2 LEU 63 9.567 0.635 -2.096 494 HB3 LEU 63 HB3 LEU 63 11.302 0.584 -2.362 495 HG LEU 63 HG LEU 63 9.965 0.993 -4.320 496 HD11 LEU 63 HD11 LEU 63 12.186 0.378 -4.632 497 HD12 LEU 63 HD12 LEU 63 11.111 0.008 -5.982 498 HD13 LEU 63 HD13 LEU 63 11.654 -1.291 -4.932 499 HD21 LEU 63 HD21 LEU 63 9.001 -1.835 -4.301 500 HD22 LEU 63 HD22 LEU 63 8.692 -0.577 -5.536 501 HD23 LEU 63 HD23 LEU 63 8.038 -0.398 -3.909 502 H GLN 64 HN GLN 64 12.993 -1.193 -1.927 503 HA GLN 64 HA GLN 64 13.246 -2.498 -4.357 504 HB2 GLN 64 HB2 GLN 64 15.263 -2.018 -2.135 505 HB3 GLN 64 HB3 GLN 64 15.736 -2.889 -3.553 506 HG2 GLN 64 HG2 GLN 64 15.463 -1.080 -4.872 507 HG3 GLN 64 HG3 GLN 64 14.482 -0.150 -3.753 508 HE21 GLN 64 HE21 GLN 64 15.653 0.265 -1.636 509 HE22 GLN 64 HE22 GLN 64 17.351 0.755 -1.646 510 H ILE 65 HN ILE 65 13.223 -3.761 -1.026 511 HA ILE 65 HA ILE 65 14.062 -6.440 -1.522 512 HB ILE 65 HB ILE 65 12.352 -5.289 0.695 513 HG12 ILE 65 HG12 ILE 65 15.290 -6.047 0.808 514 HG13 ILE 65 HG13 ILE 65 14.785 -4.424 0.414 515 HG21 ILE 65 HG21 ILE 65 13.734 -7.975 0.596 516 HG22 ILE 65 HG22 ILE 65 12.914 -7.284 2.012 517 HG23 ILE 65 HG23 ILE 65 11.983 -7.679 0.584 518 HD11 ILE 65 HD11 ILE 65 15.320 -4.462 2.736 519 HD12 ILE 65 HD12 ILE 65 13.564 -4.289 2.613 520 HD13 ILE 65 HD13 ILE 65 14.284 -5.859 3.043 521 H LEU 66 HN LEU 66 10.753 -4.965 -1.444 522 HA LEU 66 HA LEU 66 9.361 -7.362 -2.123 523 HB2 LEU 66 HB2 LEU 66 8.626 -4.463 -2.730 524 HB3 LEU 66 HB3 LEU 66 7.609 -5.818 -3.142 525 HG LEU 66 HG LEU 66 6.710 -4.902 -1.165 526 HD11 LEU 66 HD11 LEU 66 6.864 -7.433 -1.201 527 HD12 LEU 66 HD12 LEU 66 6.742 -6.684 0.410 528 HD13 LEU 66 HD13 LEU 66 8.309 -7.271 -0.167 529 HD21 LEU 66 HD21 LEU 66 7.798 -4.525 0.837 530 HD22 LEU 66 HD22 LEU 66 8.657 -3.673 -0.468 531 HD23 LEU 66 HD23 LEU 66 9.331 -5.178 0.219 532 H GLN 67 HN GLN 67 11.224 -5.237 -4.148 533 HA GLN 67 HA GLN 67 9.995 -6.136 -6.665 534 HB2 GLN 67 HB2 GLN 67 12.332 -4.323 -5.949 535 HB3 GLN 67 HB3 GLN 67 11.804 -4.606 -7.607 536 HG2 GLN 67 HG2 GLN 67 9.914 -3.582 -5.448 537 HG3 GLN 67 HG3 GLN 67 10.912 -2.543 -6.442 538 HE21 GLN 67 HE21 GLN 67 8.266 -2.145 -6.417 539 HE22 GLN 67 HE22 GLN 67 7.659 -2.473 -8.025 540 H ALA 68 HN ALA 68 11.869 -7.866 -4.683 541 HA ALA 68 HA ALA 68 13.353 -9.147 -6.923 542 HB1 ALA 68 HB1 ALA 68 14.803 -7.586 -5.671 543 HB2 ALA 68 HB2 ALA 68 14.406 -8.405 -4.150 544 HB3 ALA 68 HB3 ALA 68 15.314 -9.266 -5.399 545 H LEU 69 HN LEU 69 10.837 -9.846 -5.203 546 HA LEU 69 HA LEU 69 11.673 -12.494 -4.256 547 HB2 LEU 69 HB2 LEU 69 10.754 -12.170 -1.997 548 HB3 LEU 69 HB3 LEU 69 12.123 -11.144 -2.355 549 HG LEU 69 HG LEU 69 10.512 -9.247 -2.809 550 HD11 LEU 69 HD11 LEU 69 8.401 -10.200 -3.196 551 HD12 LEU 69 HD12 LEU 69 8.279 -9.405 -1.637 552 HD13 LEU 69 HD13 LEU 69 8.476 -11.162 -1.694 553 HD21 LEU 69 HD21 LEU 69 10.200 -8.753 -0.438 554 HD22 LEU 69 HD22 LEU 69 11.762 -9.526 -0.699 555 HD23 LEU 69 HD23 LEU 69 10.428 -10.475 -0.021 556 H HIS 70 HN HIS 70 9.559 -13.406 -3.012 557 HA HIS 70 HA HIS 70 7.893 -14.133 -5.167 558 HB2 HIS 70 HB2 HIS 70 6.707 -15.413 -3.252 559 HB3 HIS 70 HB3 HIS 70 8.377 -15.792 -3.645 560 HD1 HIS 70 HD1 HIS 70 10.303 -15.042 -1.809 561 HD2 HIS 70 HD2 HIS 70 6.237 -14.577 -0.762 562 HE1 HIS 70 HE1 HIS 70 10.226 -14.706 0.701 563 HA PRO 71 HA PRO 71 4.941 -11.101 -5.271 564 HB2 PRO 71 HB2 PRO 71 2.610 -12.395 -6.129 565 HB3 PRO 71 HB3 PRO 71 4.004 -11.981 -7.150 566 HG2 PRO 71 HG2 PRO 71 3.365 -14.593 -5.781 567 HG3 PRO 71 HG3 PRO 71 3.974 -14.333 -7.449 568 HD2 PRO 71 HD2 PRO 71 5.606 -15.082 -5.411 569 HD3 PRO 71 HD3 PRO 71 6.157 -13.930 -6.668 570 HA PRO 72 HA PRO 72 2.672 -10.529 -1.667 571 HB2 PRO 72 HB2 PRO 72 0.470 -8.991 -2.425 572 HB3 PRO 72 HB3 PRO 72 2.157 -8.391 -2.264 573 HG2 PRO 72 HG2 PRO 72 0.652 -9.243 -4.739 574 HG3 PRO 72 HG3 PRO 72 1.733 -7.831 -4.522 575 HD2 PRO 72 HD2 PRO 72 2.570 -10.128 -5.706 576 HD3 PRO 72 HD3 PRO 72 3.654 -9.168 -4.667 577 H LEU 73 HN LEU 73 0.929 -11.182 -0.344 578 HA LEU 73 HA LEU 73 -0.743 -13.364 -1.316 579 HB2 LEU 73 HB2 LEU 73 0.784 -13.363 0.748 580 HB3 LEU 73 HB3 LEU 73 -0.325 -12.235 1.490 581 HG LEU 73 HG LEU 73 -0.559 -14.549 2.259 582 HD11 LEU 73 HD11 LEU 73 -2.592 -13.032 2.183 583 HD12 LEU 73 HD12 LEU 73 -2.914 -14.786 2.241 584 HD13 LEU 73 HD13 LEU 73 -3.076 -13.941 0.724 585 HD21 LEU 73 HD21 LEU 73 -1.572 -15.250 -0.527 586 HD22 LEU 73 HD22 LEU 73 -1.413 -16.312 0.878 587 HD23 LEU 73 HD23 LEU 73 0.039 -15.670 0.094 588 H THR 74 HN THR 74 -2.951 -13.130 -1.411 589 HA THR 74 HA THR 74 -4.030 -10.360 -1.542 590 HB THR 74 HB THR 74 -4.406 -11.666 -3.440 591 HG1 THR 74 HG1 THR 74 -5.942 -10.378 -3.138 592 HG21 THR 74 HG21 THR 74 -5.815 -13.606 -3.550 593 HG22 THR 74 HG22 THR 74 -5.827 -13.735 -1.759 594 HG23 THR 74 HG23 THR 74 -4.314 -13.915 -2.694 595 H ILE 75 HN ILE 75 -6.153 -9.855 -0.596 596 HA ILE 75 HA ILE 75 -6.765 -11.354 1.883 597 HB ILE 75 HB ILE 75 -6.846 -8.343 1.917 598 HG12 ILE 75 HG12 ILE 75 -4.566 -8.538 3.155 599 HG13 ILE 75 HG13 ILE 75 -4.287 -9.960 2.181 600 HG21 ILE 75 HG21 ILE 75 -6.259 -10.492 4.002 601 HG22 ILE 75 HG22 ILE 75 -6.459 -8.765 4.323 602 HG23 ILE 75 HG23 ILE 75 -7.828 -9.711 3.756 603 HD11 ILE 75 HD11 ILE 75 -4.746 -7.105 1.225 604 HD12 ILE 75 HD12 ILE 75 -3.191 -7.947 1.372 605 HD13 ILE 75 HD13 ILE 75 -4.370 -8.484 0.157 606 H ASP 76 HN ASP 76 -7.962 -10.943 -0.918 607 HA ASP 76 HA ASP 76 -10.609 -11.358 -0.221 608 HB2 ASP 76 HB2 ASP 76 -10.192 -8.525 -0.216 609 HB3 ASP 76 HB3 ASP 76 -10.963 -8.830 -1.706 610 H GLY 77 HN GLY 77 -8.682 -12.607 -1.770 611 HA2 GLY 77 HA1 GLY 77 -8.346 -13.580 -3.791 612 HA3 GLY 77 HA2 GLY 77 -9.916 -12.932 -4.294 613 H LYS 78 HN LYS 78 -8.319 -10.167 -3.593 614 HA LYS 78 HA LYS 78 -7.579 -9.677 -6.430 615 HB2 LYS 78 HB2 LYS 78 -7.171 -7.317 -5.269 616 HB3 LYS 78 HB3 LYS 78 -8.720 -7.834 -5.901 617 HG2 LYS 78 HG2 LYS 78 -8.881 -6.637 -3.836 618 HG3 LYS 78 HG3 LYS 78 -9.604 -8.245 -3.766 619 HD2 LYS 78 HD2 LYS 78 -8.585 -8.107 -1.726 620 HD3 LYS 78 HD3 LYS 78 -7.338 -8.904 -2.670 621 HE2 LYS 78 HE2 LYS 78 -5.876 -7.263 -2.353 622 HE3 LYS 78 HE3 LYS 78 -7.039 -6.033 -2.856 623 HZ1 LYS 78 HZ1 LYS 78 -6.424 -5.692 -0.532 624 HZ2 LYS 78 HZ2 LYS 78 -6.944 -7.198 -0.122 625 HZ3 LYS 78 HZ3 LYS 78 -7.990 -6.062 -0.646 626 H THR 79 HN THR 79 -5.355 -10.345 -6.902 627 HA THR 79 HA THR 79 -3.484 -10.229 -4.751 628 HB THR 79 HB THR 79 -2.410 -10.158 -7.521 629 HG1 THR 79 HG1 THR 79 -3.284 -11.918 -8.174 630 HG21 THR 79 HG21 THR 79 -1.053 -10.626 -5.496 631 HG22 THR 79 HG22 THR 79 -1.123 -12.053 -6.550 632 HG23 THR 79 HG23 THR 79 -2.145 -11.986 -5.085 633 H ILE 80 HN ILE 80 -2.158 -8.579 -4.074 634 HA ILE 80 HA ILE 80 -2.806 -5.893 -4.901 635 HB ILE 80 HB ILE 80 -0.564 -6.909 -3.099 636 HG12 ILE 80 HG12 ILE 80 -2.771 -7.734 -2.269 637 HG13 ILE 80 HG13 ILE 80 -2.014 -6.595 -1.196 638 HG21 ILE 80 HG21 ILE 80 -0.920 -4.660 -1.953 639 HG22 ILE 80 HG22 ILE 80 -0.107 -4.612 -3.491 640 HG23 ILE 80 HG23 ILE 80 -1.838 -4.154 -3.385 641 HD11 ILE 80 HD11 ILE 80 -3.484 -4.788 -2.037 642 HD12 ILE 80 HD12 ILE 80 -4.286 -5.940 -3.124 643 HD13 ILE 80 HD13 ILE 80 -4.383 -6.136 -1.348 644 H ASN 81 HN ASN 81 -1.033 -4.315 -5.461 645 HA ASN 81 HA ASN 81 1.176 -5.375 -7.121 646 HB2 ASN 81 HB2 ASN 81 -1.112 -3.741 -8.042 647 HB3 ASN 81 HB3 ASN 81 0.435 -2.928 -8.297 648 HD21 ASN 81 HD21 ASN 81 -0.941 -6.212 -8.607 649 HD22 ASN 81 HD22 ASN 81 -0.013 -6.562 -10.089 650 H VAL 82 HN VAL 82 2.909 -3.825 -7.230 651 HA VAL 82 HA VAL 82 2.969 -1.862 -4.982 652 HB VAL 82 HB VAL 82 5.184 -3.725 -5.981 653 HG11 VAL 82 HG11 VAL 82 6.388 -3.068 -3.915 654 HG12 VAL 82 HG12 VAL 82 6.112 -1.688 -4.968 655 HG13 VAL 82 HG13 VAL 82 5.089 -1.911 -3.532 656 HG21 VAL 82 HG21 VAL 82 3.426 -3.961 -3.499 657 HG22 VAL 82 HG22 VAL 82 3.538 -5.117 -4.850 658 HG23 VAL 82 HG23 VAL 82 4.906 -4.906 -3.780 659 H GLU 83 HN GLU 83 4.172 0.057 -5.410 660 HA GLU 83 HA GLU 83 5.794 0.295 -7.774 661 HB2 GLU 83 HB2 GLU 83 4.544 2.705 -8.053 662 HB3 GLU 83 HB3 GLU 83 4.139 1.221 -8.912 663 HG2 GLU 83 HG2 GLU 83 2.340 0.789 -7.543 664 HG3 GLU 83 HG3 GLU 83 2.752 2.164 -6.526 665 H PHE 84 HN PHE 84 6.510 2.629 -7.763 666 HA PHE 84 HA PHE 84 7.511 3.399 -5.059 667 HB2 PHE 84 HB2 PHE 84 9.078 1.752 -6.166 668 HB3 PHE 84 HB3 PHE 84 9.336 2.903 -7.438 669 HD1 PHE 84 HD1 PHE 84 9.201 3.362 -3.663 670 HD2 PHE 84 HD2 PHE 84 11.606 3.552 -7.248 671 HE1 PHE 84 HE1 PHE 84 11.086 4.299 -2.362 672 HE2 PHE 84 HE2 PHE 84 13.497 4.430 -5.930 673 HZ PHE 84 HZ PHE 84 13.235 4.810 -3.465 674 H ALA 85 HN ALA 85 6.334 5.247 -5.108 675 HA ALA 85 HA ALA 85 6.564 7.173 -7.361 676 HB1 ALA 85 HB1 ALA 85 4.299 6.754 -6.547 677 HB2 ALA 85 HB2 ALA 85 4.790 7.119 -4.882 678 HB3 ALA 85 HB3 ALA 85 4.814 8.400 -6.118 679 H LYS 86 HN LYS 86 8.955 6.990 -6.621 680 HA LYS 86 HA LYS 86 9.553 8.474 -4.157 681 HB2 LYS 86 HB2 LYS 86 10.861 6.477 -5.212 682 HB3 LYS 86 HB3 LYS 86 11.629 7.669 -6.238 683 HG2 LYS 86 HG2 LYS 86 11.541 7.671 -3.174 684 HG3 LYS 86 HG3 LYS 86 12.874 7.063 -4.128 685 HD2 LYS 86 HD2 LYS 86 12.014 9.974 -4.102 686 HD3 LYS 86 HD3 LYS 86 13.317 9.252 -3.149 687 HE2 LYS 86 HE2 LYS 86 14.255 8.354 -5.381 688 HE3 LYS 86 HE3 LYS 86 13.161 9.483 -6.188 689 HZ1 LYS 86 HZ1 LYS 86 15.371 10.353 -5.884 690 HZ2 LYS 86 HZ2 LYS 86 15.299 10.175 -4.259 691 HZ3 LYS 86 HZ3 LYS 86 14.333 11.290 -5.054 692 H GLY 87 HN GLY 87 8.207 10.285 -4.844 693 HA2 GLY 87 HA1 GLY 87 8.696 11.765 -7.245 694 HA3 GLY 87 HA2 GLY 87 7.654 12.216 -5.880 695 H SER 88 HN SER 88 11.049 11.943 -6.823 696 HA SER 88 HA SER 88 12.283 13.392 -4.805 697 HB2 SER 88 HB2 SER 88 13.170 12.055 -6.985 698 HB3 SER 88 HB3 SER 88 13.303 13.701 -7.620 699 HG SER 88 HG SER 88 14.648 14.243 -6.010 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 6.700 10.349 2.169 2 HA2 GLY 1 HA1 GLY 1 7.565 11.801 3.952 3 HA3 GLY 1 HA2 GLY 1 9.186 11.215 3.535 4 H HIS 2 HN HIS 2 9.780 13.444 3.133 5 HA HIS 2 HA HIS 2 8.749 15.083 1.080 6 HB2 HIS 2 HB2 HIS 2 11.582 14.634 2.092 7 HB3 HIS 2 HB3 HIS 2 11.196 15.817 0.847 8 HD1 HIS 2 HD1 HIS 2 9.702 17.925 1.561 9 HD2 HIS 2 HD2 HIS 2 10.936 15.306 4.629 10 HE1 HIS 2 HE1 HIS 2 9.423 19.212 3.766 11 H MET 3 HN MET 3 10.903 12.185 0.767 12 HA MET 3 HA MET 3 9.945 11.969 -1.971 13 HB2 MET 3 HB2 MET 3 12.221 11.706 -2.902 14 HB3 MET 3 HB3 MET 3 11.870 13.348 -2.409 15 HG2 MET 3 HG2 MET 3 13.177 11.791 -0.285 16 HG3 MET 3 HG3 MET 3 14.109 11.816 -1.769 17 HE1 MET 3 HE1 MET 3 16.324 14.376 -0.267 18 HE2 MET 3 HE2 MET 3 15.884 12.689 0.060 19 HE3 MET 3 HE3 MET 3 16.118 13.229 -1.610 20 H ASP 4 HN ASP 4 8.857 10.159 -1.134 21 HA ASP 4 HA ASP 4 9.835 7.796 -1.710 22 HB2 ASP 4 HB2 ASP 4 10.879 8.362 0.962 23 HB3 ASP 4 HB3 ASP 4 9.748 7.086 1.064 24 H THR 5 HN THR 5 7.824 7.206 -2.352 25 HA THR 5 HA THR 5 5.704 6.829 -0.295 26 HB THR 5 HB THR 5 5.228 7.847 -3.121 27 HG1 THR 5 HG1 THR 5 5.055 9.739 -2.353 28 HG21 THR 5 HG21 THR 5 3.363 6.511 -2.453 29 HG22 THR 5 HG22 THR 5 2.886 8.195 -2.254 30 HG23 THR 5 HG23 THR 5 3.333 7.230 -0.836 31 H ILE 6 HN ILE 6 4.739 4.816 -0.560 32 HA ILE 6 HA ILE 6 5.306 3.221 -2.999 33 HB ILE 6 HB ILE 6 4.505 2.237 -0.238 34 HG12 ILE 6 HG12 ILE 6 7.164 2.023 -1.685 35 HG13 ILE 6 HG13 ILE 6 6.808 2.980 -0.239 36 HG21 ILE 6 HG21 ILE 6 5.211 0.566 -2.663 37 HG22 ILE 6 HG22 ILE 6 4.667 -0.018 -1.083 38 HG23 ILE 6 HG23 ILE 6 3.554 0.863 -2.110 39 HD11 ILE 6 HD11 ILE 6 6.249 0.876 0.996 40 HD12 ILE 6 HD12 ILE 6 6.873 -0.029 -0.413 41 HD13 ILE 6 HD13 ILE 6 7.944 1.046 0.490 42 H ILE 7 HN ILE 7 3.467 2.681 -4.146 43 HA ILE 7 HA ILE 7 0.807 3.479 -3.075 44 HB ILE 7 HB ILE 7 1.660 3.483 -5.978 45 HG12 ILE 7 HG12 ILE 7 0.657 6.044 -5.222 46 HG13 ILE 7 HG13 ILE 7 1.819 5.604 -3.991 47 HG21 ILE 7 HG21 ILE 7 -0.696 2.879 -5.906 48 HG22 ILE 7 HG22 ILE 7 -1.043 4.267 -4.837 49 HG23 ILE 7 HG23 ILE 7 -0.517 4.532 -6.497 50 HD11 ILE 7 HD11 ILE 7 2.357 5.375 -6.981 51 HD12 ILE 7 HD12 ILE 7 2.691 6.813 -6.007 52 HD13 ILE 7 HD13 ILE 7 3.544 5.276 -5.656 53 H LEU 8 HN LEU 8 -0.879 1.988 -3.728 54 HA LEU 8 HA LEU 8 0.070 -0.712 -4.465 55 HB2 LEU 8 HB2 LEU 8 -2.076 -0.085 -2.427 56 HB3 LEU 8 HB3 LEU 8 -1.625 -1.674 -3.016 57 HG LEU 8 HG LEU 8 0.745 -1.132 -2.017 58 HD11 LEU 8 HD11 LEU 8 0.343 1.246 -1.438 59 HD12 LEU 8 HD12 LEU 8 0.583 0.281 -0.002 60 HD13 LEU 8 HD13 LEU 8 -1.056 0.788 -0.439 61 HD21 LEU 8 HD21 LEU 8 -0.127 -1.930 0.244 62 HD22 LEU 8 HD22 LEU 8 -0.600 -2.886 -1.145 63 HD23 LEU 8 HD23 LEU 8 -1.782 -1.766 -0.414 64 H ARG 9 HN ARG 9 -1.631 -1.923 -5.637 65 HA ARG 9 HA ARG 9 -3.949 -0.285 -6.544 66 HB2 ARG 9 HB2 ARG 9 -2.754 -2.014 -8.656 67 HB3 ARG 9 HB3 ARG 9 -3.631 -0.546 -8.772 68 HG2 ARG 9 HG2 ARG 9 -1.674 0.747 -8.115 69 HG3 ARG 9 HG3 ARG 9 -0.686 -0.681 -7.979 70 HD2 ARG 9 HD2 ARG 9 -0.852 -1.183 -10.317 71 HD3 ARG 9 HD3 ARG 9 -2.188 -0.047 -10.527 72 HE ARG 9 HE ARG 9 0.035 1.452 -9.646 73 HH11 ARG 9 HH11 ARG 9 -0.970 -0.344 -12.544 74 HH12 ARG 9 HH12 ARG 9 -0.106 0.704 -13.633 75 HH21 ARG 9 HH21 ARG 9 1.478 2.589 -11.122 76 HH22 ARG 9 HH22 ARG 9 1.286 2.310 -12.806 77 H ASN 10 HN ASN 10 -5.682 -1.612 -7.435 78 HA ASN 10 HA ASN 10 -7.061 -3.346 -7.580 79 HB2 ASN 10 HB2 ASN 10 -5.266 -4.475 -8.773 80 HB3 ASN 10 HB3 ASN 10 -4.611 -5.137 -7.298 81 HD21 ASN 10 HD21 ASN 10 -4.998 -7.300 -7.672 82 HD22 ASN 10 HD22 ASN 10 -6.533 -7.985 -8.141 83 H LEU 11 HN LEU 11 -6.903 -1.934 -5.175 84 HA LEU 11 HA LEU 11 -7.100 -3.805 -2.953 85 HB2 LEU 11 HB2 LEU 11 -7.777 -0.861 -3.345 86 HB3 LEU 11 HB3 LEU 11 -7.957 -1.701 -1.823 87 HG LEU 11 HG LEU 11 -5.969 -0.215 -2.188 88 HD11 LEU 11 HD11 LEU 11 -5.446 -3.050 -1.216 89 HD12 LEU 11 HD12 LEU 11 -6.037 -1.683 -0.260 90 HD13 LEU 11 HD13 LEU 11 -4.383 -1.672 -0.883 91 HD21 LEU 11 HD21 LEU 11 -5.247 -1.009 -4.386 92 HD22 LEU 11 HD22 LEU 11 -4.623 -2.473 -3.613 93 HD23 LEU 11 HD23 LEU 11 -3.975 -0.891 -3.180 94 H ASN 12 HN ASN 12 -8.885 -5.130 -2.963 95 HA ASN 12 HA ASN 12 -11.332 -4.773 -4.367 96 HB2 ASN 12 HB2 ASN 12 -10.397 -6.524 -2.135 97 HB3 ASN 12 HB3 ASN 12 -12.058 -6.099 -1.988 98 HD21 ASN 12 HD21 ASN 12 -12.383 -8.530 -2.212 99 HD22 ASN 12 HD22 ASN 12 -12.638 -9.052 -3.845 100 HA PRO 13 HA PRO 13 -13.475 -1.608 -2.135 101 HB2 PRO 13 HB2 PRO 13 -16.066 -2.620 -2.085 102 HB3 PRO 13 HB3 PRO 13 -15.271 -1.839 -3.494 103 HG2 PRO 13 HG2 PRO 13 -15.545 -4.798 -2.861 104 HG3 PRO 13 HG3 PRO 13 -15.849 -3.972 -4.420 105 HD2 PRO 13 HD2 PRO 13 -13.549 -5.236 -3.999 106 HD3 PRO 13 HD3 PRO 13 -13.577 -3.664 -4.852 107 H HIS 14 HN HIS 14 -14.131 -4.940 -1.169 108 HA HIS 14 HA HIS 14 -14.784 -4.574 1.513 109 HB2 HIS 14 HB2 HIS 14 -14.106 -6.799 -0.288 110 HB3 HIS 14 HB3 HIS 14 -13.535 -7.086 1.345 111 HD1 HIS 14 HD1 HIS 14 -15.307 -7.393 3.249 112 HD2 HIS 14 HD2 HIS 14 -16.872 -6.346 -0.522 113 HE1 HIS 14 HE1 HIS 14 -17.835 -7.749 3.396 114 H SER 15 HN SER 15 -11.665 -3.847 0.271 115 HA SER 15 HA SER 15 -10.257 -4.645 2.760 116 HB2 SER 15 HB2 SER 15 -9.356 -3.286 0.174 117 HB3 SER 15 HB3 SER 15 -8.314 -3.635 1.554 118 HG SER 15 HG SER 15 -9.850 -5.762 0.637 119 H THR 16 HN THR 16 -8.941 -2.857 3.794 120 HA THR 16 HA THR 16 -9.862 -0.142 3.353 121 HB THR 16 HB THR 16 -11.615 -0.828 4.734 122 HG1 THR 16 HG1 THR 16 -11.516 0.628 6.233 123 HG21 THR 16 HG21 THR 16 -10.571 -2.768 5.963 124 HG22 THR 16 HG22 THR 16 -11.510 -1.674 6.964 125 HG23 THR 16 HG23 THR 16 -9.753 -1.582 7.025 126 H MET 17 HN MET 17 -8.226 -1.703 6.109 127 HA MET 17 HA MET 17 -5.544 -0.967 5.199 128 HB2 MET 17 HB2 MET 17 -6.245 1.120 6.101 129 HB3 MET 17 HB3 MET 17 -6.896 0.394 7.569 130 HG2 MET 17 HG2 MET 17 -4.605 -0.237 8.251 131 HG3 MET 17 HG3 MET 17 -3.965 0.416 6.740 132 HE1 MET 17 HE1 MET 17 -5.810 3.038 10.133 133 HE2 MET 17 HE2 MET 17 -6.829 2.047 9.079 134 HE3 MET 17 HE3 MET 17 -5.715 1.279 10.219 135 H ASP 18 HN ASP 18 -7.416 -1.564 8.201 136 HA ASP 18 HA ASP 18 -5.559 -3.084 9.518 137 HB2 ASP 18 HB2 ASP 18 -7.660 -2.166 10.425 138 HB3 ASP 18 HB3 ASP 18 -8.583 -3.412 9.564 139 H SER 19 HN SER 19 -7.872 -4.132 7.075 140 HA SER 19 HA SER 19 -7.277 -6.992 7.273 141 HB2 SER 19 HB2 SER 19 -8.677 -5.469 5.046 142 HB3 SER 19 HB3 SER 19 -8.739 -7.169 5.488 143 HG SER 19 HG SER 19 -9.570 -6.126 7.651 144 H ILE 20 HN ILE 20 -5.313 -5.023 6.466 145 HA ILE 20 HA ILE 20 -3.978 -6.458 4.211 146 HB ILE 20 HB ILE 20 -3.906 -3.442 4.535 147 HG12 ILE 20 HG12 ILE 20 -5.249 -5.017 2.292 148 HG13 ILE 20 HG13 ILE 20 -6.137 -4.360 3.669 149 HG21 ILE 20 HG21 ILE 20 -1.822 -4.387 3.612 150 HG22 ILE 20 HG22 ILE 20 -2.755 -5.213 2.347 151 HG23 ILE 20 HG23 ILE 20 -2.669 -3.439 2.409 152 HD11 ILE 20 HD11 ILE 20 -6.353 -2.819 1.890 153 HD12 ILE 20 HD12 ILE 20 -5.351 -2.102 3.163 154 HD13 ILE 20 HD13 ILE 20 -4.605 -2.718 1.659 155 H LEU 21 HN LEU 21 -3.557 -4.170 6.988 156 HA LEU 21 HA LEU 21 -0.755 -4.547 7.133 157 HB2 LEU 21 HB2 LEU 21 -2.775 -3.575 9.195 158 HB3 LEU 21 HB3 LEU 21 -1.034 -3.571 9.462 159 HG LEU 21 HG LEU 21 -2.534 -2.043 7.284 160 HD11 LEU 21 HD11 LEU 21 -1.812 -0.037 8.452 161 HD12 LEU 21 HD12 LEU 21 -0.942 -1.016 9.669 162 HD13 LEU 21 HD13 LEU 21 -2.714 -1.081 9.557 163 HD21 LEU 21 HD21 LEU 21 0.448 -2.301 7.785 164 HD22 LEU 21 HD22 LEU 21 -0.279 -0.986 6.838 165 HD23 LEU 21 HD23 LEU 21 -0.442 -2.639 6.278 166 H GLY 22 HN GLY 22 -3.184 -6.712 8.262 167 HA2 GLY 22 HA1 GLY 22 -1.314 -8.182 9.992 168 HA3 GLY 22 HA2 GLY 22 -2.961 -8.634 9.581 169 H ALA 23 HN ALA 23 -1.825 -8.046 6.601 170 HA ALA 23 HA ALA 23 -1.092 -10.922 6.176 171 HB1 ALA 23 HB1 ALA 23 -3.304 -9.242 4.976 172 HB2 ALA 23 HB2 ALA 23 -2.825 -10.844 4.355 173 HB3 ALA 23 HB3 ALA 23 -3.493 -10.683 5.992 174 H LEU 24 HN LEU 24 -0.618 -7.642 5.146 175 HA LEU 24 HA LEU 24 1.084 -8.527 2.892 176 HB2 LEU 24 HB2 LEU 24 -0.994 -6.873 2.653 177 HB3 LEU 24 HB3 LEU 24 0.120 -5.705 3.361 178 HG LEU 24 HG LEU 24 1.758 -6.444 1.456 179 HD11 LEU 24 HD11 LEU 24 0.427 -8.451 0.802 180 HD12 LEU 24 HD12 LEU 24 0.731 -7.355 -0.551 181 HD13 LEU 24 HD13 LEU 24 -0.866 -7.388 0.220 182 HD21 LEU 24 HD21 LEU 24 0.669 -4.241 1.516 183 HD22 LEU 24 HD22 LEU 24 -0.795 -4.921 0.769 184 HD23 LEU 24 HD23 LEU 24 0.732 -4.862 -0.136 185 H ALA 25 HN ALA 25 1.693 -8.560 5.832 186 HA ALA 25 HA ALA 25 3.878 -6.534 6.020 187 HB1 ALA 25 HB1 ALA 25 3.362 -6.413 8.387 188 HB2 ALA 25 HB2 ALA 25 2.021 -5.853 7.363 189 HB3 ALA 25 HB3 ALA 25 1.949 -7.459 8.142 190 HA PRO 26 HA PRO 26 5.521 -10.848 7.007 191 HB2 PRO 26 HB2 PRO 26 7.179 -11.269 4.844 192 HB3 PRO 26 HB3 PRO 26 5.503 -11.862 4.983 193 HG2 PRO 26 HG2 PRO 26 6.485 -9.502 3.423 194 HG3 PRO 26 HG3 PRO 26 5.195 -10.654 3.026 195 HD2 PRO 26 HD2 PRO 26 4.833 -8.087 4.152 196 HD3 PRO 26 HD3 PRO 26 3.661 -9.428 4.207 197 H TYR 27 HN TYR 27 7.187 -8.268 5.154 198 HA TYR 27 HA TYR 27 9.474 -8.236 7.031 199 HB2 TYR 27 HB2 TYR 27 9.035 -6.806 4.378 200 HB3 TYR 27 HB3 TYR 27 10.534 -6.896 5.266 201 HD1 TYR 27 HD1 TYR 27 8.288 -8.518 2.987 202 HD2 TYR 27 HD2 TYR 27 11.726 -9.188 5.471 203 HE1 TYR 27 HE1 TYR 27 8.501 -10.763 2.012 204 HE2 TYR 27 HE2 TYR 27 12.067 -11.393 4.407 205 HH TYR 27 HH TYR 27 11.429 -12.634 2.423 206 H ALA 28 HN ALA 28 6.731 -6.277 6.170 207 HA ALA 28 HA ALA 28 7.666 -4.124 8.001 208 HB1 ALA 28 HB1 ALA 28 8.188 -3.136 5.962 209 HB2 ALA 28 HB2 ALA 28 6.738 -3.762 5.138 210 HB3 ALA 28 HB3 ALA 28 6.592 -2.499 6.399 211 H VAL 29 HN VAL 29 6.325 -4.489 9.543 212 HA VAL 29 HA VAL 29 3.410 -4.260 9.198 213 HB VAL 29 HB VAL 29 5.167 -3.913 11.693 214 HG11 VAL 29 HG11 VAL 29 2.955 -4.219 12.881 215 HG12 VAL 29 HG12 VAL 29 3.073 -2.721 11.964 216 HG13 VAL 29 HG13 VAL 29 2.137 -4.081 11.311 217 HG21 VAL 29 HG21 VAL 29 3.484 -6.303 10.838 218 HG22 VAL 29 HG22 VAL 29 5.259 -6.235 10.959 219 HG23 VAL 29 HG23 VAL 29 4.284 -6.077 12.416 220 H LEU 30 HN LEU 30 2.599 -2.320 8.892 221 HA LEU 30 HA LEU 30 4.196 0.185 9.301 222 HB2 LEU 30 HB2 LEU 30 1.586 -0.247 7.809 223 HB3 LEU 30 HB3 LEU 30 2.433 1.283 7.943 224 HG LEU 30 HG LEU 30 3.709 -1.176 6.633 225 HD11 LEU 30 HD11 LEU 30 3.093 -0.272 4.499 226 HD12 LEU 30 HD12 LEU 30 2.179 1.049 5.277 227 HD13 LEU 30 HD13 LEU 30 1.658 -0.653 5.438 228 HD21 LEU 30 HD21 LEU 30 5.078 0.608 5.536 229 HD22 LEU 30 HD22 LEU 30 5.338 0.469 7.287 230 HD23 LEU 30 HD23 LEU 30 4.355 1.804 6.627 231 H SER 31 HN SER 31 2.861 1.979 10.388 232 HA SER 31 HA SER 31 1.937 0.817 12.865 233 HB2 SER 31 HB2 SER 31 1.941 3.691 11.891 234 HB3 SER 31 HB3 SER 31 1.701 3.181 13.565 235 HG SER 31 HG SER 31 3.915 3.822 12.826 236 H SER 32 HN SER 32 0.370 3.215 10.821 237 HA SER 32 HA SER 32 -1.735 1.915 9.720 238 HB2 SER 32 HB2 SER 32 -2.559 3.060 12.412 239 HB3 SER 32 HB3 SER 32 -3.684 2.941 11.061 240 HG SER 32 HG SER 32 -2.149 0.812 12.128 241 H SER 33 HN SER 33 -0.940 4.992 11.479 242 HA SER 33 HA SER 33 -2.301 6.643 9.684 243 HB2 SER 33 HB2 SER 33 -1.434 8.420 10.773 244 HB3 SER 33 HB3 SER 33 -1.262 7.176 12.002 245 HG SER 33 HG SER 33 0.923 7.051 11.616 246 H ASN 34 HN ASN 34 0.765 5.120 9.281 247 HA ASN 34 HA ASN 34 1.965 6.484 7.131 248 HB2 ASN 34 HB2 ASN 34 1.692 3.466 7.551 249 HB3 ASN 34 HB3 ASN 34 2.858 4.226 6.487 250 HD21 ASN 34 HD21 ASN 34 4.603 5.554 7.446 251 HD22 ASN 34 HD22 ASN 34 5.037 5.316 9.139 252 H VAL 35 HN VAL 35 -0.940 4.421 7.129 253 HA VAL 35 HA VAL 35 -0.743 4.081 4.222 254 HB VAL 35 HB VAL 35 -2.663 2.787 6.190 255 HG11 VAL 35 HG11 VAL 35 -1.792 1.951 3.382 256 HG12 VAL 35 HG12 VAL 35 -2.955 1.100 4.435 257 HG13 VAL 35 HG13 VAL 35 -3.345 2.701 3.783 258 HG21 VAL 35 HG21 VAL 35 -0.418 2.132 6.864 259 HG22 VAL 35 HG22 VAL 35 -1.193 0.798 6.011 260 HG23 VAL 35 HG23 VAL 35 0.017 1.785 5.167 261 H ARG 36 HN ARG 36 -1.703 5.698 3.013 262 HA ARG 36 HA ARG 36 -4.257 6.886 3.991 263 HB2 ARG 36 HB2 ARG 36 -2.235 8.272 3.114 264 HB3 ARG 36 HB3 ARG 36 -2.727 7.745 1.511 265 HG2 ARG 36 HG2 ARG 36 -4.490 9.231 3.521 266 HG3 ARG 36 HG3 ARG 36 -3.548 9.973 2.232 267 HD2 ARG 36 HD2 ARG 36 -4.913 8.711 0.533 268 HD3 ARG 36 HD3 ARG 36 -5.885 8.058 1.858 269 HE ARG 36 HE ARG 36 -7.069 9.958 1.990 270 HH11 ARG 36 HH11 ARG 36 -4.267 10.705 -0.120 271 HH12 ARG 36 HH12 ARG 36 -4.697 12.381 -0.231 272 HH21 ARG 36 HH21 ARG 36 -7.577 12.171 1.769 273 HH22 ARG 36 HH22 ARG 36 -6.542 13.213 0.830 274 H VAL 37 HN VAL 37 -6.112 5.932 3.218 275 HA VAL 37 HA VAL 37 -6.099 4.894 0.441 276 HB VAL 37 HB VAL 37 -7.709 3.600 2.669 277 HG11 VAL 37 HG11 VAL 37 -8.637 3.318 0.425 278 HG12 VAL 37 HG12 VAL 37 -7.066 2.750 -0.189 279 HG13 VAL 37 HG13 VAL 37 -7.958 1.801 1.007 280 HG21 VAL 37 HG21 VAL 37 -5.541 2.994 3.319 281 HG22 VAL 37 HG22 VAL 37 -6.038 1.640 2.293 282 HG23 VAL 37 HG23 VAL 37 -4.953 2.886 1.656 283 H ILE 38 HN ILE 38 -7.327 6.323 -0.639 284 HA ILE 38 HA ILE 38 -9.213 8.098 0.671 285 HB ILE 38 HB ILE 38 -8.871 7.426 -2.281 286 HG12 ILE 38 HG12 ILE 38 -7.743 9.874 -0.861 287 HG13 ILE 38 HG13 ILE 38 -6.790 8.413 -1.113 288 HG21 ILE 38 HG21 ILE 38 -10.047 9.605 -2.651 289 HG22 ILE 38 HG22 ILE 38 -11.061 8.491 -1.742 290 HG23 ILE 38 HG23 ILE 38 -10.215 9.804 -0.899 291 HD11 ILE 38 HD11 ILE 38 -6.257 9.933 -2.862 292 HD12 ILE 38 HD12 ILE 38 -7.155 8.577 -3.566 293 HD13 ILE 38 HD13 ILE 38 -7.960 10.144 -3.306 294 H LYS 39 HN LYS 39 -11.142 7.410 1.396 295 HA LYS 39 HA LYS 39 -12.477 5.084 0.083 296 HB2 LYS 39 HB2 LYS 39 -13.288 6.232 2.770 297 HB3 LYS 39 HB3 LYS 39 -13.806 4.746 2.006 298 HG2 LYS 39 HG2 LYS 39 -12.351 3.731 3.365 299 HG3 LYS 39 HG3 LYS 39 -11.110 4.231 2.222 300 HD2 LYS 39 HD2 LYS 39 -10.676 6.265 3.561 301 HD3 LYS 39 HD3 LYS 39 -11.986 5.865 4.673 302 HE2 LYS 39 HE2 LYS 39 -9.550 4.101 4.205 303 HE3 LYS 39 HE3 LYS 39 -9.630 5.343 5.458 304 HZ1 LYS 39 HZ1 LYS 39 -10.206 3.176 6.319 305 HZ2 LYS 39 HZ2 LYS 39 -11.466 3.030 5.281 306 HZ3 LYS 39 HZ3 LYS 39 -11.503 4.190 6.437 307 H ASP 40 HN ASP 40 -14.593 5.433 -0.715 308 HA ASP 40 HA ASP 40 -15.156 8.027 -1.636 309 HB2 ASP 40 HB2 ASP 40 -16.040 5.680 -2.373 310 HB3 ASP 40 HB3 ASP 40 -17.345 6.009 -1.215 311 H LYS 41 HN LYS 41 -17.324 9.221 -1.288 312 HA LYS 41 HA LYS 41 -17.763 9.737 1.604 313 HB2 LYS 41 HB2 LYS 41 -18.572 11.247 -0.925 314 HB3 LYS 41 HB3 LYS 41 -19.427 11.484 0.592 315 HG2 LYS 41 HG2 LYS 41 -17.344 12.126 1.728 316 HG3 LYS 41 HG3 LYS 41 -16.446 11.977 0.227 317 HD2 LYS 41 HD2 LYS 41 -17.468 13.872 -0.728 318 HD3 LYS 41 HD3 LYS 41 -18.883 13.782 0.334 319 HE2 LYS 41 HE2 LYS 41 -17.639 14.561 2.238 320 HE3 LYS 41 HE3 LYS 41 -16.104 14.462 1.363 321 HZ1 LYS 41 HZ1 LYS 41 -18.258 16.311 0.519 322 HZ2 LYS 41 HZ2 LYS 41 -16.665 16.286 0.051 323 HZ3 LYS 41 HZ3 LYS 41 -17.067 16.732 1.546 324 H GLN 42 HN GLN 42 -19.501 8.652 -1.330 325 HA GLN 42 HA GLN 42 -21.939 8.259 0.336 326 HB2 GLN 42 HB2 GLN 42 -21.512 9.006 -2.389 327 HB3 GLN 42 HB3 GLN 42 -22.179 7.386 -2.433 328 HG2 GLN 42 HG2 GLN 42 -24.120 8.015 -1.166 329 HG3 GLN 42 HG3 GLN 42 -23.443 9.591 -0.748 330 HE21 GLN 42 HE21 GLN 42 -23.093 11.170 -2.426 331 HE22 GLN 42 HE22 GLN 42 -23.915 11.080 -3.970 332 H THR 43 HN THR 43 -19.624 6.496 -1.785 333 HA THR 43 HA THR 43 -21.198 4.076 -1.260 334 HB THR 43 HB THR 43 -19.734 2.920 -2.804 335 HG1 THR 43 HG1 THR 43 -18.137 3.832 -3.818 336 HG21 THR 43 HG21 THR 43 -20.618 5.643 -3.873 337 HG22 THR 43 HG22 THR 43 -21.670 4.226 -3.652 338 HG23 THR 43 HG23 THR 43 -20.347 4.168 -4.821 339 H GLN 44 HN GLN 44 -18.568 5.571 0.224 340 HA GLN 44 HA GLN 44 -17.312 5.149 2.018 341 HB2 GLN 44 HB2 GLN 44 -19.298 2.872 2.449 342 HB3 GLN 44 HB3 GLN 44 -18.074 3.296 3.605 343 HG2 GLN 44 HG2 GLN 44 -20.176 5.268 2.612 344 HG3 GLN 44 HG3 GLN 44 -20.317 4.290 4.076 345 HE21 GLN 44 HE21 GLN 44 -19.544 7.453 3.218 346 HE22 GLN 44 HE22 GLN 44 -18.486 7.716 4.585 347 H LEU 45 HN LEU 45 -16.779 3.605 -0.702 348 HA LEU 45 HA LEU 45 -15.039 1.448 0.410 349 HB2 LEU 45 HB2 LEU 45 -16.038 1.897 -2.421 350 HB3 LEU 45 HB3 LEU 45 -15.130 0.494 -1.851 351 HG LEU 45 HG LEU 45 -17.867 1.259 -0.812 352 HD11 LEU 45 HD11 LEU 45 -18.755 -0.479 -2.243 353 HD12 LEU 45 HD12 LEU 45 -17.149 -0.731 -2.945 354 HD13 LEU 45 HD13 LEU 45 -17.965 0.832 -3.142 355 HD21 LEU 45 HD21 LEU 45 -16.719 -0.054 0.812 356 HD22 LEU 45 HD22 LEU 45 -16.174 -1.213 -0.405 357 HD23 LEU 45 HD23 LEU 45 -17.888 -1.106 0.001 358 H ASN 46 HN ASN 46 -13.047 1.095 -0.553 359 HA ASN 46 HA ASN 46 -11.355 3.346 -0.931 360 HB2 ASN 46 HB2 ASN 46 -10.583 0.745 -2.266 361 HB3 ASN 46 HB3 ASN 46 -9.564 1.896 -1.445 362 HD21 ASN 46 HD21 ASN 46 -10.773 -1.208 -1.195 363 HD22 ASN 46 HD22 ASN 46 -10.776 -1.224 0.534 364 H ARG 47 HN ARG 47 -10.297 4.086 -2.846 365 HA ARG 47 HA ARG 47 -11.887 3.898 -5.312 366 HB2 ARG 47 HB2 ARG 47 -9.269 5.372 -4.851 367 HB3 ARG 47 HB3 ARG 47 -10.390 5.574 -6.215 368 HG2 ARG 47 HG2 ARG 47 -12.137 6.016 -4.198 369 HG3 ARG 47 HG3 ARG 47 -10.668 6.491 -3.366 370 HD2 ARG 47 HD2 ARG 47 -11.865 7.660 -5.890 371 HD3 ARG 47 HD3 ARG 47 -11.736 8.413 -4.294 372 HE ARG 47 HE ARG 47 -9.123 7.792 -5.166 373 HH11 ARG 47 HH11 ARG 47 -11.793 9.953 -6.147 374 HH12 ARG 47 HH12 ARG 47 -10.756 11.038 -7.028 375 HH21 ARG 47 HH21 ARG 47 -7.701 9.446 -6.160 376 HH22 ARG 47 HH22 ARG 47 -8.437 10.730 -6.981 377 H GLY 48 HN GLY 48 -10.341 1.462 -4.311 378 HA2 GLY 48 HA1 GLY 48 -9.314 -0.346 -5.232 379 HA3 GLY 48 HA2 GLY 48 -9.452 0.442 -6.795 380 H PHE 49 HN PHE 49 -7.663 2.373 -4.577 381 HA PHE 49 HA PHE 49 -5.105 1.027 -4.908 382 HB2 PHE 49 HB2 PHE 49 -4.000 3.099 -5.755 383 HB3 PHE 49 HB3 PHE 49 -4.989 2.238 -6.910 384 HD1 PHE 49 HD1 PHE 49 -4.572 5.357 -5.026 385 HD2 PHE 49 HD2 PHE 49 -7.111 3.194 -7.761 386 HE1 PHE 49 HE1 PHE 49 -5.754 7.462 -5.607 387 HE2 PHE 49 HE2 PHE 49 -8.293 5.285 -8.329 388 HZ PHE 49 HZ PHE 49 -7.619 7.425 -7.283 389 H ALA 50 HN ALA 50 -3.434 2.185 -3.552 390 HA ALA 50 HA ALA 50 -4.455 3.747 -1.283 391 HB1 ALA 50 HB1 ALA 50 -5.014 1.511 -0.515 392 HB2 ALA 50 HB2 ALA 50 -3.460 0.864 -1.056 393 HB3 ALA 50 HB3 ALA 50 -3.505 1.981 0.300 394 H PHE 51 HN PHE 51 -2.449 4.111 0.290 395 HA PHE 51 HA PHE 51 0.068 4.355 -1.236 396 HB2 PHE 51 HB2 PHE 51 -1.443 6.540 0.248 397 HB3 PHE 51 HB3 PHE 51 0.148 6.725 -0.416 398 HD1 PHE 51 HD1 PHE 51 0.489 7.286 -2.753 399 HD2 PHE 51 HD2 PHE 51 -3.451 6.275 -1.284 400 HE1 PHE 51 HE1 PHE 51 -0.519 8.176 -4.817 401 HE2 PHE 51 HE2 PHE 51 -4.446 7.124 -3.380 402 HZ PHE 51 HZ PHE 51 -2.985 8.043 -5.174 403 H ILE 52 HN ILE 52 1.836 4.563 0.134 404 HA ILE 52 HA ILE 52 1.498 4.357 3.074 405 HB ILE 52 HB ILE 52 3.458 2.932 1.325 406 HG12 ILE 52 HG12 ILE 52 1.429 1.576 3.099 407 HG13 ILE 52 HG13 ILE 52 1.115 1.933 1.414 408 HG21 ILE 52 HG21 ILE 52 3.344 2.914 4.343 409 HG22 ILE 52 HG22 ILE 52 4.359 1.845 3.340 410 HG23 ILE 52 HG23 ILE 52 4.627 3.564 3.284 411 HD11 ILE 52 HD11 ILE 52 3.452 0.192 2.321 412 HD12 ILE 52 HD12 ILE 52 1.898 -0.397 1.749 413 HD13 ILE 52 HD13 ILE 52 2.943 0.531 0.661 414 H GLN 53 HN GLN 53 2.606 5.853 4.165 415 HA GLN 53 HA GLN 53 4.636 7.555 2.803 416 HB2 GLN 53 HB2 GLN 53 2.541 8.062 4.959 417 HB3 GLN 53 HB3 GLN 53 4.004 9.029 4.865 418 HG2 GLN 53 HG2 GLN 53 2.284 10.224 3.743 419 HG3 GLN 53 HG3 GLN 53 3.495 9.712 2.579 420 HE21 GLN 53 HE21 GLN 53 2.978 7.911 1.126 421 HE22 GLN 53 HE22 GLN 53 1.307 7.535 0.801 422 H LEU 54 HN LEU 54 6.673 7.185 3.442 423 HA LEU 54 HA LEU 54 7.323 6.196 6.154 424 HB2 LEU 54 HB2 LEU 54 7.989 5.052 3.450 425 HB3 LEU 54 HB3 LEU 54 9.072 4.749 4.797 426 HG LEU 54 HG LEU 54 6.118 4.068 4.939 427 HD11 LEU 54 HD11 LEU 54 7.154 2.956 2.956 428 HD12 LEU 54 HD12 LEU 54 6.629 1.834 4.196 429 HD13 LEU 54 HD13 LEU 54 8.357 2.215 4.040 430 HD21 LEU 54 HD21 LEU 54 7.347 4.123 7.095 431 HD22 LEU 54 HD22 LEU 54 8.545 2.988 6.433 432 HD23 LEU 54 HD23 LEU 54 6.866 2.479 6.667 433 H SER 55 HN SER 55 9.933 6.225 6.157 434 HA SER 55 HA SER 55 10.829 8.949 5.738 435 HB2 SER 55 HB2 SER 55 11.644 7.446 7.566 436 HB3 SER 55 HB3 SER 55 12.315 6.376 6.322 437 HG SER 55 HG SER 55 14.002 7.548 6.838 438 H THR 56 HN THR 56 12.813 9.329 4.494 439 HA THR 56 HA THR 56 12.593 9.199 1.750 440 HB THR 56 HB THR 56 14.909 9.755 3.633 441 HG1 THR 56 HG1 THR 56 13.804 11.399 4.180 442 HG21 THR 56 HG21 THR 56 15.897 9.724 1.460 443 HG22 THR 56 HG22 THR 56 15.689 11.406 1.934 444 HG23 THR 56 HG23 THR 56 14.570 10.650 0.760 445 H ILE 57 HN ILE 57 14.296 6.917 3.809 446 HA ILE 57 HA ILE 57 15.522 5.602 1.449 447 HB ILE 57 HB ILE 57 16.190 5.462 4.411 448 HG12 ILE 57 HG12 ILE 57 16.469 7.807 3.682 449 HG13 ILE 57 HG13 ILE 57 17.928 7.035 4.157 450 HG21 ILE 57 HG21 ILE 57 18.413 4.662 3.627 451 HG22 ILE 57 HG22 ILE 57 17.075 3.576 3.228 452 HG23 ILE 57 HG23 ILE 57 17.778 4.600 1.966 453 HD11 ILE 57 HD11 ILE 57 17.064 7.422 1.244 454 HD12 ILE 57 HD12 ILE 57 18.163 8.486 2.132 455 HD13 ILE 57 HD13 ILE 57 18.641 6.814 1.801 456 H GLU 58 HN GLU 58 13.453 5.194 4.198 457 HA GLU 58 HA GLU 58 13.511 2.353 4.466 458 HB2 GLU 58 HB2 GLU 58 11.378 4.394 5.231 459 HB3 GLU 58 HB3 GLU 58 11.378 2.714 5.779 460 HG2 GLU 58 HG2 GLU 58 13.668 4.648 6.310 461 HG3 GLU 58 HG3 GLU 58 12.276 4.467 7.361 462 H ALA 59 HN ALA 59 11.243 4.562 2.755 463 HA ALA 59 HA ALA 59 9.448 2.438 2.013 464 HB1 ALA 59 HB1 ALA 59 8.196 4.094 1.116 465 HB2 ALA 59 HB2 ALA 59 9.370 5.199 1.844 466 HB3 ALA 59 HB3 ALA 59 9.533 4.721 0.142 467 H ALA 60 HN ALA 60 12.169 4.042 0.332 468 HA ALA 60 HA ALA 60 12.170 2.446 -1.991 469 HB1 ALA 60 HB1 ALA 60 14.549 3.693 -0.537 470 HB2 ALA 60 HB2 ALA 60 14.554 3.076 -2.205 471 HB3 ALA 60 HB3 ALA 60 13.536 4.465 -1.770 472 H GLN 61 HN GLN 61 14.263 1.887 0.938 473 HA GLN 61 HA GLN 61 15.365 -0.524 0.012 474 HB2 GLN 61 HB2 GLN 61 14.851 0.503 2.823 475 HB3 GLN 61 HB3 GLN 61 15.579 -1.078 2.528 476 HG2 GLN 61 HG2 GLN 61 17.376 0.009 1.177 477 HG3 GLN 61 HG3 GLN 61 16.743 1.590 1.642 478 HE21 GLN 61 HE21 GLN 61 16.233 1.517 4.279 479 HE22 GLN 61 HE22 GLN 61 17.631 1.050 5.206 480 H LEU 62 HN LEU 62 12.445 -0.130 2.105 481 HA LEU 62 HA LEU 62 12.032 -2.959 2.291 482 HB2 LEU 62 HB2 LEU 62 11.120 -0.849 3.697 483 HB3 LEU 62 HB3 LEU 62 9.752 -1.001 2.618 484 HG LEU 62 HG LEU 62 9.146 -2.126 4.348 485 HD11 LEU 62 HD11 LEU 62 8.868 -4.466 3.957 486 HD12 LEU 62 HD12 LEU 62 10.218 -4.481 2.819 487 HD13 LEU 62 HD13 LEU 62 8.748 -3.534 2.466 488 HD21 LEU 62 HD21 LEU 62 11.834 -3.589 4.604 489 HD22 LEU 62 HD22 LEU 62 10.478 -3.757 5.733 490 HD23 LEU 62 HD23 LEU 62 11.328 -2.215 5.600 491 H LEU 63 HN LEU 63 10.657 -0.438 0.092 492 HA LEU 63 HA LEU 63 8.769 -2.095 -1.152 493 HB2 LEU 63 HB2 LEU 63 8.883 0.274 -1.673 494 HB3 LEU 63 HB3 LEU 63 10.536 0.160 -2.232 495 HG LEU 63 HG LEU 63 8.885 0.492 -3.916 496 HD11 LEU 63 HD11 LEU 63 10.516 -1.808 -4.641 497 HD12 LEU 63 HD12 LEU 63 10.911 -0.055 -4.628 498 HD13 LEU 63 HD13 LEU 63 9.670 -0.681 -5.707 499 HD21 LEU 63 HD21 LEU 63 7.374 -1.155 -4.775 500 HD22 LEU 63 HD22 LEU 63 7.056 -0.853 -3.065 501 HD23 LEU 63 HD23 LEU 63 7.921 -2.320 -3.538 502 H GLN 64 HN GLN 64 12.277 -1.565 -1.780 503 HA GLN 64 HA GLN 64 12.253 -2.912 -4.159 504 HB2 GLN 64 HB2 GLN 64 14.550 -2.742 -2.102 505 HB3 GLN 64 HB3 GLN 64 14.791 -3.460 -3.689 506 HG2 GLN 64 HG2 GLN 64 13.977 -0.583 -3.264 507 HG3 GLN 64 HG3 GLN 64 15.615 -1.132 -3.446 508 HE21 GLN 64 HE21 GLN 64 12.625 -0.561 -4.977 509 HE22 GLN 64 HE22 GLN 64 13.090 -0.692 -6.656 510 H ILE 65 HN ILE 65 12.682 -4.116 -0.873 511 HA ILE 65 HA ILE 65 13.336 -6.800 -1.230 512 HB ILE 65 HB ILE 65 11.727 -5.530 0.959 513 HG12 ILE 65 HG12 ILE 65 14.639 -6.320 0.930 514 HG13 ILE 65 HG13 ILE 65 14.082 -4.694 0.605 515 HG21 ILE 65 HG21 ILE 65 11.188 -7.831 1.078 516 HG22 ILE 65 HG22 ILE 65 12.926 -8.277 1.013 517 HG23 ILE 65 HG23 ILE 65 12.256 -7.427 2.407 518 HD11 ILE 65 HD11 ILE 65 14.708 -4.662 2.867 519 HD12 ILE 65 HD12 ILE 65 12.951 -4.804 2.933 520 HD13 ILE 65 HD13 ILE 65 13.971 -6.228 3.220 521 H LEU 66 HN LEU 66 9.924 -5.655 -0.810 522 HA LEU 66 HA LEU 66 8.759 -8.119 -1.540 523 HB2 LEU 66 HB2 LEU 66 7.607 -5.316 -1.935 524 HB3 LEU 66 HB3 LEU 66 6.715 -6.810 -2.065 525 HG LEU 66 HG LEU 66 6.102 -5.965 -0.017 526 HD11 LEU 66 HD11 LEU 66 8.307 -7.895 0.781 527 HD12 LEU 66 HD12 LEU 66 6.751 -8.396 0.095 528 HD13 LEU 66 HD13 LEU 66 6.776 -7.535 1.644 529 HD21 LEU 66 HD21 LEU 66 8.925 -5.591 0.916 530 HD22 LEU 66 HD22 LEU 66 7.394 -5.090 1.674 531 HD23 LEU 66 HD23 LEU 66 7.939 -4.313 0.169 532 H GLN 67 HN GLN 67 10.221 -5.781 -3.661 533 HA GLN 67 HA GLN 67 8.761 -6.791 -6.043 534 HB2 GLN 67 HB2 GLN 67 10.725 -4.576 -5.656 535 HB3 GLN 67 HB3 GLN 67 9.922 -4.944 -7.196 536 HG2 GLN 67 HG2 GLN 67 8.317 -4.256 -4.658 537 HG3 GLN 67 HG3 GLN 67 9.046 -3.091 -5.676 538 HE21 GLN 67 HE21 GLN 67 7.477 -2.160 -6.852 539 HE22 GLN 67 HE22 GLN 67 5.945 -2.935 -7.154 540 H ALA 68 HN ALA 68 11.690 -7.377 -4.348 541 HA ALA 68 HA ALA 68 12.768 -8.797 -6.701 542 HB1 ALA 68 HB1 ALA 68 14.990 -8.474 -5.692 543 HB2 ALA 68 HB2 ALA 68 14.168 -6.911 -5.894 544 HB3 ALA 68 HB3 ALA 68 14.252 -7.671 -4.286 545 H LEU 69 HN LEU 69 10.821 -9.568 -4.329 546 HA LEU 69 HA LEU 69 11.928 -12.254 -4.271 547 HB2 LEU 69 HB2 LEU 69 11.313 -12.703 -1.985 548 HB3 LEU 69 HB3 LEU 69 12.444 -11.366 -2.036 549 HG LEU 69 HG LEU 69 10.087 -9.964 -2.051 550 HD11 LEU 69 HD11 LEU 69 8.613 -11.967 -1.804 551 HD12 LEU 69 HD12 LEU 69 8.533 -10.823 -0.449 552 HD13 LEU 69 HD13 LEU 69 9.458 -12.342 -0.285 553 HD21 LEU 69 HD21 LEU 69 11.934 -9.609 -0.565 554 HD22 LEU 69 HD22 LEU 69 11.491 -11.027 0.383 555 HD23 LEU 69 HD23 LEU 69 10.387 -9.635 0.319 556 H HIS 70 HN HIS 70 10.430 -13.677 -4.700 557 HA HIS 70 HA HIS 70 8.535 -14.604 -5.463 558 HB2 HIS 70 HB2 HIS 70 8.613 -13.962 -2.625 559 HB3 HIS 70 HB3 HIS 70 6.961 -14.209 -3.138 560 HD1 HIS 70 HD1 HIS 70 6.919 -16.616 -1.797 561 HD2 HIS 70 HD2 HIS 70 9.939 -16.195 -4.716 562 HE1 HIS 70 HE1 HIS 70 7.845 -18.913 -2.206 563 HA PRO 71 HA PRO 71 5.335 -12.402 -7.275 564 HB2 PRO 71 HB2 PRO 71 3.017 -13.828 -7.037 565 HB3 PRO 71 HB3 PRO 71 4.389 -14.323 -8.065 566 HG2 PRO 71 HG2 PRO 71 3.645 -15.368 -5.347 567 HG3 PRO 71 HG3 PRO 71 4.337 -16.269 -6.740 568 HD2 PRO 71 HD2 PRO 71 5.721 -15.285 -4.520 569 HD3 PRO 71 HD3 PRO 71 6.522 -15.741 -6.021 570 HA PRO 72 HA PRO 72 3.387 -9.908 -4.206 571 HB2 PRO 72 HB2 PRO 72 1.188 -8.876 -5.571 572 HB3 PRO 72 HB3 PRO 72 2.861 -8.273 -5.712 573 HG2 PRO 72 HG2 PRO 72 1.404 -10.214 -7.506 574 HG3 PRO 72 HG3 PRO 72 2.450 -8.839 -7.975 575 HD2 PRO 72 HD2 PRO 72 3.364 -11.384 -7.964 576 HD3 PRO 72 HD3 PRO 72 4.409 -10.055 -7.427 577 H LEU 73 HN LEU 73 1.650 -9.814 -2.740 578 HA LEU 73 HA LEU 73 0.399 -12.449 -2.451 579 HB2 LEU 73 HB2 LEU 73 2.054 -11.100 -0.847 580 HB3 LEU 73 HB3 LEU 73 0.608 -10.288 -0.339 581 HG LEU 73 HG LEU 73 1.480 -12.091 1.123 582 HD11 LEU 73 HD11 LEU 73 -1.007 -11.401 1.037 583 HD12 LEU 73 HD12 LEU 73 -0.526 -12.850 1.916 584 HD13 LEU 73 HD13 LEU 73 -1.241 -13.033 0.319 585 HD21 LEU 73 HD21 LEU 73 1.115 -14.448 0.625 586 HD22 LEU 73 HD22 LEU 73 2.192 -13.727 -0.577 587 HD23 LEU 73 HD23 LEU 73 0.487 -14.052 -0.983 588 H THR 74 HN THR 74 -1.740 -12.195 -1.073 589 HA THR 74 HA THR 74 -3.419 -9.968 -1.942 590 HB THR 74 HB THR 74 -3.643 -11.429 -3.832 591 HG1 THR 74 HG1 THR 74 -5.414 -10.507 -3.390 592 HG21 THR 74 HG21 THR 74 -4.591 -13.663 -3.711 593 HG22 THR 74 HG22 THR 74 -4.361 -13.669 -1.941 594 HG23 THR 74 HG23 THR 74 -2.964 -13.593 -3.058 595 H ILE 75 HN ILE 75 -5.441 -9.960 -0.723 596 HA ILE 75 HA ILE 75 -5.594 -11.819 1.568 597 HB ILE 75 HB ILE 75 -6.279 -8.919 2.051 598 HG12 ILE 75 HG12 ILE 75 -3.988 -8.665 3.093 599 HG13 ILE 75 HG13 ILE 75 -3.404 -9.940 2.035 600 HG21 ILE 75 HG21 ILE 75 -5.624 -9.572 4.352 601 HG22 ILE 75 HG22 ILE 75 -6.836 -10.664 3.694 602 HG23 ILE 75 HG23 ILE 75 -5.149 -11.187 3.745 603 HD11 ILE 75 HD11 ILE 75 -2.897 -7.607 1.384 604 HD12 ILE 75 HD12 ILE 75 -3.862 -8.388 0.119 605 HD13 ILE 75 HD13 ILE 75 -4.623 -7.241 1.253 606 H ASP 76 HN ASP 76 -7.017 -11.408 -1.097 607 HA ASP 76 HA ASP 76 -9.614 -12.016 -0.246 608 HB2 ASP 76 HB2 ASP 76 -9.455 -9.359 0.098 609 HB3 ASP 76 HB3 ASP 76 -9.853 -9.354 -1.595 610 H GLY 77 HN GLY 77 -7.669 -13.003 -2.093 611 HA2 GLY 77 HA1 GLY 77 -7.265 -13.727 -4.192 612 HA3 GLY 77 HA2 GLY 77 -8.998 -13.580 -4.463 613 H LYS 78 HN LYS 78 -7.583 -10.551 -3.699 614 HA LYS 78 HA LYS 78 -7.270 -9.774 -6.561 615 HB2 LYS 78 HB2 LYS 78 -7.161 -7.437 -5.377 616 HB3 LYS 78 HB3 LYS 78 -8.658 -8.183 -5.872 617 HG2 LYS 78 HG2 LYS 78 -8.925 -7.141 -3.766 618 HG3 LYS 78 HG3 LYS 78 -9.166 -8.859 -3.596 619 HD2 LYS 78 HD2 LYS 78 -7.186 -9.107 -2.295 620 HD3 LYS 78 HD3 LYS 78 -6.518 -7.573 -2.904 621 HE2 LYS 78 HE2 LYS 78 -8.010 -6.244 -1.647 622 HE3 LYS 78 HE3 LYS 78 -9.065 -7.598 -1.285 623 HZ1 LYS 78 HZ1 LYS 78 -6.378 -7.313 -0.132 624 HZ2 LYS 78 HZ2 LYS 78 -7.580 -8.408 0.285 625 HZ3 LYS 78 HZ3 LYS 78 -7.785 -6.813 0.540 626 H THR 79 HN THR 79 -5.096 -10.192 -7.170 627 HA THR 79 HA THR 79 -3.030 -10.152 -5.215 628 HB THR 79 HB THR 79 -2.358 -9.750 -8.099 629 HG1 THR 79 HG1 THR 79 -3.165 -11.546 -8.783 630 HG21 THR 79 HG21 THR 79 -1.519 -11.832 -6.004 631 HG22 THR 79 HG22 THR 79 -0.645 -10.325 -6.382 632 HG23 THR 79 HG23 THR 79 -0.768 -11.598 -7.598 633 H ILE 80 HN ILE 80 -2.149 -8.407 -4.223 634 HA ILE 80 HA ILE 80 -3.043 -5.774 -5.113 635 HB ILE 80 HB ILE 80 -1.159 -6.478 -2.870 636 HG12 ILE 80 HG12 ILE 80 -3.387 -7.540 -2.436 637 HG13 ILE 80 HG13 ILE 80 -2.960 -6.292 -1.271 638 HG21 ILE 80 HG21 ILE 80 -0.848 -4.217 -3.270 639 HG22 ILE 80 HG22 ILE 80 -2.554 -3.934 -3.672 640 HG23 ILE 80 HG23 ILE 80 -2.066 -4.217 -1.987 641 HD11 ILE 80 HD11 ILE 80 -4.454 -4.664 -2.522 642 HD12 ILE 80 HD12 ILE 80 -4.921 -6.011 -3.582 643 HD13 ILE 80 HD13 ILE 80 -5.293 -6.042 -1.838 644 H ASN 81 HN ASN 81 -1.914 -4.487 -6.264 645 HA ASN 81 HA ASN 81 0.786 -5.202 -7.334 646 HB2 ASN 81 HB2 ASN 81 -1.449 -3.520 -8.286 647 HB3 ASN 81 HB3 ASN 81 0.059 -2.657 -8.312 648 HD21 ASN 81 HD21 ASN 81 -1.563 -5.600 -9.617 649 HD22 ASN 81 HD22 ASN 81 -0.342 -5.864 -10.814 650 H VAL 82 HN VAL 82 2.514 -3.526 -7.196 651 HA VAL 82 HA VAL 82 2.269 -1.683 -4.907 652 HB VAL 82 HB VAL 82 4.588 -3.633 -5.179 653 HG11 VAL 82 HG11 VAL 82 4.946 -1.518 -3.911 654 HG12 VAL 82 HG12 VAL 82 3.602 -1.941 -2.835 655 HG13 VAL 82 HG13 VAL 82 5.065 -2.945 -2.870 656 HG21 VAL 82 HG21 VAL 82 2.159 -3.983 -3.370 657 HG22 VAL 82 HG22 VAL 82 2.679 -5.073 -4.681 658 HG23 VAL 82 HG23 VAL 82 3.682 -4.888 -3.248 659 H GLU 83 HN GLU 83 3.399 0.175 -5.317 660 HA GLU 83 HA GLU 83 5.069 0.423 -7.767 661 HB2 GLU 83 HB2 GLU 83 2.517 1.731 -6.911 662 HB3 GLU 83 HB3 GLU 83 3.704 2.808 -7.611 663 HG2 GLU 83 HG2 GLU 83 2.977 0.261 -9.080 664 HG3 GLU 83 HG3 GLU 83 1.897 1.659 -9.068 665 H PHE 84 HN PHE 84 6.140 2.579 -7.726 666 HA PHE 84 HA PHE 84 7.148 3.264 -4.976 667 HB2 PHE 84 HB2 PHE 84 8.525 1.464 -5.889 668 HB3 PHE 84 HB3 PHE 84 8.745 2.336 -7.386 669 HD1 PHE 84 HD1 PHE 84 9.102 3.623 -3.815 670 HD2 PHE 84 HD2 PHE 84 11.082 2.597 -7.524 671 HE1 PHE 84 HE1 PHE 84 11.154 4.736 -3.035 672 HE2 PHE 84 HE2 PHE 84 13.137 3.736 -6.732 673 HZ PHE 84 HZ PHE 84 13.166 4.836 -4.492 674 H ALA 85 HN ALA 85 6.009 5.306 -5.204 675 HA ALA 85 HA ALA 85 6.937 7.122 -7.382 676 HB1 ALA 85 HB1 ALA 85 5.311 8.722 -6.421 677 HB2 ALA 85 HB2 ALA 85 4.600 7.238 -7.059 678 HB3 ALA 85 HB3 ALA 85 4.783 7.458 -5.290 679 H LYS 86 HN LYS 86 9.062 7.194 -6.756 680 HA LYS 86 HA LYS 86 9.853 8.287 -4.167 681 HB2 LYS 86 HB2 LYS 86 11.284 6.780 -5.457 682 HB3 LYS 86 HB3 LYS 86 11.321 7.912 -6.830 683 HG2 LYS 86 HG2 LYS 86 13.399 7.946 -5.473 684 HG3 LYS 86 HG3 LYS 86 12.635 9.526 -5.586 685 HD2 LYS 86 HD2 LYS 86 11.970 9.534 -3.389 686 HD3 LYS 86 HD3 LYS 86 11.876 7.796 -3.271 687 HE2 LYS 86 HE2 LYS 86 14.621 8.909 -3.628 688 HE3 LYS 86 HE3 LYS 86 13.796 9.359 -2.132 689 HZ1 LYS 86 HZ1 LYS 86 14.412 6.631 -3.013 690 HZ2 LYS 86 HZ2 LYS 86 13.351 6.977 -1.780 691 HZ3 LYS 86 HZ3 LYS 86 14.927 7.408 -1.655 692 H GLY 87 HN GLY 87 10.319 10.472 -3.786 693 HA2 GLY 87 HA1 GLY 87 9.102 12.522 -5.443 694 HA3 GLY 87 HA2 GLY 87 10.131 12.777 -4.026 695 H SER 88 HN SER 88 9.992 12.603 -7.462 696 HA SER 88 HA SER 88 12.618 13.624 -7.871 697 HB2 SER 88 HB2 SER 88 13.030 11.150 -7.624 698 HB3 SER 88 HB3 SER 88 11.848 10.831 -8.893 699 HG SER 88 HG SER 88 13.187 11.509 -10.366 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 8.462 12.641 -7.580 2 HA2 GLY 1 HA1 GLY 1 5.693 11.689 -7.129 3 HA3 GLY 1 HA2 GLY 1 7.146 10.934 -6.432 4 H HIS 2 HN HIS 2 7.031 11.392 -4.213 5 HA HIS 2 HA HIS 2 6.831 14.296 -3.553 6 HB2 HIS 2 HB2 HIS 2 4.779 12.573 -3.032 7 HB3 HIS 2 HB3 HIS 2 5.670 12.485 -1.514 8 HD1 HIS 2 HD1 HIS 2 6.384 15.200 -0.644 9 HD2 HIS 2 HD2 HIS 2 3.198 14.575 -3.319 10 HE1 HIS 2 HE1 HIS 2 4.986 17.327 -0.609 11 H MET 3 HN MET 3 7.482 11.366 -1.562 12 HA MET 3 HA MET 3 10.337 11.760 -1.464 13 HB2 MET 3 HB2 MET 3 9.652 13.591 0.093 14 HB3 MET 3 HB3 MET 3 8.630 12.477 0.990 15 HG2 MET 3 HG2 MET 3 10.335 11.683 2.195 16 HG3 MET 3 HG3 MET 3 11.409 11.525 0.810 17 HE1 MET 3 HE1 MET 3 12.316 13.907 -0.404 18 HE2 MET 3 HE2 MET 3 13.502 14.640 0.689 19 HE3 MET 3 HE3 MET 3 13.451 12.868 0.488 20 H ASP 4 HN ASP 4 10.546 9.731 -1.854 21 HA ASP 4 HA ASP 4 10.031 7.551 -2.334 22 HB2 ASP 4 HB2 ASP 4 11.216 7.705 0.428 23 HB3 ASP 4 HB3 ASP 4 11.371 6.444 -0.798 24 H THR 5 HN THR 5 7.949 7.134 -2.606 25 HA THR 5 HA THR 5 6.286 6.497 -0.253 26 HB THR 5 HB THR 5 5.455 8.069 -2.705 27 HG1 THR 5 HG1 THR 5 6.718 8.901 -0.596 28 HG21 THR 5 HG21 THR 5 3.324 8.454 -1.617 29 HG22 THR 5 HG22 THR 5 3.808 7.495 -0.208 30 HG23 THR 5 HG23 THR 5 3.584 6.724 -1.788 31 H ILE 6 HN ILE 6 5.407 4.459 -0.463 32 HA ILE 6 HA ILE 6 5.526 3.170 -3.122 33 HB ILE 6 HB ILE 6 5.206 1.827 -0.428 34 HG12 ILE 6 HG12 ILE 6 7.586 2.102 -2.303 35 HG13 ILE 6 HG13 ILE 6 7.408 2.714 -0.658 36 HG21 ILE 6 HG21 ILE 6 5.355 -0.287 -1.594 37 HG22 ILE 6 HG22 ILE 6 4.048 0.633 -2.334 38 HG23 ILE 6 HG23 ILE 6 5.626 0.537 -3.143 39 HD11 ILE 6 HD11 ILE 6 8.821 0.814 -0.535 40 HD12 ILE 6 HD12 ILE 6 7.267 0.322 0.164 41 HD13 ILE 6 HD13 ILE 6 7.720 -0.183 -1.491 42 H ILE 7 HN ILE 7 3.674 3.010 -4.192 43 HA ILE 7 HA ILE 7 1.097 3.451 -2.763 44 HB ILE 7 HB ILE 7 1.675 3.787 -5.726 45 HG12 ILE 7 HG12 ILE 7 0.927 6.246 -4.861 46 HG13 ILE 7 HG13 ILE 7 1.710 5.664 -3.395 47 HG21 ILE 7 HG21 ILE 7 -0.645 3.112 -5.372 48 HG22 ILE 7 HG22 ILE 7 -0.847 4.359 -4.122 49 HG23 ILE 7 HG23 ILE 7 -0.570 4.811 -5.813 50 HD11 ILE 7 HD11 ILE 7 3.773 5.175 -4.835 51 HD12 ILE 7 HD12 ILE 7 2.902 5.926 -6.177 52 HD13 ILE 7 HD13 ILE 7 3.290 6.869 -4.715 53 H LEU 8 HN LEU 8 -0.483 1.970 -2.902 54 HA LEU 8 HA LEU 8 0.171 -0.703 -4.085 55 HB2 LEU 8 HB2 LEU 8 -1.821 0.008 -1.893 56 HB3 LEU 8 HB3 LEU 8 -1.585 -1.593 -2.598 57 HG LEU 8 HG LEU 8 0.398 -0.059 -0.879 58 HD11 LEU 8 HD11 LEU 8 -0.074 -1.918 0.697 59 HD12 LEU 8 HD12 LEU 8 -1.230 -2.606 -0.473 60 HD13 LEU 8 HD13 LEU 8 -1.554 -1.043 0.282 61 HD21 LEU 8 HD21 LEU 8 1.706 -1.317 -2.509 62 HD22 LEU 8 HD22 LEU 8 0.750 -2.777 -2.213 63 HD23 LEU 8 HD23 LEU 8 1.789 -2.116 -0.940 64 H ARG 9 HN ARG 9 -1.729 -1.796 -5.023 65 HA ARG 9 HA ARG 9 -3.866 -0.055 -6.136 66 HB2 ARG 9 HB2 ARG 9 -2.418 -1.981 -7.888 67 HB3 ARG 9 HB3 ARG 9 -3.307 -0.673 -8.412 68 HG2 ARG 9 HG2 ARG 9 -1.451 0.876 -7.553 69 HG3 ARG 9 HG3 ARG 9 -0.519 -0.577 -7.185 70 HD2 ARG 9 HD2 ARG 9 0.337 -0.044 -9.222 71 HD3 ARG 9 HD3 ARG 9 -0.897 -1.229 -9.681 72 HE ARG 9 HE ARG 9 -2.199 1.195 -9.841 73 HH11 ARG 9 HH11 ARG 9 0.668 -0.248 -11.373 74 HH12 ARG 9 HH12 ARG 9 0.684 0.902 -12.688 75 HH21 ARG 9 HH21 ARG 9 -2.299 2.521 -11.659 76 HH22 ARG 9 HH22 ARG 9 -1.131 2.366 -12.933 77 H ASN 10 HN ASN 10 -5.389 -1.557 -7.430 78 HA ASN 10 HA ASN 10 -6.898 -3.184 -7.377 79 HB2 ASN 10 HB2 ASN 10 -5.041 -4.284 -8.574 80 HB3 ASN 10 HB3 ASN 10 -4.513 -5.014 -7.050 81 HD21 ASN 10 HD21 ASN 10 -4.822 -7.087 -7.868 82 HD22 ASN 10 HD22 ASN 10 -6.350 -7.782 -8.335 83 H LEU 11 HN LEU 11 -6.798 -1.894 -5.030 84 HA LEU 11 HA LEU 11 -7.017 -3.921 -2.880 85 HB2 LEU 11 HB2 LEU 11 -7.510 -0.926 -2.749 86 HB3 LEU 11 HB3 LEU 11 -7.414 -2.044 -1.402 87 HG LEU 11 HG LEU 11 -5.100 -1.377 -3.292 88 HD11 LEU 11 HD11 LEU 11 -5.841 0.547 -1.892 89 HD12 LEU 11 HD12 LEU 11 -4.180 0.012 -1.603 90 HD13 LEU 11 HD13 LEU 11 -5.450 -0.398 -0.441 91 HD21 LEU 11 HD21 LEU 11 -3.649 -2.584 -1.868 92 HD22 LEU 11 HD22 LEU 11 -5.067 -3.632 -2.017 93 HD23 LEU 11 HD23 LEU 11 -4.839 -2.683 -0.568 94 H ASN 12 HN ASN 12 -8.973 -4.880 -2.615 95 HA ASN 12 HA ASN 12 -11.138 -4.305 -4.455 96 HB2 ASN 12 HB2 ASN 12 -10.402 -6.430 -2.509 97 HB3 ASN 12 HB3 ASN 12 -12.055 -5.990 -2.351 98 HD21 ASN 12 HD21 ASN 12 -12.527 -8.254 -3.071 99 HD22 ASN 12 HD22 ASN 12 -12.632 -8.461 -4.788 100 HA PRO 13 HA PRO 13 -13.292 -1.374 -1.956 101 HB2 PRO 13 HB2 PRO 13 -15.933 -2.086 -2.435 102 HB3 PRO 13 HB3 PRO 13 -14.885 -1.296 -3.660 103 HG2 PRO 13 HG2 PRO 13 -15.485 -4.244 -3.296 104 HG3 PRO 13 HG3 PRO 13 -15.591 -3.284 -4.806 105 HD2 PRO 13 HD2 PRO 13 -13.426 -4.742 -4.305 106 HD3 PRO 13 HD3 PRO 13 -13.250 -3.094 -4.975 107 H HIS 14 HN HIS 14 -14.155 -4.803 -1.578 108 HA HIS 14 HA HIS 14 -15.267 -4.622 1.045 109 HB2 HIS 14 HB2 HIS 14 -14.313 -6.848 -0.763 110 HB3 HIS 14 HB3 HIS 14 -14.745 -7.181 0.909 111 HD1 HIS 14 HD1 HIS 14 -17.273 -6.441 1.671 112 HD2 HIS 14 HD2 HIS 14 -16.390 -6.273 -2.436 113 HE1 HIS 14 HE1 HIS 14 -19.505 -6.238 0.453 114 H SER 15 HN SER 15 -11.967 -4.186 0.121 115 HA SER 15 HA SER 15 -10.941 -5.238 2.671 116 HB2 SER 15 HB2 SER 15 -9.626 -3.676 0.392 117 HB3 SER 15 HB3 SER 15 -8.809 -4.262 1.845 118 HG SER 15 HG SER 15 -9.941 -6.379 1.063 119 H THR 16 HN THR 16 -9.899 -3.844 4.080 120 HA THR 16 HA THR 16 -10.477 -1.011 4.153 121 HB THR 16 HB THR 16 -12.095 -2.003 5.670 122 HG1 THR 16 HG1 THR 16 -11.589 -0.213 6.423 123 HG21 THR 16 HG21 THR 16 -11.168 -4.082 6.392 124 HG22 THR 16 HG22 THR 16 -11.331 -3.050 7.804 125 HG23 THR 16 HG23 THR 16 -9.729 -3.294 7.077 126 H MET 17 HN MET 17 -8.699 -0.135 5.717 127 HA MET 17 HA MET 17 -6.072 -0.716 4.963 128 HB2 MET 17 HB2 MET 17 -6.885 1.367 6.094 129 HB3 MET 17 HB3 MET 17 -7.265 0.437 7.533 130 HG2 MET 17 HG2 MET 17 -4.831 -0.223 7.728 131 HG3 MET 17 HG3 MET 17 -4.505 0.786 6.313 132 HE1 MET 17 HE1 MET 17 -5.698 2.192 10.551 133 HE2 MET 17 HE2 MET 17 -6.772 1.188 9.575 134 HE3 MET 17 HE3 MET 17 -5.202 0.552 10.100 135 H ASP 18 HN ASP 18 -8.027 -1.643 7.838 136 HA ASP 18 HA ASP 18 -6.010 -3.161 8.982 137 HB2 ASP 18 HB2 ASP 18 -8.043 -2.169 10.055 138 HB3 ASP 18 HB3 ASP 18 -9.010 -3.467 9.339 139 H SER 19 HN SER 19 -7.888 -4.111 6.266 140 HA SER 19 HA SER 19 -7.435 -7.003 6.641 141 HB2 SER 19 HB2 SER 19 -7.961 -5.735 3.947 142 HB3 SER 19 HB3 SER 19 -8.453 -7.309 4.561 143 HG SER 19 HG SER 19 -10.005 -6.250 5.838 144 H ILE 20 HN ILE 20 -6.174 -4.321 4.645 145 HA ILE 20 HA ILE 20 -4.225 -6.007 3.311 146 HB ILE 20 HB ILE 20 -4.509 -2.986 3.349 147 HG12 ILE 20 HG12 ILE 20 -5.399 -4.524 0.938 148 HG13 ILE 20 HG13 ILE 20 -6.445 -4.694 2.328 149 HG21 ILE 20 HG21 ILE 20 -2.291 -3.675 2.528 150 HG22 ILE 20 HG22 ILE 20 -3.035 -4.797 1.377 151 HG23 ILE 20 HG23 ILE 20 -3.255 -3.042 1.203 152 HD11 ILE 20 HD11 ILE 20 -5.549 -1.974 1.315 153 HD12 ILE 20 HD12 ILE 20 -7.070 -2.790 0.846 154 HD13 ILE 20 HD13 ILE 20 -6.766 -2.315 2.522 155 H LEU 21 HN LEU 21 -4.086 -3.309 5.675 156 HA LEU 21 HA LEU 21 -1.258 -3.443 6.097 157 HB2 LEU 21 HB2 LEU 21 -2.929 -1.583 6.624 158 HB3 LEU 21 HB3 LEU 21 -3.465 -2.512 8.011 159 HG LEU 21 HG LEU 21 -1.327 -2.268 9.113 160 HD11 LEU 21 HD11 LEU 21 0.307 -2.365 7.355 161 HD12 LEU 21 HD12 LEU 21 0.425 -0.766 8.079 162 HD13 LEU 21 HD13 LEU 21 -0.414 -0.955 6.533 163 HD21 LEU 21 HD21 LEU 21 -1.299 0.145 9.445 164 HD22 LEU 21 HD22 LEU 21 -2.958 -0.428 9.332 165 HD23 LEU 21 HD23 LEU 21 -2.195 0.405 7.940 166 H GLY 22 HN GLY 22 -3.824 -5.426 7.265 167 HA2 GLY 22 HA1 GLY 22 -2.134 -6.622 9.402 168 HA3 GLY 22 HA2 GLY 22 -3.865 -6.896 9.146 169 H ALA 23 HN ALA 23 -2.119 -7.158 6.172 170 HA ALA 23 HA ALA 23 -1.435 -10.035 6.620 171 HB1 ALA 23 HB1 ALA 23 -3.783 -10.051 5.919 172 HB2 ALA 23 HB2 ALA 23 -3.388 -9.031 4.527 173 HB3 ALA 23 HB3 ALA 23 -2.757 -10.687 4.618 174 H LEU 24 HN LEU 24 -1.264 -7.155 4.495 175 HA LEU 24 HA LEU 24 0.715 -8.345 2.705 176 HB2 LEU 24 HB2 LEU 24 -1.145 -6.531 2.199 177 HB3 LEU 24 HB3 LEU 24 0.003 -5.418 2.945 178 HG LEU 24 HG LEU 24 1.735 -6.350 1.202 179 HD11 LEU 24 HD11 LEU 24 0.417 -8.322 0.482 180 HD12 LEU 24 HD12 LEU 24 0.751 -7.225 -0.863 181 HD13 LEU 24 HD13 LEU 24 -0.859 -7.258 -0.110 182 HD21 LEU 24 HD21 LEU 24 0.801 -4.109 1.075 183 HD22 LEU 24 HD22 LEU 24 -0.676 -4.738 0.305 184 HD23 LEU 24 HD23 LEU 24 0.893 -4.817 -0.536 185 H ALA 25 HN ALA 25 1.146 -8.038 5.731 186 HA ALA 25 HA ALA 25 3.650 -6.423 5.703 187 HB1 ALA 25 HB1 ALA 25 3.213 -5.984 8.036 188 HB2 ALA 25 HB2 ALA 25 1.916 -5.349 7.012 189 HB3 ALA 25 HB3 ALA 25 1.660 -6.843 7.950 190 HA PRO 26 HA PRO 26 4.762 -10.755 6.993 191 HB2 PRO 26 HB2 PRO 26 6.231 -11.624 4.848 192 HB3 PRO 26 HB3 PRO 26 4.457 -11.841 4.981 193 HG2 PRO 26 HG2 PRO 26 5.909 -9.651 3.480 194 HG3 PRO 26 HG3 PRO 26 4.580 -10.704 2.896 195 HD2 PRO 26 HD2 PRO 26 4.174 -8.190 3.905 196 HD3 PRO 26 HD3 PRO 26 3.003 -9.522 4.164 197 H TYR 27 HN TYR 27 6.502 -8.194 5.188 198 HA TYR 27 HA TYR 27 8.904 -8.639 6.904 199 HB2 TYR 27 HB2 TYR 27 8.983 -7.552 4.094 200 HB3 TYR 27 HB3 TYR 27 10.304 -8.155 5.073 201 HD1 TYR 27 HD1 TYR 27 9.963 -10.758 5.878 202 HD2 TYR 27 HD2 TYR 27 8.089 -8.934 2.462 203 HE1 TYR 27 HE1 TYR 27 9.535 -12.992 4.934 204 HE2 TYR 27 HE2 TYR 27 7.528 -11.141 1.569 205 HH TYR 27 HH TYR 27 8.607 -14.198 3.161 206 H ALA 28 HN ALA 28 6.617 -6.223 5.750 207 HA ALA 28 HA ALA 28 7.866 -4.358 7.644 208 HB1 ALA 28 HB1 ALA 28 7.128 -2.476 6.035 209 HB2 ALA 28 HB2 ALA 28 8.671 -3.305 5.697 210 HB3 ALA 28 HB3 ALA 28 7.243 -3.688 4.734 211 H VAL 29 HN VAL 29 6.434 -4.346 9.149 212 HA VAL 29 HA VAL 29 3.556 -3.893 8.623 213 HB VAL 29 HB VAL 29 4.983 -3.776 11.292 214 HG11 VAL 29 HG11 VAL 29 2.719 -2.807 11.212 215 HG12 VAL 29 HG12 VAL 29 2.077 -4.306 10.544 216 HG13 VAL 29 HG13 VAL 29 2.731 -4.262 12.213 217 HG21 VAL 29 HG21 VAL 29 5.475 -6.005 10.606 218 HG22 VAL 29 HG22 VAL 29 4.229 -6.046 11.837 219 HG23 VAL 29 HG23 VAL 29 3.798 -6.306 10.125 220 H LEU 30 HN LEU 30 3.002 -1.835 8.194 221 HA LEU 30 HA LEU 30 4.632 0.453 9.166 222 HB2 LEU 30 HB2 LEU 30 2.116 0.474 7.461 223 HB3 LEU 30 HB3 LEU 30 3.199 1.803 7.787 224 HG LEU 30 HG LEU 30 3.472 1.229 5.605 225 HD11 LEU 30 HD11 LEU 30 5.852 0.667 5.396 226 HD12 LEU 30 HD12 LEU 30 5.857 0.007 7.036 227 HD13 LEU 30 HD13 LEU 30 5.571 1.740 6.787 228 HD21 LEU 30 HD21 LEU 30 2.519 -1.066 5.655 229 HD22 LEU 30 HD22 LEU 30 4.136 -1.668 6.104 230 HD23 LEU 30 HD23 LEU 30 3.904 -0.818 4.574 231 H SER 31 HN SER 31 3.359 2.209 10.196 232 HA SER 31 HA SER 31 1.117 1.317 11.880 233 HB2 SER 31 HB2 SER 31 2.962 2.926 12.637 234 HB3 SER 31 HB3 SER 31 2.260 4.122 11.528 235 HG SER 31 HG SER 31 1.339 3.124 13.950 236 H SER 32 HN SER 32 -0.913 2.476 11.820 237 HA SER 32 HA SER 32 -2.213 2.678 9.353 238 HB2 SER 32 HB2 SER 32 -3.611 2.370 11.172 239 HB3 SER 32 HB3 SER 32 -2.708 3.488 12.193 240 HG SER 32 HG SER 32 -3.748 5.077 11.650 241 H SER 33 HN SER 33 -0.621 5.347 11.246 242 HA SER 33 HA SER 33 -1.706 7.422 9.645 243 HB2 SER 33 HB2 SER 33 -0.398 7.529 11.894 244 HB3 SER 33 HB3 SER 33 1.053 7.651 10.887 245 HG SER 33 HG SER 33 0.234 9.559 9.997 246 H ASN 34 HN ASN 34 1.091 5.340 9.208 247 HA ASN 34 HA ASN 34 2.380 6.743 7.082 248 HB2 ASN 34 HB2 ASN 34 2.604 3.936 8.196 249 HB3 ASN 34 HB3 ASN 34 3.606 4.548 6.892 250 HD21 ASN 34 HD21 ASN 34 5.509 5.308 7.560 251 HD22 ASN 34 HD22 ASN 34 5.815 5.953 9.204 252 H VAL 35 HN VAL 35 -0.515 4.784 7.176 253 HA VAL 35 HA VAL 35 -0.254 4.103 4.312 254 HB VAL 35 HB VAL 35 -1.492 2.395 6.465 255 HG11 VAL 35 HG11 VAL 35 -1.629 0.722 4.616 256 HG12 VAL 35 HG12 VAL 35 -2.632 2.140 4.276 257 HG13 VAL 35 HG13 VAL 35 -1.068 1.959 3.468 258 HG21 VAL 35 HG21 VAL 35 1.123 2.271 4.880 259 HG22 VAL 35 HG22 VAL 35 0.925 2.340 6.637 260 HG23 VAL 35 HG23 VAL 35 0.456 0.890 5.758 261 H ARG 36 HN ARG 36 -1.272 5.844 3.535 262 HA ARG 36 HA ARG 36 -3.857 6.703 4.616 263 HB2 ARG 36 HB2 ARG 36 -1.840 7.989 3.103 264 HB3 ARG 36 HB3 ARG 36 -3.181 7.904 1.991 265 HG2 ARG 36 HG2 ARG 36 -3.344 8.979 4.826 266 HG3 ARG 36 HG3 ARG 36 -3.187 9.980 3.389 267 HD2 ARG 36 HD2 ARG 36 -5.376 9.719 2.746 268 HD3 ARG 36 HD3 ARG 36 -5.529 8.095 3.425 269 HE ARG 36 HE ARG 36 -5.104 10.258 5.354 270 HH11 ARG 36 HH11 ARG 36 -7.799 8.756 3.581 271 HH12 ARG 36 HH12 ARG 36 -8.844 8.708 4.966 272 HH21 ARG 36 HH21 ARG 36 -6.633 10.459 7.061 273 HH22 ARG 36 HH22 ARG 36 -8.267 9.987 6.823 274 H VAL 37 HN VAL 37 -5.415 5.174 4.344 275 HA VAL 37 HA VAL 37 -6.012 4.101 1.643 276 HB VAL 37 HB VAL 37 -7.264 3.514 4.375 277 HG11 VAL 37 HG11 VAL 37 -8.875 2.989 2.564 278 HG12 VAL 37 HG12 VAL 37 -7.603 2.088 1.711 279 HG13 VAL 37 HG13 VAL 37 -8.219 1.499 3.266 280 HG21 VAL 37 HG21 VAL 37 -5.015 2.620 4.345 281 HG22 VAL 37 HG22 VAL 37 -6.097 1.270 3.957 282 HG23 VAL 37 HG23 VAL 37 -5.206 2.049 2.664 283 H ILE 38 HN ILE 38 -7.091 5.597 0.345 284 HA ILE 38 HA ILE 38 -8.866 7.601 1.488 285 HB ILE 38 HB ILE 38 -8.828 6.650 -1.413 286 HG12 ILE 38 HG12 ILE 38 -7.138 8.904 -0.233 287 HG13 ILE 38 HG13 ILE 38 -6.539 7.364 -0.870 288 HG21 ILE 38 HG21 ILE 38 -9.779 8.987 -1.795 289 HG22 ILE 38 HG22 ILE 38 -10.808 7.991 -0.816 290 HG23 ILE 38 HG23 ILE 38 -9.759 9.227 -0.069 291 HD11 ILE 38 HD11 ILE 38 -6.227 8.941 -2.634 292 HD12 ILE 38 HD12 ILE 38 -7.648 7.973 -3.104 293 HD13 ILE 38 HD13 ILE 38 -7.835 9.612 -2.444 294 H LYS 39 HN LYS 39 -11.118 7.475 1.631 295 HA LYS 39 HA LYS 39 -12.466 5.052 0.593 296 HB2 LYS 39 HB2 LYS 39 -13.428 6.429 3.098 297 HB3 LYS 39 HB3 LYS 39 -13.960 4.937 2.396 298 HG2 LYS 39 HG2 LYS 39 -12.691 3.973 3.942 299 HG3 LYS 39 HG3 LYS 39 -11.376 4.196 2.826 300 HD2 LYS 39 HD2 LYS 39 -10.675 6.221 4.049 301 HD3 LYS 39 HD3 LYS 39 -12.108 6.123 5.092 302 HE2 LYS 39 HE2 LYS 39 -9.967 3.989 4.951 303 HE3 LYS 39 HE3 LYS 39 -10.017 5.268 6.178 304 HZ1 LYS 39 HZ1 LYS 39 -12.158 4.337 6.920 305 HZ2 LYS 39 HZ2 LYS 39 -10.944 3.210 6.936 306 HZ3 LYS 39 HZ3 LYS 39 -12.068 3.168 5.769 307 H ASP 40 HN ASP 40 -14.529 5.465 -0.431 308 HA ASP 40 HA ASP 40 -14.812 8.243 -1.354 309 HB2 ASP 40 HB2 ASP 40 -15.403 5.618 -2.369 310 HB3 ASP 40 HB3 ASP 40 -16.935 6.487 -2.192 311 H LYS 41 HN LYS 41 -16.986 9.227 -1.422 312 HA LYS 41 HA LYS 41 -18.198 9.135 1.274 313 HB2 LYS 41 HB2 LYS 41 -18.159 11.072 -1.002 314 HB3 LYS 41 HB3 LYS 41 -19.727 10.876 -0.255 315 HG2 LYS 41 HG2 LYS 41 -18.717 11.322 1.997 316 HG3 LYS 41 HG3 LYS 41 -17.202 11.728 1.170 317 HD2 LYS 41 HD2 LYS 41 -18.260 13.518 -0.058 318 HD3 LYS 41 HD3 LYS 41 -19.863 13.037 0.462 319 HE2 LYS 41 HE2 LYS 41 -17.691 13.969 2.387 320 HE3 LYS 41 HE3 LYS 41 -18.827 15.053 1.609 321 HZ1 LYS 41 HZ1 LYS 41 -20.653 13.855 2.583 322 HZ2 LYS 41 HZ2 LYS 41 -19.712 14.589 3.665 323 HZ3 LYS 41 HZ3 LYS 41 -19.616 12.932 3.497 324 H GLN 42 HN GLN 42 -19.377 8.847 -2.092 325 HA GLN 42 HA GLN 42 -22.016 8.281 -1.217 326 HB2 GLN 42 HB2 GLN 42 -20.712 8.524 -3.789 327 HB3 GLN 42 HB3 GLN 42 -21.656 7.042 -3.809 328 HG2 GLN 42 HG2 GLN 42 -22.652 9.849 -3.301 329 HG3 GLN 42 HG3 GLN 42 -23.036 8.795 -4.651 330 HE21 GLN 42 HE21 GLN 42 -24.362 10.068 -1.929 331 HE22 GLN 42 HE22 GLN 42 -25.518 8.821 -1.536 332 H THR 43 HN THR 43 -19.478 6.003 -2.420 333 HA THR 43 HA THR 43 -21.171 3.715 -1.932 334 HB THR 43 HB THR 43 -19.135 2.501 -2.647 335 HG1 THR 43 HG1 THR 43 -17.354 3.773 -3.331 336 HG21 THR 43 HG21 THR 43 -19.839 4.833 -4.468 337 HG22 THR 43 HG22 THR 43 -20.555 3.198 -4.448 338 HG23 THR 43 HG23 THR 43 -18.886 3.405 -4.945 339 H GLN 44 HN GLN 44 -18.902 5.579 -0.037 340 HA GLN 44 HA GLN 44 -17.961 5.371 1.970 341 HB2 GLN 44 HB2 GLN 44 -19.659 2.950 2.531 342 HB3 GLN 44 HB3 GLN 44 -18.806 3.932 3.695 343 HG2 GLN 44 HG2 GLN 44 -21.020 5.169 1.993 344 HG3 GLN 44 HG3 GLN 44 -21.375 4.182 3.395 345 HE21 GLN 44 HE21 GLN 44 -21.320 7.312 2.647 346 HE22 GLN 44 HE22 GLN 44 -20.962 7.892 4.285 347 H LEU 45 HN LEU 45 -17.716 2.970 -0.333 348 HA LEU 45 HA LEU 45 -15.838 1.072 0.698 349 HB2 LEU 45 HB2 LEU 45 -16.260 2.087 -2.138 350 HB3 LEU 45 HB3 LEU 45 -15.496 0.569 -1.707 351 HG LEU 45 HG LEU 45 -18.406 1.156 -1.194 352 HD11 LEU 45 HD11 LEU 45 -18.826 -0.065 -3.196 353 HD12 LEU 45 HD12 LEU 45 -17.102 -0.474 -3.395 354 HD13 LEU 45 HD13 LEU 45 -17.635 1.190 -3.569 355 HD21 LEU 45 HD21 LEU 45 -18.353 -1.430 -0.948 356 HD22 LEU 45 HD22 LEU 45 -17.796 -0.433 0.389 357 HD23 LEU 45 HD23 LEU 45 -16.633 -1.239 -0.649 358 H ASN 46 HN ASN 46 -13.799 1.044 -1.137 359 HA ASN 46 HA ASN 46 -12.279 3.522 -0.617 360 HB2 ASN 46 HB2 ASN 46 -10.326 2.271 -0.494 361 HB3 ASN 46 HB3 ASN 46 -11.552 1.437 0.456 362 HD21 ASN 46 HD21 ASN 46 -10.701 -0.554 0.440 363 HD22 ASN 46 HD22 ASN 46 -10.687 -1.584 -0.963 364 H ARG 47 HN ARG 47 -10.523 3.848 -2.217 365 HA ARG 47 HA ARG 47 -11.696 4.088 -4.941 366 HB2 ARG 47 HB2 ARG 47 -9.587 5.600 -3.487 367 HB3 ARG 47 HB3 ARG 47 -9.522 5.523 -5.242 368 HG2 ARG 47 HG2 ARG 47 -11.554 6.556 -5.616 369 HG3 ARG 47 HG3 ARG 47 -12.171 6.157 -3.997 370 HD2 ARG 47 HD2 ARG 47 -11.563 8.056 -3.169 371 HD3 ARG 47 HD3 ARG 47 -9.891 7.781 -3.660 372 HE ARG 47 HE ARG 47 -10.048 9.351 -5.233 373 HH11 ARG 47 HH11 ARG 47 -13.495 8.449 -4.633 374 HH12 ARG 47 HH12 ARG 47 -14.055 9.910 -5.318 375 HH21 ARG 47 HH21 ARG 47 -10.942 11.147 -6.334 376 HH22 ARG 47 HH22 ARG 47 -12.562 11.602 -6.037 377 H GLY 48 HN GLY 48 -9.715 1.976 -3.275 378 HA2 GLY 48 HA1 GLY 48 -8.870 0.063 -3.992 379 HA3 GLY 48 HA2 GLY 48 -9.070 0.609 -5.644 380 H PHE 49 HN PHE 49 -7.212 2.809 -3.832 381 HA PHE 49 HA PHE 49 -4.654 1.404 -4.068 382 HB2 PHE 49 HB2 PHE 49 -3.589 3.411 -5.085 383 HB3 PHE 49 HB3 PHE 49 -4.723 2.616 -6.158 384 HD1 PHE 49 HD1 PHE 49 -6.878 3.689 -6.755 385 HD2 PHE 49 HD2 PHE 49 -4.032 5.629 -4.156 386 HE1 PHE 49 HE1 PHE 49 -8.087 5.844 -7.024 387 HE2 PHE 49 HE2 PHE 49 -5.282 7.779 -4.433 388 HZ PHE 49 HZ PHE 49 -7.298 7.876 -5.847 389 H ALA 50 HN ALA 50 -2.981 2.626 -2.743 390 HA ALA 50 HA ALA 50 -3.922 4.494 -0.757 391 HB1 ALA 50 HB1 ALA 50 -3.478 2.929 1.171 392 HB2 ALA 50 HB2 ALA 50 -4.907 2.466 0.220 393 HB3 ALA 50 HB3 ALA 50 -3.364 1.601 0.034 394 H PHE 51 HN PHE 51 -2.105 4.880 0.845 395 HA PHE 51 HA PHE 51 0.416 5.026 -0.759 396 HB2 PHE 51 HB2 PHE 51 -1.018 7.045 1.020 397 HB3 PHE 51 HB3 PHE 51 0.498 7.346 0.236 398 HD1 PHE 51 HD1 PHE 51 -3.096 7.281 -0.093 399 HD2 PHE 51 HD2 PHE 51 0.574 7.315 -2.331 400 HE1 PHE 51 HE1 PHE 51 -4.341 8.011 -2.075 401 HE2 PHE 51 HE2 PHE 51 -0.696 8.004 -4.361 402 HZ PHE 51 HZ PHE 51 -3.131 8.374 -4.251 403 H ILE 52 HN ILE 52 2.019 3.927 0.279 404 HA ILE 52 HA ILE 52 2.222 3.865 3.211 405 HB ILE 52 HB ILE 52 3.876 2.564 1.041 406 HG12 ILE 52 HG12 ILE 52 1.924 1.206 2.927 407 HG13 ILE 52 HG13 ILE 52 1.545 1.671 1.270 408 HG21 ILE 52 HG21 ILE 52 5.334 2.919 2.844 409 HG22 ILE 52 HG22 ILE 52 4.107 2.506 4.046 410 HG23 ILE 52 HG23 ILE 52 4.819 1.229 3.047 411 HD11 ILE 52 HD11 ILE 52 3.646 -0.362 2.074 412 HD12 ILE 52 HD12 ILE 52 2.086 -0.658 1.300 413 HD13 ILE 52 HD13 ILE 52 3.347 0.213 0.419 414 H GLN 53 HN GLN 53 3.534 5.330 4.213 415 HA GLN 53 HA GLN 53 5.670 6.692 2.665 416 HB2 GLN 53 HB2 GLN 53 3.743 7.787 4.774 417 HB3 GLN 53 HB3 GLN 53 5.301 8.507 4.438 418 HG2 GLN 53 HG2 GLN 53 4.345 9.742 2.878 419 HG3 GLN 53 HG3 GLN 53 4.291 8.310 1.866 420 HE21 GLN 53 HE21 GLN 53 2.056 6.894 3.324 421 HE22 GLN 53 HE22 GLN 53 0.664 7.866 2.983 422 H LEU 54 HN LEU 54 7.646 6.852 3.744 423 HA LEU 54 HA LEU 54 8.017 5.682 6.386 424 HB2 LEU 54 HB2 LEU 54 8.680 4.287 3.818 425 HB3 LEU 54 HB3 LEU 54 9.973 4.297 4.992 426 HG LEU 54 HG LEU 54 7.193 3.182 5.448 427 HD11 LEU 54 HD11 LEU 54 8.638 1.823 3.931 428 HD12 LEU 54 HD12 LEU 54 8.309 1.000 5.449 429 HD13 LEU 54 HD13 LEU 54 9.885 1.756 5.171 430 HD21 LEU 54 HD21 LEU 54 8.100 3.954 7.571 431 HD22 LEU 54 HD22 LEU 54 9.679 3.184 7.197 432 HD23 LEU 54 HD23 LEU 54 8.234 2.199 7.498 433 H SER 55 HN SER 55 10.648 5.629 6.631 434 HA SER 55 HA SER 55 11.693 8.299 6.090 435 HB2 SER 55 HB2 SER 55 12.418 5.995 7.676 436 HB3 SER 55 HB3 SER 55 13.730 6.272 6.530 437 HG SER 55 HG SER 55 12.772 7.865 8.631 438 H THR 56 HN THR 56 13.692 8.567 4.571 439 HA THR 56 HA THR 56 12.850 7.840 1.991 440 HB THR 56 HB THR 56 15.243 8.741 1.452 441 HG1 THR 56 HG1 THR 56 16.308 9.678 3.130 442 HG21 THR 56 HG21 THR 56 14.562 11.068 1.942 443 HG22 THR 56 HG22 THR 56 13.277 10.472 3.029 444 HG23 THR 56 HG23 THR 56 13.205 10.122 1.305 445 H ILE 57 HN ILE 57 15.821 6.782 3.699 446 HA ILE 57 HA ILE 57 16.413 4.722 1.843 447 HB ILE 57 HB ILE 57 17.270 4.980 4.731 448 HG12 ILE 57 HG12 ILE 57 18.596 5.938 2.163 449 HG13 ILE 57 HG13 ILE 57 17.834 6.975 3.365 450 HG21 ILE 57 HG21 ILE 57 19.165 3.522 4.034 451 HG22 ILE 57 HG22 ILE 57 17.628 2.694 3.924 452 HG23 ILE 57 HG23 ILE 57 18.408 3.310 2.445 453 HD11 ILE 57 HD11 ILE 57 20.183 7.076 3.689 454 HD12 ILE 57 HD12 ILE 57 19.472 6.199 5.065 455 HD13 ILE 57 HD13 ILE 57 20.347 5.325 3.783 456 H GLU 58 HN GLU 58 14.582 4.597 4.938 457 HA GLU 58 HA GLU 58 14.142 1.891 5.169 458 HB2 GLU 58 HB2 GLU 58 12.451 4.296 5.797 459 HB3 GLU 58 HB3 GLU 58 11.760 2.716 5.994 460 HG2 GLU 58 HG2 GLU 58 14.409 3.499 7.256 461 HG3 GLU 58 HG3 GLU 58 12.849 3.784 8.025 462 H ALA 59 HN ALA 59 12.109 4.221 3.386 463 HA ALA 59 HA ALA 59 10.288 2.426 2.291 464 HB1 ALA 59 HB1 ALA 59 10.082 4.974 2.347 465 HB2 ALA 59 HB2 ALA 59 11.252 5.070 1.037 466 HB3 ALA 59 HB3 ALA 59 9.685 4.259 0.790 467 H ALA 60 HN ALA 60 13.219 3.908 0.857 468 HA ALA 60 HA ALA 60 13.053 2.820 -1.721 469 HB1 ALA 60 HB1 ALA 60 14.462 4.744 -1.128 470 HB2 ALA 60 HB2 ALA 60 15.528 3.691 -0.158 471 HB3 ALA 60 HB3 ALA 60 15.423 3.477 -1.930 472 H GLN 61 HN GLN 61 14.884 1.566 1.101 473 HA GLN 61 HA GLN 61 15.984 -0.749 -0.254 474 HB2 GLN 61 HB2 GLN 61 15.353 -0.040 2.610 475 HB3 GLN 61 HB3 GLN 61 16.034 -1.606 2.169 476 HG2 GLN 61 HG2 GLN 61 18.002 -0.402 1.169 477 HG3 GLN 61 HG3 GLN 61 17.338 1.113 1.808 478 HE21 GLN 61 HE21 GLN 61 16.283 -0.173 4.350 479 HE22 GLN 61 HE22 GLN 61 17.665 -0.666 5.263 480 H LEU 62 HN LEU 62 13.057 -0.301 1.871 481 HA LEU 62 HA LEU 62 12.298 -2.950 1.932 482 HB2 LEU 62 HB2 LEU 62 11.391 -1.201 3.363 483 HB3 LEU 62 HB3 LEU 62 10.569 -0.459 1.992 484 HG LEU 62 HG LEU 62 8.988 -2.429 1.938 485 HD11 LEU 62 HD11 LEU 62 9.058 -4.183 3.510 486 HD12 LEU 62 HD12 LEU 62 10.532 -3.522 4.286 487 HD13 LEU 62 HD13 LEU 62 10.557 -4.186 2.639 488 HD21 LEU 62 HD21 LEU 62 9.265 -1.232 4.663 489 HD22 LEU 62 HD22 LEU 62 7.789 -1.741 3.786 490 HD23 LEU 62 HD23 LEU 62 8.682 -0.360 3.232 491 H LEU 63 HN LEU 63 11.389 -0.514 -0.543 492 HA LEU 63 HA LEU 63 9.616 -2.103 -2.099 493 HB2 LEU 63 HB2 LEU 63 10.075 0.274 -2.455 494 HB3 LEU 63 HB3 LEU 63 11.736 -0.071 -2.957 495 HG LEU 63 HG LEU 63 10.429 -1.579 -4.784 496 HD11 LEU 63 HD11 LEU 63 8.447 0.641 -4.127 497 HD12 LEU 63 HD12 LEU 63 8.184 -1.092 -3.865 498 HD13 LEU 63 HD13 LEU 63 8.344 -0.446 -5.512 499 HD21 LEU 63 HD21 LEU 63 12.013 0.164 -5.324 500 HD22 LEU 63 HD22 LEU 63 10.839 1.411 -4.893 501 HD23 LEU 63 HD23 LEU 63 10.559 0.373 -6.317 502 H GLN 64 HN GLN 64 13.221 -1.863 -2.269 503 HA GLN 64 HA GLN 64 13.412 -3.578 -4.549 504 HB2 GLN 64 HB2 GLN 64 15.478 -2.734 -2.452 505 HB3 GLN 64 HB3 GLN 64 15.877 -3.615 -3.906 506 HG2 GLN 64 HG2 GLN 64 15.298 -1.842 -5.203 507 HG3 GLN 64 HG3 GLN 64 14.477 -0.917 -3.950 508 HE21 GLN 64 HE21 GLN 64 15.682 0.307 -2.569 509 HE22 GLN 64 HE22 GLN 64 17.408 0.643 -2.753 510 H ILE 65 HN ILE 65 13.183 -4.232 -1.098 511 HA ILE 65 HA ILE 65 14.113 -6.985 -1.156 512 HB ILE 65 HB ILE 65 12.254 -5.594 0.803 513 HG12 ILE 65 HG12 ILE 65 15.239 -6.107 1.079 514 HG13 ILE 65 HG13 ILE 65 14.544 -4.564 0.642 515 HG21 ILE 65 HG21 ILE 65 12.794 -7.382 2.386 516 HG22 ILE 65 HG22 ILE 65 12.004 -8.012 0.983 517 HG23 ILE 65 HG23 ILE 65 13.772 -8.196 1.163 518 HD11 ILE 65 HD11 ILE 65 13.181 -4.759 2.862 519 HD12 ILE 65 HD12 ILE 65 14.419 -5.953 3.297 520 HD13 ILE 65 HD13 ILE 65 14.883 -4.293 2.904 521 H LEU 66 HN LEU 66 10.825 -5.526 -1.030 522 HA LEU 66 HA LEU 66 9.397 -7.868 -1.683 523 HB2 LEU 66 HB2 LEU 66 8.709 -4.911 -1.925 524 HB3 LEU 66 HB3 LEU 66 7.581 -6.183 -2.322 525 HG LEU 66 HG LEU 66 6.994 -5.442 -0.169 526 HD11 LEU 66 HD11 LEU 66 7.093 -7.960 -0.537 527 HD12 LEU 66 HD12 LEU 66 7.008 -7.372 1.138 528 HD13 LEU 66 HD13 LEU 66 8.558 -7.926 0.473 529 HD21 LEU 66 HD21 LEU 66 9.803 -5.851 0.835 530 HD22 LEU 66 HD22 LEU 66 8.358 -5.487 1.798 531 HD23 LEU 66 HD23 LEU 66 8.905 -4.324 0.608 532 H GLN 67 HN GLN 67 11.192 -5.812 -3.869 533 HA GLN 67 HA GLN 67 9.732 -6.880 -6.245 534 HB2 GLN 67 HB2 GLN 67 11.978 -4.845 -5.909 535 HB3 GLN 67 HB3 GLN 67 11.476 -5.475 -7.480 536 HG2 GLN 67 HG2 GLN 67 9.132 -4.731 -6.935 537 HG3 GLN 67 HG3 GLN 67 9.778 -3.834 -5.565 538 HE21 GLN 67 HE21 GLN 67 8.669 -1.941 -6.987 539 HE22 GLN 67 HE22 GLN 67 9.640 -1.347 -8.270 540 H ALA 68 HN ALA 68 11.730 -8.316 -4.307 541 HA ALA 68 HA ALA 68 13.313 -9.627 -6.487 542 HB1 ALA 68 HB1 ALA 68 15.107 -9.929 -4.876 543 HB2 ALA 68 HB2 ALA 68 14.693 -8.220 -5.088 544 HB3 ALA 68 HB3 ALA 68 14.166 -9.090 -3.637 545 H LEU 69 HN LEU 69 11.826 -10.126 -3.330 546 HA LEU 69 HA LEU 69 11.854 -13.032 -3.463 547 HB2 LEU 69 HB2 LEU 69 10.601 -12.895 -1.360 548 HB3 LEU 69 HB3 LEU 69 12.028 -11.895 -1.362 549 HG LEU 69 HG LEU 69 10.170 -10.025 -2.155 550 HD11 LEU 69 HD11 LEU 69 8.230 -11.517 -1.849 551 HD12 LEU 69 HD12 LEU 69 8.227 -10.189 -0.689 552 HD13 LEU 69 HD13 LEU 69 8.725 -11.831 -0.194 553 HD21 LEU 69 HD21 LEU 69 10.268 -9.188 0.100 554 HD22 LEU 69 HD22 LEU 69 11.832 -9.860 -0.328 555 HD23 LEU 69 HD23 LEU 69 10.746 -10.777 0.733 556 H HIS 70 HN HIS 70 9.467 -13.828 -2.756 557 HA HIS 70 HA HIS 70 7.959 -14.261 -5.010 558 HB2 HIS 70 HB2 HIS 70 7.343 -14.396 -2.029 559 HB3 HIS 70 HB3 HIS 70 6.233 -15.054 -3.205 560 HD1 HIS 70 HD1 HIS 70 8.113 -16.777 -1.030 561 HD2 HIS 70 HD2 HIS 70 8.534 -16.316 -5.201 562 HE1 HIS 70 HE1 HIS 70 9.477 -18.761 -1.858 563 HA PRO 71 HA PRO 71 5.053 -11.077 -5.711 564 HB2 PRO 71 HB2 PRO 71 2.626 -12.346 -6.149 565 HB3 PRO 71 HB3 PRO 71 3.991 -12.367 -7.297 566 HG2 PRO 71 HG2 PRO 71 3.307 -14.444 -5.196 567 HG3 PRO 71 HG3 PRO 71 3.632 -14.716 -6.942 568 HD2 PRO 71 HD2 PRO 71 5.584 -15.079 -5.169 569 HD3 PRO 71 HD3 PRO 71 5.940 -14.178 -6.662 570 HA PRO 72 HA PRO 72 3.001 -9.928 -2.022 571 HB2 PRO 72 HB2 PRO 72 0.791 -8.462 -2.932 572 HB3 PRO 72 HB3 PRO 72 2.489 -7.888 -2.804 573 HG2 PRO 72 HG2 PRO 72 0.966 -8.900 -5.186 574 HG3 PRO 72 HG3 PRO 72 2.130 -7.544 -5.114 575 HD2 PRO 72 HD2 PRO 72 2.788 -10.011 -6.069 576 HD3 PRO 72 HD3 PRO 72 3.961 -8.998 -5.188 577 H LEU 73 HN LEU 73 1.270 -10.276 -0.593 578 HA LEU 73 HA LEU 73 -0.240 -12.703 -0.994 579 HB2 LEU 73 HB2 LEU 73 1.252 -12.033 0.947 580 HB3 LEU 73 HB3 LEU 73 0.079 -10.797 1.374 581 HG LEU 73 HG LEU 73 0.060 -12.832 2.737 582 HD11 LEU 73 HD11 LEU 73 -2.285 -13.006 2.995 583 HD12 LEU 73 HD12 LEU 73 -2.545 -12.578 1.295 584 HD13 LEU 73 HD13 LEU 73 -1.955 -11.356 2.429 585 HD21 LEU 73 HD21 LEU 73 -0.760 -14.958 1.928 586 HD22 LEU 73 HD22 LEU 73 0.595 -14.457 0.916 587 HD23 LEU 73 HD23 LEU 73 -1.077 -14.300 0.320 588 H THR 74 HN THR 74 -2.387 -12.735 -1.356 589 HA THR 74 HA THR 74 -3.815 -10.169 -1.901 590 HB THR 74 HB THR 74 -4.087 -11.487 -3.810 591 HG1 THR 74 HG1 THR 74 -6.134 -12.267 -3.782 592 HG21 THR 74 HG21 THR 74 -3.141 -13.582 -3.190 593 HG22 THR 74 HG22 THR 74 -4.811 -13.857 -3.710 594 HG23 THR 74 HG23 THR 74 -4.431 -13.849 -1.982 595 H ILE 75 HN ILE 75 -5.843 -9.774 -0.924 596 HA ILE 75 HA ILE 75 -6.482 -11.426 1.484 597 HB ILE 75 HB ILE 75 -6.760 -8.459 1.785 598 HG12 ILE 75 HG12 ILE 75 -4.462 -8.390 2.859 599 HG13 ILE 75 HG13 ILE 75 -4.025 -9.788 1.891 600 HG21 ILE 75 HG21 ILE 75 -7.496 -10.111 3.483 601 HG22 ILE 75 HG22 ILE 75 -5.822 -10.679 3.630 602 HG23 ILE 75 HG23 ILE 75 -6.250 -9.027 4.110 603 HD11 ILE 75 HD11 ILE 75 -4.397 -8.303 -0.155 604 HD12 ILE 75 HD12 ILE 75 -4.792 -6.976 0.973 605 HD13 ILE 75 HD13 ILE 75 -3.180 -7.698 0.979 606 H ASP 76 HN ASP 76 -7.717 -10.987 -1.257 607 HA ASP 76 HA ASP 76 -10.402 -11.265 -0.550 608 HB2 ASP 76 HB2 ASP 76 -9.905 -8.576 -0.365 609 HB3 ASP 76 HB3 ASP 76 -10.391 -8.661 -2.024 610 H GLY 77 HN GLY 77 -8.394 -12.519 -2.215 611 HA2 GLY 77 HA1 GLY 77 -8.027 -13.415 -4.246 612 HA3 GLY 77 HA2 GLY 77 -9.745 -13.089 -4.595 613 H LYS 78 HN LYS 78 -7.522 -10.439 -3.917 614 HA LYS 78 HA LYS 78 -7.231 -9.698 -6.766 615 HB2 LYS 78 HB2 LYS 78 -7.092 -7.340 -5.659 616 HB3 LYS 78 HB3 LYS 78 -8.626 -8.063 -6.083 617 HG2 LYS 78 HG2 LYS 78 -8.873 -7.012 -4.047 618 HG3 LYS 78 HG3 LYS 78 -9.034 -8.690 -3.750 619 HD2 LYS 78 HD2 LYS 78 -7.022 -8.787 -2.518 620 HD3 LYS 78 HD3 LYS 78 -6.432 -7.253 -3.233 621 HE2 LYS 78 HE2 LYS 78 -8.020 -5.960 -2.063 622 HE3 LYS 78 HE3 LYS 78 -8.902 -7.374 -1.514 623 HZ1 LYS 78 HZ1 LYS 78 -6.219 -6.590 -0.604 624 HZ2 LYS 78 HZ2 LYS 78 -7.060 -7.935 -0.112 625 HZ3 LYS 78 HZ3 LYS 78 -7.667 -6.455 0.206 626 H THR 79 HN THR 79 -5.069 -10.031 -7.304 627 HA THR 79 HA THR 79 -3.155 -10.027 -5.133 628 HB THR 79 HB THR 79 -2.287 -9.838 -7.969 629 HG1 THR 79 HG1 THR 79 -3.137 -11.564 -8.577 630 HG21 THR 79 HG21 THR 79 -0.570 -11.379 -7.213 631 HG22 THR 79 HG22 THR 79 -1.418 -11.620 -5.657 632 HG23 THR 79 HG23 THR 79 -0.702 -10.047 -6.054 633 H ILE 80 HN ILE 80 -2.102 -8.303 -4.375 634 HA ILE 80 HA ILE 80 -2.752 -5.642 -5.259 635 HB ILE 80 HB ILE 80 -0.578 -6.550 -3.320 636 HG12 ILE 80 HG12 ILE 80 -2.528 -7.584 -2.428 637 HG13 ILE 80 HG13 ILE 80 -2.314 -6.108 -1.514 638 HG21 ILE 80 HG21 ILE 80 -1.045 -4.378 -2.179 639 HG22 ILE 80 HG22 ILE 80 -0.361 -4.180 -3.771 640 HG23 ILE 80 HG23 ILE 80 -2.102 -3.912 -3.521 641 HD11 ILE 80 HD11 ILE 80 -4.362 -6.685 -3.672 642 HD12 ILE 80 HD12 ILE 80 -4.631 -6.226 -1.978 643 HD13 ILE 80 HD13 ILE 80 -4.014 -5.042 -3.160 644 H ASN 81 HN ASN 81 -0.907 -4.043 -5.701 645 HA ASN 81 HA ASN 81 1.220 -5.072 -7.491 646 HB2 ASN 81 HB2 ASN 81 -1.074 -3.326 -8.191 647 HB3 ASN 81 HB3 ASN 81 0.467 -2.669 -8.644 648 HD21 ASN 81 HD21 ASN 81 -1.150 -5.825 -8.631 649 HD22 ASN 81 HD22 ASN 81 -0.614 -6.289 -10.275 650 H VAL 82 HN VAL 82 2.916 -3.384 -7.663 651 HA VAL 82 HA VAL 82 3.057 -1.745 -5.173 652 HB VAL 82 HB VAL 82 5.285 -3.318 -6.559 653 HG11 VAL 82 HG11 VAL 82 6.620 -2.776 -4.576 654 HG12 VAL 82 HG12 VAL 82 6.048 -1.294 -5.331 655 HG13 VAL 82 HG13 VAL 82 5.241 -1.868 -3.873 656 HG21 VAL 82 HG21 VAL 82 3.750 -4.913 -5.449 657 HG22 VAL 82 HG22 VAL 82 5.296 -4.818 -4.601 658 HG23 VAL 82 HG23 VAL 82 3.879 -3.966 -3.953 659 H GLU 83 HN GLU 83 3.608 0.390 -5.587 660 HA GLU 83 HA GLU 83 5.075 1.005 -8.103 661 HB2 GLU 83 HB2 GLU 83 2.525 2.191 -6.962 662 HB3 GLU 83 HB3 GLU 83 3.629 3.279 -7.761 663 HG2 GLU 83 HG2 GLU 83 2.660 0.773 -9.167 664 HG3 GLU 83 HG3 GLU 83 1.720 2.266 -9.044 665 H PHE 84 HN PHE 84 6.113 2.915 -7.986 666 HA PHE 84 HA PHE 84 7.048 3.764 -5.237 667 HB2 PHE 84 HB2 PHE 84 8.497 2.011 -6.106 668 HB3 PHE 84 HB3 PHE 84 8.714 2.869 -7.613 669 HD1 PHE 84 HD1 PHE 84 8.886 4.435 -4.189 670 HD2 PHE 84 HD2 PHE 84 11.111 2.935 -7.576 671 HE1 PHE 84 HE1 PHE 84 10.973 5.360 -3.243 672 HE2 PHE 84 HE2 PHE 84 13.190 3.834 -6.587 673 HZ PHE 84 HZ PHE 84 13.134 5.028 -4.412 674 H ALA 85 HN ALA 85 6.122 5.865 -5.319 675 HA ALA 85 HA ALA 85 6.795 7.556 -7.693 676 HB1 ALA 85 HB1 ALA 85 4.387 7.433 -7.082 677 HB2 ALA 85 HB2 ALA 85 4.803 8.184 -5.512 678 HB3 ALA 85 HB3 ALA 85 5.086 9.064 -7.015 679 H LYS 86 HN LYS 86 9.019 7.600 -7.008 680 HA LYS 86 HA LYS 86 9.756 8.468 -4.385 681 HB2 LYS 86 HB2 LYS 86 10.990 7.053 -6.228 682 HB3 LYS 86 HB3 LYS 86 11.526 8.611 -6.852 683 HG2 LYS 86 HG2 LYS 86 11.986 7.571 -4.005 684 HG3 LYS 86 HG3 LYS 86 13.115 7.432 -5.357 685 HD2 LYS 86 HD2 LYS 86 12.863 10.024 -5.512 686 HD3 LYS 86 HD3 LYS 86 12.315 9.904 -3.815 687 HE2 LYS 86 HE2 LYS 86 14.348 8.927 -3.143 688 HE3 LYS 86 HE3 LYS 86 14.896 8.668 -4.811 689 HZ1 LYS 86 HZ1 LYS 86 14.983 11.080 -5.074 690 HZ2 LYS 86 HZ2 LYS 86 15.945 10.591 -3.816 691 HZ3 LYS 86 HZ3 LYS 86 14.494 11.279 -3.526 692 H GLY 87 HN GLY 87 10.512 10.530 -3.722 693 HA2 GLY 87 HA1 GLY 87 9.863 12.934 -5.309 694 HA3 GLY 87 HA2 GLY 87 10.514 12.856 -3.668 695 H SER 88 HN SER 88 11.385 12.561 -7.091 696 HA SER 88 HA SER 88 14.224 12.973 -6.348 697 HB2 SER 88 HB2 SER 88 13.467 12.176 -9.137 698 HB3 SER 88 HB3 SER 88 14.953 11.888 -8.248 699 HG SER 88 HG SER 88 12.770 10.329 -8.558 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 6.847 15.262 -3.885 2 HA2 GLY 1 HA1 GLY 1 4.576 14.525 -3.749 3 HA3 GLY 1 HA2 GLY 1 4.997 13.107 -4.724 4 H HIS 2 HN HIS 2 5.593 14.661 -1.560 5 HA HIS 2 HA HIS 2 6.285 14.013 0.389 6 HB2 HIS 2 HB2 HIS 2 5.641 11.111 -0.170 7 HB3 HIS 2 HB3 HIS 2 5.728 11.920 1.378 8 HD1 HIS 2 HD1 HIS 2 3.247 10.603 -0.833 9 HD2 HIS 2 HD2 HIS 2 3.670 14.036 1.574 10 HE1 HIS 2 HE1 HIS 2 0.882 11.605 -0.528 11 H MET 3 HN MET 3 7.878 12.666 1.556 12 HA MET 3 HA MET 3 10.133 11.540 0.070 13 HB2 MET 3 HB2 MET 3 9.327 11.721 2.969 14 HB3 MET 3 HB3 MET 3 10.598 10.604 2.421 15 HG2 MET 3 HG2 MET 3 11.894 12.339 1.455 16 HG3 MET 3 HG3 MET 3 10.603 13.526 1.586 17 HE1 MET 3 HE1 MET 3 10.152 15.055 3.469 18 HE2 MET 3 HE2 MET 3 9.493 13.642 4.311 19 HE3 MET 3 HE3 MET 3 10.604 14.736 5.164 20 H ASP 4 HN ASP 4 9.741 9.973 -1.082 21 HA ASP 4 HA ASP 4 9.348 7.932 -1.899 22 HB2 ASP 4 HB2 ASP 4 9.874 7.270 1.007 23 HB3 ASP 4 HB3 ASP 4 10.170 6.298 -0.451 24 H THR 5 HN THR 5 7.262 7.845 -2.595 25 HA THR 5 HA THR 5 5.261 6.716 -0.698 26 HB THR 5 HB THR 5 4.692 8.077 -3.355 27 HG1 THR 5 HG1 THR 5 5.314 9.636 -1.937 28 HG21 THR 5 HG21 THR 5 2.991 6.403 -2.683 29 HG22 THR 5 HG22 THR 5 2.354 8.042 -2.472 30 HG23 THR 5 HG23 THR 5 2.918 7.121 -1.066 31 H ILE 6 HN ILE 6 5.202 4.514 -0.859 32 HA ILE 6 HA ILE 6 5.697 3.156 -3.439 33 HB ILE 6 HB ILE 6 4.941 1.874 -0.778 34 HG12 ILE 6 HG12 ILE 6 7.684 2.255 -2.021 35 HG13 ILE 6 HG13 ILE 6 7.092 2.931 -0.488 36 HG21 ILE 6 HG21 ILE 6 6.077 0.678 -3.337 37 HG22 ILE 6 HG22 ILE 6 5.580 -0.223 -1.893 38 HG23 ILE 6 HG23 ILE 6 4.368 0.589 -2.873 39 HD11 ILE 6 HD11 ILE 6 6.892 0.611 0.423 40 HD12 ILE 6 HD12 ILE 6 7.709 0.020 -1.051 41 HD13 ILE 6 HD13 ILE 6 8.544 1.131 0.037 42 H ILE 7 HN ILE 7 3.978 3.027 -4.762 43 HA ILE 7 HA ILE 7 1.249 3.577 -3.722 44 HB ILE 7 HB ILE 7 2.282 3.455 -6.535 45 HG12 ILE 7 HG12 ILE 7 1.089 5.938 -5.494 46 HG13 ILE 7 HG13 ILE 7 2.678 5.518 -4.865 47 HG21 ILE 7 HG21 ILE 7 0.052 4.316 -7.252 48 HG22 ILE 7 HG22 ILE 7 -0.031 2.685 -6.584 49 HG23 ILE 7 HG23 ILE 7 -0.553 4.069 -5.597 50 HD11 ILE 7 HD11 ILE 7 1.921 5.699 -7.807 51 HD12 ILE 7 HD12 ILE 7 2.674 6.980 -6.846 52 HD13 ILE 7 HD13 ILE 7 3.563 5.461 -7.144 53 H LEU 8 HN LEU 8 -0.260 2.134 -3.754 54 HA LEU 8 HA LEU 8 0.358 -0.700 -4.542 55 HB2 LEU 8 HB2 LEU 8 -1.723 0.256 -2.555 56 HB3 LEU 8 HB3 LEU 8 -1.445 -1.401 -3.052 57 HG LEU 8 HG LEU 8 0.380 0.316 -1.337 58 HD11 LEU 8 HD11 LEU 8 -0.192 -1.602 0.285 59 HD12 LEU 8 HD12 LEU 8 -1.430 -2.100 -0.874 60 HD13 LEU 8 HD13 LEU 8 -1.525 -0.519 -0.118 61 HD21 LEU 8 HD21 LEU 8 0.859 -2.521 -2.348 62 HD22 LEU 8 HD22 LEU 8 1.810 -1.700 -1.103 63 HD23 LEU 8 HD23 LEU 8 1.814 -1.088 -2.758 64 H ARG 9 HN ARG 9 -1.439 -1.846 -5.493 65 HA ARG 9 HA ARG 9 -3.783 -0.290 -6.424 66 HB2 ARG 9 HB2 ARG 9 -1.870 -1.828 -8.201 67 HB3 ARG 9 HB3 ARG 9 -3.521 -1.488 -8.696 68 HG2 ARG 9 HG2 ARG 9 -3.101 0.921 -8.478 69 HG3 ARG 9 HG3 ARG 9 -1.455 0.563 -7.943 70 HD2 ARG 9 HD2 ARG 9 -0.833 0.616 -10.095 71 HD3 ARG 9 HD3 ARG 9 -1.651 -0.935 -10.309 72 HE ARG 9 HE ARG 9 -2.522 1.773 -11.037 73 HH11 ARG 9 HH11 ARG 9 -3.522 -1.690 -11.030 74 HH12 ARG 9 HH12 ARG 9 -4.868 -1.423 -12.049 75 HH21 ARG 9 HH21 ARG 9 -4.306 2.061 -12.391 76 HH22 ARG 9 HH22 ARG 9 -5.269 0.693 -12.915 77 H ASN 10 HN ASN 10 -5.356 -1.779 -7.437 78 HA ASN 10 HA ASN 10 -6.654 -3.558 -7.596 79 HB2 ASN 10 HB2 ASN 10 -4.529 -4.693 -8.283 80 HB3 ASN 10 HB3 ASN 10 -4.335 -5.299 -6.666 81 HD21 ASN 10 HD21 ASN 10 -4.936 -7.408 -6.672 82 HD22 ASN 10 HD22 ASN 10 -6.387 -8.072 -7.422 83 H LEU 11 HN LEU 11 -6.121 -2.113 -4.822 84 HA LEU 11 HA LEU 11 -6.872 -3.815 -2.740 85 HB2 LEU 11 HB2 LEU 11 -7.607 -0.905 -3.281 86 HB3 LEU 11 HB3 LEU 11 -7.833 -1.706 -1.749 87 HG LEU 11 HG LEU 11 -5.954 -0.192 -1.823 88 HD11 LEU 11 HD11 LEU 11 -5.018 -3.060 -1.374 89 HD12 LEU 11 HD12 LEU 11 -5.930 -2.065 -0.223 90 HD13 LEU 11 HD13 LEU 11 -4.280 -1.607 -0.688 91 HD21 LEU 11 HD21 LEU 11 -4.308 -2.062 -3.481 92 HD22 LEU 11 HD22 LEU 11 -3.941 -0.423 -2.948 93 HD23 LEU 11 HD23 LEU 11 -5.188 -0.685 -4.178 94 H ASN 12 HN ASN 12 -8.756 -4.966 -2.397 95 HA ASN 12 HA ASN 12 -11.004 -4.715 -4.194 96 HB2 ASN 12 HB2 ASN 12 -10.196 -6.525 -1.977 97 HB3 ASN 12 HB3 ASN 12 -11.879 -6.115 -1.896 98 HD21 ASN 12 HD21 ASN 12 -12.216 -8.433 -2.327 99 HD22 ASN 12 HD22 ASN 12 -12.284 -8.967 -3.971 100 HA PRO 13 HA PRO 13 -13.342 -1.591 -2.611 101 HB2 PRO 13 HB2 PRO 13 -15.964 -2.490 -2.678 102 HB3 PRO 13 HB3 PRO 13 -14.975 -2.128 -4.123 103 HG2 PRO 13 HG2 PRO 13 -15.481 -4.806 -2.807 104 HG3 PRO 13 HG3 PRO 13 -15.564 -4.402 -4.543 105 HD2 PRO 13 HD2 PRO 13 -13.416 -5.568 -3.486 106 HD3 PRO 13 HD3 PRO 13 -13.241 -4.335 -4.764 107 H HIS 14 HN HIS 14 -13.837 -4.631 -0.850 108 HA HIS 14 HA HIS 14 -14.591 -3.125 1.616 109 HB2 HIS 14 HB2 HIS 14 -15.160 -5.939 0.623 110 HB3 HIS 14 HB3 HIS 14 -15.461 -5.408 2.284 111 HD1 HIS 14 HD1 HIS 14 -17.153 -3.242 2.566 112 HD2 HIS 14 HD2 HIS 14 -16.971 -5.131 -1.194 113 HE1 HIS 14 HE1 HIS 14 -19.124 -2.394 1.263 114 H SER 15 HN SER 15 -11.745 -3.852 0.416 115 HA SER 15 HA SER 15 -10.741 -5.772 2.357 116 HB2 SER 15 HB2 SER 15 -9.910 -5.214 -0.066 117 HB3 SER 15 HB3 SER 15 -9.025 -3.897 0.724 118 HG SER 15 HG SER 15 -8.461 -5.731 2.259 119 H THR 16 HN THR 16 -11.266 -2.372 2.423 120 HA THR 16 HA THR 16 -10.223 -0.582 3.175 121 HB THR 16 HB THR 16 -11.730 -0.979 4.856 122 HG1 THR 16 HG1 THR 16 -10.860 -0.096 6.673 123 HG21 THR 16 HG21 THR 16 -11.250 -2.292 6.941 124 HG22 THR 16 HG22 THR 16 -9.783 -2.905 6.144 125 HG23 THR 16 HG23 THR 16 -11.383 -3.286 5.488 126 H MET 17 HN MET 17 -8.456 -0.192 5.262 127 HA MET 17 HA MET 17 -5.803 -1.146 4.337 128 HB2 MET 17 HB2 MET 17 -4.960 0.783 5.582 129 HB3 MET 17 HB3 MET 17 -6.283 1.293 4.551 130 HG2 MET 17 HG2 MET 17 -7.767 0.908 6.701 131 HG3 MET 17 HG3 MET 17 -6.206 1.100 7.521 132 HE1 MET 17 HE1 MET 17 -4.862 3.374 7.440 133 HE2 MET 17 HE2 MET 17 -5.926 4.726 7.914 134 HE3 MET 17 HE3 MET 17 -6.070 3.156 8.720 135 H ASP 18 HN ASP 18 -8.252 -0.911 6.916 136 HA ASP 18 HA ASP 18 -6.593 -1.759 9.003 137 HB2 ASP 18 HB2 ASP 18 -8.921 -0.429 8.792 138 HB3 ASP 18 HB3 ASP 18 -9.576 -1.998 9.203 139 H SER 19 HN SER 19 -8.048 -3.581 6.616 140 HA SER 19 HA SER 19 -7.596 -6.094 8.149 141 HB2 SER 19 HB2 SER 19 -9.849 -5.483 6.188 142 HB3 SER 19 HB3 SER 19 -9.474 -7.090 6.876 143 HG SER 19 HG SER 19 -9.878 -6.371 8.896 144 H ILE 20 HN ILE 20 -5.990 -4.284 6.214 145 HA ILE 20 HA ILE 20 -4.762 -6.632 4.879 146 HB ILE 20 HB ILE 20 -4.624 -3.690 4.105 147 HG12 ILE 20 HG12 ILE 20 -5.994 -6.014 2.689 148 HG13 ILE 20 HG13 ILE 20 -6.764 -4.624 3.469 149 HG21 ILE 20 HG21 ILE 20 -2.485 -4.730 3.694 150 HG22 ILE 20 HG22 ILE 20 -3.246 -6.078 2.835 151 HG23 ILE 20 HG23 ILE 20 -3.255 -4.430 2.162 152 HD11 ILE 20 HD11 ILE 20 -6.766 -3.990 1.219 153 HD12 ILE 20 HD12 ILE 20 -5.380 -3.165 1.917 154 HD13 ILE 20 HD13 ILE 20 -5.132 -4.625 0.932 155 H LEU 21 HN LEU 21 -4.292 -3.598 6.769 156 HA LEU 21 HA LEU 21 -1.616 -3.380 6.766 157 HB2 LEU 21 HB2 LEU 21 -3.784 -2.523 8.567 158 HB3 LEU 21 HB3 LEU 21 -2.306 -2.776 9.454 159 HG LEU 21 HG LEU 21 -2.465 -0.499 8.921 160 HD11 LEU 21 HD11 LEU 21 -0.373 -0.070 7.804 161 HD12 LEU 21 HD12 LEU 21 -0.435 -1.569 6.880 162 HD13 LEU 21 HD13 LEU 21 -0.184 -1.614 8.642 163 HD21 LEU 21 HD21 LEU 21 -2.611 0.435 6.701 164 HD22 LEU 21 HD22 LEU 21 -4.026 -0.500 7.186 165 HD23 LEU 21 HD23 LEU 21 -2.859 -1.197 6.019 166 H GLY 22 HN GLY 22 -3.347 -5.542 9.007 167 HA2 GLY 22 HA1 GLY 22 -0.949 -6.385 10.360 168 HA3 GLY 22 HA2 GLY 22 -2.542 -7.141 10.487 169 H ALA 23 HN ALA 23 -2.271 -7.418 7.297 170 HA ALA 23 HA ALA 23 -0.733 -9.985 7.399 171 HB1 ALA 23 HB1 ALA 23 -3.327 -9.300 6.002 172 HB2 ALA 23 HB2 ALA 23 -2.434 -10.818 5.800 173 HB3 ALA 23 HB3 ALA 23 -3.152 -10.409 7.386 174 H LEU 24 HN LEU 24 -0.528 -6.979 6.161 175 HA LEU 24 HA LEU 24 1.045 -8.091 3.926 176 HB2 LEU 24 HB2 LEU 24 -1.074 -6.571 3.563 177 HB3 LEU 24 HB3 LEU 24 0.037 -5.242 3.881 178 HG LEU 24 HG LEU 24 0.351 -7.459 1.812 179 HD11 LEU 24 HD11 LEU 24 -0.230 -5.742 0.098 180 HD12 LEU 24 HD12 LEU 24 -0.625 -4.604 1.408 181 HD13 LEU 24 HD13 LEU 24 -1.553 -6.116 1.197 182 HD21 LEU 24 HD21 LEU 24 1.933 -4.870 2.057 183 HD22 LEU 24 HD22 LEU 24 2.024 -6.024 0.694 184 HD23 LEU 24 HD23 LEU 24 2.537 -6.526 2.298 185 H ALA 25 HN ALA 25 2.052 -8.064 6.523 186 HA ALA 25 HA ALA 25 4.132 -5.918 6.440 187 HB1 ALA 25 HB1 ALA 25 2.442 -5.244 8.014 188 HB2 ALA 25 HB2 ALA 25 2.472 -6.850 8.794 189 HB3 ALA 25 HB3 ALA 25 3.880 -5.788 8.906 190 HA PRO 26 HA PRO 26 6.093 -10.090 7.348 191 HB2 PRO 26 HB2 PRO 26 7.242 -10.774 4.965 192 HB3 PRO 26 HB3 PRO 26 5.543 -11.171 5.370 193 HG2 PRO 26 HG2 PRO 26 6.556 -8.803 3.756 194 HG3 PRO 26 HG3 PRO 26 5.257 -9.954 3.317 195 HD2 PRO 26 HD2 PRO 26 4.734 -7.528 4.487 196 HD3 PRO 26 HD3 PRO 26 3.792 -8.990 4.863 197 H TYR 27 HN TYR 27 7.193 -7.177 5.689 198 HA TYR 27 HA TYR 27 9.992 -7.648 6.668 199 HB2 TYR 27 HB2 TYR 27 9.300 -6.228 4.107 200 HB3 TYR 27 HB3 TYR 27 10.875 -6.810 4.625 201 HD1 TYR 27 HD1 TYR 27 8.249 -7.249 2.405 202 HD2 TYR 27 HD2 TYR 27 10.897 -9.563 4.887 203 HE1 TYR 27 HE1 TYR 27 7.897 -9.208 0.943 204 HE2 TYR 27 HE2 TYR 27 10.535 -11.537 3.447 205 HH TYR 27 HH TYR 27 9.721 -12.179 1.230 206 H ALA 28 HN ALA 28 7.340 -5.365 6.289 207 HA ALA 28 HA ALA 28 8.808 -3.288 7.768 208 HB1 ALA 28 HB1 ALA 28 8.954 -2.319 5.595 209 HB2 ALA 28 HB2 ALA 28 7.390 -2.991 5.079 210 HB3 ALA 28 HB3 ALA 28 7.466 -1.640 6.242 211 H VAL 29 HN VAL 29 7.553 -2.840 9.518 212 HA VAL 29 HA VAL 29 4.922 -4.157 9.565 213 HB VAL 29 HB VAL 29 6.622 -3.242 11.900 214 HG11 VAL 29 HG11 VAL 29 4.222 -3.553 12.435 215 HG12 VAL 29 HG12 VAL 29 4.227 -5.132 11.620 216 HG13 VAL 29 HG13 VAL 29 5.162 -4.890 13.105 217 HG21 VAL 29 HG21 VAL 29 7.106 -5.738 12.074 218 HG22 VAL 29 HG22 VAL 29 6.415 -5.923 10.453 219 HG23 VAL 29 HG23 VAL 29 7.877 -4.952 10.701 220 H LEU 30 HN LEU 30 4.207 -2.585 8.188 221 HA LEU 30 HA LEU 30 4.147 0.159 8.419 222 HB2 LEU 30 HB2 LEU 30 1.908 -1.620 7.394 223 HB3 LEU 30 HB3 LEU 30 2.118 0.080 6.980 224 HG LEU 30 HG LEU 30 3.895 -2.250 6.145 225 HD11 LEU 30 HD11 LEU 30 2.961 -1.890 3.976 226 HD12 LEU 30 HD12 LEU 30 2.197 -0.360 4.471 227 HD13 LEU 30 HD13 LEU 30 1.584 -1.906 5.101 228 HD21 LEU 30 HD21 LEU 30 5.065 -0.553 4.726 229 HD22 LEU 30 HD22 LEU 30 5.318 -0.282 6.455 230 HD23 LEU 30 HD23 LEU 30 4.166 0.736 5.564 231 H SER 31 HN SER 31 2.517 1.727 9.069 232 HA SER 31 HA SER 31 0.463 0.693 10.962 233 HB2 SER 31 HB2 SER 31 2.285 2.082 11.918 234 HB3 SER 31 HB3 SER 31 1.747 3.434 10.912 235 HG SER 31 HG SER 31 0.758 3.660 12.843 236 H SER 32 HN SER 32 -1.420 1.908 11.099 237 HA SER 32 HA SER 32 -2.969 2.319 8.815 238 HB2 SER 32 HB2 SER 32 -3.382 3.623 11.535 239 HB3 SER 32 HB3 SER 32 -4.611 3.135 10.351 240 HG SER 32 HG SER 32 -4.442 1.662 12.107 241 H SER 33 HN SER 33 -0.684 4.511 10.353 242 HA SER 33 HA SER 33 -1.716 6.945 9.155 243 HB2 SER 33 HB2 SER 33 0.635 7.695 9.980 244 HB3 SER 33 HB3 SER 33 -0.604 7.293 11.178 245 HG SER 33 HG SER 33 0.557 5.686 11.850 246 H ASN 34 HN ASN 34 1.216 4.882 8.658 247 HA ASN 34 HA ASN 34 2.368 6.235 6.565 248 HB2 ASN 34 HB2 ASN 34 2.277 3.210 6.989 249 HB3 ASN 34 HB3 ASN 34 3.428 4.047 5.951 250 HD21 ASN 34 HD21 ASN 34 5.044 5.445 6.945 251 HD22 ASN 34 HD22 ASN 34 5.441 5.187 8.643 252 H VAL 35 HN VAL 35 -0.121 3.757 6.480 253 HA VAL 35 HA VAL 35 -0.276 3.733 3.551 254 HB VAL 35 HB VAL 35 -2.082 2.372 5.594 255 HG11 VAL 35 HG11 VAL 35 -2.856 2.479 3.195 256 HG12 VAL 35 HG12 VAL 35 -1.375 1.644 2.702 257 HG13 VAL 35 HG13 VAL 35 -2.558 0.826 3.754 258 HG21 VAL 35 HG21 VAL 35 0.127 1.549 6.115 259 HG22 VAL 35 HG22 VAL 35 -0.647 0.314 5.128 260 HG23 VAL 35 HG23 VAL 35 0.560 1.401 4.421 261 H ARG 36 HN ARG 36 -1.193 5.491 2.658 262 HA ARG 36 HA ARG 36 -3.644 6.707 3.814 263 HB2 ARG 36 HB2 ARG 36 -1.527 7.586 1.913 264 HB3 ARG 36 HB3 ARG 36 -3.144 7.922 1.337 265 HG2 ARG 36 HG2 ARG 36 -2.102 8.795 4.067 266 HG3 ARG 36 HG3 ARG 36 -2.071 9.782 2.620 267 HD2 ARG 36 HD2 ARG 36 -4.642 9.251 2.470 268 HD3 ARG 36 HD3 ARG 36 -4.480 8.946 4.208 269 HE ARG 36 HE ARG 36 -4.307 11.461 2.736 270 HH11 ARG 36 HH11 ARG 36 -3.439 10.018 5.934 271 HH12 ARG 36 HH12 ARG 36 -4.002 11.453 6.750 272 HH21 ARG 36 HH21 ARG 36 -4.573 13.381 3.896 273 HH22 ARG 36 HH22 ARG 36 -4.204 13.448 5.601 274 H VAL 37 HN VAL 37 -5.549 5.919 3.153 275 HA VAL 37 HA VAL 37 -5.867 4.849 0.413 276 HB VAL 37 HB VAL 37 -7.127 3.674 2.927 277 HG11 VAL 37 HG11 VAL 37 -7.987 1.921 1.291 278 HG12 VAL 37 HG12 VAL 37 -8.752 3.500 1.094 279 HG13 VAL 37 HG13 VAL 37 -7.481 2.991 -0.042 280 HG21 VAL 37 HG21 VAL 37 -4.680 3.006 2.213 281 HG22 VAL 37 HG22 VAL 37 -5.857 1.740 2.484 282 HG23 VAL 37 HG23 VAL 37 -5.438 2.235 0.831 283 H ILE 38 HN ILE 38 -7.065 6.206 -0.638 284 HA ILE 38 HA ILE 38 -8.815 8.171 0.611 285 HB ILE 38 HB ILE 38 -8.520 7.377 -2.321 286 HG12 ILE 38 HG12 ILE 38 -7.024 9.427 -0.636 287 HG13 ILE 38 HG13 ILE 38 -6.344 8.073 -1.532 288 HG21 ILE 38 HG21 ILE 38 -10.628 8.618 -1.679 289 HG22 ILE 38 HG22 ILE 38 -9.607 9.914 -1.020 290 HG23 ILE 38 HG23 ILE 38 -9.588 9.544 -2.754 291 HD11 ILE 38 HD11 ILE 38 -7.535 10.602 -2.700 292 HD12 ILE 38 HD12 ILE 38 -5.850 10.087 -2.716 293 HD13 ILE 38 HD13 ILE 38 -7.049 9.183 -3.667 294 H LYS 39 HN LYS 39 -10.535 7.286 1.660 295 HA LYS 39 HA LYS 39 -12.061 5.089 0.397 296 HB2 LYS 39 HB2 LYS 39 -12.562 6.543 3.021 297 HB3 LYS 39 HB3 LYS 39 -13.523 5.229 2.354 298 HG2 LYS 39 HG2 LYS 39 -11.856 3.599 2.623 299 HG3 LYS 39 HG3 LYS 39 -10.559 4.783 2.834 300 HD2 LYS 39 HD2 LYS 39 -11.282 5.415 4.999 301 HD3 LYS 39 HD3 LYS 39 -12.837 4.590 4.806 302 HE2 LYS 39 HE2 LYS 39 -11.610 2.398 4.635 303 HE3 LYS 39 HE3 LYS 39 -10.125 3.249 5.064 304 HZ1 LYS 39 HZ1 LYS 39 -11.299 2.168 6.944 305 HZ2 LYS 39 HZ2 LYS 39 -12.535 3.242 6.784 306 HZ3 LYS 39 HZ3 LYS 39 -11.015 3.747 7.185 307 H ASP 40 HN ASP 40 -13.927 5.492 -0.759 308 HA ASP 40 HA ASP 40 -14.413 8.170 -1.721 309 HB2 ASP 40 HB2 ASP 40 -14.923 5.876 -2.829 310 HB3 ASP 40 HB3 ASP 40 -16.301 5.816 -1.707 311 H LYS 41 HN LYS 41 -15.872 9.726 -0.960 312 HA LYS 41 HA LYS 41 -17.088 9.417 1.630 313 HB2 LYS 41 HB2 LYS 41 -17.053 11.534 -0.492 314 HB3 LYS 41 HB3 LYS 41 -18.476 11.512 0.545 315 HG2 LYS 41 HG2 LYS 41 -17.051 11.501 2.568 316 HG3 LYS 41 HG3 LYS 41 -15.606 11.616 1.546 317 HD2 LYS 41 HD2 LYS 41 -16.162 13.825 0.832 318 HD3 LYS 41 HD3 LYS 41 -17.841 13.674 1.373 319 HE2 LYS 41 HE2 LYS 41 -17.111 13.527 3.723 320 HE3 LYS 41 HE3 LYS 41 -15.420 13.687 3.223 321 HZ1 LYS 41 HZ1 LYS 41 -15.909 15.875 2.398 322 HZ2 LYS 41 HZ2 LYS 41 -16.402 15.770 3.969 323 HZ3 LYS 41 HZ3 LYS 41 -17.509 15.742 2.780 324 H GLN 42 HN GLN 42 -18.341 8.550 -1.522 325 HA GLN 42 HA GLN 42 -21.114 8.762 -0.532 326 HB2 GLN 42 HB2 GLN 42 -20.178 8.018 -3.223 327 HB3 GLN 42 HB3 GLN 42 -21.836 8.360 -2.728 328 HG2 GLN 42 HG2 GLN 42 -21.045 10.678 -2.013 329 HG3 GLN 42 HG3 GLN 42 -19.481 10.302 -2.744 330 HE21 GLN 42 HE21 GLN 42 -22.925 10.939 -3.436 331 HE22 GLN 42 HE22 GLN 42 -22.623 11.363 -5.120 332 H THR 43 HN THR 43 -18.890 6.327 -1.916 333 HA THR 43 HA THR 43 -20.921 4.280 -1.233 334 HB THR 43 HB THR 43 -19.885 4.196 -3.411 335 HG1 THR 43 HG1 THR 43 -20.641 2.279 -2.566 336 HG21 THR 43 HG21 THR 43 -17.594 3.414 -3.790 337 HG22 THR 43 HG22 THR 43 -17.253 3.911 -2.130 338 HG23 THR 43 HG23 THR 43 -17.838 5.078 -3.336 339 H GLN 44 HN GLN 44 -18.133 5.548 0.345 340 HA GLN 44 HA GLN 44 -17.019 4.981 2.194 341 HB2 GLN 44 HB2 GLN 44 -18.784 2.504 2.542 342 HB3 GLN 44 HB3 GLN 44 -17.661 3.139 3.683 343 HG2 GLN 44 HG2 GLN 44 -20.041 4.790 2.745 344 HG3 GLN 44 HG3 GLN 44 -20.142 3.614 4.047 345 HE21 GLN 44 HE21 GLN 44 -19.921 6.842 3.665 346 HE22 GLN 44 HE22 GLN 44 -18.949 7.249 5.070 347 H LEU 45 HN LEU 45 -17.111 3.008 -0.623 348 HA LEU 45 HA LEU 45 -15.184 1.001 0.190 349 HB2 LEU 45 HB2 LEU 45 -15.379 2.153 -2.602 350 HB3 LEU 45 HB3 LEU 45 -14.891 0.528 -2.134 351 HG LEU 45 HG LEU 45 -17.665 1.689 -1.962 352 HD11 LEU 45 HD11 LEU 45 -18.162 0.212 -3.836 353 HD12 LEU 45 HD12 LEU 45 -16.491 -0.385 -3.835 354 HD13 LEU 45 HD13 LEU 45 -16.814 1.317 -4.213 355 HD21 LEU 45 HD21 LEU 45 -16.680 -1.088 -1.204 356 HD22 LEU 45 HD22 LEU 45 -18.375 -0.685 -1.529 357 HD23 LEU 45 HD23 LEU 45 -17.517 0.078 -0.182 358 H ASN 46 HN ASN 46 -13.057 0.993 -1.239 359 HA ASN 46 HA ASN 46 -11.473 3.457 -0.766 360 HB2 ASN 46 HB2 ASN 46 -10.254 0.979 -1.944 361 HB3 ASN 46 HB3 ASN 46 -9.516 2.193 -0.960 362 HD21 ASN 46 HD21 ASN 46 -10.608 -0.996 -0.915 363 HD22 ASN 46 HD22 ASN 46 -10.933 -0.981 0.793 364 H ARG 47 HN ARG 47 -9.891 3.877 -2.677 365 HA ARG 47 HA ARG 47 -11.364 3.901 -5.253 366 HB2 ARG 47 HB2 ARG 47 -8.895 5.382 -4.345 367 HB3 ARG 47 HB3 ARG 47 -9.646 5.489 -5.938 368 HG2 ARG 47 HG2 ARG 47 -11.857 5.846 -4.257 369 HG3 ARG 47 HG3 ARG 47 -10.560 6.633 -3.360 370 HD2 ARG 47 HD2 ARG 47 -11.626 8.244 -4.727 371 HD3 ARG 47 HD3 ARG 47 -10.001 7.938 -5.407 372 HE ARG 47 HE ARG 47 -11.820 6.216 -6.697 373 HH11 ARG 47 HH11 ARG 47 -11.256 9.716 -6.548 374 HH12 ARG 47 HH12 ARG 47 -11.954 10.044 -8.097 375 HH21 ARG 47 HH21 ARG 47 -12.674 6.562 -8.669 376 HH22 ARG 47 HH22 ARG 47 -12.762 8.133 -9.415 377 H GLY 48 HN GLY 48 -9.847 1.348 -4.144 378 HA2 GLY 48 HA1 GLY 48 -8.747 -0.379 -5.143 379 HA3 GLY 48 HA2 GLY 48 -9.032 0.433 -6.667 380 H PHE 49 HN PHE 49 -7.126 2.303 -4.427 381 HA PHE 49 HA PHE 49 -4.568 1.109 -5.081 382 HB2 PHE 49 HB2 PHE 49 -3.530 3.215 -5.767 383 HB3 PHE 49 HB3 PHE 49 -4.706 2.633 -6.919 384 HD1 PHE 49 HD1 PHE 49 -6.552 4.003 -7.536 385 HD2 PHE 49 HD2 PHE 49 -4.029 5.165 -4.268 386 HE1 PHE 49 HE1 PHE 49 -7.739 6.189 -7.418 387 HE2 PHE 49 HE2 PHE 49 -5.250 7.346 -4.112 388 HZ PHE 49 HZ PHE 49 -7.103 7.846 -5.677 389 H ALA 50 HN ALA 50 -2.860 2.397 -3.709 390 HA ALA 50 HA ALA 50 -3.932 3.919 -1.486 391 HB1 ALA 50 HB1 ALA 50 -2.233 1.490 -0.827 392 HB2 ALA 50 HB2 ALA 50 -3.070 2.564 0.285 393 HB3 ALA 50 HB3 ALA 50 -4.008 1.439 -0.725 394 H PHE 51 HN PHE 51 -2.013 4.684 -0.156 395 HA PHE 51 HA PHE 51 0.523 4.915 -1.712 396 HB2 PHE 51 HB2 PHE 51 -0.934 7.104 -0.172 397 HB3 PHE 51 HB3 PHE 51 0.579 7.287 -1.009 398 HD1 PHE 51 HD1 PHE 51 0.127 6.170 -3.687 399 HD2 PHE 51 HD2 PHE 51 -2.543 8.404 -1.135 400 HE1 PHE 51 HE1 PHE 51 -1.179 6.897 -5.669 401 HE2 PHE 51 HE2 PHE 51 -3.793 9.168 -3.093 402 HZ PHE 51 HZ PHE 51 -3.130 8.398 -5.386 403 H ILE 52 HN ILE 52 1.785 3.602 -0.381 404 HA ILE 52 HA ILE 52 1.741 3.925 2.565 405 HB ILE 52 HB ILE 52 3.540 2.367 0.690 406 HG12 ILE 52 HG12 ILE 52 1.261 1.389 2.416 407 HG13 ILE 52 HG13 ILE 52 1.190 1.507 0.664 408 HG21 ILE 52 HG21 ILE 52 4.601 2.968 2.895 409 HG22 ILE 52 HG22 ILE 52 3.290 2.068 3.713 410 HG23 ILE 52 HG23 ILE 52 4.443 1.247 2.641 411 HD11 ILE 52 HD11 ILE 52 3.067 -0.373 2.148 412 HD12 ILE 52 HD12 ILE 52 1.571 -0.802 1.336 413 HD13 ILE 52 HD13 ILE 52 2.932 -0.164 0.388 414 H GLN 53 HN GLN 53 3.281 5.585 3.526 415 HA GLN 53 HA GLN 53 5.613 6.042 1.941 416 HB2 GLN 53 HB2 GLN 53 5.541 8.301 2.513 417 HB3 GLN 53 HB3 GLN 53 4.459 7.933 1.185 418 HG2 GLN 53 HG2 GLN 53 3.704 8.400 4.078 419 HG3 GLN 53 HG3 GLN 53 3.787 9.687 2.872 420 HE21 GLN 53 HE21 GLN 53 2.587 7.305 1.071 421 HE22 GLN 53 HE22 GLN 53 0.928 7.204 1.591 422 H LEU 54 HN LEU 54 7.362 6.441 3.224 423 HA LEU 54 HA LEU 54 7.033 5.788 6.119 424 HB2 LEU 54 HB2 LEU 54 8.851 4.444 4.105 425 HB3 LEU 54 HB3 LEU 54 8.894 4.130 5.808 426 HG LEU 54 HG LEU 54 6.242 3.709 4.452 427 HD11 LEU 54 HD11 LEU 54 7.718 2.640 2.852 428 HD12 LEU 54 HD12 LEU 54 6.888 1.408 3.807 429 HD13 LEU 54 HD13 LEU 54 8.587 1.792 4.157 430 HD21 LEU 54 HD21 LEU 54 5.989 2.041 6.129 431 HD22 LEU 54 HD22 LEU 54 6.734 3.414 6.949 432 HD23 LEU 54 HD23 LEU 54 7.723 2.020 6.482 433 H SER 55 HN SER 55 9.544 5.695 6.887 434 HA SER 55 HA SER 55 11.069 8.092 6.478 435 HB2 SER 55 HB2 SER 55 11.371 5.372 7.541 436 HB3 SER 55 HB3 SER 55 12.870 5.986 6.847 437 HG SER 55 HG SER 55 13.020 7.121 8.613 438 H THR 56 HN THR 56 12.592 8.536 4.923 439 HA THR 56 HA THR 56 12.426 7.864 2.308 440 HB THR 56 HB THR 56 14.911 8.673 2.319 441 HG1 THR 56 HG1 THR 56 14.945 9.792 4.650 442 HG21 THR 56 HG21 THR 56 12.721 10.315 3.662 443 HG22 THR 56 HG22 THR 56 13.113 10.258 1.935 444 HG23 THR 56 HG23 THR 56 14.246 10.972 3.086 445 H ILE 57 HN ILE 57 15.085 6.675 4.274 446 HA ILE 57 HA ILE 57 16.013 4.706 2.501 447 HB ILE 57 HB ILE 57 16.267 4.717 5.539 448 HG12 ILE 57 HG12 ILE 57 16.821 6.945 4.835 449 HG13 ILE 57 HG13 ILE 57 18.256 6.093 5.313 450 HG21 ILE 57 HG21 ILE 57 18.097 3.596 3.380 451 HG22 ILE 57 HG22 ILE 57 18.529 3.755 5.104 452 HG23 ILE 57 HG23 ILE 57 17.196 2.716 4.628 453 HD11 ILE 57 HD11 ILE 57 18.879 5.766 2.927 454 HD12 ILE 57 HD12 ILE 57 17.384 6.589 2.422 455 HD13 ILE 57 HD13 ILE 57 18.629 7.479 3.306 456 H GLU 58 HN GLU 58 13.702 4.473 5.162 457 HA GLU 58 HA GLU 58 13.431 1.679 5.294 458 HB2 GLU 58 HB2 GLU 58 11.518 3.917 5.915 459 HB3 GLU 58 HB3 GLU 58 11.092 2.255 6.196 460 HG2 GLU 58 HG2 GLU 58 13.661 3.436 7.342 461 HG3 GLU 58 HG3 GLU 58 12.090 3.578 8.138 462 H ALA 59 HN ALA 59 11.455 4.055 3.486 463 HA ALA 59 HA ALA 59 9.859 2.185 2.041 464 HB1 ALA 59 HB1 ALA 59 10.762 5.030 1.388 465 HB2 ALA 59 HB2 ALA 59 9.601 4.122 0.416 466 HB3 ALA 59 HB3 ALA 59 9.203 4.548 2.073 467 H ALA 60 HN ALA 60 12.851 3.916 1.010 468 HA ALA 60 HA ALA 60 12.803 2.799 -1.590 469 HB1 ALA 60 HB1 ALA 60 15.033 3.819 -1.823 470 HB2 ALA 60 HB2 ALA 60 13.893 4.906 -1.009 471 HB3 ALA 60 HB3 ALA 60 15.127 4.043 -0.058 472 H GLN 61 HN GLN 61 14.406 1.534 1.367 473 HA GLN 61 HA GLN 61 15.851 -0.550 -0.088 474 HB2 GLN 61 HB2 GLN 61 14.934 -0.267 2.796 475 HB3 GLN 61 HB3 GLN 61 15.868 -1.643 2.192 476 HG2 GLN 61 HG2 GLN 61 17.728 -0.194 1.559 477 HG3 GLN 61 HG3 GLN 61 16.855 1.241 2.075 478 HE21 GLN 61 HE21 GLN 61 15.709 0.554 4.416 479 HE22 GLN 61 HE22 GLN 61 16.856 0.171 5.658 480 H LEU 62 HN LEU 62 12.863 -0.507 1.944 481 HA LEU 62 HA LEU 62 12.196 -3.137 1.751 482 HB2 LEU 62 HB2 LEU 62 11.190 -1.274 3.135 483 HB3 LEU 62 HB3 LEU 62 10.153 -0.868 1.791 484 HG LEU 62 HG LEU 62 8.954 -2.088 3.312 485 HD11 LEU 62 HD11 LEU 62 8.489 -2.807 0.976 486 HD12 LEU 62 HD12 LEU 62 8.011 -3.936 2.256 487 HD13 LEU 62 HD13 LEU 62 9.466 -4.263 1.312 488 HD21 LEU 62 HD21 LEU 62 10.951 -4.398 3.214 489 HD22 LEU 62 HD22 LEU 62 9.583 -4.157 4.320 490 HD23 LEU 62 HD23 LEU 62 10.991 -3.126 4.454 491 H LEU 63 HN LEU 63 11.244 -0.546 -0.467 492 HA LEU 63 HA LEU 63 9.499 -1.834 -2.165 493 HB2 LEU 63 HB2 LEU 63 10.106 0.557 -2.365 494 HB3 LEU 63 HB3 LEU 63 11.771 0.127 -2.729 495 HG LEU 63 HG LEU 63 10.777 -1.092 -4.861 496 HD11 LEU 63 HD11 LEU 63 8.402 -0.887 -4.104 497 HD12 LEU 63 HD12 LEU 63 8.703 -0.154 -5.687 498 HD13 LEU 63 HD13 LEU 63 8.536 0.877 -4.246 499 HD21 LEU 63 HD21 LEU 63 12.250 0.843 -4.906 500 HD22 LEU 63 HD22 LEU 63 10.897 1.894 -4.537 501 HD23 LEU 63 HD23 LEU 63 10.948 1.018 -6.096 502 H GLN 64 HN GLN 64 13.103 -1.849 -2.339 503 HA GLN 64 HA GLN 64 13.146 -3.373 -4.785 504 HB2 GLN 64 HB2 GLN 64 15.266 -2.672 -2.665 505 HB3 GLN 64 HB3 GLN 64 15.643 -3.675 -4.066 506 HG2 GLN 64 HG2 GLN 64 14.755 -0.780 -4.078 507 HG3 GLN 64 HG3 GLN 64 16.302 -1.461 -4.609 508 HE21 GLN 64 HE21 GLN 64 13.144 -0.627 -5.540 509 HE22 GLN 64 HE22 GLN 64 13.009 -1.490 -7.065 510 H ILE 65 HN ILE 65 13.223 -4.186 -1.419 511 HA ILE 65 HA ILE 65 13.992 -6.934 -1.645 512 HB ILE 65 HB ILE 65 12.048 -5.748 0.390 513 HG12 ILE 65 HG12 ILE 65 15.084 -6.074 0.531 514 HG13 ILE 65 HG13 ILE 65 14.225 -4.548 0.373 515 HG21 ILE 65 HG21 ILE 65 13.746 -8.258 0.571 516 HG22 ILE 65 HG22 ILE 65 12.658 -7.628 1.825 517 HG23 ILE 65 HG23 ILE 65 11.979 -8.193 0.328 518 HD11 ILE 65 HD11 ILE 65 13.057 -5.096 2.586 519 HD12 ILE 65 HD12 ILE 65 14.299 -6.353 2.791 520 HD13 ILE 65 HD13 ILE 65 14.765 -4.653 2.641 521 H LEU 66 HN LEU 66 10.722 -5.411 -1.720 522 HA LEU 66 HA LEU 66 9.267 -7.784 -2.281 523 HB2 LEU 66 HB2 LEU 66 8.532 -5.053 -3.404 524 HB3 LEU 66 HB3 LEU 66 7.455 -6.385 -3.015 525 HG LEU 66 HG LEU 66 8.893 -4.554 -1.079 526 HD11 LEU 66 HD11 LEU 66 5.953 -4.978 -1.694 527 HD12 LEU 66 HD12 LEU 66 6.944 -3.588 -2.196 528 HD13 LEU 66 HD13 LEU 66 6.618 -3.873 -0.475 529 HD21 LEU 66 HD21 LEU 66 7.610 -5.737 0.722 530 HD22 LEU 66 HD22 LEU 66 8.869 -6.736 -0.023 531 HD23 LEU 66 HD23 LEU 66 7.162 -6.977 -0.468 532 H GLN 67 HN GLN 67 11.185 -5.849 -4.447 533 HA GLN 67 HA GLN 67 9.795 -6.808 -6.867 534 HB2 GLN 67 HB2 GLN 67 12.109 -4.878 -6.406 535 HB3 GLN 67 HB3 GLN 67 11.523 -5.339 -8.014 536 HG2 GLN 67 HG2 GLN 67 9.263 -4.595 -7.417 537 HG3 GLN 67 HG3 GLN 67 9.853 -3.962 -5.885 538 HE21 GLN 67 HE21 GLN 67 8.617 -2.167 -7.796 539 HE22 GLN 67 HE22 GLN 67 9.881 -1.177 -8.446 540 H ALA 68 HN ALA 68 11.648 -8.446 -4.963 541 HA ALA 68 HA ALA 68 13.147 -9.820 -7.157 542 HB1 ALA 68 HB1 ALA 68 15.164 -9.810 -5.741 543 HB2 ALA 68 HB2 ALA 68 14.602 -8.162 -6.070 544 HB3 ALA 68 HB3 ALA 68 14.293 -8.906 -4.483 545 H LEU 69 HN LEU 69 10.752 -10.493 -5.202 546 HA LEU 69 HA LEU 69 11.735 -13.169 -4.431 547 HB2 LEU 69 HB2 LEU 69 10.744 -12.876 -2.155 548 HB3 LEU 69 HB3 LEU 69 12.166 -11.926 -2.503 549 HG LEU 69 HG LEU 69 10.583 -9.942 -3.008 550 HD11 LEU 69 HD11 LEU 69 8.592 -11.808 -1.754 551 HD12 LEU 69 HD12 LEU 69 8.485 -10.778 -3.222 552 HD13 LEU 69 HD13 LEU 69 8.453 -10.038 -1.636 553 HD21 LEU 69 HD21 LEU 69 10.929 -11.105 -0.244 554 HD22 LEU 69 HD22 LEU 69 10.378 -9.436 -0.585 555 HD23 LEU 69 HD23 LEU 69 11.973 -9.973 -1.114 556 H HIS 70 HN HIS 70 9.596 -14.228 -3.245 557 HA HIS 70 HA HIS 70 7.832 -15.055 -5.200 558 HB2 HIS 70 HB2 HIS 70 7.954 -15.001 -2.228 559 HB3 HIS 70 HB3 HIS 70 6.318 -15.100 -2.846 560 HD1 HIS 70 HD1 HIS 70 5.963 -17.528 -1.962 561 HD2 HIS 70 HD2 HIS 70 9.212 -17.032 -4.590 562 HE1 HIS 70 HE1 HIS 70 6.723 -19.870 -2.616 563 HA PRO 71 HA PRO 71 4.987 -11.804 -5.869 564 HB2 PRO 71 HB2 PRO 71 2.573 -12.981 -6.332 565 HB3 PRO 71 HB3 PRO 71 3.959 -13.136 -7.452 566 HG2 PRO 71 HG2 PRO 71 3.127 -15.078 -5.263 567 HG3 PRO 71 HG3 PRO 71 3.464 -15.446 -6.988 568 HD2 PRO 71 HD2 PRO 71 5.371 -15.773 -5.085 569 HD3 PRO 71 HD3 PRO 71 5.798 -15.084 -6.692 570 HA PRO 72 HA PRO 72 3.107 -10.639 -2.151 571 HB2 PRO 72 HB2 PRO 72 0.985 -8.979 -2.955 572 HB3 PRO 72 HB3 PRO 72 2.716 -8.556 -2.811 573 HG2 PRO 72 HG2 PRO 72 1.102 -9.199 -5.229 574 HG3 PRO 72 HG3 PRO 72 2.505 -8.120 -5.077 575 HD2 PRO 72 HD2 PRO 72 2.544 -10.691 -6.139 576 HD3 PRO 72 HD3 PRO 72 3.973 -9.863 -5.472 577 H LEU 73 HN LEU 73 1.317 -10.622 -0.728 578 HA LEU 73 HA LEU 73 -0.297 -13.090 -0.814 579 HB2 LEU 73 HB2 LEU 73 1.410 -12.767 0.908 580 HB3 LEU 73 HB3 LEU 73 0.613 -11.297 1.455 581 HG LEU 73 HG LEU 73 0.253 -13.317 2.836 582 HD11 LEU 73 HD11 LEU 73 -2.033 -12.869 3.341 583 HD12 LEU 73 HD12 LEU 73 -2.344 -12.403 1.676 584 HD13 LEU 73 HD13 LEU 73 -1.351 -11.362 2.718 585 HD21 LEU 73 HD21 LEU 73 0.118 -15.018 1.028 586 HD22 LEU 73 HD22 LEU 73 -1.496 -14.395 0.598 587 HD23 LEU 73 HD23 LEU 73 -1.222 -15.109 2.190 588 H THR 74 HN THR 74 -2.363 -12.996 -1.152 589 HA THR 74 HA THR 74 -3.750 -10.375 -1.265 590 HB THR 74 HB THR 74 -4.219 -11.354 -3.234 591 HG1 THR 74 HG1 THR 74 -6.178 -12.873 -2.128 592 HG21 THR 74 HG21 THR 74 -4.483 -14.115 -2.000 593 HG22 THR 74 HG22 THR 74 -3.096 -13.549 -2.978 594 HG23 THR 74 HG23 THR 74 -4.684 -13.654 -3.715 595 H ILE 75 HN ILE 75 -5.617 -10.013 0.040 596 HA ILE 75 HA ILE 75 -6.371 -12.078 2.025 597 HB ILE 75 HB ILE 75 -6.397 -9.155 2.800 598 HG12 ILE 75 HG12 ILE 75 -4.197 -9.800 4.072 599 HG13 ILE 75 HG13 ILE 75 -3.903 -10.888 2.766 600 HG21 ILE 75 HG21 ILE 75 -6.233 -10.065 5.042 601 HG22 ILE 75 HG22 ILE 75 -7.495 -10.948 4.200 602 HG23 ILE 75 HG23 ILE 75 -5.907 -11.705 4.408 603 HD11 ILE 75 HD11 ILE 75 -4.425 -7.904 2.468 604 HD12 ILE 75 HD12 ILE 75 -2.807 -8.582 2.715 605 HD13 ILE 75 HD13 ILE 75 -3.724 -8.975 1.227 606 H ASP 76 HN ASP 76 -7.560 -11.141 -0.595 607 HA ASP 76 HA ASP 76 -10.223 -11.538 0.176 608 HB2 ASP 76 HB2 ASP 76 -9.945 -8.939 0.637 609 HB3 ASP 76 HB3 ASP 76 -10.090 -8.770 -1.078 610 H GLY 77 HN GLY 77 -8.348 -12.764 -1.502 611 HA2 GLY 77 HA1 GLY 77 -7.974 -13.599 -3.572 612 HA3 GLY 77 HA2 GLY 77 -9.605 -13.080 -3.989 613 H LYS 78 HN LYS 78 -7.492 -10.421 -3.139 614 HA LYS 78 HA LYS 78 -7.158 -9.782 -6.044 615 HB2 LYS 78 HB2 LYS 78 -7.570 -7.494 -5.482 616 HB3 LYS 78 HB3 LYS 78 -8.831 -8.481 -4.834 617 HG2 LYS 78 HG2 LYS 78 -6.769 -6.862 -3.390 618 HG3 LYS 78 HG3 LYS 78 -8.506 -6.905 -3.252 619 HD2 LYS 78 HD2 LYS 78 -8.337 -9.103 -2.185 620 HD3 LYS 78 HD3 LYS 78 -6.594 -8.962 -2.184 621 HE2 LYS 78 HE2 LYS 78 -8.459 -6.920 -0.979 622 HE3 LYS 78 HE3 LYS 78 -7.948 -8.313 -0.032 623 HZ1 LYS 78 HZ1 LYS 78 -6.089 -6.334 -1.154 624 HZ2 LYS 78 HZ2 LYS 78 -5.710 -7.551 -0.111 625 HZ3 LYS 78 HZ3 LYS 78 -6.694 -6.321 0.385 626 H THR 79 HN THR 79 -4.916 -10.512 -6.410 627 HA THR 79 HA THR 79 -2.929 -10.052 -4.454 628 HB THR 79 HB THR 79 -2.071 -9.901 -7.292 629 HG1 THR 79 HG1 THR 79 -3.196 -11.390 -8.035 630 HG21 THR 79 HG21 THR 79 -0.689 -10.394 -5.204 631 HG22 THR 79 HG22 THR 79 -0.454 -11.458 -6.591 632 HG23 THR 79 HG23 THR 79 -1.441 -11.994 -5.188 633 H ILE 80 HN ILE 80 -2.116 -8.154 -3.754 634 HA ILE 80 HA ILE 80 -2.732 -5.630 -5.008 635 HB ILE 80 HB ILE 80 -0.959 -6.385 -2.649 636 HG12 ILE 80 HG12 ILE 80 -3.231 -7.067 -2.142 637 HG13 ILE 80 HG13 ILE 80 -2.884 -5.605 -1.252 638 HG21 ILE 80 HG21 ILE 80 -1.238 -4.098 -1.827 639 HG22 ILE 80 HG22 ILE 80 -0.294 -4.191 -3.294 640 HG23 ILE 80 HG23 ILE 80 -1.984 -3.632 -3.378 641 HD11 ILE 80 HD11 ILE 80 -4.105 -4.318 -3.108 642 HD12 ILE 80 HD12 ILE 80 -4.597 -5.888 -3.761 643 HD13 ILE 80 HD13 ILE 80 -5.107 -5.395 -2.142 644 H ASN 81 HN ASN 81 -0.868 -4.032 -5.346 645 HA ASN 81 HA ASN 81 1.273 -5.279 -6.974 646 HB2 ASN 81 HB2 ASN 81 -1.007 -3.691 -7.975 647 HB3 ASN 81 HB3 ASN 81 0.495 -2.867 -8.286 648 HD21 ASN 81 HD21 ASN 81 -1.468 -5.622 -9.281 649 HD22 ASN 81 HD22 ASN 81 -0.212 -6.308 -10.281 650 H VAL 82 HN VAL 82 2.959 -3.553 -7.616 651 HA VAL 82 HA VAL 82 3.368 -1.671 -5.363 652 HB VAL 82 HB VAL 82 5.580 -3.370 -6.601 653 HG11 VAL 82 HG11 VAL 82 6.293 -1.271 -5.509 654 HG12 VAL 82 HG12 VAL 82 5.455 -1.766 -4.020 655 HG13 VAL 82 HG13 VAL 82 6.850 -2.692 -4.621 656 HG21 VAL 82 HG21 VAL 82 5.569 -4.712 -4.502 657 HG22 VAL 82 HG22 VAL 82 4.069 -3.902 -3.995 658 HG23 VAL 82 HG23 VAL 82 4.087 -4.957 -5.422 659 H GLU 83 HN GLU 83 4.220 0.296 -5.970 660 HA GLU 83 HA GLU 83 5.509 0.772 -8.535 661 HB2 GLU 83 HB2 GLU 83 2.821 1.793 -7.719 662 HB3 GLU 83 HB3 GLU 83 3.902 2.997 -8.365 663 HG2 GLU 83 HG2 GLU 83 3.355 0.448 -9.917 664 HG3 GLU 83 HG3 GLU 83 2.262 1.834 -9.917 665 H PHE 84 HN PHE 84 6.412 2.918 -8.392 666 HA PHE 84 HA PHE 84 7.113 3.755 -5.588 667 HB2 PHE 84 HB2 PHE 84 8.712 2.104 -6.409 668 HB3 PHE 84 HB3 PHE 84 9.028 3.058 -7.836 669 HD1 PHE 84 HD1 PHE 84 8.798 4.182 -4.215 670 HD2 PHE 84 HD2 PHE 84 11.354 3.487 -7.633 671 HE1 PHE 84 HE1 PHE 84 10.763 5.051 -2.963 672 HE2 PHE 84 HE2 PHE 84 13.262 4.352 -6.401 673 HZ PHE 84 HZ PHE 84 12.978 5.117 -4.004 674 H ALA 85 HN ALA 85 6.412 5.796 -5.453 675 HA ALA 85 HA ALA 85 7.159 7.766 -7.571 676 HB1 ALA 85 HB1 ALA 85 5.307 9.130 -6.569 677 HB2 ALA 85 HB2 ALA 85 4.786 7.659 -7.417 678 HB3 ALA 85 HB3 ALA 85 4.820 7.691 -5.638 679 H LYS 86 HN LYS 86 9.269 7.841 -6.721 680 HA LYS 86 HA LYS 86 9.644 8.918 -4.011 681 HB2 LYS 86 HB2 LYS 86 11.049 7.055 -5.337 682 HB3 LYS 86 HB3 LYS 86 11.901 8.423 -5.978 683 HG2 LYS 86 HG2 LYS 86 11.754 7.394 -3.163 684 HG3 LYS 86 HG3 LYS 86 13.168 7.829 -4.123 685 HD2 LYS 86 HD2 LYS 86 12.145 10.295 -3.874 686 HD3 LYS 86 HD3 LYS 86 11.293 9.551 -2.520 687 HE2 LYS 86 HE2 LYS 86 13.677 8.748 -1.795 688 HE3 LYS 86 HE3 LYS 86 14.264 9.951 -2.952 689 HZ1 LYS 86 HZ1 LYS 86 12.674 10.308 -0.543 690 HZ2 LYS 86 HZ2 LYS 86 12.676 11.488 -1.691 691 HZ3 LYS 86 HZ3 LYS 86 14.095 11.072 -0.931 692 H GLY 87 HN GLY 87 8.413 10.905 -4.631 693 HA2 GLY 87 HA1 GLY 87 9.522 12.545 -6.795 694 HA3 GLY 87 HA2 GLY 87 8.157 12.943 -5.770 695 H SER 88 HN SER 88 11.695 12.660 -5.790 696 HA SER 88 HA SER 88 12.205 14.275 -3.452 697 HB2 SER 88 HB2 SER 88 13.936 13.340 -5.676 698 HB3 SER 88 HB3 SER 88 14.550 14.160 -4.227 699 HG SER 88 HG SER 88 14.404 12.460 -3.132
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