NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
561697 | 2m6p | 19149 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 26 HT1 PRO 26 11.121 1.939 -0.094 2 H3 PRO 26 HT2 PRO 26 12.608 1.304 -0.316 3 HA PRO 26 HA PRO 26 12.915 2.494 -2.011 4 HB2 PRO 26 HB2 PRO 26 10.496 1.841 -3.551 5 HB3 PRO 26 HB1 PRO 26 12.201 1.606 -3.967 6 HG2 PRO 26 HG2 PRO 26 10.614 -0.453 -3.283 7 HG3 PRO 26 HG1 PRO 26 12.336 -0.407 -2.868 8 HD2 PRO 26 HD2 PRO 26 9.956 0.186 -1.143 9 HD3 PRO 26 HD1 PRO 26 11.420 -0.731 -0.753 10 H ARG 27 HN ARG 27 12.357 4.517 -2.968 11 HA ARG 27 HA ARG 27 10.420 5.955 -1.354 12 HB2 ARG 27 HB2 ARG 27 11.411 7.991 -2.415 13 HB3 ARG 27 HB1 ARG 27 12.557 7.014 -1.513 14 HG2 ARG 27 HG2 ARG 27 13.420 6.077 -3.569 15 HG3 ARG 27 HG1 ARG 27 12.225 6.971 -4.503 16 HD2 ARG 27 HD2 ARG 27 14.324 8.123 -4.623 17 HD3 ARG 27 HD1 ARG 27 13.209 9.077 -3.646 18 HE ARG 27 HE ARG 27 14.455 7.808 -1.726 19 HH11 ARG 27 HH11 ARG 27 15.805 9.172 -4.646 20 HH12 ARG 27 HH12 ARG 27 17.363 9.463 -3.943 21 HH21 ARG 27 HH21 ARG 27 16.498 8.175 -0.784 22 HH22 ARG 27 HH22 ARG 27 17.757 8.909 -1.738 23 H GLN 28 HN GLN 28 8.662 4.815 -2.407 24 HA GLN 28 HA GLN 28 7.883 6.180 -4.881 25 HB2 GLN 28 HB2 GLN 28 6.735 4.074 -5.588 26 HB3 GLN 28 HB1 GLN 28 8.489 3.965 -5.565 27 HG2 GLN 28 HG2 GLN 28 8.426 2.768 -3.469 28 HG3 GLN 28 HG1 GLN 28 6.673 2.953 -3.388 29 HE21 GLN 28 HE21 GLN 28 6.320 0.736 -3.343 30 HE22 GLN 28 HE22 GLN 28 6.539 -0.267 -4.736 31 H ILE 29 HN ILE 29 5.596 6.301 -5.234 32 HA ILE 29 HA ILE 29 4.087 6.685 -2.803 33 HB ILE 29 HB ILE 29 3.088 6.806 -5.652 34 HG12 ILE 29 HG12 ILE 29 5.079 8.279 -5.078 35 HG13 ILE 29 HG11 ILE 29 3.669 9.094 -5.746 36 HG21 ILE 29 HG21 ILE 29 1.361 8.279 -4.695 37 HG22 ILE 29 HG22 ILE 29 2.032 7.994 -3.088 38 HG23 ILE 29 HG23 ILE 29 1.322 6.658 -3.997 39 HD11 ILE 29 HD11 ILE 29 4.569 10.406 -3.964 40 HD12 ILE 29 HD12 ILE 29 4.561 9.022 -2.874 41 HD13 ILE 29 HD13 ILE 29 3.038 9.721 -3.423 42 H ALA 30 HN ALA 30 3.182 5.031 -1.821 43 HA ALA 30 HA ALA 30 2.830 2.544 -3.290 44 HB1 ALA 30 HB1 ALA 30 3.894 2.371 -1.134 45 HB2 ALA 30 HB2 ALA 30 2.326 1.566 -1.066 46 HB3 ALA 30 HB3 ALA 30 2.528 3.165 -0.353 47 H ARG 31 HN ARG 31 0.840 1.395 -3.319 48 HA ARG 31 HA ARG 31 -1.501 3.137 -3.068 49 HB2 ARG 31 HB2 ARG 31 -0.681 3.301 -5.383 50 HB3 ARG 31 HB1 ARG 31 -0.753 1.553 -5.539 51 HG2 ARG 31 HG2 ARG 31 -3.172 1.617 -5.265 52 HG3 ARG 31 HG1 ARG 31 -3.107 3.371 -5.068 53 HD2 ARG 31 HD2 ARG 31 -2.290 1.816 -7.522 54 HD3 ARG 31 HD1 ARG 31 -3.753 2.783 -7.340 55 HE ARG 31 HE ARG 31 -1.046 3.959 -7.210 56 HH11 ARG 31 HH11 ARG 31 -4.341 3.958 -8.451 57 HH12 ARG 31 HH12 ARG 31 -4.163 5.494 -9.240 58 HH21 ARG 31 HH21 ARG 31 -0.827 5.966 -8.279 59 HH22 ARG 31 HH22 ARG 31 -2.177 6.630 -9.147 60 H TYR 32 HN TYR 32 -2.586 2.059 -1.586 61 HA TYR 32 HA TYR 32 -2.739 -0.850 -1.735 62 HB2 TYR 32 HB2 TYR 32 -3.563 1.069 0.463 63 HB3 TYR 32 HB1 TYR 32 -3.656 -0.687 0.563 64 HD1 TYR 32 HD2 TYR 32 -1.591 -2.032 0.635 65 HD2 TYR 32 HD1 TYR 32 -1.467 2.222 0.775 66 HE1 TYR 32 HE2 TYR 32 0.729 -2.134 1.437 67 HE2 TYR 32 HE1 TYR 32 0.855 2.121 1.574 68 HH TYR 32 HH TYR 32 2.340 0.581 2.722 69 H ARG 33 HN ARG 33 -4.466 -1.790 -2.576 70 HA ARG 33 HA ARG 33 -6.827 -0.141 -3.102 71 HB2 ARG 33 HB2 ARG 33 -5.754 -1.429 -4.958 72 HB3 ARG 33 HB1 ARG 33 -6.196 -2.915 -4.124 73 HG2 ARG 33 HG2 ARG 33 -8.529 -2.426 -4.372 74 HG3 ARG 33 HG1 ARG 33 -8.169 -0.836 -5.049 75 HD2 ARG 33 HD2 ARG 33 -7.375 -3.468 -6.287 76 HD3 ARG 33 HD1 ARG 33 -8.763 -2.499 -6.777 77 HE ARG 33 HE ARG 33 -6.854 -0.721 -7.100 78 HH11 ARG 33 HH11 ARG 33 -6.825 -4.121 -7.942 79 HH12 ARG 33 HH12 ARG 33 -5.734 -3.911 -9.272 80 HH21 ARG 33 HH21 ARG 33 -5.406 -0.445 -8.840 81 HH22 ARG 33 HH22 ARG 33 -4.922 -1.838 -9.773 82 H THR 34 HN THR 34 -8.505 -0.254 -1.857 83 HA THR 34 HA THR 34 -8.577 -2.141 0.316 84 HB THR 34 HB THR 34 -10.516 -0.825 1.062 85 HG1 THR 34 HG1 THR 34 -9.946 1.015 -1.006 86 HG21 THR 34 HG21 THR 34 -9.224 1.246 1.483 87 HG22 THR 34 HG22 THR 34 -8.036 0.713 0.296 88 HG23 THR 34 HG23 THR 34 -8.283 -0.215 1.777 89 H ASP 35 HN ASP 35 -10.882 -2.919 0.934 90 HA ASP 35 HA ASP 35 -11.637 -4.932 -0.841 91 HB2 ASP 35 HB2 ASP 35 -12.056 -5.031 1.573 92 HB3 ASP 35 HB1 ASP 35 -13.217 -3.715 1.440 93 H ASN 36 HN ASN 36 -12.732 -1.652 -0.523 94 HA ASN 36 HA ASN 36 -15.099 -1.973 -2.112 95 HB2 ASN 36 HB2 ASN 36 -13.598 0.507 -1.247 96 HB3 ASN 36 HB1 ASN 36 -15.134 0.525 -2.103 97 HD21 ASN 36 HD21 ASN 36 -14.420 1.552 0.530 98 HD22 ASN 36 HD22 ASN 36 -15.503 0.788 1.641 99 H GLY 37 HN GLY 37 -11.805 -1.805 -2.831 100 HA2 GLY 37 HA2 GLY 37 -10.911 -1.943 -5.008 101 HA3 GLY 37 HA1 GLY 37 -12.400 -1.251 -5.635 102 H GLU 38 HN GLU 38 -11.852 0.615 -3.124 103 HA GLU 38 HA GLU 38 -10.892 2.843 -4.569 104 HB2 GLU 38 HB2 GLU 38 -10.963 2.425 -1.573 105 HB3 GLU 38 HB1 GLU 38 -10.809 3.969 -2.396 106 HG2 GLU 38 HG2 GLU 38 -13.192 2.153 -2.652 107 HG3 GLU 38 HG1 GLU 38 -13.073 3.481 -1.501 108 H GLU 39 HN GLU 39 -8.873 3.474 -4.997 109 HA GLU 39 HA GLU 39 -6.664 1.941 -3.858 110 HB2 GLU 39 HB2 GLU 39 -6.655 3.999 -6.071 111 HB3 GLU 39 HB1 GLU 39 -5.296 2.996 -5.591 112 HG2 GLU 39 HG2 GLU 39 -6.578 0.999 -6.245 113 HG3 GLU 39 HG1 GLU 39 -7.881 2.051 -6.801 114 H PHE 40 HN PHE 40 -5.083 2.830 -2.596 115 HA PHE 40 HA PHE 40 -5.570 5.616 -1.751 116 HB2 PHE 40 HB2 PHE 40 -4.991 3.174 -0.102 117 HB3 PHE 40 HB1 PHE 40 -4.600 4.780 0.501 118 HD1 PHE 40 HD1 PHE 40 -7.428 2.810 -0.902 119 HD2 PHE 40 HD2 PHE 40 -6.202 5.996 1.631 120 HE1 PHE 40 HE1 PHE 40 -9.746 3.075 -0.120 121 HE2 PHE 40 HE2 PHE 40 -8.516 6.268 2.419 122 HZ PHE 40 HZ PHE 40 -10.291 4.806 1.540 123 H GLU 41 HN GLU 41 -3.940 6.938 -1.934 124 HA GLU 41 HA GLU 41 -1.314 5.856 -2.597 125 HB2 GLU 41 HB2 GLU 41 -0.801 8.196 -3.281 126 HB3 GLU 41 HB1 GLU 41 -2.135 7.476 -4.167 127 HG2 GLU 41 HG2 GLU 41 -3.730 8.706 -2.826 128 HG3 GLU 41 HG1 GLU 41 -2.421 9.374 -1.849 129 H VAL 42 HN VAL 42 0.473 6.192 -1.411 130 HA VAL 42 HA VAL 42 0.475 7.889 0.917 131 HB VAL 42 HB VAL 42 1.296 5.913 2.359 132 HG11 VAL 42 HG11 VAL 42 -1.627 6.189 1.655 133 HG12 VAL 42 HG12 VAL 42 -0.752 7.084 2.900 134 HG13 VAL 42 HG13 VAL 42 -1.009 5.345 3.073 135 HG21 VAL 42 HG21 VAL 42 -0.261 4.454 0.253 136 HG22 VAL 42 HG22 VAL 42 0.154 3.787 1.831 137 HG23 VAL 42 HG23 VAL 42 1.429 4.225 0.694 138 HA PRO 43 HA PRO 43 4.544 7.828 -1.000 139 HB2 PRO 43 HB2 PRO 43 4.945 10.210 0.689 140 HB3 PRO 43 HB1 PRO 43 5.009 10.057 -1.070 141 HG2 PRO 43 HG2 PRO 43 2.977 11.338 0.069 142 HG3 PRO 43 HG1 PRO 43 2.683 10.236 -1.301 143 HD2 PRO 43 HD2 PRO 43 2.397 9.666 1.642 144 HD3 PRO 43 HD1 PRO 43 1.214 9.419 0.331 145 H PHE 44 HN PHE 44 6.007 6.441 -0.265 146 HA PHE 44 HA PHE 44 6.862 6.620 2.548 147 HB2 PHE 44 HB2 PHE 44 6.878 4.337 0.585 148 HB3 PHE 44 HB1 PHE 44 7.877 4.313 2.034 149 HD1 PHE 44 HD2 PHE 44 6.870 4.174 4.237 150 HD2 PHE 44 HD1 PHE 44 4.498 4.052 0.709 151 HE1 PHE 44 HE2 PHE 44 4.980 3.296 5.545 152 HE2 PHE 44 HE1 PHE 44 2.606 3.164 2.006 153 HZ PHE 44 HZ PHE 44 2.844 2.787 4.430 154 H ALA 45 HN ALA 45 9.154 6.293 2.970 155 HA ALA 45 HA ALA 45 10.810 7.612 0.974 156 HB1 ALA 45 HB1 ALA 45 10.922 8.405 3.273 157 HB2 ALA 45 HB2 ALA 45 12.479 7.749 2.764 158 HB3 ALA 45 HB3 ALA 45 11.425 6.803 3.815 159 H ASP 46 HN ASP 46 13.149 6.706 0.813 160 HA ASP 46 HA ASP 46 12.816 4.112 -0.346 161 HB2 ASP 46 HB2 ASP 46 15.111 4.338 -1.133 162 HB3 ASP 46 HB1 ASP 46 14.205 5.814 -1.439 163 H ASP 47 HN ASP 47 13.473 5.023 2.765 164 HA ASP 47 HA ASP 47 15.192 2.741 3.343 165 HB2 ASP 47 HB2 ASP 47 15.327 3.572 5.593 166 HB3 ASP 47 HB1 ASP 47 15.525 4.944 4.510 167 H ALA 48 HN ALA 48 11.919 3.420 3.047 168 HA ALA 48 HA ALA 48 11.094 1.449 5.043 169 HB1 ALA 48 HB1 ALA 48 9.945 3.620 5.040 170 HB2 ALA 48 HB2 ALA 48 8.839 2.288 4.703 171 HB3 ALA 48 HB3 ALA 48 9.401 3.321 3.389 172 H GLU 49 HN GLU 49 10.303 -0.486 4.534 173 HA GLU 49 HA GLU 49 10.319 -1.369 1.778 174 HB2 GLU 49 HB2 GLU 49 9.790 -3.594 2.764 175 HB3 GLU 49 HB1 GLU 49 11.246 -2.871 3.433 176 HG2 GLU 49 HG2 GLU 49 9.857 -2.088 5.367 177 HG3 GLU 49 HG1 GLU 49 8.532 -3.044 4.712 178 H ILE 50 HN ILE 50 8.505 -2.178 0.654 179 HA ILE 50 HA ILE 50 5.987 -0.993 1.603 180 HB ILE 50 HB ILE 50 6.678 -1.804 -1.225 181 HG12 ILE 50 HG12 ILE 50 8.167 -0.006 -0.464 182 HG13 ILE 50 HG11 ILE 50 7.033 0.579 -1.675 183 HG21 ILE 50 HG21 ILE 50 4.760 -0.405 -1.832 184 HG22 ILE 50 HG22 ILE 50 4.448 -0.093 -0.123 185 HG23 ILE 50 HG23 ILE 50 4.288 -1.730 -0.767 186 HD11 ILE 50 HD11 ILE 50 5.668 1.565 0.104 187 HD12 ILE 50 HD12 ILE 50 7.314 2.195 0.100 188 HD13 ILE 50 HD13 ILE 50 6.834 0.996 1.298 189 HA PRO 51 HA PRO 51 4.571 -5.276 1.751 190 HB2 PRO 51 HB2 PRO 51 2.690 -4.915 3.601 191 HB3 PRO 51 HB1 PRO 51 4.402 -4.925 4.041 192 HG2 PRO 51 HG2 PRO 51 2.541 -2.617 3.710 193 HG3 PRO 51 HG1 PRO 51 3.833 -2.852 4.899 194 HD2 PRO 51 HD2 PRO 51 4.025 -1.344 2.558 195 HD3 PRO 51 HD1 PRO 51 5.393 -1.939 3.519 196 H GLY 52 HN GLY 52 2.404 -6.257 1.366 197 HA2 GLY 52 HA2 GLY 52 0.855 -4.571 -0.470 198 HA3 GLY 52 HA1 GLY 52 0.783 -6.317 -0.373 199 H THR 53 HN THR 53 0.725 -4.801 2.664 200 HA THR 53 HA THR 53 -2.139 -4.299 2.593 201 HB THR 53 HB THR 53 -2.290 -5.496 4.893 202 HG1 THR 53 HG1 THR 53 -0.402 -6.360 5.369 203 HG21 THR 53 HG21 THR 53 -2.924 -7.624 3.773 204 HG22 THR 53 HG22 THR 53 -2.201 -7.012 2.283 205 HG23 THR 53 HG23 THR 53 -3.593 -6.194 2.989 206 H TRP 54 HN TRP 54 -2.797 -2.723 3.964 207 HA TRP 54 HA TRP 54 -1.152 -1.642 6.047 208 HB2 TRP 54 HB2 TRP 54 -0.027 -0.932 3.875 209 HB3 TRP 54 HB1 TRP 54 -1.462 0.019 3.542 210 HD1 TRP 54 HD1 TRP 54 -1.539 2.408 4.533 211 HE1 TRP 54 HE1 TRP 54 0.025 3.784 6.047 212 HE3 TRP 54 HE3 TRP 54 1.653 -1.310 5.991 213 HZ2 TRP 54 HZ2 TRP 54 2.305 3.338 7.662 214 HZ3 TRP 54 HZ3 TRP 54 3.497 -0.751 7.517 215 HH2 TRP 54 HH2 TRP 54 3.815 1.522 8.333 216 H LEU 55 HN LEU 55 -2.470 -0.602 7.433 217 HA LEU 55 HA LEU 55 -5.246 -0.399 6.976 218 HB2 LEU 55 HB2 LEU 55 -4.196 -0.608 9.214 219 HB3 LEU 55 HB1 LEU 55 -3.559 1.016 9.049 220 HG LEU 55 HG LEU 55 -5.904 1.866 8.940 221 HD11 LEU 55 HD11 LEU 55 -7.697 0.376 9.710 222 HD12 LEU 55 HD12 LEU 55 -6.574 -0.985 9.648 223 HD13 LEU 55 HD13 LEU 55 -7.014 -0.134 8.167 224 HD21 LEU 55 HD21 LEU 55 -6.336 1.629 11.328 225 HD22 LEU 55 HD22 LEU 55 -4.620 1.905 11.027 226 HD23 LEU 55 HD23 LEU 55 -5.198 0.284 11.413 227 H CYS 56 HN CYS 56 -6.354 1.100 5.864 228 HA CYS 56 HA CYS 56 -4.853 3.463 4.993 229 HB2 CYS 56 HB2 CYS 56 -7.343 2.232 3.801 230 HB3 CYS 56 HB1 CYS 56 -6.396 3.545 3.112 231 HG CYS 56 HG CYS 56 -4.575 0.811 3.711 232 H ARG 57 HN ARG 57 -6.562 5.286 4.336 233 HA ARG 57 HA ARG 57 -7.382 6.339 6.828 234 HB2 ARG 57 HB2 ARG 57 -7.916 7.302 4.014 235 HB3 ARG 57 HB1 ARG 57 -8.219 8.244 5.467 236 HG2 ARG 57 HG2 ARG 57 -5.927 8.397 5.967 237 HG3 ARG 57 HG1 ARG 57 -5.512 7.151 4.791 238 HD2 ARG 57 HD2 ARG 57 -4.911 9.324 3.928 239 HD3 ARG 57 HD1 ARG 57 -6.230 8.647 2.980 240 HE ARG 57 HE ARG 57 -7.245 10.314 5.029 241 HH11 ARG 57 HH11 ARG 57 -5.591 10.426 1.947 242 HH12 ARG 57 HH12 ARG 57 -6.191 11.996 1.532 243 HH21 ARG 57 HH21 ARG 57 -8.059 12.383 4.474 244 HH22 ARG 57 HH22 ARG 57 -7.605 13.108 2.965 245 H ASN 58 HN ASN 58 -8.915 4.179 4.789 246 HA ASN 58 HA ASN 58 -11.611 5.033 5.472 247 HB2 ASN 58 HB2 ASN 58 -12.356 3.171 4.052 248 HB3 ASN 58 HB1 ASN 58 -11.224 4.214 3.202 249 HD21 ASN 58 HD21 ASN 58 -11.918 1.491 2.610 250 HD22 ASN 58 HD22 ASN 58 -10.448 0.582 2.680 251 H GLY 59 HN GLY 59 -9.179 2.993 6.735 252 HA2 GLY 59 HA2 GLY 59 -9.379 2.037 8.895 253 HA3 GLY 59 HA1 GLY 59 -11.125 2.000 8.696 254 H MET 60 HN MET 60 -9.403 0.931 5.997 255 HA MET 60 HA MET 60 -9.633 -1.886 6.818 256 HB2 MET 60 HB2 MET 60 -11.471 -1.328 5.293 257 HB3 MET 60 HB1 MET 60 -10.326 -0.688 4.128 258 HG2 MET 60 HG2 MET 60 -11.041 -2.863 3.427 259 HG3 MET 60 HG1 MET 60 -9.345 -2.930 3.897 260 HE1 MET 60 HE1 MET 60 -12.831 -4.595 6.425 261 HE2 MET 60 HE2 MET 60 -13.021 -3.910 4.811 262 HE3 MET 60 HE3 MET 60 -12.591 -2.870 6.166 263 H GLU 61 HN GLU 61 -7.970 -3.236 6.110 264 HA GLU 61 HA GLU 61 -5.537 -1.928 5.325 265 HB2 GLU 61 HB2 GLU 61 -6.217 -4.842 5.727 266 HB3 GLU 61 HB1 GLU 61 -4.612 -4.268 5.296 267 HG2 GLU 61 HG2 GLU 61 -4.588 -2.927 7.378 268 HG3 GLU 61 HG1 GLU 61 -6.141 -3.643 7.811 269 H GLY 62 HN GLY 62 -5.352 -1.243 3.312 270 HA2 GLY 62 HA2 GLY 62 -6.613 -2.648 1.119 271 HA3 GLY 62 HA1 GLY 62 -5.668 -1.169 1.010 272 H THR 63 HN THR 63 -5.498 -3.468 -0.705 273 HA THR 63 HA THR 63 -2.892 -4.605 -0.004 274 HB THR 63 HB THR 63 -4.894 -5.386 -2.107 275 HG1 THR 63 HG1 THR 63 -4.155 -6.414 0.428 276 HG21 THR 63 HG21 THR 63 -2.277 -6.705 -1.382 277 HG22 THR 63 HG22 THR 63 -2.619 -5.848 -2.887 278 HG23 THR 63 HG23 THR 63 -3.474 -7.346 -2.509 279 H LEU 64 HN LEU 64 -1.197 -3.499 -0.707 280 HA LEU 64 HA LEU 64 -1.234 -1.829 -3.013 281 HB2 LEU 64 HB2 LEU 64 0.270 -1.259 -1.275 282 HB3 LEU 64 HB1 LEU 64 0.940 -2.873 -1.222 283 HG LEU 64 HG LEU 64 2.371 -0.978 -2.149 284 HD11 LEU 64 HD11 LEU 64 2.983 -3.318 -2.306 285 HD12 LEU 64 HD12 LEU 64 3.455 -2.424 -3.754 286 HD13 LEU 64 HD13 LEU 64 2.034 -3.470 -3.785 287 HD21 LEU 64 HD21 LEU 64 0.376 -0.328 -3.678 288 HD22 LEU 64 HD22 LEU 64 1.102 -1.523 -4.754 289 HD23 LEU 64 HD23 LEU 64 2.042 -0.133 -4.217 290 H ILE 65 HN ILE 65 -0.445 -2.224 -5.001 291 HA ILE 65 HA ILE 65 -0.944 -4.883 -5.898 292 HB ILE 65 HB ILE 65 -0.018 -2.486 -7.457 293 HG12 ILE 65 HG12 ILE 65 -2.495 -2.559 -8.248 294 HG13 ILE 65 HG11 ILE 65 -2.773 -3.526 -6.810 295 HG21 ILE 65 HG21 ILE 65 -1.209 -5.076 -8.414 296 HG22 ILE 65 HG22 ILE 65 0.470 -4.569 -8.602 297 HG23 ILE 65 HG23 ILE 65 -0.815 -3.688 -9.430 298 HD11 ILE 65 HD11 ILE 65 -2.178 -1.697 -5.385 299 HD12 ILE 65 HD12 ILE 65 -3.330 -1.103 -6.578 300 HD13 ILE 65 HD13 ILE 65 -1.615 -0.745 -6.756 301 H GLU 66 HN GLU 66 0.550 -6.260 -5.416 302 HA GLU 66 HA GLU 66 2.447 -7.463 -5.329 303 HB2 GLU 66 HB2 GLU 66 3.256 -5.636 -7.579 304 HB3 GLU 66 HB1 GLU 66 4.119 -7.094 -7.112 305 HG2 GLU 66 HG2 GLU 66 2.044 -8.389 -7.580 306 HG3 GLU 66 HG1 GLU 66 1.320 -6.906 -8.197 307 H GLY 67 HN GLY 67 3.219 -7.025 -3.327 308 HA2 GLY 67 HA2 GLY 67 5.150 -4.799 -3.139 309 HA3 GLY 67 HA1 GLY 67 3.994 -5.140 -1.863 310 H ASP 68 HN ASP 68 4.347 -6.827 -0.459 311 HA ASP 68 HA ASP 68 7.151 -7.402 -0.117 312 HB2 ASP 68 HB2 ASP 68 6.503 -8.303 2.056 313 HB3 ASP 68 HB1 ASP 68 5.795 -6.715 1.800 314 H LEU 69 HN LEU 69 7.600 -9.671 0.900 315 HA LEU 69 HA LEU 69 6.976 -11.555 -1.238 316 HB2 LEU 69 HB2 LEU 69 9.334 -11.113 -0.725 317 HB3 LEU 69 HB1 LEU 69 9.078 -11.631 0.928 318 HG LEU 69 HG LEU 69 8.512 -13.905 0.065 319 HD11 LEU 69 HD11 LEU 69 9.494 -12.753 -2.539 320 HD12 LEU 69 HD12 LEU 69 7.862 -13.326 -2.190 321 HD13 LEU 69 HD13 LEU 69 9.209 -14.464 -2.219 322 HD21 LEU 69 HD21 LEU 69 11.240 -12.842 -0.654 323 HD22 LEU 69 HD22 LEU 69 10.825 -14.533 -0.364 324 HD23 LEU 69 HD23 LEU 69 10.720 -13.361 0.952 325 HA PRO 70 HA PRO 70 4.136 -13.604 1.620 326 HB2 PRO 70 HB2 PRO 70 4.055 -15.517 -0.637 327 HB3 PRO 70 HB1 PRO 70 2.724 -14.702 0.191 328 HG2 PRO 70 HG2 PRO 70 3.446 -13.961 -2.258 329 HG3 PRO 70 HG1 PRO 70 2.980 -12.753 -1.044 330 HD2 PRO 70 HD2 PRO 70 5.722 -13.550 -1.964 331 HD3 PRO 70 HD1 PRO 70 5.065 -11.929 -1.642 332 H GLU 71 HN GLU 71 4.203 -15.569 2.787 333 HA GLU 71 HA GLU 71 6.746 -17.001 2.615 334 HB2 GLU 71 HB2 GLU 71 5.967 -16.051 4.816 335 HB3 GLU 71 HB1 GLU 71 4.640 -17.203 4.774 336 HG2 GLU 71 HG2 GLU 71 6.303 -19.041 4.691 337 HG3 GLU 71 HG1 GLU 71 7.576 -17.840 4.892 Start of MODEL 2 1 H2 PRO 26 HT1 PRO 26 13.275 5.363 -5.491 2 H3 PRO 26 HT2 PRO 26 13.966 4.759 -4.138 3 HA PRO 26 HA PRO 26 14.294 6.650 -3.232 4 HB2 PRO 26 HB2 PRO 26 14.585 8.560 -5.317 5 HB3 PRO 26 HB1 PRO 26 15.833 7.965 -4.211 6 HG2 PRO 26 HG2 PRO 26 15.165 7.071 -6.959 7 HG3 PRO 26 HG1 PRO 26 16.719 7.036 -6.108 8 HD2 PRO 26 HD2 PRO 26 15.348 4.782 -6.516 9 HD3 PRO 26 HD1 PRO 26 16.204 5.053 -4.985 10 H ARG 27 HN ARG 27 12.466 7.386 -2.438 11 HA ARG 27 HA ARG 27 10.325 8.102 -2.225 12 HB2 ARG 27 HB2 ARG 27 11.326 10.176 -3.064 13 HB3 ARG 27 HB1 ARG 27 11.019 9.669 -4.718 14 HG2 ARG 27 HG2 ARG 27 8.610 9.729 -4.289 15 HG3 ARG 27 HG1 ARG 27 8.922 10.246 -2.631 16 HD2 ARG 27 HD2 ARG 27 8.358 12.154 -4.026 17 HD3 ARG 27 HD1 ARG 27 10.027 12.262 -3.476 18 HE ARG 27 HE ARG 27 9.312 11.303 -6.175 19 HH11 ARG 27 HH11 ARG 27 11.251 13.285 -4.040 20 HH12 ARG 27 HH12 ARG 27 12.224 13.938 -5.318 21 HH21 ARG 27 HH21 ARG 27 10.590 12.159 -7.861 22 HH22 ARG 27 HH22 ARG 27 11.847 13.296 -7.494 23 H GLN 28 HN GLN 28 9.562 5.939 -2.683 24 HA GLN 28 HA GLN 28 8.301 5.713 -5.321 25 HB2 GLN 28 HB2 GLN 28 8.112 3.269 -4.816 26 HB3 GLN 28 HB1 GLN 28 9.758 3.857 -4.976 27 HG2 GLN 28 HG2 GLN 28 9.952 3.916 -2.529 28 HG3 GLN 28 HG1 GLN 28 8.318 3.261 -2.403 29 HE21 GLN 28 HE21 GLN 28 7.943 1.119 -2.987 30 HE22 GLN 28 HE22 GLN 28 9.227 -0.024 -3.157 31 H ILE 29 HN ILE 29 6.190 5.742 -5.510 32 HA ILE 29 HA ILE 29 4.616 6.142 -3.102 33 HB ILE 29 HB ILE 29 3.795 6.387 -5.998 34 HG12 ILE 29 HG12 ILE 29 4.580 8.503 -3.985 35 HG13 ILE 29 HG11 ILE 29 5.541 7.994 -5.367 36 HG21 ILE 29 HG21 ILE 29 2.406 7.307 -3.483 37 HG22 ILE 29 HG22 ILE 29 1.910 5.955 -4.502 38 HG23 ILE 29 HG23 ILE 29 1.860 7.600 -5.134 39 HD11 ILE 29 HD11 ILE 29 2.853 9.329 -5.480 40 HD12 ILE 29 HD12 ILE 29 3.809 8.817 -6.868 41 HD13 ILE 29 HD13 ILE 29 4.409 10.089 -5.806 42 H ALA 30 HN ALA 30 3.629 4.493 -2.164 43 HA ALA 30 HA ALA 30 3.080 2.085 -3.707 44 HB1 ALA 30 HB1 ALA 30 2.656 2.648 -0.769 45 HB2 ALA 30 HB2 ALA 30 4.061 1.844 -1.469 46 HB3 ALA 30 HB3 ALA 30 2.472 1.086 -1.564 47 H ARG 31 HN ARG 31 0.930 1.180 -3.769 48 HA ARG 31 HA ARG 31 -1.181 3.138 -3.288 49 HB2 ARG 31 HB2 ARG 31 -0.303 3.175 -5.719 50 HB3 ARG 31 HB1 ARG 31 -1.124 1.628 -5.885 51 HG2 ARG 31 HG2 ARG 31 -3.239 2.613 -5.372 52 HG3 ARG 31 HG1 ARG 31 -2.480 4.153 -4.966 53 HD2 ARG 31 HD2 ARG 31 -1.635 4.223 -7.338 54 HD3 ARG 31 HD1 ARG 31 -2.675 2.838 -7.660 55 HE ARG 31 HE ARG 31 -4.043 5.084 -6.478 56 HH11 ARG 31 HH11 ARG 31 -2.988 3.599 -9.467 57 HH12 ARG 31 HH12 ARG 31 -4.175 4.413 -10.432 58 HH21 ARG 31 HH21 ARG 31 -5.603 6.153 -7.750 59 HH22 ARG 31 HH22 ARG 31 -5.658 5.865 -9.459 60 H TYR 32 HN TYR 32 -2.401 2.142 -1.888 61 HA TYR 32 HA TYR 32 -2.686 -0.765 -2.034 62 HB2 TYR 32 HB2 TYR 32 -3.437 1.182 0.162 63 HB3 TYR 32 HB1 TYR 32 -3.539 -0.573 0.266 64 HD1 TYR 32 HD2 TYR 32 -1.468 -1.926 0.305 65 HD2 TYR 32 HD1 TYR 32 -1.352 2.324 0.483 66 HE1 TYR 32 HE2 TYR 32 0.848 -2.035 1.117 67 HE2 TYR 32 HE1 TYR 32 0.961 2.222 1.298 68 HH TYR 32 HH TYR 32 2.443 0.646 2.459 69 H ARG 33 HN ARG 33 -4.472 -1.626 -2.863 70 HA ARG 33 HA ARG 33 -6.836 0.087 -3.146 71 HB2 ARG 33 HB2 ARG 33 -5.974 -1.076 -5.168 72 HB3 ARG 33 HB1 ARG 33 -6.274 -2.620 -4.378 73 HG2 ARG 33 HG2 ARG 33 -8.660 -2.090 -4.266 74 HG3 ARG 33 HG1 ARG 33 -8.351 -0.561 -5.089 75 HD2 ARG 33 HD2 ARG 33 -9.183 -2.308 -6.611 76 HD3 ARG 33 HD1 ARG 33 -7.577 -1.734 -7.058 77 HE ARG 33 HE ARG 33 -6.777 -3.840 -6.713 78 HH11 ARG 33 HH11 ARG 33 -9.876 -3.569 -5.095 79 HH12 ARG 33 HH12 ARG 33 -9.904 -5.230 -4.607 80 HH21 ARG 33 HH21 ARG 33 -6.846 -6.036 -6.103 81 HH22 ARG 33 HH22 ARG 33 -8.195 -6.628 -5.184 82 H THR 34 HN THR 34 -8.458 -0.123 -1.784 83 HA THR 34 HA THR 34 -8.451 -2.256 0.174 84 HB THR 34 HB THR 34 -10.266 -1.035 1.225 85 HG1 THR 34 HG1 THR 34 -10.733 1.107 0.203 86 HG21 THR 34 HG21 THR 34 -7.937 0.663 0.348 87 HG22 THR 34 HG22 THR 34 -7.996 -0.396 1.758 88 HG23 THR 34 HG23 THR 34 -9.007 1.049 1.694 89 H ASP 35 HN ASP 35 -10.565 -3.304 0.739 90 HA ASP 35 HA ASP 35 -11.599 -4.787 -1.388 91 HB2 ASP 35 HB2 ASP 35 -11.689 -5.464 1.001 92 HB3 ASP 35 HB1 ASP 35 -12.917 -4.234 1.282 93 H ASN 36 HN ASN 36 -12.425 -1.659 -0.229 94 HA ASN 36 HA ASN 36 -15.050 -1.532 -1.368 95 HB2 ASN 36 HB2 ASN 36 -13.186 0.694 -0.514 96 HB3 ASN 36 HB1 ASN 36 -14.884 0.895 -0.929 97 HD21 ASN 36 HD21 ASN 36 -13.452 1.493 1.535 98 HD22 ASN 36 HD22 ASN 36 -14.263 0.588 2.783 99 H GLY 37 HN GLY 37 -11.903 -1.391 -2.631 100 HA2 GLY 37 HA2 GLY 37 -11.456 -1.305 -4.954 101 HA3 GLY 37 HA1 GLY 37 -12.947 -0.406 -5.180 102 H GLU 38 HN GLU 38 -11.514 0.887 -2.550 103 HA GLU 38 HA GLU 38 -10.747 3.285 -3.889 104 HB2 GLU 38 HB2 GLU 38 -10.144 2.467 -1.043 105 HB3 GLU 38 HB1 GLU 38 -10.162 4.100 -1.688 106 HG2 GLU 38 HG2 GLU 38 -12.503 4.111 -1.877 107 HG3 GLU 38 HG1 GLU 38 -12.611 2.365 -1.648 108 H GLU 39 HN GLU 39 -8.816 3.746 -4.760 109 HA GLU 39 HA GLU 39 -6.513 2.082 -4.029 110 HB2 GLU 39 HB2 GLU 39 -6.881 3.981 -6.356 111 HB3 GLU 39 HB1 GLU 39 -5.454 2.998 -6.061 112 HG2 GLU 39 HG2 GLU 39 -6.684 0.980 -6.414 113 HG3 GLU 39 HG1 GLU 39 -8.204 1.867 -6.499 114 H PHE 40 HN PHE 40 -5.072 2.874 -2.659 115 HA PHE 40 HA PHE 40 -5.190 5.765 -2.073 116 HB2 PHE 40 HB2 PHE 40 -4.334 3.425 -0.374 117 HB3 PHE 40 HB1 PHE 40 -4.055 5.096 0.092 118 HD1 PHE 40 HD1 PHE 40 -6.644 2.562 -0.552 119 HD2 PHE 40 HD2 PHE 40 -5.793 6.435 0.989 120 HE1 PHE 40 HE1 PHE 40 -8.868 2.636 0.486 121 HE2 PHE 40 HE2 PHE 40 -8.023 6.514 2.027 122 HZ PHE 40 HZ PHE 40 -9.563 4.602 1.780 123 H GLU 41 HN GLU 41 -3.551 6.979 -2.688 124 HA GLU 41 HA GLU 41 -1.010 5.690 -3.369 125 HB2 GLU 41 HB2 GLU 41 -0.512 7.950 -4.435 126 HB3 GLU 41 HB1 GLU 41 -1.770 6.984 -5.187 127 HG2 GLU 41 HG2 GLU 41 -3.439 8.340 -3.885 128 HG3 GLU 41 HG1 GLU 41 -2.104 9.394 -3.426 129 H VAL 42 HN VAL 42 0.681 5.880 -2.099 130 HA VAL 42 HA VAL 42 0.767 7.972 -0.070 131 HB VAL 42 HB VAL 42 1.485 6.155 1.605 132 HG11 VAL 42 HG11 VAL 42 -0.872 5.668 2.227 133 HG12 VAL 42 HG12 VAL 42 -1.386 6.389 0.702 134 HG13 VAL 42 HG13 VAL 42 -0.569 7.379 1.913 135 HG21 VAL 42 HG21 VAL 42 1.688 4.306 0.087 136 HG22 VAL 42 HG22 VAL 42 0.003 4.479 -0.402 137 HG23 VAL 42 HG23 VAL 42 0.397 3.977 1.243 138 HA PRO 43 HA PRO 43 4.923 7.567 -1.832 139 HB2 PRO 43 HB2 PRO 43 5.122 10.326 -0.816 140 HB3 PRO 43 HB1 PRO 43 5.360 9.715 -2.457 141 HG2 PRO 43 HG2 PRO 43 3.200 11.163 -1.884 142 HG3 PRO 43 HG1 PRO 43 3.062 9.730 -2.933 143 HD2 PRO 43 HD2 PRO 43 2.498 9.937 0.016 144 HD3 PRO 43 HD1 PRO 43 1.456 9.293 -1.278 145 H PHE 44 HN PHE 44 5.967 6.255 -0.468 146 HA PHE 44 HA PHE 44 6.511 7.092 2.269 147 HB2 PHE 44 HB2 PHE 44 6.991 4.520 0.770 148 HB3 PHE 44 HB1 PHE 44 7.658 4.811 2.371 149 HD1 PHE 44 HD2 PHE 44 6.098 5.172 4.288 150 HD2 PHE 44 HD1 PHE 44 4.758 3.866 0.469 151 HE1 PHE 44 HE2 PHE 44 3.997 4.394 5.293 152 HE2 PHE 44 HE1 PHE 44 2.650 3.086 1.471 153 HZ PHE 44 HZ PHE 44 2.299 3.287 3.901 154 H ALA 45 HN ALA 45 8.740 6.680 3.088 155 HA ALA 45 HA ALA 45 10.739 7.711 1.232 156 HB1 ALA 45 HB1 ALA 45 10.953 7.161 4.197 157 HB2 ALA 45 HB2 ALA 45 10.575 8.722 3.472 158 HB3 ALA 45 HB3 ALA 45 12.152 7.983 3.197 159 H ASP 46 HN ASP 46 12.845 6.610 1.113 160 HA ASP 46 HA ASP 46 12.462 3.834 0.560 161 HB2 ASP 46 HB2 ASP 46 15.015 5.457 0.557 162 HB3 ASP 46 HB1 ASP 46 14.808 3.865 -0.165 163 H ASP 47 HN ASP 47 12.973 5.384 3.390 164 HA ASP 47 HA ASP 47 14.873 3.582 4.591 165 HB2 ASP 47 HB2 ASP 47 13.091 5.664 5.851 166 HB3 ASP 47 HB1 ASP 47 14.382 4.800 6.676 167 H ALA 48 HN ALA 48 11.604 3.424 3.868 168 HA ALA 48 HA ALA 48 11.060 1.592 6.112 169 HB1 ALA 48 HB1 ALA 48 9.077 3.108 4.418 170 HB2 ALA 48 HB2 ALA 48 9.612 3.581 6.030 171 HB3 ALA 48 HB3 ALA 48 8.704 2.085 5.807 172 H GLU 49 HN GLU 49 9.672 -0.258 5.638 173 HA GLU 49 HA GLU 49 10.314 -1.399 3.031 174 HB2 GLU 49 HB2 GLU 49 9.550 -3.536 3.994 175 HB3 GLU 49 HB1 GLU 49 10.807 -2.793 4.965 176 HG2 GLU 49 HG2 GLU 49 7.885 -2.564 5.616 177 HG3 GLU 49 HG1 GLU 49 8.913 -3.858 6.224 178 H ILE 50 HN ILE 50 8.715 -2.262 1.643 179 HA ILE 50 HA ILE 50 6.121 -0.905 1.970 180 HB ILE 50 HB ILE 50 7.428 -1.822 -0.596 181 HG12 ILE 50 HG12 ILE 50 8.651 0.046 0.404 182 HG13 ILE 50 HG11 ILE 50 7.790 0.574 -1.036 183 HG21 ILE 50 HG21 ILE 50 5.668 -0.508 -1.696 184 HG22 ILE 50 HG22 ILE 50 4.948 -0.175 -0.119 185 HG23 ILE 50 HG23 ILE 50 5.002 -1.829 -0.731 186 HD11 ILE 50 HD11 ILE 50 7.632 2.228 0.711 187 HD12 ILE 50 HD12 ILE 50 6.947 1.034 1.812 188 HD13 ILE 50 HD13 ILE 50 6.043 1.539 0.385 189 HA PRO 51 HA PRO 51 4.608 -5.169 2.038 190 HB2 PRO 51 HB2 PRO 51 2.573 -4.739 3.697 191 HB3 PRO 51 HB1 PRO 51 4.234 -4.773 4.297 192 HG2 PRO 51 HG2 PRO 51 2.454 -2.441 3.780 193 HG3 PRO 51 HG1 PRO 51 3.645 -2.683 5.070 194 HD2 PRO 51 HD2 PRO 51 4.038 -1.224 2.708 195 HD3 PRO 51 HD1 PRO 51 5.309 -1.780 3.816 196 H GLY 52 HN GLY 52 2.358 -6.053 1.615 197 HA2 GLY 52 HA2 GLY 52 0.995 -4.421 -0.420 198 HA3 GLY 52 HA1 GLY 52 0.844 -6.154 -0.229 199 H THR 53 HN THR 53 0.762 -4.383 2.669 200 HA THR 53 HA THR 53 -2.107 -3.950 2.526 201 HB THR 53 HB THR 53 -2.208 -4.927 4.948 202 HG1 THR 53 HG1 THR 53 -0.494 -6.912 4.127 203 HG21 THR 53 HG21 THR 53 -3.492 -5.742 3.016 204 HG22 THR 53 HG22 THR 53 -2.942 -7.073 4.035 205 HG23 THR 53 HG23 THR 53 -2.115 -6.722 2.518 206 H TRP 54 HN TRP 54 -2.844 -2.311 3.753 207 HA TRP 54 HA TRP 54 -1.129 -0.963 5.664 208 HB2 TRP 54 HB2 TRP 54 -0.493 -0.192 3.314 209 HB3 TRP 54 HB1 TRP 54 -2.099 0.516 3.216 210 HD1 TRP 54 HD1 TRP 54 -2.197 2.981 3.861 211 HE1 TRP 54 HE1 TRP 54 -0.729 4.596 5.221 212 HE3 TRP 54 HE3 TRP 54 1.279 -0.345 5.585 213 HZ2 TRP 54 HZ2 TRP 54 1.588 4.469 6.833 214 HZ3 TRP 54 HZ3 TRP 54 3.086 0.480 7.032 215 HH2 TRP 54 HH2 TRP 54 3.237 2.839 7.641 216 H LEU 55 HN LEU 55 -2.498 -0.592 7.288 217 HA LEU 55 HA LEU 55 -5.303 -0.559 7.064 218 HB2 LEU 55 HB2 LEU 55 -4.088 -1.074 9.148 219 HB3 LEU 55 HB1 LEU 55 -3.563 0.594 9.246 220 HG LEU 55 HG LEU 55 -5.939 1.291 9.468 221 HD11 LEU 55 HD11 LEU 55 -7.614 -0.412 10.002 222 HD12 LEU 55 HD12 LEU 55 -6.437 -1.677 9.641 223 HD13 LEU 55 HD13 LEU 55 -6.994 -0.597 8.361 224 HD21 LEU 55 HD21 LEU 55 -4.514 0.978 11.430 225 HD22 LEU 55 HD22 LEU 55 -4.996 -0.718 11.507 226 HD23 LEU 55 HD23 LEU 55 -6.191 0.553 11.771 227 H CYS 56 HN CYS 56 -6.534 0.962 6.142 228 HA CYS 56 HA CYS 56 -5.339 3.614 5.782 229 HB2 CYS 56 HB2 CYS 56 -7.653 2.339 4.311 230 HB3 CYS 56 HB1 CYS 56 -6.891 3.873 3.914 231 HG CYS 56 HG CYS 56 -4.770 1.282 3.983 232 H ARG 57 HN ARG 57 -7.201 5.333 5.481 233 HA ARG 57 HA ARG 57 -8.323 5.798 8.001 234 HB2 ARG 57 HB2 ARG 57 -9.446 7.694 6.961 235 HB3 ARG 57 HB1 ARG 57 -7.787 7.574 6.388 236 HG2 ARG 57 HG2 ARG 57 -8.610 6.444 4.367 237 HG3 ARG 57 HG1 ARG 57 -10.256 6.693 4.938 238 HD2 ARG 57 HD2 ARG 57 -9.834 9.138 4.941 239 HD3 ARG 57 HD1 ARG 57 -8.243 8.829 4.245 240 HE ARG 57 HE ARG 57 -10.355 7.638 2.730 241 HH11 ARG 57 HH11 ARG 57 -8.605 10.614 3.296 242 HH12 ARG 57 HH12 ARG 57 -8.982 11.281 1.740 243 HH21 ARG 57 HH21 ARG 57 -10.853 8.502 0.677 244 HH22 ARG 57 HH22 ARG 57 -10.265 10.077 0.250 245 H ASN 58 HN ASN 58 -9.445 3.902 5.401 246 HA ASN 58 HA ASN 58 -12.240 4.090 6.062 247 HB2 ASN 58 HB2 ASN 58 -12.595 2.504 4.276 248 HB3 ASN 58 HB1 ASN 58 -11.449 3.722 3.732 249 HD21 ASN 58 HD21 ASN 58 -11.760 1.245 2.516 250 HD22 ASN 58 HD22 ASN 58 -10.294 0.340 2.715 251 H GLY 59 HN GLY 59 -9.576 2.357 7.258 252 HA2 GLY 59 HA2 GLY 59 -9.707 1.146 9.280 253 HA3 GLY 59 HA1 GLY 59 -11.421 0.876 8.986 254 H MET 60 HN MET 60 -9.832 0.309 6.167 255 HA MET 60 HA MET 60 -9.627 -2.574 6.736 256 HB2 MET 60 HB2 MET 60 -11.496 -1.930 5.211 257 HB3 MET 60 HB1 MET 60 -10.312 -1.239 4.109 258 HG2 MET 60 HG2 MET 60 -11.006 -3.426 3.353 259 HG3 MET 60 HG1 MET 60 -9.303 -3.436 3.804 260 HE1 MET 60 HE1 MET 60 -12.439 -3.515 6.218 261 HE2 MET 60 HE2 MET 60 -12.670 -5.255 6.395 262 HE3 MET 60 HE3 MET 60 -12.939 -4.483 4.834 263 H GLU 61 HN GLU 61 -7.837 -3.680 5.877 264 HA GLU 61 HA GLU 61 -5.523 -2.050 5.392 265 HB2 GLU 61 HB2 GLU 61 -5.921 -5.041 5.364 266 HB3 GLU 61 HB1 GLU 61 -4.367 -4.264 5.093 267 HG2 GLU 61 HG2 GLU 61 -4.495 -3.253 7.320 268 HG3 GLU 61 HG1 GLU 61 -6.041 -4.061 7.586 269 H GLY 62 HN GLY 62 -5.400 -1.044 3.509 270 HA2 GLY 62 HA2 GLY 62 -6.446 -2.060 1.070 271 HA3 GLY 62 HA1 GLY 62 -5.338 -0.704 1.236 272 H THR 63 HN THR 63 -5.420 -2.982 -0.674 273 HA THR 63 HA THR 63 -2.868 -4.302 -0.015 274 HB THR 63 HB THR 63 -4.958 -5.062 -2.044 275 HG1 THR 63 HG1 THR 63 -4.633 -5.607 0.644 276 HG21 THR 63 HG21 THR 63 -2.738 -5.816 -2.688 277 HG22 THR 63 HG22 THR 63 -3.727 -7.186 -2.177 278 HG23 THR 63 HG23 THR 63 -2.502 -6.527 -1.091 279 H LEU 64 HN LEU 64 -1.188 -3.266 -0.865 280 HA LEU 64 HA LEU 64 -1.241 -1.767 -3.264 281 HB2 LEU 64 HB2 LEU 64 0.437 -1.328 -1.600 282 HB3 LEU 64 HB1 LEU 64 1.002 -2.978 -1.661 283 HG LEU 64 HG LEU 64 2.364 -1.044 -2.750 284 HD11 LEU 64 HD11 LEU 64 1.944 -3.672 -4.137 285 HD12 LEU 64 HD12 LEU 64 3.002 -3.381 -2.755 286 HD13 LEU 64 HD13 LEU 64 3.348 -2.616 -4.307 287 HD21 LEU 64 HD21 LEU 64 0.829 -1.827 -5.158 288 HD22 LEU 64 HD22 LEU 64 1.895 -0.443 -4.911 289 HD23 LEU 64 HD23 LEU 64 0.297 -0.479 -4.163 290 H ILE 65 HN ILE 65 -0.759 -2.371 -5.304 291 HA ILE 65 HA ILE 65 -1.550 -5.057 -5.874 292 HB ILE 65 HB ILE 65 -0.756 -2.883 -7.800 293 HG12 ILE 65 HG12 ILE 65 -3.317 -2.830 -8.184 294 HG13 ILE 65 HG11 ILE 65 -3.433 -3.659 -6.639 295 HG21 ILE 65 HG21 ILE 65 -2.004 -4.232 -9.455 296 HG22 ILE 65 HG22 ILE 65 -2.187 -5.494 -8.235 297 HG23 ILE 65 HG23 ILE 65 -0.581 -5.055 -8.817 298 HD11 ILE 65 HD11 ILE 65 -2.108 -0.978 -7.008 299 HD12 ILE 65 HD12 ILE 65 -2.518 -1.776 -5.486 300 HD13 ILE 65 HD13 ILE 65 -3.794 -1.192 -6.547 301 H GLU 66 HN GLU 66 -0.174 -6.555 -5.682 302 HA GLU 66 HA GLU 66 1.654 -7.855 -5.687 303 HB2 GLU 66 HB2 GLU 66 2.361 -6.113 -8.035 304 HB3 GLU 66 HB1 GLU 66 3.320 -7.495 -7.529 305 HG2 GLU 66 HG2 GLU 66 0.449 -7.554 -8.417 306 HG3 GLU 66 HG1 GLU 66 1.844 -8.095 -9.351 307 H GLY 67 HN GLY 67 2.276 -7.207 -3.657 308 HA2 GLY 67 HA2 GLY 67 4.332 -5.103 -3.524 309 HA3 GLY 67 HA1 GLY 67 3.321 -5.612 -2.180 310 H ASP 68 HN ASP 68 4.939 -6.117 -0.779 311 HA ASP 68 HA ASP 68 7.272 -7.548 -1.451 312 HB2 ASP 68 HB2 ASP 68 7.138 -6.112 0.530 313 HB3 ASP 68 HB1 ASP 68 5.941 -7.191 1.239 314 H LEU 69 HN LEU 69 7.503 -9.598 -1.923 315 HA LEU 69 HA LEU 69 5.433 -11.503 -1.080 316 HB2 LEU 69 HB2 LEU 69 7.466 -11.746 -3.303 317 HB3 LEU 69 HB1 LEU 69 6.200 -12.902 -2.937 318 HG LEU 69 HG LEU 69 5.730 -10.071 -3.877 319 HD11 LEU 69 HD11 LEU 69 5.502 -12.684 -5.365 320 HD12 LEU 69 HD12 LEU 69 6.737 -11.449 -5.620 321 HD13 LEU 69 HD13 LEU 69 5.047 -11.098 -5.982 322 HD21 LEU 69 HD21 LEU 69 3.414 -10.816 -4.178 323 HD22 LEU 69 HD22 LEU 69 3.914 -10.903 -2.490 324 HD23 LEU 69 HD23 LEU 69 3.826 -12.374 -3.459 325 HA PRO 70 HA PRO 70 8.275 -13.501 1.674 326 HB2 PRO 70 HB2 PRO 70 7.100 -16.050 0.722 327 HB3 PRO 70 HB1 PRO 70 7.206 -15.401 2.363 328 HG2 PRO 70 HG2 PRO 70 4.887 -15.426 1.062 329 HG3 PRO 70 HG1 PRO 70 5.339 -14.056 2.094 330 HD2 PRO 70 HD2 PRO 70 5.416 -14.291 -0.889 331 HD3 PRO 70 HD1 PRO 70 4.913 -12.921 0.123 332 H GLU 71 HN GLU 71 10.369 -13.777 1.252 333 HA GLU 71 HA GLU 71 11.148 -15.139 -1.222 334 HB2 GLU 71 HB2 GLU 71 13.426 -14.091 -0.705 335 HB3 GLU 71 HB1 GLU 71 12.134 -13.015 -1.214 336 HG2 GLU 71 HG2 GLU 71 11.757 -12.339 1.085 337 HG3 GLU 71 HG1 GLU 71 12.997 -13.464 1.635 Start of MODEL 3 1 H2 PRO 26 HT1 PRO 26 11.688 2.736 0.632 2 H3 PRO 26 HT2 PRO 26 13.318 2.577 0.681 3 HA PRO 26 HA PRO 26 13.615 3.432 -1.231 4 HB2 PRO 26 HB2 PRO 26 11.530 2.676 -2.948 5 HB3 PRO 26 HB1 PRO 26 13.147 1.958 -2.875 6 HG2 PRO 26 HG2 PRO 26 10.617 1.054 -1.589 7 HG3 PRO 26 HG1 PRO 26 11.955 0.093 -2.246 8 HD2 PRO 26 HD2 PRO 26 11.664 0.366 0.387 9 HD3 PRO 26 HD1 PRO 26 13.278 0.403 -0.351 10 H ARG 27 HN ARG 27 12.788 5.272 -2.408 11 HA ARG 27 HA ARG 27 10.594 6.553 -0.969 12 HB2 ARG 27 HB2 ARG 27 12.763 7.752 -1.064 13 HB3 ARG 27 HB1 ARG 27 12.657 7.777 -2.818 14 HG2 ARG 27 HG2 ARG 27 11.982 9.909 -2.008 15 HG3 ARG 27 HG1 ARG 27 10.541 9.076 -2.598 16 HD2 ARG 27 HD2 ARG 27 10.172 8.344 -0.188 17 HD3 ARG 27 HD1 ARG 27 11.403 9.531 0.246 18 HE ARG 27 HE ARG 27 9.249 10.562 -1.376 19 HH11 ARG 27 HH11 ARG 27 10.446 10.024 1.873 20 HH12 ARG 27 HH12 ARG 27 9.361 11.166 2.597 21 HH21 ARG 27 HH21 ARG 27 7.814 12.057 -0.424 22 HH22 ARG 27 HH22 ARG 27 7.865 12.329 1.288 23 H GLN 28 HN GLN 28 8.974 5.411 -2.055 24 HA GLN 28 HA GLN 28 8.316 6.575 -4.647 25 HB2 GLN 28 HB2 GLN 28 7.679 4.373 -5.564 26 HB3 GLN 28 HB1 GLN 28 9.402 4.491 -5.238 27 HG2 GLN 28 HG2 GLN 28 9.058 3.261 -3.132 28 HG3 GLN 28 HG1 GLN 28 7.351 3.090 -3.540 29 HE21 GLN 28 HE21 GLN 28 7.435 0.861 -3.610 30 HE22 GLN 28 HE22 GLN 28 8.242 -0.003 -4.871 31 H ILE 29 HN ILE 29 6.041 5.982 -5.296 32 HA ILE 29 HA ILE 29 4.347 6.246 -2.928 33 HB ILE 29 HB ILE 29 3.616 6.643 -5.834 34 HG12 ILE 29 HG12 ILE 29 4.321 8.654 -3.688 35 HG13 ILE 29 HG11 ILE 29 5.278 8.280 -5.115 36 HG21 ILE 29 HG21 ILE 29 1.623 7.751 -4.948 37 HG22 ILE 29 HG22 ILE 29 2.141 7.379 -3.305 38 HG23 ILE 29 HG23 ILE 29 1.708 6.075 -4.409 39 HD11 ILE 29 HD11 ILE 29 2.527 9.483 -5.143 40 HD12 ILE 29 HD12 ILE 29 3.559 9.190 -6.542 41 HD13 ILE 29 HD13 ILE 29 4.034 10.375 -5.328 42 H ALA 30 HN ALA 30 3.403 4.488 -2.164 43 HA ALA 30 HA ALA 30 2.981 2.184 -3.899 44 HB1 ALA 30 HB1 ALA 30 2.483 2.517 -0.941 45 HB2 ALA 30 HB2 ALA 30 3.916 1.798 -1.673 46 HB3 ALA 30 HB3 ALA 30 2.347 1.012 -1.847 47 H ARG 31 HN ARG 31 0.870 1.150 -3.990 48 HA ARG 31 HA ARG 31 -1.353 3.012 -3.537 49 HB2 ARG 31 HB2 ARG 31 -1.026 1.281 -5.994 50 HB3 ARG 31 HB1 ARG 31 -2.363 2.370 -5.656 51 HG2 ARG 31 HG2 ARG 31 -0.683 4.249 -5.676 52 HG3 ARG 31 HG1 ARG 31 0.482 3.083 -6.309 53 HD2 ARG 31 HD2 ARG 31 -2.107 3.969 -7.563 54 HD3 ARG 31 HD1 ARG 31 -0.476 4.248 -8.164 55 HE ARG 31 HE ARG 31 -0.339 1.837 -8.584 56 HH11 ARG 31 HH11 ARG 31 -3.502 3.264 -8.166 57 HH12 ARG 31 HH12 ARG 31 -4.339 1.989 -8.997 58 HH21 ARG 31 HH21 ARG 31 -1.429 0.187 -9.744 59 HH22 ARG 31 HH22 ARG 31 -3.152 0.257 -9.920 60 H TYR 32 HN TYR 32 -2.516 2.064 -2.027 61 HA TYR 32 HA TYR 32 -2.732 -0.853 -2.019 62 HB2 TYR 32 HB2 TYR 32 -3.403 1.219 0.081 63 HB3 TYR 32 HB1 TYR 32 -3.726 -0.504 0.263 64 HD1 TYR 32 HD2 TYR 32 -1.846 -2.104 0.388 65 HD2 TYR 32 HD1 TYR 32 -1.190 2.097 0.369 66 HE1 TYR 32 HE2 TYR 32 0.445 -2.467 1.194 67 HE2 TYR 32 HE1 TYR 32 1.102 1.743 1.176 68 HH TYR 32 HH TYR 32 2.560 -1.380 1.260 69 H ARG 33 HN ARG 33 -4.486 -1.825 -2.727 70 HA ARG 33 HA ARG 33 -6.823 -0.184 -3.353 71 HB2 ARG 33 HB2 ARG 33 -6.017 -1.574 -5.172 72 HB3 ARG 33 HB1 ARG 33 -6.079 -3.008 -4.152 73 HG2 ARG 33 HG2 ARG 33 -8.535 -2.727 -3.985 74 HG3 ARG 33 HG1 ARG 33 -8.425 -1.382 -5.119 75 HD2 ARG 33 HD2 ARG 33 -7.607 -2.833 -6.848 76 HD3 ARG 33 HD1 ARG 33 -7.477 -4.179 -5.715 77 HE ARG 33 HE ARG 33 -10.114 -3.413 -5.639 78 HH11 ARG 33 HH11 ARG 33 -7.901 -4.550 -8.106 79 HH12 ARG 33 HH12 ARG 33 -9.140 -5.332 -9.032 80 HH21 ARG 33 HH21 ARG 33 -11.750 -4.453 -6.857 81 HH22 ARG 33 HH22 ARG 33 -11.328 -5.265 -8.332 82 H THR 34 HN THR 34 -8.607 -0.252 -2.197 83 HA THR 34 HA THR 34 -8.831 -2.172 -0.020 84 HB THR 34 HB THR 34 -10.654 -0.789 0.779 85 HG1 THR 34 HG1 THR 34 -10.098 0.972 -1.393 86 HG21 THR 34 HG21 THR 34 -8.387 -0.226 1.444 87 HG22 THR 34 HG22 THR 34 -9.339 1.247 1.243 88 HG23 THR 34 HG23 THR 34 -8.189 0.763 -0.002 89 H ASP 35 HN ASP 35 -10.909 -3.250 0.347 90 HA ASP 35 HA ASP 35 -11.719 -4.671 -1.953 91 HB2 ASP 35 HB2 ASP 35 -11.760 -5.596 0.348 92 HB3 ASP 35 HB1 ASP 35 -13.081 -4.505 0.743 93 H ASN 36 HN ASN 36 -12.686 -1.708 -0.641 94 HA ASN 36 HA ASN 36 -15.338 -1.585 -1.702 95 HB2 ASN 36 HB2 ASN 36 -13.583 0.795 -1.107 96 HB3 ASN 36 HB1 ASN 36 -15.337 0.686 -1.024 97 HD21 ASN 36 HD21 ASN 36 -12.352 0.101 0.594 98 HD22 ASN 36 HD22 ASN 36 -13.023 -0.364 2.123 99 H GLY 37 HN GLY 37 -12.212 -1.359 -3.025 100 HA2 GLY 37 HA2 GLY 37 -11.849 -1.296 -5.375 101 HA3 GLY 37 HA1 GLY 37 -13.338 -0.377 -5.550 102 H GLU 38 HN GLU 38 -11.998 0.992 -2.989 103 HA GLU 38 HA GLU 38 -11.063 3.278 -4.441 104 HB2 GLU 38 HB2 GLU 38 -10.944 2.652 -1.490 105 HB3 GLU 38 HB1 GLU 38 -10.607 4.219 -2.200 106 HG2 GLU 38 HG2 GLU 38 -13.246 2.766 -2.153 107 HG3 GLU 38 HG1 GLU 38 -12.817 4.219 -1.252 108 H GLU 39 HN GLU 39 -9.034 3.787 -4.964 109 HA GLU 39 HA GLU 39 -6.864 2.073 -3.988 110 HB2 GLU 39 HB2 GLU 39 -6.820 4.133 -6.204 111 HB3 GLU 39 HB1 GLU 39 -5.516 3.030 -5.788 112 HG2 GLU 39 HG2 GLU 39 -7.042 1.140 -6.367 113 HG3 GLU 39 HG1 GLU 39 -8.193 2.337 -6.962 114 H PHE 40 HN PHE 40 -5.270 2.853 -2.707 115 HA PHE 40 HA PHE 40 -5.507 5.696 -1.952 116 HB2 PHE 40 HB2 PHE 40 -4.919 3.288 -0.234 117 HB3 PHE 40 HB1 PHE 40 -4.576 4.930 0.294 118 HD1 PHE 40 HD1 PHE 40 -7.364 2.810 -0.982 119 HD2 PHE 40 HD2 PHE 40 -6.204 6.149 1.386 120 HE1 PHE 40 HE1 PHE 40 -9.663 3.018 -0.159 121 HE2 PHE 40 HE2 PHE 40 -8.517 6.370 2.201 122 HZ PHE 40 HZ PHE 40 -10.249 4.794 1.432 123 H GLU 41 HN GLU 41 -3.807 6.904 -2.288 124 HA GLU 41 HA GLU 41 -1.272 5.681 -3.035 125 HB2 GLU 41 HB2 GLU 41 -0.652 8.043 -3.636 126 HB3 GLU 41 HB1 GLU 41 -2.018 7.388 -4.529 127 HG2 GLU 41 HG2 GLU 41 -3.566 8.613 -3.148 128 HG3 GLU 41 HG1 GLU 41 -2.249 9.184 -2.125 129 H VAL 42 HN VAL 42 0.567 5.820 -1.865 130 HA VAL 42 HA VAL 42 0.719 7.595 0.419 131 HB VAL 42 HB VAL 42 1.609 5.631 1.840 132 HG11 VAL 42 HG11 VAL 42 -0.637 5.118 2.698 133 HG12 VAL 42 HG12 VAL 42 -1.343 5.893 1.281 134 HG13 VAL 42 HG13 VAL 42 -0.407 6.847 2.433 135 HG21 VAL 42 HG21 VAL 42 1.636 3.927 0.158 136 HG22 VAL 42 HG22 VAL 42 -0.085 4.152 -0.150 137 HG23 VAL 42 HG23 VAL 42 0.455 3.501 1.399 138 HA PRO 43 HA PRO 43 4.823 7.406 -1.504 139 HB2 PRO 43 HB2 PRO 43 4.996 10.093 -0.331 140 HB3 PRO 43 HB1 PRO 43 5.205 9.585 -2.011 141 HG2 PRO 43 HG2 PRO 43 3.045 10.983 -1.276 142 HG3 PRO 43 HG1 PRO 43 2.917 9.658 -2.457 143 HD2 PRO 43 HD2 PRO 43 2.332 9.598 0.491 144 HD3 PRO 43 HD1 PRO 43 1.322 9.031 -0.862 145 H PHE 44 HN PHE 44 5.690 5.951 -0.100 146 HA PHE 44 HA PHE 44 6.012 6.487 2.694 147 HB2 PHE 44 HB2 PHE 44 6.970 4.272 0.898 148 HB3 PHE 44 HB1 PHE 44 7.437 4.365 2.591 149 HD1 PHE 44 HD2 PHE 44 5.357 4.781 4.219 150 HD2 PHE 44 HD1 PHE 44 5.175 2.946 0.386 151 HE1 PHE 44 HE2 PHE 44 3.277 3.642 4.869 152 HE2 PHE 44 HE1 PHE 44 3.098 1.803 1.029 153 HZ PHE 44 HZ PHE 44 2.146 2.148 3.274 154 H ALA 45 HN ALA 45 8.027 6.479 3.816 155 HA ALA 45 HA ALA 45 9.960 8.252 2.736 156 HB1 ALA 45 HB1 ALA 45 11.172 7.850 4.822 157 HB2 ALA 45 HB2 ALA 45 10.091 6.508 5.193 158 HB3 ALA 45 HB3 ALA 45 9.461 8.154 5.127 159 H ASP 46 HN ASP 46 12.241 7.768 2.422 160 HA ASP 46 HA ASP 46 12.589 5.581 0.682 161 HB2 ASP 46 HB2 ASP 46 13.869 7.740 0.593 162 HB3 ASP 46 HB1 ASP 46 14.779 7.185 1.992 163 H ASP 47 HN ASP 47 13.122 6.016 4.027 164 HA ASP 47 HA ASP 47 14.716 3.611 4.327 165 HB2 ASP 47 HB2 ASP 47 14.750 4.228 6.729 166 HB3 ASP 47 HB1 ASP 47 15.298 5.539 5.692 167 H ALA 48 HN ALA 48 11.555 4.078 3.821 168 HA ALA 48 HA ALA 48 10.637 2.172 5.846 169 HB1 ALA 48 HB1 ALA 48 9.039 3.835 3.905 170 HB2 ALA 48 HB2 ALA 48 9.334 4.227 5.597 171 HB3 ALA 48 HB3 ALA 48 8.378 2.806 5.176 172 H GLU 49 HN GLU 49 9.914 0.181 5.360 173 HA GLU 49 HA GLU 49 10.334 -0.803 2.655 174 HB2 GLU 49 HB2 GLU 49 9.897 -3.036 3.698 175 HB3 GLU 49 HB1 GLU 49 11.253 -2.166 4.400 176 HG2 GLU 49 HG2 GLU 49 9.795 -1.463 6.264 177 HG3 GLU 49 HG1 GLU 49 8.491 -2.428 5.573 178 H ILE 50 HN ILE 50 8.707 -1.721 1.381 179 HA ILE 50 HA ILE 50 6.035 -0.743 2.104 180 HB ILE 50 HB ILE 50 7.156 -1.262 -0.639 181 HG12 ILE 50 HG12 ILE 50 6.742 1.265 0.968 182 HG13 ILE 50 HG11 ILE 50 8.267 0.621 0.373 183 HG21 ILE 50 HG21 ILE 50 4.730 -1.578 -0.502 184 HG22 ILE 50 HG22 ILE 50 5.141 -0.138 -1.435 185 HG23 ILE 50 HG23 ILE 50 4.563 0.021 0.225 186 HD11 ILE 50 HD11 ILE 50 6.025 1.612 -1.350 187 HD12 ILE 50 HD12 ILE 50 7.611 1.069 -1.892 188 HD13 ILE 50 HD13 ILE 50 7.465 2.533 -0.922 189 HA PRO 51 HA PRO 51 4.922 -5.118 1.870 190 HB2 PRO 51 HB2 PRO 51 2.962 -5.024 3.680 191 HB3 PRO 51 HB1 PRO 51 4.659 -4.987 4.174 192 HG2 PRO 51 HG2 PRO 51 2.673 -2.770 4.038 193 HG3 PRO 51 HG1 PRO 51 3.995 -3.026 5.189 194 HD2 PRO 51 HD2 PRO 51 4.042 -1.327 2.948 195 HD3 PRO 51 HD1 PRO 51 5.442 -1.839 3.907 196 H GLY 52 HN GLY 52 2.758 -6.172 1.501 197 HA2 GLY 52 HA2 GLY 52 1.219 -4.596 -0.431 198 HA3 GLY 52 HA1 GLY 52 1.143 -6.335 -0.207 199 H THR 53 HN THR 53 1.046 -4.973 2.793 200 HA THR 53 HA THR 53 -1.820 -4.397 2.665 201 HB THR 53 HB THR 53 -2.028 -5.577 4.921 202 HG1 THR 53 HG1 THR 53 -0.188 -6.369 5.614 203 HG21 THR 53 HG21 THR 53 -2.985 -6.387 2.772 204 HG22 THR 53 HG22 THR 53 -2.537 -7.695 3.871 205 HG23 THR 53 HG23 THR 53 -1.503 -7.302 2.497 206 H TRP 54 HN TRP 54 -2.514 -2.795 3.984 207 HA TRP 54 HA TRP 54 -0.841 -1.585 5.981 208 HB2 TRP 54 HB2 TRP 54 0.266 -0.918 3.848 209 HB3 TRP 54 HB1 TRP 54 -1.233 -0.153 3.342 210 HD1 TRP 54 HD1 TRP 54 -1.673 2.272 4.161 211 HE1 TRP 54 HE1 TRP 54 -0.314 3.957 5.545 212 HE3 TRP 54 HE3 TRP 54 1.964 -0.863 5.905 213 HZ2 TRP 54 HZ2 TRP 54 1.995 3.958 7.176 214 HZ3 TRP 54 HZ3 TRP 54 3.718 0.057 7.362 215 HH2 TRP 54 HH2 TRP 54 3.731 2.419 7.984 216 H LEU 55 HN LEU 55 -2.191 -0.651 7.393 217 HA LEU 55 HA LEU 55 -4.974 -0.481 6.949 218 HB2 LEU 55 HB2 LEU 55 -3.948 -0.757 9.176 219 HB3 LEU 55 HB1 LEU 55 -3.292 0.865 9.068 220 HG LEU 55 HG LEU 55 -5.633 1.742 8.968 221 HD11 LEU 55 HD11 LEU 55 -7.431 0.244 9.734 222 HD12 LEU 55 HD12 LEU 55 -6.322 -1.120 9.608 223 HD13 LEU 55 HD13 LEU 55 -6.780 -0.220 8.163 224 HD21 LEU 55 HD21 LEU 55 -4.338 1.713 11.048 225 HD22 LEU 55 HD22 LEU 55 -4.956 0.104 11.406 226 HD23 LEU 55 HD23 LEU 55 -6.057 1.478 11.343 227 H CYS 56 HN CYS 56 -6.188 1.092 6.056 228 HA CYS 56 HA CYS 56 -4.784 3.561 5.284 229 HB2 CYS 56 HB2 CYS 56 -7.222 2.297 4.016 230 HB3 CYS 56 HB1 CYS 56 -6.345 3.700 3.419 231 HG CYS 56 HG CYS 56 -4.426 0.985 3.789 232 H ARG 57 HN ARG 57 -6.450 5.416 4.911 233 HA ARG 57 HA ARG 57 -7.491 6.064 7.446 234 HB2 ARG 57 HB2 ARG 57 -8.297 8.114 6.395 235 HB3 ARG 57 HB1 ARG 57 -6.646 7.756 5.902 236 HG2 ARG 57 HG2 ARG 57 -7.494 6.817 3.817 237 HG3 ARG 57 HG1 ARG 57 -9.131 7.241 4.311 238 HD2 ARG 57 HD2 ARG 57 -8.241 8.915 2.787 239 HD3 ARG 57 HD1 ARG 57 -8.489 9.601 4.393 240 HE ARG 57 HE ARG 57 -5.843 8.665 4.174 241 HH11 ARG 57 HH11 ARG 57 -7.901 11.215 2.966 242 HH12 ARG 57 HH12 ARG 57 -6.607 12.350 2.771 243 HH21 ARG 57 HH21 ARG 57 -4.123 10.162 3.940 244 HH22 ARG 57 HH22 ARG 57 -4.452 11.753 3.341 245 H ASN 58 HN ASN 58 -8.803 4.084 5.114 246 HA ASN 58 HA ASN 58 -11.564 4.803 5.686 247 HB2 ASN 58 HB2 ASN 58 -12.202 3.168 4.028 248 HB3 ASN 58 HB1 ASN 58 -10.928 4.181 3.368 249 HD21 ASN 58 HD21 ASN 58 -11.750 1.583 2.502 250 HD22 ASN 58 HD22 ASN 58 -10.363 0.548 2.626 251 H GLY 59 HN GLY 59 -9.146 2.747 6.921 252 HA2 GLY 59 HA2 GLY 59 -9.501 1.752 9.069 253 HA3 GLY 59 HA1 GLY 59 -11.197 1.544 8.659 254 H MET 60 HN MET 60 -9.477 0.702 5.988 255 HA MET 60 HA MET 60 -9.485 -2.136 6.772 256 HB2 MET 60 HB2 MET 60 -11.090 -1.649 4.983 257 HB3 MET 60 HB1 MET 60 -9.818 -0.895 4.028 258 HG2 MET 60 HG2 MET 60 -8.636 -3.133 4.094 259 HG3 MET 60 HG1 MET 60 -10.141 -3.797 4.724 260 HE1 MET 60 HE1 MET 60 -9.934 -5.046 1.000 261 HE2 MET 60 HE2 MET 60 -10.058 -5.539 2.690 262 HE3 MET 60 HE3 MET 60 -8.586 -4.767 2.102 263 H GLU 61 HN GLU 61 -7.702 -3.406 6.289 264 HA GLU 61 HA GLU 61 -5.229 -2.079 5.680 265 HB2 GLU 61 HB2 GLU 61 -5.916 -5.013 5.951 266 HB3 GLU 61 HB1 GLU 61 -4.288 -4.395 5.700 267 HG2 GLU 61 HG2 GLU 61 -4.372 -3.219 7.806 268 HG3 GLU 61 HG1 GLU 61 -6.044 -3.724 8.045 269 H GLY 62 HN GLY 62 -5.188 -1.250 3.675 270 HA2 GLY 62 HA2 GLY 62 -6.373 -2.538 1.418 271 HA3 GLY 62 HA1 GLY 62 -5.344 -1.113 1.383 272 H THR 63 HN THR 63 -5.219 -3.150 -0.514 273 HA THR 63 HA THR 63 -2.637 -4.443 0.118 274 HB THR 63 HB THR 63 -4.807 -5.341 -1.772 275 HG1 THR 63 HG1 THR 63 -4.418 -5.732 0.850 276 HG21 THR 63 HG21 THR 63 -2.612 -5.919 -2.648 277 HG22 THR 63 HG22 THR 63 -3.436 -7.366 -2.064 278 HG23 THR 63 HG23 THR 63 -2.163 -6.625 -1.093 279 H LEU 64 HN LEU 64 -1.010 -3.431 -0.853 280 HA LEU 64 HA LEU 64 -1.155 -1.836 -3.153 281 HB2 LEU 64 HB2 LEU 64 0.765 -1.539 -1.874 282 HB3 LEU 64 HB1 LEU 64 1.056 -3.254 -1.722 283 HG LEU 64 HG LEU 64 1.571 -3.191 -4.237 284 HD11 LEU 64 HD11 LEU 64 1.831 -0.294 -3.528 285 HD12 LEU 64 HD12 LEU 64 0.626 -0.992 -4.607 286 HD13 LEU 64 HD13 LEU 64 2.337 -1.036 -5.044 287 HD21 LEU 64 HD21 LEU 64 3.881 -2.550 -3.807 288 HD22 LEU 64 HD22 LEU 64 3.254 -3.545 -2.494 289 HD23 LEU 64 HD23 LEU 64 3.402 -1.801 -2.283 290 H ILE 65 HN ILE 65 -1.044 -2.319 -5.292 291 HA ILE 65 HA ILE 65 -2.007 -4.839 -6.051 292 HB ILE 65 HB ILE 65 -0.830 -2.693 -7.795 293 HG12 ILE 65 HG12 ILE 65 -3.334 -2.415 -8.407 294 HG13 ILE 65 HG11 ILE 65 -3.655 -3.312 -6.932 295 HG21 ILE 65 HG21 ILE 65 -2.423 -5.127 -8.544 296 HG22 ILE 65 HG22 ILE 65 -0.728 -4.822 -8.918 297 HG23 ILE 65 HG23 ILE 65 -1.985 -3.823 -9.645 298 HD11 ILE 65 HD11 ILE 65 -3.826 -0.828 -6.732 299 HD12 ILE 65 HD12 ILE 65 -2.085 -0.743 -7.004 300 HD13 ILE 65 HD13 ILE 65 -2.721 -1.580 -5.588 301 H GLU 66 HN GLU 66 -0.881 -6.505 -5.773 302 HA GLU 66 HA GLU 66 0.730 -8.059 -5.664 303 HB2 GLU 66 HB2 GLU 66 1.664 -6.664 -8.161 304 HB3 GLU 66 HB1 GLU 66 2.215 -8.247 -7.624 305 HG2 GLU 66 HG2 GLU 66 -0.523 -7.442 -8.551 306 HG3 GLU 66 HG1 GLU 66 0.566 -8.638 -9.254 307 H GLY 67 HN GLY 67 1.444 -7.083 -3.706 308 HA2 GLY 67 HA2 GLY 67 4.178 -5.999 -3.944 309 HA3 GLY 67 HA1 GLY 67 3.073 -5.542 -2.657 310 H ASP 68 HN ASP 68 4.560 -6.222 -1.069 311 HA ASP 68 HA ASP 68 5.200 -9.069 -0.999 312 HB2 ASP 68 HB2 ASP 68 7.002 -7.452 -0.539 313 HB3 ASP 68 HB1 ASP 68 6.084 -6.821 0.824 314 H LEU 69 HN LEU 69 3.742 -10.355 -0.109 315 HA LEU 69 HA LEU 69 1.844 -9.253 1.821 316 HB2 LEU 69 HB2 LEU 69 1.837 -11.875 0.321 317 HB3 LEU 69 HB1 LEU 69 0.568 -11.328 1.399 318 HG LEU 69 HG LEU 69 1.367 -9.965 -1.176 319 HD11 LEU 69 HD11 LEU 69 -1.024 -11.674 -0.503 320 HD12 LEU 69 HD12 LEU 69 0.295 -12.102 -1.592 321 HD13 LEU 69 HD13 LEU 69 -0.795 -10.778 -2.005 322 HD21 LEU 69 HD21 LEU 69 -0.906 -9.421 0.734 323 HD22 LEU 69 HD22 LEU 69 -0.664 -8.637 -0.826 324 HD23 LEU 69 HD23 LEU 69 0.501 -8.392 0.472 325 HA PRO 70 HA PRO 70 4.083 -11.306 5.142 326 HB2 PRO 70 HB2 PRO 70 1.613 -10.631 6.628 327 HB3 PRO 70 HB1 PRO 70 3.295 -10.242 7.006 328 HG2 PRO 70 HG2 PRO 70 1.634 -8.357 6.127 329 HG3 PRO 70 HG1 PRO 70 3.323 -8.405 5.584 330 HD2 PRO 70 HD2 PRO 70 0.852 -9.329 4.154 331 HD3 PRO 70 HD1 PRO 70 2.239 -8.410 3.528 332 H GLU 71 HN GLU 71 4.094 -13.449 5.411 333 HA GLU 71 HA GLU 71 1.696 -14.992 4.843 334 HB2 GLU 71 HB2 GLU 71 3.974 -15.597 3.924 335 HB3 GLU 71 HB1 GLU 71 4.448 -16.013 5.565 336 HG2 GLU 71 HG2 GLU 71 3.875 -18.037 4.528 337 HG3 GLU 71 HG1 GLU 71 2.517 -17.638 5.577 Start of MODEL 4 1 H2 PRO 26 HT1 PRO 26 12.867 3.455 -6.227 2 H3 PRO 26 HT2 PRO 26 12.632 2.009 -5.506 3 HA PRO 26 HA PRO 26 12.447 2.892 -3.618 4 HB2 PRO 26 HB2 PRO 26 14.832 4.616 -3.649 5 HB3 PRO 26 HB1 PRO 26 14.350 3.369 -2.488 6 HG2 PRO 26 HG2 PRO 26 16.314 2.928 -4.256 7 HG3 PRO 26 HG1 PRO 26 15.187 1.647 -3.778 8 HD2 PRO 26 HD2 PRO 26 15.211 3.316 -6.270 9 HD3 PRO 26 HD1 PRO 26 14.915 1.578 -6.089 10 H ARG 27 HN ARG 27 12.315 5.141 -2.446 11 HA ARG 27 HA ARG 27 11.216 7.127 -2.351 12 HB2 ARG 27 HB2 ARG 27 12.618 7.471 -5.001 13 HB3 ARG 27 HB1 ARG 27 11.583 8.721 -4.325 14 HG2 ARG 27 HG2 ARG 27 14.057 7.590 -3.031 15 HG3 ARG 27 HG1 ARG 27 13.935 9.147 -3.851 16 HD2 ARG 27 HD2 ARG 27 12.576 8.287 -1.300 17 HD3 ARG 27 HD1 ARG 27 13.776 9.562 -1.507 18 HE ARG 27 HE ARG 27 11.655 10.271 -3.117 19 HH11 ARG 27 HH11 ARG 27 12.186 9.732 0.299 20 HH12 ARG 27 HH12 ARG 27 10.874 10.749 0.793 21 HH21 ARG 27 HH21 ARG 27 9.938 11.615 -2.471 22 HH22 ARG 27 HH22 ARG 27 9.596 11.831 -0.782 23 H GLN 28 HN GLN 28 9.821 4.878 -3.168 24 HA GLN 28 HA GLN 28 8.213 5.652 -5.476 25 HB2 GLN 28 HB2 GLN 28 7.442 3.303 -5.421 26 HB3 GLN 28 HB1 GLN 28 9.189 3.440 -5.551 27 HG2 GLN 28 HG2 GLN 28 9.244 3.133 -3.028 28 HG3 GLN 28 HG1 GLN 28 7.559 2.640 -3.169 29 HE21 GLN 28 HE21 GLN 28 7.057 0.717 -4.230 30 HE22 GLN 28 HE22 GLN 28 8.252 -0.492 -4.530 31 H ILE 29 HN ILE 29 5.986 5.672 -5.435 32 HA ILE 29 HA ILE 29 4.779 6.136 -2.810 33 HB ILE 29 HB ILE 29 3.676 6.674 -5.575 34 HG12 ILE 29 HG12 ILE 29 4.840 8.554 -3.514 35 HG13 ILE 29 HG11 ILE 29 5.606 8.085 -5.023 36 HG21 ILE 29 HG21 ILE 29 2.641 7.503 -2.867 37 HG22 ILE 29 HG22 ILE 29 1.924 6.276 -3.916 38 HG23 ILE 29 HG23 ILE 29 1.956 7.965 -4.427 39 HD11 ILE 29 HD11 ILE 29 3.013 9.581 -4.805 40 HD12 ILE 29 HD12 ILE 29 3.890 9.198 -6.287 41 HD13 ILE 29 HD13 ILE 29 4.588 10.307 -5.108 42 H ALA 30 HN ALA 30 3.421 4.663 -1.928 43 HA ALA 30 HA ALA 30 2.902 2.250 -3.483 44 HB1 ALA 30 HB1 ALA 30 2.394 2.835 -0.567 45 HB2 ALA 30 HB2 ALA 30 3.795 1.993 -1.227 46 HB3 ALA 30 HB3 ALA 30 2.191 1.272 -1.358 47 H ARG 31 HN ARG 31 0.804 1.336 -3.620 48 HA ARG 31 HA ARG 31 -1.400 3.233 -3.276 49 HB2 ARG 31 HB2 ARG 31 -0.742 3.445 -5.610 50 HB3 ARG 31 HB1 ARG 31 -0.792 1.698 -5.814 51 HG2 ARG 31 HG2 ARG 31 -3.209 1.729 -5.378 52 HG3 ARG 31 HG1 ARG 31 -3.145 3.487 -5.231 53 HD2 ARG 31 HD2 ARG 31 -2.261 1.992 -7.691 54 HD3 ARG 31 HD1 ARG 31 -3.901 2.593 -7.465 55 HE ARG 31 HE ARG 31 -1.748 4.539 -7.214 56 HH11 ARG 31 HH11 ARG 31 -4.269 3.122 -9.197 57 HH12 ARG 31 HH12 ARG 31 -4.307 4.444 -10.319 58 HH21 ARG 31 HH21 ARG 31 -1.811 6.292 -8.678 59 HH22 ARG 31 HH22 ARG 31 -2.917 6.261 -10.012 60 H TYR 32 HN TYR 32 -2.633 2.242 -1.851 61 HA TYR 32 HA TYR 32 -2.818 -0.678 -1.904 62 HB2 TYR 32 HB2 TYR 32 -3.610 1.325 0.224 63 HB3 TYR 32 HB1 TYR 32 -3.758 -0.421 0.379 64 HD1 TYR 32 HD2 TYR 32 -1.673 -1.835 0.401 65 HD2 TYR 32 HD1 TYR 32 -1.552 2.415 0.602 66 HE1 TYR 32 HE2 TYR 32 0.620 -1.934 1.272 67 HE2 TYR 32 HE1 TYR 32 0.743 2.318 1.476 68 HH TYR 32 HH TYR 32 2.607 -0.520 1.407 69 H ARG 33 HN ARG 33 -4.543 -1.650 -2.690 70 HA ARG 33 HA ARG 33 -6.966 -0.073 -3.175 71 HB2 ARG 33 HB2 ARG 33 -5.911 -1.282 -5.074 72 HB3 ARG 33 HB1 ARG 33 -6.213 -2.798 -4.234 73 HG2 ARG 33 HG2 ARG 33 -8.573 -2.501 -4.404 74 HG3 ARG 33 HG1 ARG 33 -8.380 -0.871 -5.046 75 HD2 ARG 33 HD2 ARG 33 -7.408 -3.391 -6.390 76 HD3 ARG 33 HD1 ARG 33 -8.893 -2.533 -6.798 77 HE ARG 33 HE ARG 33 -6.989 -0.622 -7.027 78 HH11 ARG 33 HH11 ARG 33 -7.285 -3.845 -8.355 79 HH12 ARG 33 HH12 ARG 33 -6.436 -3.457 -9.816 80 HH21 ARG 33 HH21 ARG 33 -5.855 -0.103 -8.944 81 HH22 ARG 33 HH22 ARG 33 -5.619 -1.333 -10.154 82 H THR 34 HN THR 34 -8.740 -0.366 -2.018 83 HA THR 34 HA THR 34 -8.631 -2.262 0.179 84 HB THR 34 HB THR 34 -10.570 -1.050 1.034 85 HG1 THR 34 HG1 THR 34 -11.243 0.856 -0.134 86 HG21 THR 34 HG21 THR 34 -9.408 1.074 1.450 87 HG22 THR 34 HG22 THR 34 -8.283 0.707 0.142 88 HG23 THR 34 HG23 THR 34 -8.314 -0.302 1.586 89 H ASP 35 HN ASP 35 -10.909 -3.039 0.865 90 HA ASP 35 HA ASP 35 -11.894 -5.002 -0.818 91 HB2 ASP 35 HB2 ASP 35 -12.411 -5.320 1.403 92 HB3 ASP 35 HB1 ASP 35 -12.824 -3.634 1.660 93 H ASN 36 HN ASN 36 -12.686 -1.625 -0.680 94 HA ASN 36 HA ASN 36 -15.106 -1.915 -2.253 95 HB2 ASN 36 HB2 ASN 36 -13.591 0.503 -1.264 96 HB3 ASN 36 HB1 ASN 36 -15.056 0.604 -2.235 97 HD21 ASN 36 HD21 ASN 36 -14.313 1.390 0.544 98 HD22 ASN 36 HD22 ASN 36 -15.585 0.732 1.526 99 H GLY 37 HN GLY 37 -11.836 -1.915 -2.909 100 HA2 GLY 37 HA2 GLY 37 -10.813 -1.942 -5.008 101 HA3 GLY 37 HA1 GLY 37 -12.282 -1.289 -5.713 102 H GLU 38 HN GLU 38 -11.527 0.462 -3.006 103 HA GLU 38 HA GLU 38 -10.855 2.810 -4.450 104 HB2 GLU 38 HB2 GLU 38 -10.503 2.237 -1.504 105 HB3 GLU 38 HB1 GLU 38 -10.572 3.827 -2.252 106 HG2 GLU 38 HG2 GLU 38 -12.861 3.650 -2.675 107 HG3 GLU 38 HG1 GLU 38 -12.859 1.901 -2.458 108 H GLU 39 HN GLU 39 -8.884 3.724 -4.869 109 HA GLU 39 HA GLU 39 -6.526 2.153 -4.088 110 HB2 GLU 39 HB2 GLU 39 -6.830 4.176 -6.317 111 HB3 GLU 39 HB1 GLU 39 -5.376 3.253 -5.961 112 HG2 GLU 39 HG2 GLU 39 -6.645 1.174 -6.413 113 HG3 GLU 39 HG1 GLU 39 -8.018 2.166 -6.901 114 H PHE 40 HN PHE 40 -5.109 2.977 -2.716 115 HA PHE 40 HA PHE 40 -5.357 5.848 -2.038 116 HB2 PHE 40 HB2 PHE 40 -4.586 3.512 -0.280 117 HB3 PHE 40 HB1 PHE 40 -4.423 5.192 0.202 118 HD1 PHE 40 HD1 PHE 40 -6.949 2.713 -0.939 119 HD2 PHE 40 HD2 PHE 40 -6.177 6.257 1.284 120 HE1 PHE 40 HE1 PHE 40 -9.270 2.699 -0.122 121 HE2 PHE 40 HE2 PHE 40 -8.491 6.245 2.107 122 HZ PHE 40 HZ PHE 40 -10.008 4.420 1.497 123 H GLU 41 HN GLU 41 -3.646 7.028 -2.599 124 HA GLU 41 HA GLU 41 -1.088 5.695 -3.031 125 HB2 GLU 41 HB2 GLU 41 -0.390 7.900 -4.004 126 HB3 GLU 41 HB1 GLU 41 -1.703 7.101 -4.854 127 HG2 GLU 41 HG2 GLU 41 -3.308 8.574 -3.741 128 HG3 GLU 41 HG1 GLU 41 -1.981 9.380 -2.906 129 H VAL 42 HN VAL 42 0.649 5.984 -1.798 130 HA VAL 42 HA VAL 42 0.684 7.994 0.288 131 HB VAL 42 HB VAL 42 1.348 6.200 1.986 132 HG11 VAL 42 HG11 VAL 42 -1.505 6.425 1.031 133 HG12 VAL 42 HG12 VAL 42 -0.710 7.418 2.257 134 HG13 VAL 42 HG13 VAL 42 -1.026 5.709 2.567 135 HG21 VAL 42 HG21 VAL 42 0.270 4.020 1.658 136 HG22 VAL 42 HG22 VAL 42 1.578 4.329 0.513 137 HG23 VAL 42 HG23 VAL 42 -0.101 4.481 -0.004 138 HA PRO 43 HA PRO 43 4.872 7.498 -1.302 139 HB2 PRO 43 HB2 PRO 43 5.206 10.186 -0.165 140 HB3 PRO 43 HB1 PRO 43 5.388 9.648 -1.837 141 HG2 PRO 43 HG2 PRO 43 3.318 11.185 -1.143 142 HG3 PRO 43 HG1 PRO 43 3.104 9.835 -2.286 143 HD2 PRO 43 HD2 PRO 43 2.558 9.868 0.674 144 HD3 PRO 43 HD1 PRO 43 1.478 9.382 -0.658 145 H PHE 44 HN PHE 44 5.792 6.069 0.036 146 HA PHE 44 HA PHE 44 6.249 6.637 2.833 147 HB2 PHE 44 HB2 PHE 44 6.941 4.322 1.037 148 HB3 PHE 44 HB1 PHE 44 7.587 4.446 2.667 149 HD1 PHE 44 HD1 PHE 44 4.583 3.918 0.655 150 HD2 PHE 44 HD2 PHE 44 6.206 4.093 4.582 151 HE1 PHE 44 HE1 PHE 44 2.570 2.821 1.535 152 HE2 PHE 44 HE2 PHE 44 4.190 3.001 5.473 153 HZ PHE 44 HZ PHE 44 2.366 2.358 3.945 154 H ALA 45 HN ALA 45 8.370 6.595 3.800 155 HA ALA 45 HA ALA 45 10.466 7.813 2.282 156 HB1 ALA 45 HB1 ALA 45 11.824 7.498 4.290 157 HB2 ALA 45 HB2 ALA 45 10.578 6.461 4.985 158 HB3 ALA 45 HB3 ALA 45 10.249 8.172 4.707 159 H ASP 46 HN ASP 46 12.280 6.819 1.396 160 HA ASP 46 HA ASP 46 11.773 4.175 0.455 161 HB2 ASP 46 HB2 ASP 46 13.781 4.435 -0.872 162 HB3 ASP 46 HB1 ASP 46 12.830 5.914 -0.952 163 H ASP 47 HN ASP 47 12.937 5.137 3.329 164 HA ASP 47 HA ASP 47 15.049 3.210 3.668 165 HB2 ASP 47 HB2 ASP 47 13.556 4.876 5.690 166 HB3 ASP 47 HB1 ASP 47 14.957 3.882 6.055 167 H ALA 48 HN ALA 48 11.681 3.075 3.637 168 HA ALA 48 HA ALA 48 11.604 0.765 5.463 169 HB1 ALA 48 HB1 ALA 48 9.177 1.166 5.597 170 HB2 ALA 48 HB2 ALA 48 9.365 2.557 4.528 171 HB3 ALA 48 HB3 ALA 48 10.117 2.561 6.124 172 H GLU 49 HN GLU 49 9.997 -0.944 4.847 173 HA GLU 49 HA GLU 49 10.368 -1.642 2.040 174 HB2 GLU 49 HB2 GLU 49 9.181 -3.283 4.289 175 HB3 GLU 49 HB1 GLU 49 9.544 -3.867 2.676 176 HG2 GLU 49 HG2 GLU 49 11.307 -4.656 3.939 177 HG3 GLU 49 HG1 GLU 49 11.970 -3.199 3.202 178 H ILE 50 HN ILE 50 8.570 -2.384 0.735 179 HA ILE 50 HA ILE 50 6.103 -0.932 1.406 180 HB ILE 50 HB ILE 50 7.046 -1.876 -1.307 181 HG12 ILE 50 HG12 ILE 50 8.470 -0.080 -0.432 182 HG13 ILE 50 HG11 ILE 50 7.489 0.494 -1.775 183 HG21 ILE 50 HG21 ILE 50 5.239 -0.492 -2.191 184 HG22 ILE 50 HG22 ILE 50 4.738 -0.087 -0.549 185 HG23 ILE 50 HG23 ILE 50 4.614 -1.752 -1.124 186 HD11 ILE 50 HD11 ILE 50 7.610 2.146 -0.015 187 HD12 ILE 50 HD12 ILE 50 6.960 0.986 1.144 188 HD13 ILE 50 HD13 ILE 50 5.957 1.551 -0.194 189 HA PRO 51 HA PRO 51 4.512 -5.147 1.680 190 HB2 PRO 51 HB2 PRO 51 2.634 -4.662 3.509 191 HB3 PRO 51 HB1 PRO 51 4.342 -4.731 3.954 192 HG2 PRO 51 HG2 PRO 51 2.573 -2.359 3.580 193 HG3 PRO 51 HG1 PRO 51 3.874 -2.613 4.756 194 HD2 PRO 51 HD2 PRO 51 4.082 -1.179 2.363 195 HD3 PRO 51 HD1 PRO 51 5.440 -1.777 3.335 196 H GLY 52 HN GLY 52 2.234 -6.017 1.485 197 HA2 GLY 52 HA2 GLY 52 0.773 -4.427 -0.506 198 HA3 GLY 52 HA1 GLY 52 0.637 -6.155 -0.285 199 H THR 53 HN THR 53 0.690 -4.417 2.611 200 HA THR 53 HA THR 53 -2.174 -3.900 2.629 201 HB THR 53 HB THR 53 -2.268 -5.012 4.959 202 HG1 THR 53 HG1 THR 53 -0.499 -6.029 5.513 203 HG21 THR 53 HG21 THR 53 -2.909 -7.184 3.966 204 HG22 THR 53 HG22 THR 53 -2.159 -6.692 2.448 205 HG23 THR 53 HG23 THR 53 -3.562 -5.819 3.060 206 H TRP 54 HN TRP 54 -2.734 -2.225 3.905 207 HA TRP 54 HA TRP 54 -1.000 -1.176 5.953 208 HB2 TRP 54 HB2 TRP 54 0.019 -0.443 3.745 209 HB3 TRP 54 HB1 TRP 54 -1.435 0.509 3.485 210 HD1 TRP 54 HD1 TRP 54 -1.275 2.934 4.275 211 HE1 TRP 54 HE1 TRP 54 0.256 4.252 5.868 212 HE3 TRP 54 HE3 TRP 54 1.470 -0.951 6.140 213 HZ2 TRP 54 HZ2 TRP 54 2.334 3.701 7.702 214 HZ3 TRP 54 HZ3 TRP 54 3.207 -0.472 7.813 215 HH2 TRP 54 HH2 TRP 54 3.629 1.807 8.577 216 H LEU 55 HN LEU 55 -2.228 -0.147 7.421 217 HA LEU 55 HA LEU 55 -5.012 -0.088 7.230 218 HB2 LEU 55 HB2 LEU 55 -3.766 -0.105 9.356 219 HB3 LEU 55 HB1 LEU 55 -3.237 1.536 9.053 220 HG LEU 55 HG LEU 55 -5.622 2.267 9.121 221 HD11 LEU 55 HD11 LEU 55 -7.271 0.743 10.098 222 HD12 LEU 55 HD12 LEU 55 -6.092 -0.565 10.031 223 HD13 LEU 55 HD13 LEU 55 -6.682 0.164 8.541 224 HD21 LEU 55 HD21 LEU 55 -5.852 2.078 11.554 225 HD22 LEU 55 HD22 LEU 55 -4.208 2.504 11.078 226 HD23 LEU 55 HD23 LEU 55 -4.585 0.850 11.570 227 H CYS 56 HN CYS 56 -6.389 1.266 6.290 228 HA CYS 56 HA CYS 56 -5.355 3.880 5.416 229 HB2 CYS 56 HB2 CYS 56 -7.559 2.224 4.162 230 HB3 CYS 56 HB1 CYS 56 -6.936 3.755 3.557 231 HG CYS 56 HG CYS 56 -4.606 1.372 3.929 232 H ARG 57 HN ARG 57 -7.287 5.459 5.063 233 HA ARG 57 HA ARG 57 -8.350 5.948 7.625 234 HB2 ARG 57 HB2 ARG 57 -9.084 7.176 4.969 235 HB3 ARG 57 HB1 ARG 57 -9.585 7.800 6.532 236 HG2 ARG 57 HG2 ARG 57 -6.766 7.590 5.505 237 HG3 ARG 57 HG1 ARG 57 -7.712 9.064 5.701 238 HD2 ARG 57 HD2 ARG 57 -7.841 8.577 8.146 239 HD3 ARG 57 HD1 ARG 57 -6.738 7.228 7.885 240 HE ARG 57 HE ARG 57 -6.003 10.012 7.243 241 HH11 ARG 57 HH11 ARG 57 -5.295 6.939 8.772 242 HH12 ARG 57 HH12 ARG 57 -3.693 7.399 9.240 243 HH21 ARG 57 HH21 ARG 57 -3.893 10.621 7.866 244 HH22 ARG 57 HH22 ARG 57 -2.896 9.493 8.730 245 H ASN 58 HN ASN 58 -9.505 3.968 5.109 246 HA ASN 58 HA ASN 58 -12.285 4.196 5.847 247 HB2 ASN 58 HB2 ASN 58 -12.728 2.533 4.160 248 HB3 ASN 58 HB1 ASN 58 -11.598 3.708 3.503 249 HD21 ASN 58 HD21 ASN 58 -12.076 1.074 2.555 250 HD22 ASN 58 HD22 ASN 58 -10.577 0.213 2.670 251 H GLY 59 HN GLY 59 -9.583 2.540 7.052 252 HA2 GLY 59 HA2 GLY 59 -9.793 1.571 9.233 253 HA3 GLY 59 HA1 GLY 59 -11.418 1.048 8.813 254 H MET 60 HN MET 60 -9.707 0.412 6.153 255 HA MET 60 HA MET 60 -9.094 -2.329 7.040 256 HB2 MET 60 HB2 MET 60 -10.896 -2.264 5.398 257 HB3 MET 60 HB1 MET 60 -9.913 -1.285 4.319 258 HG2 MET 60 HG2 MET 60 -8.285 -3.233 4.284 259 HG3 MET 60 HG1 MET 60 -9.567 -4.174 5.043 260 HE1 MET 60 HE1 MET 60 -8.116 -4.835 2.180 261 HE2 MET 60 HE2 MET 60 -9.538 -5.453 1.340 262 HE3 MET 60 HE3 MET 60 -9.267 -5.859 3.034 263 H GLU 61 HN GLU 61 -7.151 -3.277 6.377 264 HA GLU 61 HA GLU 61 -5.049 -1.515 5.506 265 HB2 GLU 61 HB2 GLU 61 -5.104 -4.515 5.881 266 HB3 GLU 61 HB1 GLU 61 -3.668 -3.593 5.459 267 HG2 GLU 61 HG2 GLU 61 -3.881 -2.349 7.573 268 HG3 GLU 61 HG1 GLU 61 -5.269 -3.353 7.993 269 H GLY 62 HN GLY 62 -5.328 -0.785 3.487 270 HA2 GLY 62 HA2 GLY 62 -6.519 -2.234 1.375 271 HA3 GLY 62 HA1 GLY 62 -5.545 -0.782 1.204 272 H THR 63 HN THR 63 -5.540 -3.042 -0.553 273 HA THR 63 HA THR 63 -2.988 -4.369 0.025 274 HB THR 63 HB THR 63 -4.999 -4.972 -2.130 275 HG1 THR 63 HG1 THR 63 -4.942 -5.582 0.543 276 HG21 THR 63 HG21 THR 63 -3.837 -7.117 -2.302 277 HG22 THR 63 HG22 THR 63 -2.693 -6.598 -1.065 278 HG23 THR 63 HG23 THR 63 -2.739 -5.774 -2.622 279 H LEU 64 HN LEU 64 -1.282 -3.235 -0.716 280 HA LEU 64 HA LEU 64 -1.299 -1.680 -3.088 281 HB2 LEU 64 HB2 LEU 64 0.332 -1.186 -1.426 282 HB3 LEU 64 HB1 LEU 64 0.902 -2.833 -1.395 283 HG LEU 64 HG LEU 64 2.356 -1.003 -2.463 284 HD11 LEU 64 HD11 LEU 64 3.299 -2.586 -4.045 285 HD12 LEU 64 HD12 LEU 64 1.849 -3.581 -3.916 286 HD13 LEU 64 HD13 LEU 64 2.898 -3.365 -2.513 287 HD21 LEU 64 HD21 LEU 64 1.949 -0.289 -4.584 288 HD22 LEU 64 HD22 LEU 64 0.312 -0.356 -3.918 289 HD23 LEU 64 HD23 LEU 64 0.902 -1.657 -4.947 290 H ILE 65 HN ILE 65 -0.714 -2.212 -5.109 291 HA ILE 65 HA ILE 65 -1.391 -4.893 -5.813 292 HB ILE 65 HB ILE 65 -0.495 -2.639 -7.584 293 HG12 ILE 65 HG12 ILE 65 -3.027 -2.703 -8.200 294 HG13 ILE 65 HG11 ILE 65 -3.218 -3.540 -6.668 295 HG21 ILE 65 HG21 ILE 65 -1.791 -5.260 -8.278 296 HG22 ILE 65 HG22 ILE 65 -0.140 -4.771 -8.654 297 HG23 ILE 65 HG23 ILE 65 -1.500 -3.942 -9.412 298 HD11 ILE 65 HD11 ILE 65 -2.436 -1.622 -5.456 299 HD12 ILE 65 HD12 ILE 65 -3.695 -1.105 -6.573 300 HD13 ILE 65 HD13 ILE 65 -2.000 -0.800 -6.953 301 H GLU 66 HN GLU 66 0.053 -6.291 -5.327 302 HA GLU 66 HA GLU 66 1.869 -7.600 -5.296 303 HB2 GLU 66 HB2 GLU 66 2.582 -6.039 -7.765 304 HB3 GLU 66 HB1 GLU 66 3.360 -7.532 -7.253 305 HG2 GLU 66 HG2 GLU 66 0.508 -7.146 -8.120 306 HG3 GLU 66 HG1 GLU 66 1.764 -8.083 -8.928 307 H GLY 67 HN GLY 67 2.836 -7.080 -3.432 308 HA2 GLY 67 HA2 GLY 67 5.074 -5.171 -3.602 309 HA3 GLY 67 HA1 GLY 67 3.969 -5.135 -2.238 310 H ASP 68 HN ASP 68 5.996 -5.426 -1.010 311 HA ASP 68 HA ASP 68 7.518 -7.824 -1.290 312 HB2 ASP 68 HB2 ASP 68 7.421 -5.712 0.861 313 HB3 ASP 68 HB1 ASP 68 8.475 -7.117 0.963 314 H LEU 69 HN LEU 69 7.764 -9.474 0.317 315 HA LEU 69 HA LEU 69 5.169 -10.313 1.321 316 HB2 LEU 69 HB2 LEU 69 6.126 -12.515 1.566 317 HB3 LEU 69 HB1 LEU 69 6.457 -11.900 -0.038 318 HG LEU 69 HG LEU 69 8.534 -11.684 2.125 319 HD11 LEU 69 HD11 LEU 69 9.451 -13.822 1.427 320 HD12 LEU 69 HD12 LEU 69 8.090 -14.063 0.333 321 HD13 LEU 69 HD13 LEU 69 7.824 -14.022 2.075 322 HD21 LEU 69 HD21 LEU 69 8.608 -11.826 -0.885 323 HD22 LEU 69 HD22 LEU 69 10.039 -11.900 0.140 324 HD23 LEU 69 HD23 LEU 69 9.036 -10.454 0.136 325 HA PRO 70 HA PRO 70 6.420 -9.191 5.508 326 HB2 PRO 70 HB2 PRO 70 3.779 -10.347 6.133 327 HB3 PRO 70 HB1 PRO 70 4.406 -8.733 6.482 328 HG2 PRO 70 HG2 PRO 70 2.533 -9.095 4.618 329 HG3 PRO 70 HG1 PRO 70 3.847 -7.918 4.389 330 HD2 PRO 70 HD2 PRO 70 3.597 -10.704 3.288 331 HD3 PRO 70 HD1 PRO 70 4.066 -9.207 2.451 332 H GLU 71 HN GLU 71 7.736 -10.564 6.583 333 HA GLU 71 HA GLU 71 6.966 -13.400 6.690 334 HB2 GLU 71 HB2 GLU 71 9.080 -12.982 5.499 335 HB3 GLU 71 HB1 GLU 71 9.728 -12.195 6.932 336 HG2 GLU 71 HG2 GLU 71 9.599 -14.272 8.171 337 HG3 GLU 71 HG1 GLU 71 8.853 -15.072 6.789 Start of MODEL 5 1 H2 PRO 26 HT1 PRO 26 13.215 7.054 -6.681 2 H3 PRO 26 HT2 PRO 26 14.383 6.036 -6.169 3 HA PRO 26 HA PRO 26 14.151 6.699 -4.205 4 HB2 PRO 26 HB2 PRO 26 14.490 9.398 -3.999 5 HB3 PRO 26 HB1 PRO 26 15.826 8.238 -4.092 6 HG2 PRO 26 HG2 PRO 26 14.613 9.912 -6.245 7 HG3 PRO 26 HG1 PRO 26 16.314 9.499 -5.962 8 HD2 PRO 26 HD2 PRO 26 14.827 8.275 -7.860 9 HD3 PRO 26 HD1 PRO 26 16.116 7.440 -6.984 10 H ARG 27 HN ARG 27 12.659 7.726 -2.719 11 HA ARG 27 HA ARG 27 10.589 8.402 -2.060 12 HB2 ARG 27 HB2 ARG 27 11.453 10.554 -2.958 13 HB3 ARG 27 HB1 ARG 27 10.725 10.170 -4.509 14 HG2 ARG 27 HG2 ARG 27 8.505 10.181 -3.439 15 HG3 ARG 27 HG1 ARG 27 9.268 10.643 -1.913 16 HD2 ARG 27 HD2 ARG 27 10.193 12.645 -3.055 17 HD3 ARG 27 HD1 ARG 27 9.282 12.197 -4.494 18 HE ARG 27 HE ARG 27 7.555 12.370 -2.273 19 HH11 ARG 27 HH11 ARG 27 9.396 14.360 -4.483 20 HH12 ARG 27 HH12 ARG 27 8.373 15.749 -4.288 21 HH21 ARG 27 HH21 ARG 27 6.179 14.196 -2.031 22 HH22 ARG 27 HH22 ARG 27 6.537 15.650 -2.909 23 H GLN 28 HN GLN 28 9.481 6.468 -2.359 24 HA GLN 28 HA GLN 28 8.201 6.102 -4.978 25 HB2 GLN 28 HB2 GLN 28 7.937 3.706 -4.246 26 HB3 GLN 28 HB1 GLN 28 9.588 4.235 -4.532 27 HG2 GLN 28 HG2 GLN 28 9.928 4.499 -2.134 28 HG3 GLN 28 HG1 GLN 28 8.270 3.990 -1.836 29 HE21 GLN 28 HE21 GLN 28 8.270 1.915 -3.853 30 HE22 GLN 28 HE22 GLN 28 9.260 0.636 -3.251 31 H ILE 29 HN ILE 29 6.053 5.940 -5.170 32 HA ILE 29 HA ILE 29 4.457 6.407 -2.768 33 HB ILE 29 HB ILE 29 3.661 6.580 -5.676 34 HG12 ILE 29 HG12 ILE 29 4.240 8.736 -3.631 35 HG13 ILE 29 HG11 ILE 29 5.244 8.328 -5.015 36 HG21 ILE 29 HG21 ILE 29 1.608 7.632 -4.855 37 HG22 ILE 29 HG22 ILE 29 2.138 7.377 -3.193 38 HG23 ILE 29 HG23 ILE 29 1.773 5.991 -4.225 39 HD11 ILE 29 HD11 ILE 29 3.435 9.017 -6.510 40 HD12 ILE 29 HD12 ILE 29 3.967 10.324 -5.453 41 HD13 ILE 29 HD13 ILE 29 2.466 9.463 -5.108 42 H ALA 30 HN ALA 30 3.552 4.730 -1.805 43 HA ALA 30 HA ALA 30 3.199 2.239 -3.269 44 HB1 ALA 30 HB1 ALA 30 4.158 2.079 -1.053 45 HB2 ALA 30 HB2 ALA 30 2.564 1.320 -1.051 46 HB3 ALA 30 HB3 ALA 30 2.778 2.924 -0.359 47 H ARG 31 HN ARG 31 1.066 1.113 -3.165 48 HA ARG 31 HA ARG 31 -1.156 3.021 -3.129 49 HB2 ARG 31 HB2 ARG 31 -0.249 1.426 -5.526 50 HB3 ARG 31 HB1 ARG 31 -1.850 2.140 -5.402 51 HG2 ARG 31 HG2 ARG 31 -1.047 4.295 -5.578 52 HG3 ARG 31 HG1 ARG 31 0.570 3.847 -5.032 53 HD2 ARG 31 HD2 ARG 31 -0.624 2.950 -7.648 54 HD3 ARG 31 HD1 ARG 31 0.383 4.388 -7.472 55 HE ARG 31 HE ARG 31 1.969 2.536 -6.414 56 HH11 ARG 31 HH11 ARG 31 0.117 2.518 -9.384 57 HH12 ARG 31 HH12 ARG 31 1.190 1.426 -10.198 58 HH21 ARG 31 HH21 ARG 31 3.398 1.119 -7.488 59 HH22 ARG 31 HH22 ARG 31 3.069 0.641 -9.121 60 H TYR 32 HN TYR 32 -2.346 2.042 -1.651 61 HA TYR 32 HA TYR 32 -2.692 -0.862 -1.756 62 HB2 TYR 32 HB2 TYR 32 -3.335 1.116 0.442 63 HB3 TYR 32 HB1 TYR 32 -3.535 -0.631 0.551 64 HD1 TYR 32 HD2 TYR 32 -1.545 -2.098 0.542 65 HD2 TYR 32 HD1 TYR 32 -1.190 2.139 0.743 66 HE1 TYR 32 HE2 TYR 32 0.776 -2.335 1.306 67 HE2 TYR 32 HE1 TYR 32 1.137 1.907 1.504 68 HH TYR 32 HH TYR 32 2.819 -1.084 1.384 69 H ARG 33 HN ARG 33 -4.512 -1.675 -2.556 70 HA ARG 33 HA ARG 33 -6.812 0.118 -2.833 71 HB2 ARG 33 HB2 ARG 33 -6.081 -1.017 -4.881 72 HB3 ARG 33 HB1 ARG 33 -6.288 -2.578 -4.098 73 HG2 ARG 33 HG2 ARG 33 -8.661 -2.249 -3.945 74 HG3 ARG 33 HG1 ARG 33 -8.500 -0.600 -4.542 75 HD2 ARG 33 HD2 ARG 33 -7.507 -2.871 -6.184 76 HD3 ARG 33 HD1 ARG 33 -9.227 -2.505 -6.163 77 HE ARG 33 HE ARG 33 -7.792 -0.142 -6.659 78 HH11 ARG 33 HH11 ARG 33 -8.585 -3.166 -8.226 79 HH12 ARG 33 HH12 ARG 33 -8.541 -2.494 -9.825 80 HH21 ARG 33 HH21 ARG 33 -7.776 0.761 -8.767 81 HH22 ARG 33 HH22 ARG 33 -8.078 -0.282 -10.131 82 H THR 34 HN THR 34 -8.528 -0.071 -1.599 83 HA THR 34 HA THR 34 -8.575 -2.196 0.362 84 HB THR 34 HB THR 34 -10.520 -0.761 1.232 85 HG1 THR 34 HG1 THR 34 -10.708 0.704 -0.442 86 HG21 THR 34 HG21 THR 34 -7.658 0.183 1.338 87 HG22 THR 34 HG22 THR 34 -8.329 -1.126 2.308 88 HG23 THR 34 HG23 THR 34 -8.910 0.523 2.532 89 H ASP 35 HN ASP 35 -11.105 -2.564 1.048 90 HA ASP 35 HA ASP 35 -11.655 -4.649 -0.762 91 HB2 ASP 35 HB2 ASP 35 -12.029 -4.749 1.694 92 HB3 ASP 35 HB1 ASP 35 -13.409 -3.673 1.494 93 H ASN 36 HN ASN 36 -12.878 -1.414 -0.638 94 HA ASN 36 HA ASN 36 -15.251 -2.100 -2.175 95 HB2 ASN 36 HB2 ASN 36 -14.168 0.622 -1.424 96 HB3 ASN 36 HB1 ASN 36 -15.745 0.290 -2.126 97 HD21 ASN 36 HD21 ASN 36 -14.688 1.442 0.471 98 HD22 ASN 36 HD22 ASN 36 -15.633 0.634 1.681 99 H GLY 37 HN GLY 37 -12.005 -1.584 -2.719 100 HA2 GLY 37 HA2 GLY 37 -11.091 -1.912 -4.878 101 HA3 GLY 37 HA1 GLY 37 -12.552 -1.230 -5.570 102 H GLU 38 HN GLU 38 -11.652 0.656 -2.978 103 HA GLU 38 HA GLU 38 -10.699 2.731 -4.753 104 HB2 GLU 38 HB2 GLU 38 -10.478 3.203 -1.853 105 HB3 GLU 38 HB1 GLU 38 -11.221 4.193 -3.101 106 HG2 GLU 38 HG2 GLU 38 -13.084 3.655 -1.942 107 HG3 GLU 38 HG1 GLU 38 -13.037 2.257 -3.016 108 H GLU 39 HN GLU 39 -8.631 3.090 -5.231 109 HA GLU 39 HA GLU 39 -6.596 1.793 -3.600 110 HB2 GLU 39 HB2 GLU 39 -5.008 2.474 -5.387 111 HB3 GLU 39 HB1 GLU 39 -6.299 1.432 -5.952 112 HG2 GLU 39 HG2 GLU 39 -6.433 4.412 -6.224 113 HG3 GLU 39 HG1 GLU 39 -5.633 3.392 -7.414 114 H PHE 40 HN PHE 40 -5.172 2.810 -2.390 115 HA PHE 40 HA PHE 40 -5.488 5.726 -2.116 116 HB2 PHE 40 HB2 PHE 40 -4.832 3.595 -0.083 117 HB3 PHE 40 HB1 PHE 40 -4.564 5.306 0.230 118 HD1 PHE 40 HD1 PHE 40 -7.114 2.743 -0.427 119 HD2 PHE 40 HD2 PHE 40 -6.379 6.761 0.775 120 HE1 PHE 40 HE1 PHE 40 -9.452 2.948 0.308 121 HE2 PHE 40 HE2 PHE 40 -8.714 6.969 1.511 122 HZ PHE 40 HZ PHE 40 -10.247 5.119 1.281 123 H GLU 41 HN GLU 41 -3.666 7.014 -1.905 124 HA GLU 41 HA GLU 41 -1.159 5.701 -2.700 125 HB2 GLU 41 HB2 GLU 41 -0.460 7.885 -3.597 126 HB3 GLU 41 HB1 GLU 41 -1.928 7.297 -4.363 127 HG2 GLU 41 HG2 GLU 41 -3.243 8.781 -2.889 128 HG3 GLU 41 HG1 GLU 41 -1.733 9.414 -2.233 129 H VAL 42 HN VAL 42 0.599 5.900 -1.497 130 HA VAL 42 HA VAL 42 0.681 7.783 0.715 131 HB VAL 42 HB VAL 42 1.598 5.881 2.189 132 HG11 VAL 42 HG11 VAL 42 -0.686 5.232 2.935 133 HG12 VAL 42 HG12 VAL 42 -1.336 6.062 1.520 134 HG13 VAL 42 HG13 VAL 42 -0.466 6.974 2.755 135 HG21 VAL 42 HG21 VAL 42 1.753 4.153 0.546 136 HG22 VAL 42 HG22 VAL 42 0.037 4.295 0.175 137 HG23 VAL 42 HG23 VAL 42 0.552 3.692 1.751 138 HA PRO 43 HA PRO 43 4.686 7.706 -1.377 139 HB2 PRO 43 HB2 PRO 43 4.917 10.356 -0.117 140 HB3 PRO 43 HB1 PRO 43 5.025 9.903 -1.821 141 HG2 PRO 43 HG2 PRO 43 2.892 11.225 -0.926 142 HG3 PRO 43 HG1 PRO 43 2.704 9.904 -2.104 143 HD2 PRO 43 HD2 PRO 43 2.354 9.803 0.882 144 HD3 PRO 43 HD1 PRO 43 1.246 9.242 -0.397 145 H PHE 44 HN PHE 44 5.655 6.191 -0.145 146 HA PHE 44 HA PHE 44 6.685 6.828 2.491 147 HB2 PHE 44 HB2 PHE 44 6.750 4.389 0.740 148 HB3 PHE 44 HB1 PHE 44 7.816 4.514 2.130 149 HD1 PHE 44 HD1 PHE 44 4.359 4.173 1.004 150 HD2 PHE 44 HD2 PHE 44 6.951 4.362 4.373 151 HE1 PHE 44 HE1 PHE 44 2.542 3.348 2.447 152 HE2 PHE 44 HE2 PHE 44 5.140 3.541 5.815 153 HZ PHE 44 HZ PHE 44 2.975 2.945 4.854 154 H ALA 45 HN ALA 45 9.040 6.083 2.826 155 HA ALA 45 HA ALA 45 10.748 7.434 0.906 156 HB1 ALA 45 HB1 ALA 45 11.155 7.839 3.268 157 HB2 ALA 45 HB2 ALA 45 12.532 7.001 2.553 158 HB3 ALA 45 HB3 ALA 45 11.378 6.112 3.547 159 H ASP 46 HN ASP 46 12.333 6.406 -0.284 160 HA ASP 46 HA ASP 46 11.685 3.749 -1.110 161 HB2 ASP 46 HB2 ASP 46 13.632 4.076 -2.670 162 HB3 ASP 46 HB1 ASP 46 12.378 5.306 -2.786 163 H ASP 47 HN ASP 47 13.464 4.830 1.431 164 HA ASP 47 HA ASP 47 15.393 2.637 1.365 165 HB2 ASP 47 HB2 ASP 47 16.367 3.733 3.370 166 HB3 ASP 47 HB1 ASP 47 16.317 4.793 1.967 167 H ALA 48 HN ALA 48 12.294 2.946 2.183 168 HA ALA 48 HA ALA 48 12.509 1.224 4.564 169 HB1 ALA 48 HB1 ALA 48 10.138 2.824 3.586 170 HB2 ALA 48 HB2 ALA 48 11.202 3.264 4.920 171 HB3 ALA 48 HB3 ALA 48 10.184 1.829 5.041 172 H GLU 49 HN GLU 49 10.899 -0.573 4.675 173 HA GLU 49 HA GLU 49 10.700 -1.887 2.099 174 HB2 GLU 49 HB2 GLU 49 9.875 -3.820 3.359 175 HB3 GLU 49 HB1 GLU 49 11.373 -3.210 4.043 176 HG2 GLU 49 HG2 GLU 49 10.084 -2.069 5.794 177 HG3 GLU 49 HG1 GLU 49 8.601 -2.743 5.123 178 H ILE 50 HN ILE 50 8.848 -2.274 0.972 179 HA ILE 50 HA ILE 50 6.492 -0.809 1.955 180 HB ILE 50 HB ILE 50 7.196 -1.351 -0.928 181 HG12 ILE 50 HG12 ILE 50 8.849 0.153 0.079 182 HG13 ILE 50 HG11 ILE 50 7.822 1.028 -1.051 183 HG21 ILE 50 HG21 ILE 50 5.141 0.473 0.316 184 HG22 ILE 50 HG22 ILE 50 4.815 -1.059 -0.494 185 HG23 ILE 50 HG23 ILE 50 5.465 0.302 -1.411 186 HD11 ILE 50 HD11 ILE 50 8.248 2.330 0.951 187 HD12 ILE 50 HD12 ILE 50 7.563 1.045 1.947 188 HD13 ILE 50 HD13 ILE 50 6.536 1.925 0.815 189 HA PRO 51 HA PRO 51 4.898 -5.045 1.785 190 HB2 PRO 51 HB2 PRO 51 2.973 -4.718 3.622 191 HB3 PRO 51 HB1 PRO 51 4.671 -4.869 4.089 192 HG2 PRO 51 HG2 PRO 51 2.990 -2.406 3.829 193 HG3 PRO 51 HG1 PRO 51 4.144 -2.839 5.106 194 HD2 PRO 51 HD2 PRO 51 4.733 -1.148 3.032 195 HD3 PRO 51 HD1 PRO 51 5.948 -2.125 3.879 196 H GLY 52 HN GLY 52 2.648 -5.895 1.429 197 HA2 GLY 52 HA2 GLY 52 1.155 -4.057 -0.328 198 HA3 GLY 52 HA1 GLY 52 1.126 -5.810 -0.437 199 H THR 53 HN THR 53 1.039 -4.517 2.711 200 HA THR 53 HA THR 53 -1.869 -4.291 2.712 201 HB THR 53 HB THR 53 -1.804 -5.519 4.994 202 HG1 THR 53 HG1 THR 53 0.066 -6.398 5.456 203 HG21 THR 53 HG21 THR 53 -2.960 -6.301 2.934 204 HG22 THR 53 HG22 THR 53 -2.324 -7.623 3.913 205 HG23 THR 53 HG23 THR 53 -1.476 -7.123 2.452 206 H TRP 54 HN TRP 54 -2.655 -2.783 4.105 207 HA TRP 54 HA TRP 54 -1.082 -1.468 6.088 208 HB2 TRP 54 HB2 TRP 54 0.024 -0.771 3.920 209 HB3 TRP 54 HB1 TRP 54 -1.481 0.022 3.487 210 HD1 TRP 54 HD1 TRP 54 -1.845 2.433 4.364 211 HE1 TRP 54 HE1 TRP 54 -0.458 4.039 5.814 212 HE3 TRP 54 HE3 TRP 54 1.702 -0.846 6.032 213 HZ2 TRP 54 HZ2 TRP 54 1.835 3.927 7.460 214 HZ3 TRP 54 HZ3 TRP 54 3.458 -0.018 7.541 215 HH2 TRP 54 HH2 TRP 54 3.524 2.320 8.241 216 H LEU 55 HN LEU 55 -2.491 -0.519 7.445 217 HA LEU 55 HA LEU 55 -5.265 -0.457 6.984 218 HB2 LEU 55 HB2 LEU 55 -4.233 -0.512 9.223 219 HB3 LEU 55 HB1 LEU 55 -3.637 1.120 8.984 220 HG LEU 55 HG LEU 55 -5.992 1.912 8.838 221 HD11 LEU 55 HD11 LEU 55 -7.779 0.432 9.621 222 HD12 LEU 55 HD12 LEU 55 -6.642 -0.916 9.663 223 HD13 LEU 55 HD13 LEU 55 -7.054 -0.155 8.124 224 HD21 LEU 55 HD21 LEU 55 -6.452 1.745 11.224 225 HD22 LEU 55 HD22 LEU 55 -4.739 2.047 10.930 226 HD23 LEU 55 HD23 LEU 55 -5.288 0.430 11.365 227 H CYS 56 HN CYS 56 -6.589 1.046 6.058 228 HA CYS 56 HA CYS 56 -5.261 3.479 5.064 229 HB2 CYS 56 HB2 CYS 56 -7.593 1.967 3.868 230 HB3 CYS 56 HB1 CYS 56 -6.855 3.417 3.195 231 HG CYS 56 HG CYS 56 -4.611 1.015 3.695 232 H ARG 57 HN ARG 57 -6.961 5.232 4.540 233 HA ARG 57 HA ARG 57 -7.942 6.128 6.994 234 HB2 ARG 57 HB2 ARG 57 -8.522 7.052 4.187 235 HB3 ARG 57 HB1 ARG 57 -9.116 7.883 5.615 236 HG2 ARG 57 HG2 ARG 57 -6.219 7.424 4.938 237 HG3 ARG 57 HG1 ARG 57 -7.103 8.933 4.721 238 HD2 ARG 57 HD2 ARG 57 -6.530 7.538 7.333 239 HD3 ARG 57 HD1 ARG 57 -5.790 9.026 6.757 240 HE ARG 57 HE ARG 57 -8.511 9.491 6.799 241 HH11 ARG 57 HH11 ARG 57 -6.028 8.662 9.129 242 HH12 ARG 57 HH12 ARG 57 -6.830 9.434 10.459 243 HH21 ARG 57 HH21 ARG 57 -9.576 10.503 8.563 244 HH22 ARG 57 HH22 ARG 57 -8.856 10.455 10.142 245 H ASN 58 HN ASN 58 -9.514 4.196 4.550 246 HA ASN 58 HA ASN 58 -12.158 4.758 5.482 247 HB2 ASN 58 HB2 ASN 58 -12.835 2.770 4.107 248 HB3 ASN 58 HB1 ASN 58 -12.009 4.038 3.215 249 HD21 ASN 58 HD21 ASN 58 -11.685 2.373 1.632 250 HD22 ASN 58 HD22 ASN 58 -10.347 1.274 1.798 251 H GLY 59 HN GLY 59 -9.623 2.778 6.630 252 HA2 GLY 59 HA2 GLY 59 -9.759 1.829 8.807 253 HA3 GLY 59 HA1 GLY 59 -11.499 1.677 8.607 254 H MET 60 HN MET 60 -10.078 0.737 5.796 255 HA MET 60 HA MET 60 -10.151 -2.090 6.581 256 HB2 MET 60 HB2 MET 60 -11.711 -1.532 4.806 257 HB3 MET 60 HB1 MET 60 -10.429 -0.769 3.879 258 HG2 MET 60 HG2 MET 60 -10.972 -2.948 2.974 259 HG3 MET 60 HG1 MET 60 -9.327 -2.923 3.605 260 HE1 MET 60 HE1 MET 60 -12.982 -4.209 4.090 261 HE2 MET 60 HE2 MET 60 -12.763 -3.240 5.549 262 HE3 MET 60 HE3 MET 60 -12.898 -4.995 5.666 263 H GLU 61 HN GLU 61 -8.445 -3.456 6.017 264 HA GLU 61 HA GLU 61 -5.884 -2.163 5.783 265 HB2 GLU 61 HB2 GLU 61 -6.403 -4.246 7.167 266 HB3 GLU 61 HB1 GLU 61 -6.435 -5.126 5.644 267 HG2 GLU 61 HG2 GLU 61 -4.136 -4.582 5.220 268 HG3 GLU 61 HG1 GLU 61 -4.086 -3.534 6.638 269 H GLY 62 HN GLY 62 -5.291 -1.403 3.866 270 HA2 GLY 62 HA2 GLY 62 -6.459 -2.448 1.442 271 HA3 GLY 62 HA1 GLY 62 -5.370 -1.076 1.573 272 H THR 63 HN THR 63 -5.280 -3.079 -0.404 273 HA THR 63 HA THR 63 -2.706 -4.395 0.207 274 HB THR 63 HB THR 63 -4.920 -5.304 -1.622 275 HG1 THR 63 HG1 THR 63 -4.321 -5.775 0.994 276 HG21 THR 63 HG21 THR 63 -2.271 -6.611 -1.025 277 HG22 THR 63 HG22 THR 63 -2.725 -5.840 -2.547 278 HG23 THR 63 HG23 THR 63 -3.565 -7.300 -2.012 279 H LEU 64 HN LEU 64 -1.076 -3.538 -0.857 280 HA LEU 64 HA LEU 64 -1.334 -1.790 -3.079 281 HB2 LEU 64 HB2 LEU 64 0.522 -1.817 -1.396 282 HB3 LEU 64 HB1 LEU 64 1.122 -3.282 -2.124 283 HG LEU 64 HG LEU 64 0.990 -0.548 -3.395 284 HD11 LEU 64 HD11 LEU 64 2.656 -0.690 -1.648 285 HD12 LEU 64 HD12 LEU 64 3.447 -0.689 -3.226 286 HD13 LEU 64 HD13 LEU 64 3.273 -2.196 -2.325 287 HD21 LEU 64 HD21 LEU 64 2.228 -1.519 -5.206 288 HD22 LEU 64 HD22 LEU 64 0.709 -2.390 -4.974 289 HD23 LEU 64 HD23 LEU 64 2.220 -3.086 -4.399 290 H ILE 65 HN ILE 65 -1.443 -2.255 -5.169 291 HA ILE 65 HA ILE 65 -1.976 -4.883 -6.039 292 HB ILE 65 HB ILE 65 -1.264 -2.487 -7.716 293 HG12 ILE 65 HG12 ILE 65 -3.823 -2.562 -8.172 294 HG13 ILE 65 HG11 ILE 65 -3.907 -3.529 -6.706 295 HG21 ILE 65 HG21 ILE 65 -2.575 -5.080 -8.506 296 HG22 ILE 65 HG22 ILE 65 -0.935 -4.570 -8.918 297 HG23 ILE 65 HG23 ILE 65 -2.322 -3.691 -9.566 298 HD11 ILE 65 HD11 ILE 65 -3.208 -1.731 -5.363 299 HD12 ILE 65 HD12 ILE 65 -4.384 -1.056 -6.490 300 HD13 ILE 65 HD13 ILE 65 -2.658 -0.800 -6.757 301 H GLU 66 HN GLU 66 -0.440 -6.258 -5.772 302 HA GLU 66 HA GLU 66 1.487 -7.406 -5.838 303 HB2 GLU 66 HB2 GLU 66 1.901 -5.777 -8.334 304 HB3 GLU 66 HB1 GLU 66 2.857 -7.180 -7.878 305 HG2 GLU 66 HG2 GLU 66 0.794 -8.543 -7.914 306 HG3 GLU 66 HG1 GLU 66 -0.085 -7.131 -8.496 307 H GLY 67 HN GLY 67 2.224 -6.480 -3.910 308 HA2 GLY 67 HA2 GLY 67 4.280 -4.382 -4.224 309 HA3 GLY 67 HA1 GLY 67 3.418 -4.730 -2.729 310 H ASP 68 HN ASP 68 4.915 -5.441 -1.310 311 HA ASP 68 HA ASP 68 6.982 -7.279 -2.216 312 HB2 ASP 68 HB2 ASP 68 7.551 -5.483 -0.580 313 HB3 ASP 68 HB1 ASP 68 6.461 -6.237 0.580 314 H LEU 69 HN LEU 69 6.628 -9.364 -2.272 315 HA LEU 69 HA LEU 69 4.438 -10.482 -0.693 316 HB2 LEU 69 HB2 LEU 69 4.412 -12.344 -2.199 317 HB3 LEU 69 HB1 LEU 69 4.397 -10.872 -3.139 318 HG LEU 69 HG LEU 69 6.866 -12.558 -2.701 319 HD11 LEU 69 HD11 LEU 69 4.990 -12.475 -5.057 320 HD12 LEU 69 HD12 LEU 69 5.168 -13.811 -3.921 321 HD13 LEU 69 HD13 LEU 69 6.508 -13.365 -4.974 322 HD21 LEU 69 HD21 LEU 69 7.489 -10.324 -3.264 323 HD22 LEU 69 HD22 LEU 69 6.260 -10.235 -4.525 324 HD23 LEU 69 HD23 LEU 69 7.651 -11.299 -4.724 325 HA PRO 70 HA PRO 70 7.316 -11.982 2.309 326 HB2 PRO 70 HB2 PRO 70 5.240 -14.092 2.643 327 HB3 PRO 70 HB1 PRO 70 6.004 -13.061 3.858 328 HG2 PRO 70 HG2 PRO 70 3.516 -12.579 3.044 329 HG3 PRO 70 HG1 PRO 70 4.644 -11.248 3.364 330 HD2 PRO 70 HD2 PRO 70 3.725 -12.370 0.752 331 HD3 PRO 70 HD1 PRO 70 4.093 -10.691 1.197 332 H GLU 71 HN GLU 71 8.963 -13.372 2.259 333 HA GLU 71 HA GLU 71 8.804 -15.638 0.386 334 HB2 GLU 71 HB2 GLU 71 10.446 -13.927 -0.245 335 HB3 GLU 71 HB1 GLU 71 11.224 -14.087 1.322 336 HG2 GLU 71 HG2 GLU 71 11.753 -16.438 0.778 337 HG3 GLU 71 HG1 GLU 71 11.053 -16.191 -0.821 Start of MODEL 6 1 H2 PRO 26 HT1 PRO 26 13.950 3.750 -1.073 2 H3 PRO 26 HT2 PRO 26 15.433 4.425 -1.218 3 HA PRO 26 HA PRO 26 14.843 5.766 -2.725 4 HB2 PRO 26 HB2 PRO 26 12.980 3.980 -4.189 5 HB3 PRO 26 HB1 PRO 26 14.217 5.086 -4.809 6 HG2 PRO 26 HG2 PRO 26 14.637 2.444 -4.694 7 HG3 PRO 26 HG1 PRO 26 15.937 3.616 -4.400 8 HD2 PRO 26 HD2 PRO 26 14.428 1.931 -2.458 9 HD3 PRO 26 HD1 PRO 26 16.110 2.477 -2.408 10 H ARG 27 HN ARG 27 12.911 7.026 -3.381 11 HA ARG 27 HA ARG 27 10.865 6.802 -1.303 12 HB2 ARG 27 HB2 ARG 27 11.811 9.150 -2.945 13 HB3 ARG 27 HB1 ARG 27 10.362 9.204 -1.955 14 HG2 ARG 27 HG2 ARG 27 11.706 8.734 0.033 15 HG3 ARG 27 HG1 ARG 27 13.162 8.707 -0.971 16 HD2 ARG 27 HD2 ARG 27 12.832 10.876 0.165 17 HD3 ARG 27 HD1 ARG 27 12.823 11.013 -1.592 18 HE ARG 27 HE ARG 27 10.268 10.827 -0.159 19 HH11 ARG 27 HH11 ARG 27 12.527 12.713 -2.060 20 HH12 ARG 27 HH12 ARG 27 11.359 13.924 -2.477 21 HH21 ARG 27 HH21 ARG 27 8.728 12.420 -0.718 22 HH22 ARG 27 HH22 ARG 27 9.204 13.760 -1.712 23 H GLN 28 HN GLN 28 9.669 5.256 -2.373 24 HA GLN 28 HA GLN 28 8.424 6.077 -4.903 25 HB2 GLN 28 HB2 GLN 28 7.754 3.550 -4.877 26 HB3 GLN 28 HB1 GLN 28 9.379 4.027 -5.344 27 HG2 GLN 28 HG2 GLN 28 10.169 3.543 -3.078 28 HG3 GLN 28 HG1 GLN 28 8.537 3.022 -2.637 29 HE21 GLN 28 HE21 GLN 28 7.735 1.090 -3.471 30 HE22 GLN 28 HE22 GLN 28 8.773 -0.106 -4.163 31 H ILE 29 HN ILE 29 6.179 5.664 -5.217 32 HA ILE 29 HA ILE 29 4.651 6.139 -2.771 33 HB ILE 29 HB ILE 29 3.783 6.441 -5.649 34 HG12 ILE 29 HG12 ILE 29 4.636 8.559 -3.663 35 HG13 ILE 29 HG11 ILE 29 5.616 7.984 -5.005 36 HG21 ILE 29 HG21 ILE 29 1.921 6.072 -4.110 37 HG22 ILE 29 HG22 ILE 29 1.919 7.728 -4.719 38 HG23 ILE 29 HG23 ILE 29 2.500 7.390 -3.089 39 HD11 ILE 29 HD11 ILE 29 4.554 10.105 -5.512 40 HD12 ILE 29 HD12 ILE 29 2.969 9.382 -5.237 41 HD13 ILE 29 HD13 ILE 29 3.970 8.826 -6.578 42 H ALA 30 HN ALA 30 3.447 4.563 -1.914 43 HA ALA 30 HA ALA 30 3.048 2.114 -3.444 44 HB1 ALA 30 HB1 ALA 30 3.886 1.921 -1.163 45 HB2 ALA 30 HB2 ALA 30 2.309 1.144 -1.328 46 HB3 ALA 30 HB3 ALA 30 2.439 2.722 -0.558 47 H ARG 31 HN ARG 31 0.952 1.103 -3.538 48 HA ARG 31 HA ARG 31 -1.294 2.988 -3.384 49 HB2 ARG 31 HB2 ARG 31 -0.518 1.270 -5.748 50 HB3 ARG 31 HB1 ARG 31 -2.130 1.940 -5.553 51 HG2 ARG 31 HG2 ARG 31 -1.296 4.173 -5.685 52 HG3 ARG 31 HG1 ARG 31 0.374 3.605 -5.649 53 HD2 ARG 31 HD2 ARG 31 -0.342 4.224 -7.913 54 HD3 ARG 31 HD1 ARG 31 0.078 2.518 -7.798 55 HE ARG 31 HE ARG 31 -2.510 2.308 -7.492 56 HH11 ARG 31 HH11 ARG 31 -0.826 4.504 -9.630 57 HH12 ARG 31 HH12 ARG 31 -2.079 4.504 -10.825 58 HH21 ARG 31 HH21 ARG 31 -4.155 2.271 -9.078 59 HH22 ARG 31 HH22 ARG 31 -3.971 3.237 -10.513 60 H TYR 32 HN TYR 32 -2.457 2.081 -1.801 61 HA TYR 32 HA TYR 32 -2.692 -0.835 -1.740 62 HB2 TYR 32 HB2 TYR 32 -3.383 1.270 0.321 63 HB3 TYR 32 HB1 TYR 32 -3.658 -0.457 0.534 64 HD1 TYR 32 HD2 TYR 32 -1.696 -2.013 0.535 65 HD2 TYR 32 HD1 TYR 32 -1.233 2.209 0.705 66 HE1 TYR 32 HE2 TYR 32 0.610 -2.305 1.323 67 HE2 TYR 32 HE1 TYR 32 1.074 1.926 1.499 68 HH TYR 32 HH TYR 32 2.672 -1.107 1.434 69 H ARG 33 HN ARG 33 -4.429 -1.808 -2.452 70 HA ARG 33 HA ARG 33 -6.713 -0.148 -3.219 71 HB2 ARG 33 HB2 ARG 33 -5.507 -1.672 -4.848 72 HB3 ARG 33 HB1 ARG 33 -6.183 -3.023 -3.952 73 HG2 ARG 33 HG2 ARG 33 -8.442 -2.208 -4.456 74 HG3 ARG 33 HG1 ARG 33 -7.737 -0.888 -5.393 75 HD2 ARG 33 HD2 ARG 33 -6.624 -2.576 -6.829 76 HD3 ARG 33 HD1 ARG 33 -7.477 -3.840 -5.945 77 HE ARG 33 HE ARG 33 -8.616 -1.945 -7.850 78 HH11 ARG 33 HH11 ARG 33 -9.199 -4.458 -5.478 79 HH12 ARG 33 HH12 ARG 33 -10.722 -4.926 -6.163 80 HH21 ARG 33 HH21 ARG 33 -10.632 -2.539 -8.740 81 HH22 ARG 33 HH22 ARG 33 -11.542 -3.821 -8.011 82 H THR 34 HN THR 34 -8.446 -0.125 -2.015 83 HA THR 34 HA THR 34 -8.848 -2.082 0.081 84 HB THR 34 HB THR 34 -10.747 -0.637 0.713 85 HG1 THR 34 HG1 THR 34 -9.723 1.186 -1.216 86 HG21 THR 34 HG21 THR 34 -8.575 -0.316 1.737 87 HG22 THR 34 HG22 THR 34 -9.317 1.258 1.451 88 HG23 THR 34 HG23 THR 34 -8.048 0.673 0.376 89 H ASP 35 HN ASP 35 -10.992 -3.089 0.391 90 HA ASP 35 HA ASP 35 -11.500 -4.752 -1.776 91 HB2 ASP 35 HB2 ASP 35 -12.015 -5.441 0.494 92 HB3 ASP 35 HB1 ASP 35 -13.264 -4.203 0.614 93 H ASN 36 HN ASN 36 -13.285 -1.871 -0.724 94 HA ASN 36 HA ASN 36 -15.364 -2.223 -2.635 95 HB2 ASN 36 HB2 ASN 36 -16.213 -0.105 -1.991 96 HB3 ASN 36 HB1 ASN 36 -15.573 -0.845 -0.532 97 HD21 ASN 36 HD21 ASN 36 -12.808 -0.249 -1.098 98 HD22 ASN 36 HD22 ASN 36 -12.612 1.453 -0.891 99 H GLY 37 HN GLY 37 -12.160 -1.362 -3.083 100 HA2 GLY 37 HA2 GLY 37 -11.455 -1.389 -5.375 101 HA3 GLY 37 HA1 GLY 37 -12.908 -0.507 -5.792 102 H GLU 38 HN GLU 38 -11.825 0.961 -3.075 103 HA GLU 38 HA GLU 38 -10.795 3.185 -4.560 104 HB2 GLU 38 HB2 GLU 38 -10.859 2.747 -1.572 105 HB3 GLU 38 HB1 GLU 38 -10.515 4.267 -2.381 106 HG2 GLU 38 HG2 GLU 38 -13.115 2.761 -2.481 107 HG3 GLU 38 HG1 GLU 38 -12.787 4.215 -1.541 108 H GLU 39 HN GLU 39 -8.775 3.465 -5.178 109 HA GLU 39 HA GLU 39 -6.639 1.938 -3.906 110 HB2 GLU 39 HB2 GLU 39 -6.647 3.707 -6.354 111 HB3 GLU 39 HB1 GLU 39 -5.221 2.889 -5.728 112 HG2 GLU 39 HG2 GLU 39 -6.378 0.728 -6.057 113 HG3 GLU 39 HG1 GLU 39 -7.714 1.601 -6.810 114 H PHE 40 HN PHE 40 -5.275 2.796 -2.491 115 HA PHE 40 HA PHE 40 -5.467 5.702 -2.038 116 HB2 PHE 40 HB2 PHE 40 -4.914 3.435 -0.132 117 HB3 PHE 40 HB1 PHE 40 -4.636 5.119 0.289 118 HD1 PHE 40 HD1 PHE 40 -7.265 2.692 -0.704 119 HD2 PHE 40 HD2 PHE 40 -6.391 6.494 1.004 120 HE1 PHE 40 HE1 PHE 40 -9.596 2.897 0.034 121 HE2 PHE 40 HE2 PHE 40 -8.729 6.699 1.744 122 HZ PHE 40 HZ PHE 40 -10.336 4.891 1.260 123 H GLU 41 HN GLU 41 -3.740 6.871 -2.446 124 HA GLU 41 HA GLU 41 -1.192 5.564 -2.941 125 HB2 GLU 41 HB2 GLU 41 -0.508 7.854 -3.732 126 HB3 GLU 41 HB1 GLU 41 -1.827 7.118 -4.629 127 HG2 GLU 41 HG2 GLU 41 -3.436 8.483 -3.426 128 HG3 GLU 41 HG1 GLU 41 -2.140 9.188 -2.462 129 H VAL 42 HN VAL 42 0.603 5.833 -1.732 130 HA VAL 42 HA VAL 42 0.635 7.745 0.448 131 HB VAL 42 HB VAL 42 1.502 5.877 2.006 132 HG11 VAL 42 HG11 VAL 42 -0.540 7.039 2.508 133 HG12 VAL 42 HG12 VAL 42 -0.811 5.308 2.735 134 HG13 VAL 42 HG13 VAL 42 -1.415 6.112 1.285 135 HG21 VAL 42 HG21 VAL 42 -0.079 4.258 0.029 136 HG22 VAL 42 HG22 VAL 42 0.431 3.696 1.620 137 HG23 VAL 42 HG23 VAL 42 1.634 4.102 0.397 138 HA PRO 43 HA PRO 43 4.777 7.545 -1.411 139 HB2 PRO 43 HB2 PRO 43 4.860 10.278 -0.300 140 HB3 PRO 43 HB1 PRO 43 5.163 9.727 -1.952 141 HG2 PRO 43 HG2 PRO 43 2.938 11.077 -1.385 142 HG3 PRO 43 HG1 PRO 43 2.885 9.685 -2.494 143 HD2 PRO 43 HD2 PRO 43 2.195 9.771 0.434 144 HD3 PRO 43 HD1 PRO 43 1.250 9.103 -0.918 145 H PHE 44 HN PHE 44 5.841 6.217 -0.054 146 HA PHE 44 HA PHE 44 6.221 6.821 2.736 147 HB2 PHE 44 HB2 PHE 44 7.138 4.611 0.916 148 HB3 PHE 44 HB1 PHE 44 7.822 4.786 2.526 149 HD1 PHE 44 HD1 PHE 44 4.688 4.183 0.662 150 HD2 PHE 44 HD2 PHE 44 6.656 4.058 4.428 151 HE1 PHE 44 HE1 PHE 44 2.812 2.899 1.600 152 HE2 PHE 44 HE2 PHE 44 4.781 2.780 5.374 153 HZ PHE 44 HZ PHE 44 2.856 2.198 3.956 154 H ALA 45 HN ALA 45 8.574 6.477 3.555 155 HA ALA 45 HA ALA 45 10.215 8.501 2.300 156 HB1 ALA 45 HB1 ALA 45 11.640 8.268 4.257 157 HB2 ALA 45 HB2 ALA 45 10.719 6.857 4.776 158 HB3 ALA 45 HB3 ALA 45 9.953 8.446 4.739 159 H ASP 46 HN ASP 46 12.748 7.791 2.578 160 HA ASP 46 HA ASP 46 13.043 5.925 0.420 161 HB2 ASP 46 HB2 ASP 46 14.395 8.100 0.900 162 HB3 ASP 46 HB1 ASP 46 15.347 7.069 1.964 163 H ASP 47 HN ASP 47 13.327 5.854 3.821 164 HA ASP 47 HA ASP 47 14.977 3.450 3.832 165 HB2 ASP 47 HB2 ASP 47 15.157 3.784 6.236 166 HB3 ASP 47 HB1 ASP 47 15.523 5.287 5.396 167 H ALA 48 HN ALA 48 11.974 3.662 3.101 168 HA ALA 48 HA ALA 48 11.044 1.603 4.994 169 HB1 ALA 48 HB1 ALA 48 8.775 2.376 4.626 170 HB2 ALA 48 HB2 ALA 48 9.353 3.587 3.481 171 HB3 ALA 48 HB3 ALA 48 9.789 3.706 5.186 172 H GLU 49 HN GLU 49 10.210 -0.263 4.196 173 HA GLU 49 HA GLU 49 10.297 -0.646 1.294 174 HB2 GLU 49 HB2 GLU 49 10.192 -2.608 3.586 175 HB3 GLU 49 HB1 GLU 49 10.030 -3.090 1.903 176 HG2 GLU 49 HG2 GLU 49 12.247 -2.125 1.439 177 HG3 GLU 49 HG1 GLU 49 12.409 -1.724 3.145 178 H ILE 50 HN ILE 50 8.500 -2.075 0.380 179 HA ILE 50 HA ILE 50 5.993 -0.869 1.346 180 HB ILE 50 HB ILE 50 6.654 -1.773 -1.459 181 HG12 ILE 50 HG12 ILE 50 8.018 0.153 -0.897 182 HG13 ILE 50 HG11 ILE 50 6.732 0.656 -1.987 183 HG21 ILE 50 HG21 ILE 50 4.284 -1.882 -0.972 184 HG22 ILE 50 HG22 ILE 50 4.623 -0.557 -2.086 185 HG23 ILE 50 HG23 ILE 50 4.308 -0.220 -0.383 186 HD11 ILE 50 HD11 ILE 50 6.838 1.089 0.987 187 HD12 ILE 50 HD12 ILE 50 5.476 1.515 -0.049 188 HD13 ILE 50 HD13 ILE 50 7.037 2.306 -0.274 189 HA PRO 51 HA PRO 51 4.710 -5.200 1.798 190 HB2 PRO 51 HB2 PRO 51 2.942 -4.787 3.748 191 HB3 PRO 51 HB1 PRO 51 4.679 -4.770 4.083 192 HG2 PRO 51 HG2 PRO 51 2.796 -2.470 3.717 193 HG3 PRO 51 HG1 PRO 51 4.088 -2.675 4.916 194 HD2 PRO 51 HD2 PRO 51 4.339 -1.213 2.591 195 HD3 PRO 51 HD1 PRO 51 5.699 -1.935 3.470 196 H GLY 52 HN GLY 52 2.550 -6.200 1.593 197 HA2 GLY 52 HA2 GLY 52 0.923 -4.675 -0.302 198 HA3 GLY 52 HA1 GLY 52 0.870 -6.404 -0.055 199 H THR 53 HN THR 53 0.861 -4.725 2.876 200 HA THR 53 HA THR 53 -2.028 -4.308 2.850 201 HB THR 53 HB THR 53 -2.167 -5.382 5.161 202 HG1 THR 53 HG1 THR 53 0.199 -5.648 5.289 203 HG21 THR 53 HG21 THR 53 -3.150 -6.307 3.057 204 HG22 THR 53 HG22 THR 53 -2.706 -7.538 4.242 205 HG23 THR 53 HG23 THR 53 -1.676 -7.252 2.840 206 H TRP 54 HN TRP 54 -2.710 -2.660 4.111 207 HA TRP 54 HA TRP 54 -0.985 -1.402 6.055 208 HB2 TRP 54 HB2 TRP 54 -0.094 -0.668 3.818 209 HB3 TRP 54 HB1 TRP 54 -1.655 0.069 3.498 210 HD1 TRP 54 HD1 TRP 54 -1.975 2.501 4.302 211 HE1 TRP 54 HE1 TRP 54 -0.560 4.160 5.664 212 HE3 TRP 54 HE3 TRP 54 1.674 -0.700 5.912 213 HZ2 TRP 54 HZ2 TRP 54 1.799 4.110 7.225 214 HZ3 TRP 54 HZ3 TRP 54 3.473 0.184 7.336 215 HH2 TRP 54 HH2 TRP 54 3.532 2.540 7.979 216 H LEU 55 HN LEU 55 -2.377 -0.816 7.601 217 HA LEU 55 HA LEU 55 -5.151 -0.495 7.273 218 HB2 LEU 55 HB2 LEU 55 -4.082 -0.955 9.441 219 HB3 LEU 55 HB1 LEU 55 -3.327 0.627 9.407 220 HG LEU 55 HG LEU 55 -5.606 1.651 9.461 221 HD11 LEU 55 HD11 LEU 55 -7.494 0.259 10.125 222 HD12 LEU 55 HD12 LEU 55 -6.486 -1.181 9.989 223 HD13 LEU 55 HD13 LEU 55 -6.861 -0.228 8.554 224 HD21 LEU 55 HD21 LEU 55 -4.292 1.457 11.484 225 HD22 LEU 55 HD22 LEU 55 -4.876 -0.187 11.735 226 HD23 LEU 55 HD23 LEU 55 -5.994 1.173 11.840 227 H CYS 56 HN CYS 56 -6.359 1.252 6.597 228 HA CYS 56 HA CYS 56 -4.816 3.687 6.035 229 HB2 CYS 56 HB2 CYS 56 -5.247 2.131 4.041 230 HB3 CYS 56 HB1 CYS 56 -6.929 2.631 4.174 231 HG CYS 56 HG CYS 56 -4.249 4.397 3.116 232 H ARG 57 HN ARG 57 -6.736 5.239 4.942 233 HA ARG 57 HA ARG 57 -7.868 6.350 7.248 234 HB2 ARG 57 HB2 ARG 57 -8.530 6.870 4.351 235 HB3 ARG 57 HB1 ARG 57 -9.013 7.894 5.693 236 HG2 ARG 57 HG2 ARG 57 -6.571 8.177 6.207 237 HG3 ARG 57 HG1 ARG 57 -6.245 7.369 4.672 238 HD2 ARG 57 HD2 ARG 57 -6.194 9.806 4.436 239 HD3 ARG 57 HD1 ARG 57 -7.490 9.086 3.482 240 HE ARG 57 HE ARG 57 -8.262 9.988 6.123 241 HH11 ARG 57 HH11 ARG 57 -7.972 10.827 2.736 242 HH12 ARG 57 HH12 ARG 57 -9.153 12.094 2.815 243 HH21 ARG 57 HH21 ARG 57 -9.821 11.627 6.236 244 HH22 ARG 57 HH22 ARG 57 -10.219 12.545 4.819 245 H ASN 58 HN ASN 58 -9.216 4.126 4.907 246 HA ASN 58 HA ASN 58 -11.921 4.624 5.821 247 HB2 ASN 58 HB2 ASN 58 -12.615 3.006 4.147 248 HB3 ASN 58 HB1 ASN 58 -11.508 4.173 3.440 249 HD21 ASN 58 HD21 ASN 58 -12.206 1.517 2.528 250 HD22 ASN 58 HD22 ASN 58 -10.716 0.633 2.436 251 H GLY 59 HN GLY 59 -9.390 2.867 7.020 252 HA2 GLY 59 HA2 GLY 59 -9.532 1.662 9.031 253 HA3 GLY 59 HA1 GLY 59 -11.250 1.428 8.747 254 H MET 60 HN MET 60 -10.121 0.680 5.889 255 HA MET 60 HA MET 60 -9.908 -2.163 6.542 256 HB2 MET 60 HB2 MET 60 -11.623 -1.456 4.899 257 HB3 MET 60 HB1 MET 60 -10.357 -0.800 3.872 258 HG2 MET 60 HG2 MET 60 -10.197 -3.664 4.645 259 HG3 MET 60 HG1 MET 60 -11.406 -3.182 3.459 260 HE1 MET 60 HE1 MET 60 -10.187 -4.940 1.800 261 HE2 MET 60 HE2 MET 60 -8.949 -5.270 3.012 262 HE3 MET 60 HE3 MET 60 -8.481 -4.834 1.368 263 H GLU 61 HN GLU 61 -8.098 -3.339 6.094 264 HA GLU 61 HA GLU 61 -5.682 -1.827 5.700 265 HB2 GLU 61 HB2 GLU 61 -6.076 -4.810 5.994 266 HB3 GLU 61 HB1 GLU 61 -4.537 -3.959 6.085 267 HG2 GLU 61 HG2 GLU 61 -5.290 -2.761 8.058 268 HG3 GLU 61 HG1 GLU 61 -6.860 -3.552 7.957 269 H GLY 62 HN GLY 62 -5.432 -1.089 3.706 270 HA2 GLY 62 HA2 GLY 62 -6.462 -2.372 1.400 271 HA3 GLY 62 HA1 GLY 62 -5.394 -0.981 1.418 272 H THR 63 HN THR 63 -5.445 -3.309 -0.328 273 HA THR 63 HA THR 63 -2.870 -4.582 0.293 274 HB THR 63 HB THR 63 -4.969 -5.315 -1.734 275 HG1 THR 63 HG1 THR 63 -4.729 -5.824 0.917 276 HG21 THR 63 HG21 THR 63 -2.487 -6.798 -0.875 277 HG22 THR 63 HG22 THR 63 -2.734 -6.004 -2.433 278 HG23 THR 63 HG23 THR 63 -3.716 -7.403 -1.989 279 H LEU 64 HN LEU 64 -1.170 -3.588 -0.583 280 HA LEU 64 HA LEU 64 -1.293 -1.944 -2.890 281 HB2 LEU 64 HB2 LEU 64 0.421 -1.451 -1.368 282 HB3 LEU 64 HB1 LEU 64 0.929 -3.115 -1.253 283 HG LEU 64 HG LEU 64 2.474 -1.456 -2.385 284 HD11 LEU 64 HD11 LEU 64 3.277 -3.101 -3.966 285 HD12 LEU 64 HD12 LEU 64 1.747 -3.971 -3.849 286 HD13 LEU 64 HD13 LEU 64 2.805 -3.853 -2.443 287 HD21 LEU 64 HD21 LEU 64 0.508 -0.596 -3.791 288 HD22 LEU 64 HD22 LEU 64 0.897 -1.961 -4.836 289 HD23 LEU 64 HD23 LEU 64 2.109 -0.725 -4.516 290 H ILE 65 HN ILE 65 -0.762 -2.382 -4.960 291 HA ILE 65 HA ILE 65 -1.506 -5.028 -5.757 292 HB ILE 65 HB ILE 65 -0.744 -2.682 -7.478 293 HG12 ILE 65 HG12 ILE 65 -3.324 -2.746 -7.895 294 HG13 ILE 65 HG11 ILE 65 -3.379 -3.614 -6.368 295 HG21 ILE 65 HG21 ILE 65 -1.850 -3.892 -9.287 296 HG22 ILE 65 HG22 ILE 65 -2.138 -5.246 -8.197 297 HG23 ILE 65 HG23 ILE 65 -0.489 -4.802 -8.632 298 HD11 ILE 65 HD11 ILE 65 -2.476 -1.723 -5.198 299 HD12 ILE 65 HD12 ILE 65 -3.840 -1.187 -6.174 300 HD13 ILE 65 HD13 ILE 65 -2.191 -0.867 -6.712 301 H GLU 66 HN GLU 66 -0.090 -6.501 -5.638 302 HA GLU 66 HA GLU 66 1.744 -7.787 -5.818 303 HB2 GLU 66 HB2 GLU 66 2.198 -5.970 -8.174 304 HB3 GLU 66 HB1 GLU 66 3.203 -7.367 -7.822 305 HG2 GLU 66 HG2 GLU 66 1.230 -8.811 -7.963 306 HG3 GLU 66 HG1 GLU 66 0.249 -7.404 -8.368 307 H GLY 67 HN GLY 67 2.815 -7.456 -3.966 308 HA2 GLY 67 HA2 GLY 67 5.304 -6.000 -4.145 309 HA3 GLY 67 HA1 GLY 67 4.169 -5.349 -2.970 310 H ASP 68 HN ASP 68 5.396 -5.847 -1.172 311 HA ASP 68 HA ASP 68 6.477 -8.482 -0.804 312 HB2 ASP 68 HB2 ASP 68 7.636 -6.520 0.097 313 HB3 ASP 68 HB1 ASP 68 6.255 -6.163 1.128 314 H LEU 69 HN LEU 69 5.445 -10.173 -0.037 315 HA LEU 69 HA LEU 69 2.726 -9.967 0.825 316 HB2 LEU 69 HB2 LEU 69 4.584 -12.344 0.739 317 HB3 LEU 69 HB1 LEU 69 2.862 -12.427 1.049 318 HG LEU 69 HG LEU 69 4.149 -11.493 -1.516 319 HD11 LEU 69 HD11 LEU 69 2.643 -14.023 -0.862 320 HD12 LEU 69 HD12 LEU 69 4.373 -13.889 -1.172 321 HD13 LEU 69 HD13 LEU 69 3.221 -13.548 -2.459 322 HD21 LEU 69 HD21 LEU 69 1.239 -11.880 -0.814 323 HD22 LEU 69 HD22 LEU 69 1.875 -11.467 -2.407 324 HD23 LEU 69 HD23 LEU 69 2.049 -10.333 -1.068 325 HA PRO 70 HA PRO 70 3.347 -9.304 5.155 326 HB2 PRO 70 HB2 PRO 70 0.902 -10.989 5.379 327 HB3 PRO 70 HB1 PRO 70 1.235 -9.393 6.057 328 HG2 PRO 70 HG2 PRO 70 -0.363 -9.674 3.945 329 HG3 PRO 70 HG1 PRO 70 0.753 -8.301 4.075 330 HD2 PRO 70 HD2 PRO 70 0.951 -10.751 2.392 331 HD3 PRO 70 HD1 PRO 70 1.479 -9.093 2.046 332 H GLU 71 HN GLU 71 4.823 -10.376 6.262 333 HA GLU 71 HA GLU 71 4.774 -13.293 6.371 334 HB2 GLU 71 HB2 GLU 71 6.834 -11.221 7.105 335 HB3 GLU 71 HB1 GLU 71 6.988 -12.893 7.619 336 HG2 GLU 71 HG2 GLU 71 6.709 -12.058 4.746 337 HG3 GLU 71 HG1 GLU 71 8.258 -12.291 5.556 Start of MODEL 7 1 H2 PRO 26 HT1 PRO 26 11.275 11.713 -2.086 2 H3 PRO 26 HT2 PRO 26 11.196 11.669 -0.456 3 HA PRO 26 HA PRO 26 10.019 9.926 -0.424 4 HB2 PRO 26 HB2 PRO 26 8.053 10.030 -2.399 5 HB3 PRO 26 HB1 PRO 26 7.853 10.501 -0.704 6 HG2 PRO 26 HG2 PRO 26 8.425 12.190 -3.087 7 HG3 PRO 26 HG1 PRO 26 7.438 12.555 -1.660 8 HD2 PRO 26 HD2 PRO 26 9.879 13.612 -1.963 9 HD3 PRO 26 HD1 PRO 26 9.293 13.110 -0.369 10 H ARG 27 HN ARG 27 9.924 7.899 -1.528 11 HA ARG 27 HA ARG 27 11.710 7.879 -3.847 12 HB2 ARG 27 HB2 ARG 27 12.385 6.539 -1.922 13 HB3 ARG 27 HB1 ARG 27 10.865 5.661 -1.979 14 HG2 ARG 27 HG2 ARG 27 12.624 4.323 -2.930 15 HG3 ARG 27 HG1 ARG 27 11.480 4.781 -4.191 16 HD2 ARG 27 HD2 ARG 27 12.986 6.551 -4.926 17 HD3 ARG 27 HD1 ARG 27 14.122 6.128 -3.648 18 HE ARG 27 HE ARG 27 13.396 4.283 -5.829 19 HH11 ARG 27 HH11 ARG 27 15.782 5.781 -3.747 20 HH12 ARG 27 HH12 ARG 27 17.100 4.850 -4.381 21 HH21 ARG 27 HH21 ARG 27 15.148 3.074 -6.672 22 HH22 ARG 27 HH22 ARG 27 16.746 3.324 -6.034 23 H GLN 28 HN GLN 28 9.016 5.869 -2.730 24 HA GLN 28 HA GLN 28 7.873 5.935 -5.419 25 HB2 GLN 28 HB2 GLN 28 7.381 3.459 -5.122 26 HB3 GLN 28 HB1 GLN 28 9.055 3.886 -5.440 27 HG2 GLN 28 HG2 GLN 28 9.543 3.693 -3.035 28 HG3 GLN 28 HG1 GLN 28 7.873 3.199 -2.756 29 HE21 GLN 28 HE21 GLN 28 7.205 1.155 -3.409 30 HE22 GLN 28 HE22 GLN 28 8.328 -0.092 -3.826 31 H ILE 29 HN ILE 29 5.724 6.085 -5.474 32 HA ILE 29 HA ILE 29 4.333 6.388 -2.947 33 HB ILE 29 HB ILE 29 3.295 6.777 -5.757 34 HG12 ILE 29 HG12 ILE 29 4.326 8.792 -3.747 35 HG13 ILE 29 HG11 ILE 29 5.136 8.314 -5.233 36 HG21 ILE 29 HG21 ILE 29 1.517 6.354 -4.164 37 HG22 ILE 29 HG22 ILE 29 1.501 8.049 -4.653 38 HG23 ILE 29 HG23 ILE 29 2.161 7.591 -3.086 39 HD11 ILE 29 HD11 ILE 29 2.476 9.700 -5.069 40 HD12 ILE 29 HD12 ILE 29 3.340 9.273 -6.544 41 HD13 ILE 29 HD13 ILE 29 4.017 10.470 -5.443 42 H ALA 30 HN ALA 30 3.385 4.696 -2.020 43 HA ALA 30 HA ALA 30 2.785 2.344 -3.631 44 HB1 ALA 30 HB1 ALA 30 3.941 2.002 -1.522 45 HB2 ALA 30 HB2 ALA 30 2.347 1.249 -1.471 46 HB3 ALA 30 HB3 ALA 30 2.624 2.783 -0.649 47 H ARG 31 HN ARG 31 0.698 1.327 -3.576 48 HA ARG 31 HA ARG 31 -1.508 3.136 -2.900 49 HB2 ARG 31 HB2 ARG 31 -1.216 1.634 -5.499 50 HB3 ARG 31 HB1 ARG 31 -2.677 2.450 -4.975 51 HG2 ARG 31 HG2 ARG 31 -1.352 4.579 -4.928 52 HG3 ARG 31 HG1 ARG 31 -0.043 3.688 -5.712 53 HD2 ARG 31 HD2 ARG 31 -1.767 3.002 -7.445 54 HD3 ARG 31 HD1 ARG 31 -2.810 4.234 -6.741 55 HE ARG 31 HE ARG 31 -0.659 5.681 -7.253 56 HH11 ARG 31 HH11 ARG 31 -2.365 3.325 -9.197 57 HH12 ARG 31 HH12 ARG 31 -1.812 3.983 -10.708 58 HH21 ARG 31 HH21 ARG 31 0.061 6.560 -9.234 59 HH22 ARG 31 HH22 ARG 31 -0.435 5.835 -10.727 60 H TYR 32 HN TYR 32 -2.609 2.088 -1.417 61 HA TYR 32 HA TYR 32 -2.779 -0.822 -1.595 62 HB2 TYR 32 HB2 TYR 32 -3.436 1.092 0.657 63 HB3 TYR 32 HB1 TYR 32 -3.626 -0.659 0.749 64 HD1 TYR 32 HD2 TYR 32 -1.608 -2.133 0.689 65 HD2 TYR 32 HD1 TYR 32 -1.298 2.110 0.834 66 HE1 TYR 32 HE2 TYR 32 0.730 -2.324 1.429 67 HE2 TYR 32 HE1 TYR 32 1.032 1.923 1.585 68 HH TYR 32 HH TYR 32 2.512 0.387 2.606 69 H ARG 33 HN ARG 33 -4.536 -1.779 -2.325 70 HA ARG 33 HA ARG 33 -6.821 -0.071 -2.960 71 HB2 ARG 33 HB2 ARG 33 -5.532 -1.653 -4.616 72 HB3 ARG 33 HB1 ARG 33 -6.544 -2.903 -3.902 73 HG2 ARG 33 HG2 ARG 33 -8.533 -1.823 -4.629 74 HG3 ARG 33 HG1 ARG 33 -7.642 -0.381 -5.118 75 HD2 ARG 33 HD2 ARG 33 -6.414 -1.840 -6.769 76 HD3 ARG 33 HD1 ARG 33 -7.571 -3.115 -6.384 77 HE ARG 33 HE ARG 33 -8.992 -0.790 -7.064 78 HH11 ARG 33 HH11 ARG 33 -6.926 -3.178 -8.578 79 HH12 ARG 33 HH12 ARG 33 -7.652 -3.000 -10.144 80 HH21 ARG 33 HH21 ARG 33 -9.933 -0.534 -9.126 81 HH22 ARG 33 HH22 ARG 33 -9.359 -1.485 -10.457 82 H THR 34 HN THR 34 -8.708 -0.258 -1.976 83 HA THR 34 HA THR 34 -8.889 -2.190 0.219 84 HB THR 34 HB THR 34 -10.648 -0.678 1.076 85 HG1 THR 34 HG1 THR 34 -9.703 1.229 -0.790 86 HG21 THR 34 HG21 THR 34 -9.074 1.052 1.819 87 HG22 THR 34 HG22 THR 34 -7.943 0.556 0.560 88 HG23 THR 34 HG23 THR 34 -8.343 -0.551 1.872 89 H ASP 35 HN ASP 35 -11.468 -2.227 0.802 90 HA ASP 35 HA ASP 35 -12.595 -4.147 -0.874 91 HB2 ASP 35 HB2 ASP 35 -14.658 -3.753 0.474 92 HB3 ASP 35 HB1 ASP 35 -13.214 -3.949 1.465 93 H ASN 36 HN ASN 36 -12.916 -0.660 -0.823 94 HA ASN 36 HA ASN 36 -15.160 -0.496 -2.563 95 HB2 ASN 36 HB2 ASN 36 -13.003 1.561 -2.044 96 HB3 ASN 36 HB1 ASN 36 -14.568 1.873 -2.790 97 HD21 ASN 36 HD21 ASN 36 -12.852 1.307 0.145 98 HD22 ASN 36 HD22 ASN 36 -14.165 1.629 1.224 99 H GLY 37 HN GLY 37 -11.862 -1.209 -3.053 100 HA2 GLY 37 HA2 GLY 37 -10.829 -1.780 -5.064 101 HA3 GLY 37 HA1 GLY 37 -12.181 -1.073 -5.935 102 H GLU 38 HN GLU 38 -11.270 1.010 -3.569 103 HA GLU 38 HA GLU 38 -10.177 2.893 -5.418 104 HB2 GLU 38 HB2 GLU 38 -10.472 3.024 -2.411 105 HB3 GLU 38 HB1 GLU 38 -10.018 4.376 -3.438 106 HG2 GLU 38 HG2 GLU 38 -12.633 2.892 -3.491 107 HG3 GLU 38 HG1 GLU 38 -12.350 4.503 -2.830 108 H GLU 39 HN GLU 39 -8.130 3.707 -5.529 109 HA GLU 39 HA GLU 39 -6.014 2.118 -4.297 110 HB2 GLU 39 HB2 GLU 39 -5.877 4.355 -6.334 111 HB3 GLU 39 HB1 GLU 39 -4.504 3.422 -5.765 112 HG2 GLU 39 HG2 GLU 39 -5.436 1.410 -6.747 113 HG3 GLU 39 HG1 GLU 39 -6.856 2.314 -7.276 114 H PHE 40 HN PHE 40 -5.225 2.769 -2.388 115 HA PHE 40 HA PHE 40 -5.417 5.627 -1.704 116 HB2 PHE 40 HB2 PHE 40 -4.925 3.169 -0.033 117 HB3 PHE 40 HB1 PHE 40 -4.651 4.787 0.591 118 HD1 PHE 40 HD1 PHE 40 -7.262 2.555 -0.809 119 HD2 PHE 40 HD2 PHE 40 -6.407 6.068 1.435 120 HE1 PHE 40 HE1 PHE 40 -9.626 2.709 -0.147 121 HE2 PHE 40 HE2 PHE 40 -8.773 6.222 2.096 122 HZ PHE 40 HZ PHE 40 -10.382 4.531 1.312 123 H GLU 41 HN GLU 41 -3.685 6.873 -1.921 124 HA GLU 41 HA GLU 41 -1.157 5.540 -2.495 125 HB2 GLU 41 HB2 GLU 41 -0.418 7.746 -3.353 126 HB3 GLU 41 HB1 GLU 41 -1.818 7.097 -4.189 127 HG2 GLU 41 HG2 GLU 41 -3.278 8.616 -3.071 128 HG3 GLU 41 HG1 GLU 41 -1.982 9.150 -2.000 129 H VAL 42 HN VAL 42 0.677 5.854 -1.418 130 HA VAL 42 HA VAL 42 0.818 7.722 0.798 131 HB VAL 42 HB VAL 42 1.836 5.824 2.227 132 HG11 VAL 42 HG11 VAL 42 -0.343 5.260 3.180 133 HG12 VAL 42 HG12 VAL 42 -1.145 5.870 1.735 134 HG13 VAL 42 HG13 VAL 42 -0.259 6.977 2.787 135 HG21 VAL 42 HG21 VAL 42 0.187 4.237 0.280 136 HG22 VAL 42 HG22 VAL 42 0.755 3.634 1.838 137 HG23 VAL 42 HG23 VAL 42 1.916 4.091 0.592 138 HA PRO 43 HA PRO 43 4.746 7.651 -1.479 139 HB2 PRO 43 HB2 PRO 43 4.970 10.376 -0.421 140 HB3 PRO 43 HB1 PRO 43 4.943 9.825 -2.095 141 HG2 PRO 43 HG2 PRO 43 2.878 11.176 -1.050 142 HG3 PRO 43 HG1 PRO 43 2.620 9.842 -2.201 143 HD2 PRO 43 HD2 PRO 43 2.455 9.787 0.799 144 HD3 PRO 43 HD1 PRO 43 1.295 9.165 -0.400 145 H PHE 44 HN PHE 44 6.000 6.344 -0.253 146 HA PHE 44 HA PHE 44 7.001 7.329 2.319 147 HB2 PHE 44 HB2 PHE 44 7.261 4.639 0.970 148 HB3 PHE 44 HB1 PHE 44 8.036 5.049 2.493 149 HD1 PHE 44 HD2 PHE 44 6.499 5.807 4.415 150 HD2 PHE 44 HD1 PHE 44 5.121 3.754 0.951 151 HE1 PHE 44 HE2 PHE 44 4.477 5.111 5.635 152 HE2 PHE 44 HE1 PHE 44 3.101 3.053 2.164 153 HZ PHE 44 HZ PHE 44 2.776 3.729 4.510 154 H ALA 45 HN ALA 45 9.399 6.779 2.707 155 HA ALA 45 HA ALA 45 10.920 7.994 0.542 156 HB1 ALA 45 HB1 ALA 45 12.692 8.268 2.178 157 HB2 ALA 45 HB2 ALA 45 11.785 7.314 3.350 158 HB3 ALA 45 HB3 ALA 45 11.169 8.879 2.821 159 H ASP 46 HN ASP 46 13.243 7.096 0.348 160 HA ASP 46 HA ASP 46 13.013 4.513 -0.774 161 HB2 ASP 46 HB2 ASP 46 15.373 4.745 -1.342 162 HB3 ASP 46 HB1 ASP 46 14.510 6.237 -1.688 163 H ASP 47 HN ASP 47 13.466 5.382 2.397 164 HA ASP 47 HA ASP 47 15.186 3.132 3.063 165 HB2 ASP 47 HB2 ASP 47 15.261 3.999 5.274 166 HB3 ASP 47 HB1 ASP 47 15.333 5.401 4.215 167 H ALA 48 HN ALA 48 11.945 3.624 2.493 168 HA ALA 48 HA ALA 48 10.940 2.010 4.679 169 HB1 ALA 48 HB1 ALA 48 9.458 3.262 2.376 170 HB2 ALA 48 HB2 ALA 48 9.687 3.981 3.968 171 HB3 ALA 48 HB3 ALA 48 8.732 2.510 3.795 172 H GLU 49 HN GLU 49 10.243 -0.021 4.585 173 HA GLU 49 HA GLU 49 10.544 -1.494 2.086 174 HB2 GLU 49 HB2 GLU 49 10.218 -3.501 3.571 175 HB3 GLU 49 HB1 GLU 49 11.635 -2.533 3.931 176 HG2 GLU 49 HG2 GLU 49 10.348 -1.453 5.767 177 HG3 GLU 49 HG1 GLU 49 9.045 -2.596 5.453 178 H ILE 50 HN ILE 50 8.834 -1.825 0.845 179 HA ILE 50 HA ILE 50 6.271 -0.872 1.839 180 HB ILE 50 HB ILE 50 7.056 -1.582 -0.989 181 HG12 ILE 50 HG12 ILE 50 8.449 0.238 -0.158 182 HG13 ILE 50 HG11 ILE 50 7.283 0.859 -1.320 183 HG21 ILE 50 HG21 ILE 50 5.100 -0.234 -1.620 184 HG22 ILE 50 HG22 ILE 50 4.709 -0.022 0.088 185 HG23 ILE 50 HG23 ILE 50 4.651 -1.629 -0.637 186 HD11 ILE 50 HD11 ILE 50 7.507 2.370 0.544 187 HD12 ILE 50 HD12 ILE 50 7.109 1.076 1.673 188 HD13 ILE 50 HD13 ILE 50 5.893 1.660 0.537 189 HA PRO 51 HA PRO 51 4.829 -5.158 1.880 190 HB2 PRO 51 HB2 PRO 51 2.915 -4.813 3.713 191 HB3 PRO 51 HB1 PRO 51 4.622 -4.863 4.178 192 HG2 PRO 51 HG2 PRO 51 2.806 -2.515 3.867 193 HG3 PRO 51 HG1 PRO 51 4.066 -2.804 5.080 194 HD2 PRO 51 HD2 PRO 51 4.343 -1.234 2.796 195 HD3 PRO 51 HD1 PRO 51 5.682 -1.904 3.749 196 H GLY 52 HN GLY 52 2.612 -6.078 1.534 197 HA2 GLY 52 HA2 GLY 52 1.091 -4.402 -0.341 198 HA3 GLY 52 HA1 GLY 52 1.002 -6.145 -0.218 199 H THR 53 HN THR 53 0.975 -4.562 2.779 200 HA THR 53 HA THR 53 -1.920 -4.189 2.730 201 HB THR 53 HB THR 53 -2.016 -5.235 5.061 202 HG1 THR 53 HG1 THR 53 -0.348 -7.032 5.123 203 HG21 THR 53 HG21 THR 53 -2.973 -6.211 2.966 204 HG22 THR 53 HG22 THR 53 -2.500 -7.411 4.172 205 HG23 THR 53 HG23 THR 53 -1.474 -7.119 2.769 206 H TRP 54 HN TRP 54 -2.653 -2.563 4.001 207 HA TRP 54 HA TRP 54 -1.033 -1.288 5.999 208 HB2 TRP 54 HB2 TRP 54 -0.059 -0.527 3.779 209 HB3 TRP 54 HB1 TRP 54 -1.595 0.265 3.466 210 HD1 TRP 54 HD1 TRP 54 -1.844 2.677 4.342 211 HE1 TRP 54 HE1 TRP 54 -0.426 4.221 5.833 212 HE3 TRP 54 HE3 TRP 54 1.613 -0.722 5.959 213 HZ2 TRP 54 HZ2 TRP 54 1.856 4.019 7.488 214 HZ3 TRP 54 HZ3 TRP 54 3.380 0.032 7.496 215 HH2 TRP 54 HH2 TRP 54 3.497 2.355 8.245 216 H LEU 55 HN LEU 55 -2.404 -0.418 7.434 217 HA LEU 55 HA LEU 55 -5.189 -0.453 7.090 218 HB2 LEU 55 HB2 LEU 55 -4.120 -0.505 9.292 219 HB3 LEU 55 HB1 LEU 55 -3.522 1.125 9.052 220 HG LEU 55 HG LEU 55 -5.901 1.912 8.950 221 HD11 LEU 55 HD11 LEU 55 -7.632 0.433 9.845 222 HD12 LEU 55 HD12 LEU 55 -6.477 -0.898 9.872 223 HD13 LEU 55 HD13 LEU 55 -6.962 -0.182 8.337 224 HD21 LEU 55 HD21 LEU 55 -5.043 0.517 11.483 225 HD22 LEU 55 HD22 LEU 55 -6.251 1.795 11.365 226 HD23 LEU 55 HD23 LEU 55 -4.566 2.137 10.973 227 H CYS 56 HN CYS 56 -6.587 0.990 6.210 228 HA CYS 56 HA CYS 56 -5.434 3.553 5.346 229 HB2 CYS 56 HB2 CYS 56 -7.739 2.026 4.110 230 HB3 CYS 56 HB1 CYS 56 -7.034 3.520 3.501 231 HG CYS 56 HG CYS 56 -4.720 1.176 3.832 232 H ARG 57 HN ARG 57 -7.235 5.261 5.057 233 HA ARG 57 HA ARG 57 -8.228 5.754 7.652 234 HB2 ARG 57 HB2 ARG 57 -9.041 7.825 6.789 235 HB3 ARG 57 HB1 ARG 57 -7.500 7.492 6.017 236 HG2 ARG 57 HG2 ARG 57 -8.705 6.641 4.058 237 HG3 ARG 57 HG1 ARG 57 -10.221 7.098 4.830 238 HD2 ARG 57 HD2 ARG 57 -7.978 8.927 3.988 239 HD3 ARG 57 HD1 ARG 57 -9.589 8.821 3.282 240 HE ARG 57 HE ARG 57 -9.690 9.458 6.062 241 HH11 ARG 57 HH11 ARG 57 -9.195 10.802 2.873 242 HH12 ARG 57 HH12 ARG 57 -9.576 12.425 3.358 243 HH21 ARG 57 HH21 ARG 57 -10.205 11.611 6.701 244 HH22 ARG 57 HH22 ARG 57 -10.172 12.877 5.516 245 H ASN 58 HN ASN 58 -9.526 3.870 5.199 246 HA ASN 58 HA ASN 58 -12.292 4.356 5.931 247 HB2 ASN 58 HB2 ASN 58 -12.862 2.677 4.252 248 HB3 ASN 58 HB1 ASN 58 -11.767 3.875 3.575 249 HD21 ASN 58 HD21 ASN 58 -12.334 1.137 2.728 250 HD22 ASN 58 HD22 ASN 58 -10.797 0.340 2.697 251 H GLY 59 HN GLY 59 -9.703 2.475 7.048 252 HA2 GLY 59 HA2 GLY 59 -9.847 1.297 9.091 253 HA3 GLY 59 HA1 GLY 59 -11.575 1.098 8.836 254 H MET 60 HN MET 60 -9.701 0.470 6.108 255 HA MET 60 HA MET 60 -9.748 -2.424 6.649 256 HB2 MET 60 HB2 MET 60 -11.484 -1.819 5.029 257 HB3 MET 60 HB1 MET 60 -10.289 -0.993 4.041 258 HG2 MET 60 HG2 MET 60 -10.756 -3.101 3.045 259 HG3 MET 60 HG1 MET 60 -9.131 -3.162 3.723 260 HE1 MET 60 HE1 MET 60 -12.835 -5.248 5.514 261 HE2 MET 60 HE2 MET 60 -12.827 -4.324 4.011 262 HE3 MET 60 HE3 MET 60 -12.647 -3.495 5.558 263 H GLU 61 HN GLU 61 -7.789 -3.382 6.504 264 HA GLU 61 HA GLU 61 -5.472 -2.021 5.650 265 HB2 GLU 61 HB2 GLU 61 -5.988 -4.984 5.950 266 HB3 GLU 61 HB1 GLU 61 -4.410 -4.295 5.604 267 HG2 GLU 61 HG2 GLU 61 -4.660 -2.972 7.738 268 HG3 GLU 61 HG1 GLU 61 -6.058 -3.988 8.091 269 H GLY 62 HN GLY 62 -5.366 -1.240 3.652 270 HA2 GLY 62 HA2 GLY 62 -6.525 -2.592 1.402 271 HA3 GLY 62 HA1 GLY 62 -5.562 -1.122 1.356 272 H THR 63 HN THR 63 -5.375 -3.283 -0.468 273 HA THR 63 HA THR 63 -2.748 -4.447 0.208 274 HB THR 63 HB THR 63 -4.795 -5.328 -1.818 275 HG1 THR 63 HG1 THR 63 -4.447 -5.851 0.822 276 HG21 THR 63 HG21 THR 63 -3.367 -7.308 -2.108 277 HG22 THR 63 HG22 THR 63 -2.172 -6.590 -1.028 278 HG23 THR 63 HG23 THR 63 -2.532 -5.825 -2.576 279 H LEU 64 HN LEU 64 -1.103 -3.353 -0.659 280 HA LEU 64 HA LEU 64 -1.294 -1.792 -3.020 281 HB2 LEU 64 HB2 LEU 64 0.414 -1.273 -1.419 282 HB3 LEU 64 HB1 LEU 64 1.054 -2.897 -1.492 283 HG LEU 64 HG LEU 64 2.316 -0.928 -2.606 284 HD11 LEU 64 HD11 LEU 64 3.253 -2.446 -4.276 285 HD12 LEU 64 HD12 LEU 64 1.909 -3.555 -3.996 286 HD13 LEU 64 HD13 LEU 64 3.054 -3.209 -2.698 287 HD21 LEU 64 HD21 LEU 64 0.715 -1.693 -4.975 288 HD22 LEU 64 HD22 LEU 64 1.759 -0.293 -4.733 289 HD23 LEU 64 HD23 LEU 64 0.190 -0.383 -3.929 290 H ILE 65 HN ILE 65 -0.848 -2.318 -5.073 291 HA ILE 65 HA ILE 65 -1.817 -4.837 -5.795 292 HB ILE 65 HB ILE 65 -0.514 -2.742 -7.507 293 HG12 ILE 65 HG12 ILE 65 -2.945 -2.362 -8.227 294 HG13 ILE 65 HG11 ILE 65 -3.403 -3.336 -6.842 295 HG21 ILE 65 HG21 ILE 65 -1.580 -3.865 -9.413 296 HG22 ILE 65 HG22 ILE 65 -2.124 -5.146 -8.329 297 HG23 ILE 65 HG23 ILE 65 -0.399 -4.896 -8.602 298 HD11 ILE 65 HD11 ILE 65 -2.568 -1.701 -5.322 299 HD12 ILE 65 HD12 ILE 65 -3.561 -0.863 -6.512 300 HD13 ILE 65 HD13 ILE 65 -1.802 -0.795 -6.628 301 H GLU 66 HN GLU 66 -0.749 -6.527 -5.417 302 HA GLU 66 HA GLU 66 0.851 -8.089 -5.134 303 HB2 GLU 66 HB2 GLU 66 1.728 -6.937 -7.778 304 HB3 GLU 66 HB1 GLU 66 2.396 -8.404 -7.077 305 HG2 GLU 66 HG2 GLU 66 0.042 -9.303 -7.010 306 HG3 GLU 66 HG1 GLU 66 -0.419 -7.915 -7.997 307 H GLY 67 HN GLY 67 1.471 -6.588 -3.318 308 HA2 GLY 67 HA2 GLY 67 4.172 -5.499 -3.684 309 HA3 GLY 67 HA1 GLY 67 3.103 -5.171 -2.326 310 H ASP 68 HN ASP 68 5.153 -5.654 -1.149 311 HA ASP 68 HA ASP 68 6.077 -8.366 -1.085 312 HB2 ASP 68 HB2 ASP 68 7.586 -6.490 -0.606 313 HB3 ASP 68 HB1 ASP 68 6.617 -6.065 0.800 314 H LEU 69 HN LEU 69 5.561 -9.958 0.308 315 HA LEU 69 HA LEU 69 3.249 -9.418 2.028 316 HB2 LEU 69 HB2 LEU 69 2.797 -11.880 1.785 317 HB3 LEU 69 HB1 LEU 69 2.610 -10.923 0.332 318 HG LEU 69 HG LEU 69 5.102 -11.723 -0.107 319 HD11 LEU 69 HD11 LEU 69 5.374 -12.912 1.989 320 HD12 LEU 69 HD12 LEU 69 5.433 -14.032 0.629 321 HD13 LEU 69 HD13 LEU 69 3.980 -13.924 1.618 322 HD21 LEU 69 HD21 LEU 69 2.676 -13.452 -0.557 323 HD22 LEU 69 HD22 LEU 69 4.199 -13.556 -1.439 324 HD23 LEU 69 HD23 LEU 69 3.199 -12.111 -1.576 325 HA PRO 70 HA PRO 70 5.728 -10.553 5.598 326 HB2 PRO 70 HB2 PRO 70 3.066 -10.948 6.824 327 HB3 PRO 70 HB1 PRO 70 4.396 -9.905 7.340 328 HG2 PRO 70 HG2 PRO 70 2.199 -8.860 6.264 329 HG3 PRO 70 HG1 PRO 70 3.802 -8.206 5.879 330 HD2 PRO 70 HD2 PRO 70 2.088 -10.066 4.260 331 HD3 PRO 70 HD1 PRO 70 3.001 -8.634 3.731 332 H GLU 71 HN GLU 71 6.173 -12.486 6.715 333 HA GLU 71 HA GLU 71 5.153 -14.846 5.370 334 HB2 GLU 71 HB2 GLU 71 6.937 -16.032 6.676 335 HB3 GLU 71 HB1 GLU 71 7.522 -14.795 5.578 336 HG2 GLU 71 HG2 GLU 71 7.792 -13.253 7.442 337 HG3 GLU 71 HG1 GLU 71 7.190 -14.482 8.553 Start of MODEL 8 1 H2 PRO 26 HT1 PRO 26 12.311 3.038 -4.137 2 H3 PRO 26 HT2 PRO 26 11.412 1.982 -3.272 3 HA PRO 26 HA PRO 26 11.736 2.960 -1.386 4 HB2 PRO 26 HB2 PRO 26 14.235 4.318 -1.575 5 HB3 PRO 26 HB1 PRO 26 13.834 2.913 -0.579 6 HG2 PRO 26 HG2 PRO 26 15.104 3.028 -3.254 7 HG3 PRO 26 HG1 PRO 26 15.288 1.821 -1.969 8 HD2 PRO 26 HD2 PRO 26 13.899 1.249 -4.169 9 HD3 PRO 26 HD1 PRO 26 13.335 0.693 -2.583 10 H ARG 27 HN ARG 27 11.558 5.211 -0.641 11 HA ARG 27 HA ARG 27 10.663 7.293 -0.917 12 HB2 ARG 27 HB2 ARG 27 12.656 7.352 -3.186 13 HB3 ARG 27 HB1 ARG 27 11.747 8.754 -2.647 14 HG2 ARG 27 HG2 ARG 27 12.773 8.426 -0.382 15 HG3 ARG 27 HG1 ARG 27 13.815 7.207 -1.119 16 HD2 ARG 27 HD2 ARG 27 14.920 9.391 -0.996 17 HD3 ARG 27 HD1 ARG 27 14.698 8.869 -2.666 18 HE ARG 27 HE ARG 27 12.496 10.420 -1.989 19 HH11 ARG 27 HH11 ARG 27 15.958 10.887 -2.251 20 HH12 ARG 27 HH12 ARG 27 15.820 12.544 -2.744 21 HH21 ARG 27 HH21 ARG 27 12.312 12.607 -2.599 22 HH22 ARG 27 HH22 ARG 27 13.743 13.529 -2.940 23 H GLN 28 HN GLN 28 9.216 5.203 -2.034 24 HA GLN 28 HA GLN 28 8.296 6.221 -4.633 25 HB2 GLN 28 HB2 GLN 28 7.611 3.903 -5.117 26 HB3 GLN 28 HB1 GLN 28 9.336 4.018 -4.787 27 HG2 GLN 28 HG2 GLN 28 8.810 3.331 -2.424 28 HG3 GLN 28 HG1 GLN 28 7.177 2.970 -2.980 29 HE21 GLN 28 HE21 GLN 28 6.844 1.223 -4.360 30 HE22 GLN 28 HE22 GLN 28 8.035 -0.014 -4.571 31 H ILE 29 HN ILE 29 6.038 5.944 -5.107 32 HA ILE 29 HA ILE 29 4.386 6.329 -2.729 33 HB ILE 29 HB ILE 29 3.629 6.735 -5.625 34 HG12 ILE 29 HG12 ILE 29 4.513 8.772 -3.568 35 HG13 ILE 29 HG11 ILE 29 5.482 8.220 -4.928 36 HG21 ILE 29 HG21 ILE 29 1.716 6.392 -4.192 37 HG22 ILE 29 HG22 ILE 29 1.805 8.091 -4.655 38 HG23 ILE 29 HG23 ILE 29 2.322 7.587 -3.046 39 HD11 ILE 29 HD11 ILE 29 2.871 9.695 -5.119 40 HD12 ILE 29 HD12 ILE 29 3.865 9.161 -6.476 41 HD13 ILE 29 HD13 ILE 29 4.476 10.384 -5.365 42 H ALA 30 HN ALA 30 3.330 4.625 -1.952 43 HA ALA 30 HA ALA 30 2.989 2.287 -3.656 44 HB1 ALA 30 HB1 ALA 30 2.336 2.623 -0.732 45 HB2 ALA 30 HB2 ALA 30 3.867 2.029 -1.369 46 HB3 ALA 30 HB3 ALA 30 2.387 1.109 -1.634 47 H ARG 31 HN ARG 31 0.996 1.286 -4.029 48 HA ARG 31 HA ARG 31 -1.321 3.055 -3.665 49 HB2 ARG 31 HB2 ARG 31 -0.474 1.481 -6.084 50 HB3 ARG 31 HB1 ARG 31 -2.153 1.934 -5.839 51 HG2 ARG 31 HG2 ARG 31 -1.516 4.291 -5.792 52 HG3 ARG 31 HG1 ARG 31 0.172 3.833 -6.027 53 HD2 ARG 31 HD2 ARG 31 -0.289 2.944 -8.187 54 HD3 ARG 31 HD1 ARG 31 -2.028 3.103 -7.946 55 HE ARG 31 HE ARG 31 -1.471 5.606 -7.801 56 HH11 ARG 31 HH11 ARG 31 0.205 3.310 -9.847 57 HH12 ARG 31 HH12 ARG 31 0.662 4.498 -11.024 58 HH21 ARG 31 HH21 ARG 31 -0.900 7.168 -9.359 59 HH22 ARG 31 HH22 ARG 31 0.019 6.698 -10.753 60 H TYR 32 HN TYR 32 -2.414 2.132 -2.107 61 HA TYR 32 HA TYR 32 -2.682 -0.772 -2.035 62 HB2 TYR 32 HB2 TYR 32 -3.337 1.365 0.000 63 HB3 TYR 32 HB1 TYR 32 -3.672 -0.345 0.234 64 HD1 TYR 32 HD2 TYR 32 -1.753 -1.956 0.368 65 HD2 TYR 32 HD1 TYR 32 -1.186 2.252 0.366 66 HE1 TYR 32 HE2 TYR 32 0.508 -2.266 1.279 67 HE2 TYR 32 HE1 TYR 32 1.074 1.962 1.273 68 HH TYR 32 HH TYR 32 2.366 0.372 2.491 69 H ARG 33 HN ARG 33 -4.421 -1.685 -2.830 70 HA ARG 33 HA ARG 33 -6.858 -0.072 -3.109 71 HB2 ARG 33 HB2 ARG 33 -5.965 -1.250 -5.124 72 HB3 ARG 33 HB1 ARG 33 -6.218 -2.782 -4.297 73 HG2 ARG 33 HG2 ARG 33 -8.611 -2.355 -4.205 74 HG3 ARG 33 HG1 ARG 33 -8.372 -0.798 -5.001 75 HD2 ARG 33 HD2 ARG 33 -9.102 -2.449 -6.611 76 HD3 ARG 33 HD1 ARG 33 -7.444 -1.959 -6.955 77 HE ARG 33 HE ARG 33 -7.719 -4.341 -5.330 78 HH11 ARG 33 HH11 ARG 33 -7.344 -3.029 -8.552 79 HH12 ARG 33 HH12 ARG 33 -6.758 -4.517 -9.227 80 HH21 ARG 33 HH21 ARG 33 -6.943 -6.302 -6.218 81 HH22 ARG 33 HH22 ARG 33 -6.564 -6.385 -7.909 82 H THR 34 HN THR 34 -8.200 -0.226 -1.469 83 HA THR 34 HA THR 34 -8.036 -2.291 0.485 84 HB THR 34 HB THR 34 -9.972 -1.178 1.500 85 HG1 THR 34 HG1 THR 34 -10.115 1.061 0.192 86 HG21 THR 34 HG21 THR 34 -8.770 0.946 1.969 87 HG22 THR 34 HG22 THR 34 -7.668 0.573 0.648 88 HG23 THR 34 HG23 THR 34 -7.727 -0.473 2.067 89 H ASP 35 HN ASP 35 -9.970 -3.546 1.191 90 HA ASP 35 HA ASP 35 -10.987 -5.200 -0.825 91 HB2 ASP 35 HB2 ASP 35 -10.865 -5.729 1.641 92 HB3 ASP 35 HB1 ASP 35 -12.266 -4.693 1.873 93 H ASN 36 HN ASN 36 -11.920 -2.124 0.235 94 HA ASN 36 HA ASN 36 -14.638 -2.079 -0.623 95 HB2 ASN 36 HB2 ASN 36 -12.637 0.141 -0.163 96 HB3 ASN 36 HB1 ASN 36 -14.360 0.380 -0.418 97 HD21 ASN 36 HD21 ASN 36 -14.147 1.506 1.599 98 HD22 ASN 36 HD22 ASN 36 -14.295 0.611 3.081 99 H GLY 37 HN GLY 37 -11.590 -1.855 -2.197 100 HA2 GLY 37 HA2 GLY 37 -11.346 -1.890 -4.555 101 HA3 GLY 37 HA1 GLY 37 -12.909 -1.099 -4.693 102 H GLU 38 HN GLU 38 -11.674 0.577 -2.293 103 HA GLU 38 HA GLU 38 -11.058 2.854 -3.856 104 HB2 GLU 38 HB2 GLU 38 -10.377 2.384 -0.952 105 HB3 GLU 38 HB1 GLU 38 -10.542 3.937 -1.756 106 HG2 GLU 38 HG2 GLU 38 -12.902 3.599 -2.039 107 HG3 GLU 38 HG1 GLU 38 -12.780 1.962 -1.394 108 H GLU 39 HN GLU 39 -9.205 3.451 -4.785 109 HA GLU 39 HA GLU 39 -6.743 2.028 -4.122 110 HB2 GLU 39 HB2 GLU 39 -7.279 4.050 -6.307 111 HB3 GLU 39 HB1 GLU 39 -5.810 3.105 -6.116 112 HG2 GLU 39 HG2 GLU 39 -7.094 1.053 -6.492 113 HG3 GLU 39 HG1 GLU 39 -8.550 2.021 -6.723 114 H PHE 40 HN PHE 40 -5.197 2.898 -2.895 115 HA PHE 40 HA PHE 40 -5.434 5.766 -2.234 116 HB2 PHE 40 HB2 PHE 40 -4.633 3.447 -0.475 117 HB3 PHE 40 HB1 PHE 40 -4.362 5.127 -0.031 118 HD1 PHE 40 HD2 PHE 40 -6.275 6.616 0.395 119 HD2 PHE 40 HD1 PHE 40 -6.785 2.456 -0.341 120 HE1 PHE 40 HE2 PHE 40 -8.554 6.739 1.305 121 HE2 PHE 40 HE1 PHE 40 -9.069 2.570 0.573 122 HZ PHE 40 HZ PHE 40 -9.937 4.714 1.440 123 H GLU 41 HN GLU 41 -3.619 7.007 -2.171 124 HA GLU 41 HA GLU 41 -1.130 5.715 -3.052 125 HB2 GLU 41 HB2 GLU 41 -0.493 7.959 -3.933 126 HB3 GLU 41 HB1 GLU 41 -1.903 7.272 -4.720 127 HG2 GLU 41 HG2 GLU 41 -3.347 8.690 -3.309 128 HG3 GLU 41 HG1 GLU 41 -1.903 9.416 -2.606 129 H VAL 42 HN VAL 42 0.623 5.867 -1.784 130 HA VAL 42 HA VAL 42 0.675 7.789 0.403 131 HB VAL 42 HB VAL 42 1.482 5.924 1.961 132 HG11 VAL 42 HG11 VAL 42 -0.828 5.291 2.602 133 HG12 VAL 42 HG12 VAL 42 -1.416 6.054 1.122 134 HG13 VAL 42 HG13 VAL 42 -0.621 7.027 2.360 135 HG21 VAL 42 HG21 VAL 42 0.045 4.265 -0.093 136 HG22 VAL 42 HG22 VAL 42 0.510 3.713 1.518 137 HG23 VAL 42 HG23 VAL 42 1.751 4.167 0.347 138 HA PRO 43 HA PRO 43 4.821 7.625 -1.435 139 HB2 PRO 43 HB2 PRO 43 4.906 10.332 -0.265 140 HB3 PRO 43 HB1 PRO 43 5.192 9.821 -1.932 141 HG2 PRO 43 HG2 PRO 43 2.971 11.151 -1.320 142 HG3 PRO 43 HG1 PRO 43 2.905 9.770 -2.443 143 HD2 PRO 43 HD2 PRO 43 2.268 9.807 0.497 144 HD3 PRO 43 HD1 PRO 43 1.292 9.176 -0.852 145 H PHE 44 HN PHE 44 5.915 6.276 -0.134 146 HA PHE 44 HA PHE 44 6.463 7.019 2.641 147 HB2 PHE 44 HB2 PHE 44 6.929 4.506 1.049 148 HB3 PHE 44 HB1 PHE 44 7.666 4.751 2.626 149 HD1 PHE 44 HD2 PHE 44 6.134 5.188 4.601 150 HD2 PHE 44 HD1 PHE 44 4.748 3.705 0.862 151 HE1 PHE 44 HE2 PHE 44 4.101 4.343 5.697 152 HE2 PHE 44 HE1 PHE 44 2.714 2.857 1.950 153 HZ PHE 44 HZ PHE 44 2.387 3.171 4.370 154 H ALA 45 HN ALA 45 8.757 6.448 3.389 155 HA ALA 45 HA ALA 45 10.632 7.994 1.807 156 HB1 ALA 45 HB1 ALA 45 10.961 6.712 4.517 157 HB2 ALA 45 HB2 ALA 45 10.443 8.371 4.223 158 HB3 ALA 45 HB3 ALA 45 12.068 7.861 3.768 159 H ASP 46 HN ASP 46 13.055 6.876 2.391 160 HA ASP 46 HA ASP 46 13.034 4.611 0.589 161 HB2 ASP 46 HB2 ASP 46 15.444 4.818 0.532 162 HB3 ASP 46 HB1 ASP 46 14.727 6.416 0.361 163 H ASP 47 HN ASP 47 13.131 5.087 3.947 164 HA ASP 47 HA ASP 47 14.617 2.658 4.502 165 HB2 ASP 47 HB2 ASP 47 14.685 3.337 6.732 166 HB3 ASP 47 HB1 ASP 47 14.679 4.870 5.869 167 H ALA 48 HN ALA 48 11.414 3.535 3.935 168 HA ALA 48 HA ALA 48 10.178 1.602 5.670 169 HB1 ALA 48 HB1 ALA 48 8.095 2.331 4.708 170 HB2 ALA 48 HB2 ALA 48 8.946 3.179 3.418 171 HB3 ALA 48 HB3 ALA 48 9.087 3.741 5.082 172 H GLU 49 HN GLU 49 10.015 -0.471 5.247 173 HA GLU 49 HA GLU 49 10.223 -1.483 2.535 174 HB2 GLU 49 HB2 GLU 49 9.819 -2.886 5.189 175 HB3 GLU 49 HB1 GLU 49 9.968 -3.714 3.643 176 HG2 GLU 49 HG2 GLU 49 12.206 -2.803 3.359 177 HG3 GLU 49 HG1 GLU 49 12.058 -1.941 4.889 178 H ILE 50 HN ILE 50 8.506 -1.602 1.268 179 HA ILE 50 HA ILE 50 5.923 -0.985 2.451 180 HB ILE 50 HB ILE 50 6.782 -0.993 -0.431 181 HG12 ILE 50 HG12 ILE 50 6.476 1.194 1.635 182 HG13 ILE 50 HG11 ILE 50 7.959 0.691 0.831 183 HG21 ILE 50 HG21 ILE 50 4.362 -1.372 -0.109 184 HG22 ILE 50 HG22 ILE 50 4.710 0.180 -0.871 185 HG23 ILE 50 HG23 ILE 50 4.277 0.116 0.838 186 HD11 ILE 50 HD11 ILE 50 7.031 1.477 -1.299 187 HD12 ILE 50 HD12 ILE 50 7.179 2.757 -0.097 188 HD13 ILE 50 HD13 ILE 50 5.604 2.042 -0.435 189 HA PRO 51 HA PRO 51 4.696 -5.241 1.634 190 HB2 PRO 51 HB2 PRO 51 2.770 -5.371 3.465 191 HB3 PRO 51 HB1 PRO 51 4.468 -5.312 3.955 192 HG2 PRO 51 HG2 PRO 51 2.415 -3.139 3.966 193 HG3 PRO 51 HG1 PRO 51 3.695 -3.474 5.143 194 HD2 PRO 51 HD2 PRO 51 3.814 -1.573 3.092 195 HD3 PRO 51 HD1 PRO 51 5.197 -2.201 4.010 196 H GLY 52 HN GLY 52 2.552 -6.270 1.169 197 HA2 GLY 52 HA2 GLY 52 0.973 -4.543 -0.567 198 HA3 GLY 52 HA1 GLY 52 0.904 -6.290 -0.498 199 H THR 53 HN THR 53 0.834 -4.909 2.578 200 HA THR 53 HA THR 53 -2.039 -4.422 2.514 201 HB THR 53 HB THR 53 -2.227 -5.637 4.755 202 HG1 THR 53 HG1 THR 53 -0.638 -6.952 5.341 203 HG21 THR 53 HG21 THR 53 -3.234 -6.421 2.629 204 HG22 THR 53 HG22 THR 53 -2.750 -7.749 3.686 205 HG23 THR 53 HG23 THR 53 -1.759 -7.321 2.291 206 H TRP 54 HN TRP 54 -2.718 -2.848 3.857 207 HA TRP 54 HA TRP 54 -1.073 -1.689 5.900 208 HB2 TRP 54 HB2 TRP 54 0.029 -0.994 3.734 209 HB3 TRP 54 HB1 TRP 54 -1.443 -0.122 3.338 210 HD1 TRP 54 HD1 TRP 54 -1.585 2.316 4.154 211 HE1 TRP 54 HE1 TRP 54 -0.143 3.803 5.672 212 HE3 TRP 54 HE3 TRP 54 1.599 -1.244 5.976 213 HZ2 TRP 54 HZ2 TRP 54 2.059 3.501 7.431 214 HZ3 TRP 54 HZ3 TRP 54 3.347 -0.566 7.567 215 HH2 TRP 54 HH2 TRP 54 3.572 1.760 8.277 216 H LEU 55 HN LEU 55 -2.411 -0.693 7.302 217 HA LEU 55 HA LEU 55 -5.186 -0.472 6.841 218 HB2 LEU 55 HB2 LEU 55 -4.215 -0.715 9.083 219 HB3 LEU 55 HB1 LEU 55 -3.472 0.866 8.938 220 HG LEU 55 HG LEU 55 -5.728 1.889 8.823 221 HD11 LEU 55 HD11 LEU 55 -6.671 -0.907 9.426 222 HD12 LEU 55 HD12 LEU 55 -6.962 -0.007 7.937 223 HD13 LEU 55 HD13 LEU 55 -7.672 0.545 9.454 224 HD21 LEU 55 HD21 LEU 55 -5.244 0.164 11.245 225 HD22 LEU 55 HD22 LEU 55 -6.254 1.606 11.180 226 HD23 LEU 55 HD23 LEU 55 -4.513 1.738 10.937 227 H CYS 56 HN CYS 56 -6.423 1.172 6.050 228 HA CYS 56 HA CYS 56 -4.951 3.570 5.181 229 HB2 CYS 56 HB2 CYS 56 -7.377 2.275 3.915 230 HB3 CYS 56 HB1 CYS 56 -6.543 3.705 3.314 231 HG CYS 56 HG CYS 56 -4.565 1.031 3.695 232 H ARG 57 HN ARG 57 -6.649 5.420 4.711 233 HA ARG 57 HA ARG 57 -7.734 6.102 7.249 234 HB2 ARG 57 HB2 ARG 57 -8.518 8.166 6.134 235 HB3 ARG 57 HB1 ARG 57 -6.812 7.841 5.861 236 HG2 ARG 57 HG2 ARG 57 -7.348 6.937 3.663 237 HG3 ARG 57 HG1 ARG 57 -9.050 7.290 3.945 238 HD2 ARG 57 HD2 ARG 57 -7.964 9.007 2.563 239 HD3 ARG 57 HD1 ARG 57 -8.570 9.660 4.084 240 HE ARG 57 HE ARG 57 -6.004 9.084 4.677 241 HH11 ARG 57 HH11 ARG 57 -7.436 10.825 1.992 242 HH12 ARG 57 HH12 ARG 57 -6.107 11.932 1.838 243 HH21 ARG 57 HH21 ARG 57 -4.242 10.529 4.450 244 HH22 ARG 57 HH22 ARG 57 -4.292 11.745 3.216 245 H ASN 58 HN ASN 58 -8.959 4.197 4.816 246 HA ASN 58 HA ASN 58 -11.736 4.891 5.274 247 HB2 ASN 58 HB2 ASN 58 -12.285 3.204 3.646 248 HB3 ASN 58 HB1 ASN 58 -10.930 4.136 3.029 249 HD21 ASN 58 HD21 ASN 58 -11.718 1.583 2.150 250 HD22 ASN 58 HD22 ASN 58 -10.415 0.479 2.481 251 H GLY 59 HN GLY 59 -9.361 3.019 6.770 252 HA2 GLY 59 HA2 GLY 59 -9.629 1.994 8.849 253 HA3 GLY 59 HA1 GLY 59 -11.369 2.038 8.629 254 H MET 60 HN MET 60 -9.576 0.854 6.003 255 HA MET 60 HA MET 60 -9.875 -1.927 6.897 256 HB2 MET 60 HB2 MET 60 -11.742 -1.312 5.363 257 HB3 MET 60 HB1 MET 60 -10.557 -0.895 4.136 258 HG2 MET 60 HG2 MET 60 -11.504 -3.089 3.727 259 HG3 MET 60 HG1 MET 60 -9.780 -3.200 4.081 260 HE1 MET 60 HE1 MET 60 -11.760 -5.742 4.169 261 HE2 MET 60 HE2 MET 60 -11.146 -6.528 5.625 262 HE3 MET 60 HE3 MET 60 -10.022 -5.803 4.473 263 H GLU 61 HN GLU 61 -8.335 -3.361 5.961 264 HA GLU 61 HA GLU 61 -5.819 -2.142 5.447 265 HB2 GLU 61 HB2 GLU 61 -6.661 -5.029 5.146 266 HB3 GLU 61 HB1 GLU 61 -5.002 -4.443 5.145 267 HG2 GLU 61 HG2 GLU 61 -5.356 -3.597 7.451 268 HG3 GLU 61 HG1 GLU 61 -6.955 -4.343 7.434 269 H GLY 62 HN GLY 62 -4.847 -1.686 3.575 270 HA2 GLY 62 HA2 GLY 62 -6.319 -2.331 1.115 271 HA3 GLY 62 HA1 GLY 62 -5.206 -0.989 1.308 272 H THR 63 HN THR 63 -5.350 -3.261 -0.617 273 HA THR 63 HA THR 63 -2.793 -4.595 -0.090 274 HB THR 63 HB THR 63 -4.849 -5.114 -2.227 275 HG1 THR 63 HG1 THR 63 -4.294 -6.515 0.194 276 HG21 THR 63 HG21 THR 63 -2.607 -5.814 -2.897 277 HG22 THR 63 HG22 THR 63 -3.636 -7.212 -2.594 278 HG23 THR 63 HG23 THR 63 -2.439 -6.726 -1.397 279 H LEU 64 HN LEU 64 -1.062 -3.475 -0.828 280 HA LEU 64 HA LEU 64 -1.136 -1.652 -2.970 281 HB2 LEU 64 HB2 LEU 64 0.704 -1.247 -1.704 282 HB3 LEU 64 HB1 LEU 64 1.006 -2.940 -1.382 283 HG LEU 64 HG LEU 64 1.830 -3.108 -3.780 284 HD11 LEU 64 HD11 LEU 64 2.447 -1.080 -4.873 285 HD12 LEU 64 HD12 LEU 64 1.902 -0.129 -3.491 286 HD13 LEU 64 HD13 LEU 64 0.731 -1.011 -4.470 287 HD21 LEU 64 HD21 LEU 64 3.340 -1.268 -1.931 288 HD22 LEU 64 HD22 LEU 64 4.022 -2.264 -3.216 289 HD23 LEU 64 HD23 LEU 64 3.307 -3.025 -1.794 290 H ILE 65 HN ILE 65 -1.209 -1.946 -5.007 291 HA ILE 65 HA ILE 65 -1.761 -4.448 -6.111 292 HB ILE 65 HB ILE 65 -0.969 -1.989 -7.646 293 HG12 ILE 65 HG12 ILE 65 -3.763 -2.668 -6.735 294 HG13 ILE 65 HG11 ILE 65 -2.703 -1.650 -5.773 295 HG21 ILE 65 HG21 ILE 65 -2.484 -2.871 -9.345 296 HG22 ILE 65 HG22 ILE 65 -2.853 -4.250 -8.309 297 HG23 ILE 65 HG23 ILE 65 -1.225 -4.044 -8.958 298 HD11 ILE 65 HD11 ILE 65 -2.549 -0.099 -7.702 299 HD12 ILE 65 HD12 ILE 65 -4.173 -0.264 -7.030 300 HD13 ILE 65 HD13 ILE 65 -3.746 -1.092 -8.533 301 H GLU 66 HN GLU 66 -0.380 -5.934 -6.284 302 HA GLU 66 HA GLU 66 1.353 -7.229 -6.872 303 HB2 GLU 66 HB2 GLU 66 2.143 -4.843 -8.528 304 HB3 GLU 66 HB1 GLU 66 2.872 -6.438 -8.645 305 HG2 GLU 66 HG2 GLU 66 0.027 -5.691 -9.264 306 HG3 GLU 66 HG1 GLU 66 1.276 -6.176 -10.409 307 H GLY 67 HN GLY 67 1.454 -5.560 -4.516 308 HA2 GLY 67 HA2 GLY 67 4.238 -4.809 -4.202 309 HA3 GLY 67 HA1 GLY 67 2.993 -4.757 -2.958 310 H ASP 68 HN ASP 68 4.591 -5.700 -1.504 311 HA ASP 68 HA ASP 68 5.329 -8.468 -2.125 312 HB2 ASP 68 HB2 ASP 68 6.384 -6.561 -0.035 313 HB3 ASP 68 HB1 ASP 68 6.881 -8.244 -0.168 314 H LEU 69 HN LEU 69 4.590 -10.156 -1.015 315 HA LEU 69 HA LEU 69 2.636 -9.604 1.105 316 HB2 LEU 69 HB2 LEU 69 1.750 -10.781 -0.853 317 HB3 LEU 69 HB1 LEU 69 2.958 -12.037 -0.659 318 HG LEU 69 HG LEU 69 1.944 -12.628 1.533 319 HD11 LEU 69 HD11 LEU 69 -0.167 -10.641 0.713 320 HD12 LEU 69 HD12 LEU 69 0.929 -10.499 2.087 321 HD13 LEU 69 HD13 LEU 69 -0.291 -11.772 2.061 322 HD21 LEU 69 HD21 LEU 69 1.350 -13.850 -0.490 323 HD22 LEU 69 HD22 LEU 69 0.061 -12.691 -0.819 324 HD23 LEU 69 HD23 LEU 69 -0.027 -13.726 0.605 325 HA PRO 70 HA PRO 70 5.899 -11.272 3.782 326 HB2 PRO 70 HB2 PRO 70 3.804 -10.628 5.783 327 HB3 PRO 70 HB1 PRO 70 5.514 -10.184 5.762 328 HG2 PRO 70 HG2 PRO 70 3.644 -8.369 5.226 329 HG3 PRO 70 HG1 PRO 70 5.167 -8.398 4.316 330 HD2 PRO 70 HD2 PRO 70 2.459 -9.412 3.515 331 HD3 PRO 70 HD1 PRO 70 3.655 -8.510 2.556 332 H GLU 71 HN GLU 71 6.091 -13.387 4.139 333 HA GLU 71 HA GLU 71 3.682 -15.026 4.231 334 HB2 GLU 71 HB2 GLU 71 5.604 -15.525 2.661 335 HB3 GLU 71 HB1 GLU 71 6.557 -15.945 4.077 336 HG2 GLU 71 HG2 GLU 71 5.715 -17.948 3.094 337 HG3 GLU 71 HG1 GLU 71 4.887 -17.687 4.627 Start of MODEL 9 1 H2 PRO 26 HT1 PRO 26 11.293 3.342 -5.312 2 H3 PRO 26 HT2 PRO 26 11.604 1.920 -4.571 3 HA PRO 26 HA PRO 26 12.293 2.966 -2.888 4 HB2 PRO 26 HB2 PRO 26 14.447 4.543 -4.056 5 HB3 PRO 26 HB1 PRO 26 14.533 3.197 -2.910 6 HG2 PRO 26 HG2 PRO 26 15.307 2.953 -5.493 7 HG3 PRO 26 HG1 PRO 26 14.611 1.610 -4.566 8 HD2 PRO 26 HD2 PRO 26 13.289 3.421 -6.564 9 HD3 PRO 26 HD1 PRO 26 13.160 1.663 -6.397 10 H ARG 27 HN ARG 27 11.857 4.818 -1.738 11 HA ARG 27 HA ARG 27 10.771 6.776 -1.305 12 HB2 ARG 27 HB2 ARG 27 12.968 7.609 -2.337 13 HB3 ARG 27 HB1 ARG 27 12.057 7.852 -3.820 14 HG2 ARG 27 HG2 ARG 27 10.575 9.405 -2.666 15 HG3 ARG 27 HG1 ARG 27 11.473 9.156 -1.169 16 HD2 ARG 27 HD2 ARG 27 13.502 10.017 -2.298 17 HD3 ARG 27 HD1 ARG 27 12.526 10.352 -3.729 18 HE ARG 27 HE ARG 27 11.443 11.566 -1.383 19 HH11 ARG 27 HH11 ARG 27 13.932 11.938 -3.817 20 HH12 ARG 27 HH12 ARG 27 13.973 13.665 -3.684 21 HH21 ARG 27 HH21 ARG 27 11.504 13.842 -1.206 22 HH22 ARG 27 HH22 ARG 27 12.612 14.748 -2.190 23 H GLN 28 HN GLN 28 9.324 4.872 -2.580 24 HA GLN 28 HA GLN 28 8.045 6.113 -4.907 25 HB2 GLN 28 HB2 GLN 28 7.417 3.859 -5.561 26 HB3 GLN 28 HB1 GLN 28 9.149 3.946 -5.282 27 HG2 GLN 28 HG2 GLN 28 8.638 3.052 -2.946 28 HG3 GLN 28 HG1 GLN 28 7.043 2.658 -3.584 29 HE21 GLN 28 HE21 GLN 28 7.303 0.462 -3.398 30 HE22 GLN 28 HE22 GLN 28 8.391 -0.447 -4.381 31 H ILE 29 HN ILE 29 5.723 5.248 -5.203 32 HA ILE 29 HA ILE 29 4.297 5.930 -2.751 33 HB ILE 29 HB ILE 29 3.296 5.813 -5.597 34 HG12 ILE 29 HG12 ILE 29 4.001 8.170 -3.828 35 HG13 ILE 29 HG11 ILE 29 4.910 7.620 -5.230 36 HG21 ILE 29 HG21 ILE 29 1.960 6.842 -3.095 37 HG22 ILE 29 HG22 ILE 29 1.534 5.371 -3.967 38 HG23 ILE 29 HG23 ILE 29 1.311 6.943 -4.730 39 HD11 ILE 29 HD11 ILE 29 2.096 8.680 -5.290 40 HD12 ILE 29 HD12 ILE 29 3.061 8.192 -6.685 41 HD13 ILE 29 HD13 ILE 29 3.547 9.585 -5.719 42 H ALA 30 HN ALA 30 3.316 4.378 -1.599 43 HA ALA 30 HA ALA 30 2.954 1.759 -2.830 44 HB1 ALA 30 HB1 ALA 30 3.899 1.839 -0.581 45 HB2 ALA 30 HB2 ALA 30 2.335 1.025 -0.564 46 HB3 ALA 30 HB3 ALA 30 2.470 2.686 -0.001 47 H ARG 31 HN ARG 31 1.003 0.966 -3.429 48 HA ARG 31 HA ARG 31 -1.269 2.805 -3.117 49 HB2 ARG 31 HB2 ARG 31 -0.377 3.003 -5.375 50 HB3 ARG 31 HB1 ARG 31 -0.462 1.259 -5.587 51 HG2 ARG 31 HG2 ARG 31 -2.906 1.364 -5.371 52 HG3 ARG 31 HG1 ARG 31 -2.801 3.120 -5.217 53 HD2 ARG 31 HD2 ARG 31 -1.853 1.514 -7.584 54 HD3 ARG 31 HD1 ARG 31 -3.375 2.398 -7.499 55 HE ARG 31 HE ARG 31 -0.813 3.805 -7.177 56 HH11 ARG 31 HH11 ARG 31 -3.810 3.284 -8.932 57 HH12 ARG 31 HH12 ARG 31 -3.635 4.736 -9.878 58 HH21 ARG 31 HH21 ARG 31 -0.583 5.686 -8.437 59 HH22 ARG 31 HH22 ARG 31 -1.810 6.101 -9.591 60 H TYR 32 HN TYR 32 -2.481 1.778 -1.705 61 HA TYR 32 HA TYR 32 -2.898 -1.101 -1.954 62 HB2 TYR 32 HB2 TYR 32 -3.712 0.786 0.268 63 HB3 TYR 32 HB1 TYR 32 -3.792 -0.971 0.307 64 HD1 TYR 32 HD2 TYR 32 -1.722 -2.314 0.478 65 HD2 TYR 32 HD1 TYR 32 -1.638 1.941 0.617 66 HE1 TYR 32 HE2 TYR 32 0.544 -2.382 1.420 67 HE2 TYR 32 HE1 TYR 32 0.633 1.872 1.552 68 HH TYR 32 HH TYR 32 2.520 -0.949 1.567 69 H ARG 33 HN ARG 33 -4.841 -1.967 -2.504 70 HA ARG 33 HA ARG 33 -6.948 -0.074 -3.251 71 HB2 ARG 33 HB2 ARG 33 -6.224 -1.895 -4.840 72 HB3 ARG 33 HB1 ARG 33 -6.883 -3.063 -3.705 73 HG2 ARG 33 HG2 ARG 33 -9.075 -1.772 -3.921 74 HG3 ARG 33 HG1 ARG 33 -8.338 -1.007 -5.327 75 HD2 ARG 33 HD2 ARG 33 -9.627 -2.856 -6.102 76 HD3 ARG 33 HD1 ARG 33 -7.924 -3.288 -6.252 77 HE ARG 33 HE ARG 33 -9.150 -4.149 -3.795 78 HH11 ARG 33 HH11 ARG 33 -8.513 -4.964 -7.128 79 HH12 ARG 33 HH12 ARG 33 -8.627 -6.675 -6.871 80 HH21 ARG 33 HH21 ARG 33 -9.309 -6.411 -3.440 81 HH22 ARG 33 HH22 ARG 33 -9.057 -7.500 -4.763 82 H THR 34 HN THR 34 -8.834 0.087 -2.200 83 HA THR 34 HA THR 34 -9.064 -1.328 0.322 84 HB THR 34 HB THR 34 -10.983 0.219 0.692 85 HG1 THR 34 HG1 THR 34 -9.885 1.568 -1.573 86 HG21 THR 34 HG21 THR 34 -8.820 0.607 1.687 87 HG22 THR 34 HG22 THR 34 -9.481 2.145 1.128 88 HG23 THR 34 HG23 THR 34 -8.227 1.330 0.195 89 H ASP 35 HN ASP 35 -11.447 -1.768 0.977 90 HA ASP 35 HA ASP 35 -12.268 -4.018 -0.484 91 HB2 ASP 35 HB2 ASP 35 -12.701 -3.848 1.886 92 HB3 ASP 35 HB1 ASP 35 -13.673 -2.401 1.652 93 H ASN 36 HN ASN 36 -13.310 -0.680 -0.547 94 HA ASN 36 HA ASN 36 -15.558 -1.263 -2.272 95 HB2 ASN 36 HB2 ASN 36 -15.826 1.239 -2.286 96 HB3 ASN 36 HB1 ASN 36 -15.914 0.484 -0.698 97 HD21 ASN 36 HD21 ASN 36 -14.149 2.622 -2.740 98 HD22 ASN 36 HD22 ASN 36 -13.037 3.173 -1.540 99 H GLY 37 HN GLY 37 -12.330 -1.123 -2.825 100 HA2 GLY 37 HA2 GLY 37 -11.579 -1.613 -5.022 101 HA3 GLY 37 HA1 GLY 37 -12.919 -0.680 -5.657 102 H GLU 38 HN GLU 38 -12.260 1.557 -3.743 103 HA GLU 38 HA GLU 38 -10.783 3.081 -5.566 104 HB2 GLU 38 HB2 GLU 38 -11.569 3.529 -2.708 105 HB3 GLU 38 HB1 GLU 38 -10.548 4.685 -3.551 106 HG2 GLU 38 HG2 GLU 38 -13.312 3.826 -4.369 107 HG3 GLU 38 HG1 GLU 38 -12.865 5.368 -3.638 108 H GLU 39 HN GLU 39 -8.721 3.837 -5.602 109 HA GLU 39 HA GLU 39 -6.768 2.110 -4.308 110 HB2 GLU 39 HB2 GLU 39 -6.401 4.225 -6.440 111 HB3 GLU 39 HB1 GLU 39 -5.177 3.089 -5.897 112 HG2 GLU 39 HG2 GLU 39 -6.462 1.235 -6.766 113 HG3 GLU 39 HG1 GLU 39 -7.762 2.330 -7.234 114 H PHE 40 HN PHE 40 -5.668 2.715 -2.586 115 HA PHE 40 HA PHE 40 -5.673 5.574 -1.862 116 HB2 PHE 40 HB2 PHE 40 -5.539 3.081 -0.178 117 HB3 PHE 40 HB1 PHE 40 -5.044 4.643 0.455 118 HD1 PHE 40 HD1 PHE 40 -7.914 3.493 -1.630 119 HD2 PHE 40 HD2 PHE 40 -6.634 5.480 1.911 120 HE1 PHE 40 HE1 PHE 40 -10.254 3.995 -1.073 121 HE2 PHE 40 HE2 PHE 40 -8.976 5.990 2.474 122 HZ PHE 40 HZ PHE 40 -10.773 5.214 1.078 123 H GLU 41 HN GLU 41 -3.827 6.627 -1.979 124 HA GLU 41 HA GLU 41 -1.398 5.044 -2.408 125 HB2 GLU 41 HB2 GLU 41 -0.484 6.953 -3.578 126 HB3 GLU 41 HB1 GLU 41 -2.054 6.551 -4.252 127 HG2 GLU 41 HG2 GLU 41 -1.638 8.735 -2.228 128 HG3 GLU 41 HG1 GLU 41 -1.567 8.993 -3.969 129 H VAL 42 HN VAL 42 0.412 5.361 -1.244 130 HA VAL 42 HA VAL 42 0.511 7.494 0.725 131 HB VAL 42 HB VAL 42 1.416 5.891 2.449 132 HG11 VAL 42 HG11 VAL 42 -1.477 5.456 1.707 133 HG12 VAL 42 HG12 VAL 42 -0.867 6.875 2.559 134 HG13 VAL 42 HG13 VAL 42 -0.760 5.282 3.310 135 HG21 VAL 42 HG21 VAL 42 1.853 3.981 1.116 136 HG22 VAL 42 HG22 VAL 42 0.166 3.883 0.607 137 HG23 VAL 42 HG23 VAL 42 0.604 3.565 2.289 138 HA PRO 43 HA PRO 43 4.467 7.229 -1.464 139 HB2 PRO 43 HB2 PRO 43 4.613 10.030 -0.533 140 HB3 PRO 43 HB1 PRO 43 4.762 9.377 -2.169 141 HG2 PRO 43 HG2 PRO 43 2.575 10.719 -1.480 142 HG3 PRO 43 HG1 PRO 43 2.446 9.243 -2.467 143 HD2 PRO 43 HD2 PRO 43 2.058 9.544 0.500 144 HD3 PRO 43 HD1 PRO 43 0.995 8.764 -0.698 145 H PHE 44 HN PHE 44 5.742 6.014 -0.190 146 HA PHE 44 HA PHE 44 6.599 7.044 2.405 147 HB2 PHE 44 HB2 PHE 44 7.043 4.393 1.034 148 HB3 PHE 44 HB1 PHE 44 7.808 4.830 2.553 149 HD1 PHE 44 HD2 PHE 44 6.108 5.672 4.410 150 HD2 PHE 44 HD1 PHE 44 5.107 3.177 1.112 151 HE1 PHE 44 HE2 PHE 44 4.155 4.827 5.647 152 HE2 PHE 44 HE1 PHE 44 3.155 2.326 2.341 153 HZ PHE 44 HZ PHE 44 2.676 3.152 4.613 154 H ALA 45 HN ALA 45 8.863 7.120 2.939 155 HA ALA 45 HA ALA 45 10.465 8.155 0.780 156 HB1 ALA 45 HB1 ALA 45 12.098 8.684 2.505 157 HB2 ALA 45 HB2 ALA 45 11.164 7.768 3.687 158 HB3 ALA 45 HB3 ALA 45 10.491 9.235 2.977 159 H ASP 46 HN ASP 46 12.903 7.429 0.890 160 HA ASP 46 HA ASP 46 12.830 4.718 -0.061 161 HB2 ASP 46 HB2 ASP 46 15.129 5.097 -0.748 162 HB3 ASP 46 HB1 ASP 46 14.139 6.480 -1.198 163 H ASP 47 HN ASP 47 13.174 5.966 2.962 164 HA ASP 47 HA ASP 47 15.032 3.904 3.890 165 HB2 ASP 47 HB2 ASP 47 15.039 5.090 6.009 166 HB3 ASP 47 HB1 ASP 47 15.340 6.229 4.702 167 H ALA 48 HN ALA 48 11.873 4.090 3.195 168 HA ALA 48 HA ALA 48 10.965 2.649 5.588 169 HB1 ALA 48 HB1 ALA 48 8.689 3.179 4.823 170 HB2 ALA 48 HB2 ALA 48 9.371 4.023 3.432 171 HB3 ALA 48 HB3 ALA 48 9.669 4.625 5.063 172 H GLU 49 HN GLU 49 9.613 0.792 5.346 173 HA GLU 49 HA GLU 49 10.375 -0.895 3.097 174 HB2 GLU 49 HB2 GLU 49 8.710 -1.526 5.549 175 HB3 GLU 49 HB1 GLU 49 9.263 -2.698 4.361 176 HG2 GLU 49 HG2 GLU 49 11.064 -1.030 6.103 177 HG3 GLU 49 HG1 GLU 49 10.594 -2.696 6.434 178 H ILE 50 HN ILE 50 8.900 -1.767 1.612 179 HA ILE 50 HA ILE 50 6.279 -0.420 1.567 180 HB ILE 50 HB ILE 50 7.785 -1.540 -0.805 181 HG12 ILE 50 HG12 ILE 50 8.974 0.384 0.183 182 HG13 ILE 50 HG11 ILE 50 8.313 0.766 -1.402 183 HG21 ILE 50 HG21 ILE 50 5.342 0.216 -0.639 184 HG22 ILE 50 HG22 ILE 50 5.376 -1.485 -1.103 185 HG23 ILE 50 HG23 ILE 50 6.157 -0.278 -2.125 186 HD11 ILE 50 HD11 ILE 50 6.448 1.929 -0.322 187 HD12 ILE 50 HD12 ILE 50 8.015 2.610 0.117 188 HD13 ILE 50 HD13 ILE 50 7.161 1.569 1.253 189 HA PRO 51 HA PRO 51 5.018 -4.789 1.869 190 HB2 PRO 51 HB2 PRO 51 3.057 -4.469 3.641 191 HB3 PRO 51 HB1 PRO 51 4.750 -4.386 4.151 192 HG2 PRO 51 HG2 PRO 51 2.799 -2.177 3.681 193 HG3 PRO 51 HG1 PRO 51 4.049 -2.323 4.930 194 HD2 PRO 51 HD2 PRO 51 4.268 -0.877 2.542 195 HD3 PRO 51 HD1 PRO 51 5.615 -1.350 3.593 196 H GLY 52 HN GLY 52 2.785 -5.789 1.610 197 HA2 GLY 52 HA2 GLY 52 1.238 -4.204 -0.352 198 HA3 GLY 52 HA1 GLY 52 1.313 -5.956 -0.312 199 H THR 53 HN THR 53 1.117 -4.602 2.764 200 HA THR 53 HA THR 53 -1.791 -4.343 2.695 201 HB THR 53 HB THR 53 -1.891 -5.564 4.940 202 HG1 THR 53 HG1 THR 53 0.713 -6.092 4.123 203 HG21 THR 53 HG21 THR 53 -2.252 -7.713 3.882 204 HG22 THR 53 HG22 THR 53 -1.302 -7.216 2.481 205 HG23 THR 53 HG23 THR 53 -2.843 -6.428 2.824 206 H TRP 54 HN TRP 54 -2.571 -2.809 4.040 207 HA TRP 54 HA TRP 54 -0.995 -1.622 6.127 208 HB2 TRP 54 HB2 TRP 54 0.060 -0.719 4.044 209 HB3 TRP 54 HB1 TRP 54 -1.489 -0.014 3.608 210 HD1 TRP 54 HD1 TRP 54 -2.059 2.323 4.611 211 HE1 TRP 54 HE1 TRP 54 -0.817 3.949 6.172 212 HE3 TRP 54 HE3 TRP 54 1.720 -0.756 6.155 213 HZ2 TRP 54 HZ2 TRP 54 1.464 3.932 7.832 214 HZ3 TRP 54 HZ3 TRP 54 3.394 0.128 7.725 215 HH2 TRP 54 HH2 TRP 54 3.266 2.426 8.544 216 H LEU 55 HN LEU 55 -2.379 -0.838 7.584 217 HA LEU 55 HA LEU 55 -5.165 -0.680 7.163 218 HB2 LEU 55 HB2 LEU 55 -4.047 -0.981 9.378 219 HB3 LEU 55 HB1 LEU 55 -3.519 0.687 9.301 220 HG LEU 55 HG LEU 55 -5.892 1.409 9.293 221 HD11 LEU 55 HD11 LEU 55 -7.632 -0.196 9.877 222 HD12 LEU 55 HD12 LEU 55 -6.459 -1.510 9.796 223 HD13 LEU 55 HD13 LEU 55 -6.881 -0.613 8.337 224 HD21 LEU 55 HD21 LEU 55 -6.303 0.948 11.646 225 HD22 LEU 55 HD22 LEU 55 -4.597 1.308 11.368 226 HD23 LEU 55 HD23 LEU 55 -5.119 -0.361 11.607 227 H CYS 56 HN CYS 56 -6.083 0.747 5.816 228 HA CYS 56 HA CYS 56 -4.625 3.172 5.145 229 HB2 CYS 56 HB2 CYS 56 -7.147 2.032 3.925 230 HB3 CYS 56 HB1 CYS 56 -6.172 3.337 3.264 231 HG CYS 56 HG CYS 56 -4.422 0.543 3.781 232 H ARG 57 HN ARG 57 -6.176 5.096 4.594 233 HA ARG 57 HA ARG 57 -7.310 6.078 6.966 234 HB2 ARG 57 HB2 ARG 57 -7.837 6.942 4.116 235 HB3 ARG 57 HB1 ARG 57 -8.254 7.867 5.548 236 HG2 ARG 57 HG2 ARG 57 -5.440 7.078 4.859 237 HG3 ARG 57 HG1 ARG 57 -6.181 8.591 4.345 238 HD2 ARG 57 HD2 ARG 57 -4.913 9.030 6.322 239 HD3 ARG 57 HD1 ARG 57 -6.621 9.103 6.745 240 HE ARG 57 HE ARG 57 -5.192 6.597 7.232 241 HH11 ARG 57 HH11 ARG 57 -6.640 9.518 8.503 242 HH12 ARG 57 HH12 ARG 57 -6.660 8.949 10.142 243 HH21 ARG 57 HH21 ARG 57 -5.207 5.845 9.391 244 HH22 ARG 57 HH22 ARG 57 -5.841 6.861 10.648 245 H ASN 58 HN ASN 58 -8.551 4.090 4.464 246 HA ASN 58 HA ASN 58 -11.323 4.395 4.847 247 HB2 ASN 58 HB2 ASN 58 -10.088 3.195 2.955 248 HB3 ASN 58 HB1 ASN 58 -9.894 1.844 4.063 249 HD21 ASN 58 HD21 ASN 58 -11.246 1.891 1.539 250 HD22 ASN 58 HD22 ASN 58 -12.898 1.503 1.831 251 H GLY 59 HN GLY 59 -8.837 2.758 6.660 252 HA2 GLY 59 HA2 GLY 59 -9.059 1.889 8.829 253 HA3 GLY 59 HA1 GLY 59 -10.812 1.910 8.643 254 H MET 60 HN MET 60 -9.374 0.712 5.930 255 HA MET 60 HA MET 60 -9.832 -2.069 6.762 256 HB2 MET 60 HB2 MET 60 -11.363 -1.192 5.001 257 HB3 MET 60 HB1 MET 60 -9.965 -0.857 3.993 258 HG2 MET 60 HG2 MET 60 -11.069 -2.918 3.328 259 HG3 MET 60 HG1 MET 60 -9.427 -3.215 3.900 260 HE1 MET 60 HE1 MET 60 -10.012 -5.814 4.073 261 HE2 MET 60 HE2 MET 60 -11.657 -5.488 3.531 262 HE3 MET 60 HE3 MET 60 -11.380 -6.444 4.985 263 H GLU 61 HN GLU 61 -8.293 -3.615 6.213 264 HA GLU 61 HA GLU 61 -5.613 -2.796 5.786 265 HB2 GLU 61 HB2 GLU 61 -6.993 -5.476 5.677 266 HB3 GLU 61 HB1 GLU 61 -5.277 -5.298 5.339 267 HG2 GLU 61 HG2 GLU 61 -6.550 -4.385 7.902 268 HG3 GLU 61 HG1 GLU 61 -5.875 -5.997 7.672 269 H GLY 62 HN GLY 62 -5.139 -1.781 3.935 270 HA2 GLY 62 HA2 GLY 62 -6.379 -2.572 1.436 271 HA3 GLY 62 HA1 GLY 62 -5.245 -1.249 1.675 272 H THR 63 HN THR 63 -5.241 -3.256 -0.404 273 HA THR 63 HA THR 63 -2.643 -4.541 0.164 274 HB THR 63 HB THR 63 -4.864 -5.467 -1.643 275 HG1 THR 63 HG1 THR 63 -4.422 -5.854 0.921 276 HG21 THR 63 HG21 THR 63 -3.468 -7.422 -2.099 277 HG22 THR 63 HG22 THR 63 -2.162 -6.709 -1.152 278 HG23 THR 63 HG23 THR 63 -2.694 -5.936 -2.648 279 H LEU 64 HN LEU 64 -1.019 -3.808 -0.955 280 HA LEU 64 HA LEU 64 -1.342 -1.944 -3.104 281 HB2 LEU 64 HB2 LEU 64 0.433 -1.827 -1.390 282 HB3 LEU 64 HB1 LEU 64 1.159 -3.275 -2.036 283 HG LEU 64 HG LEU 64 0.987 -0.549 -3.291 284 HD11 LEU 64 HD11 LEU 64 3.459 -0.718 -3.129 285 HD12 LEU 64 HD12 LEU 64 3.246 -2.222 -2.225 286 HD13 LEU 64 HD13 LEU 64 2.640 -0.703 -1.567 287 HD21 LEU 64 HD21 LEU 64 0.735 -2.277 -4.971 288 HD22 LEU 64 HD22 LEU 64 2.218 -3.037 -4.399 289 HD23 LEU 64 HD23 LEU 64 2.273 -1.428 -5.122 290 H ILE 65 HN ILE 65 -1.388 -2.346 -5.173 291 HA ILE 65 HA ILE 65 -1.629 -4.980 -6.158 292 HB ILE 65 HB ILE 65 -1.228 -2.443 -7.731 293 HG12 ILE 65 HG12 ILE 65 -3.793 -2.809 -8.116 294 HG13 ILE 65 HG11 ILE 65 -3.704 -3.746 -6.633 295 HG21 ILE 65 HG21 ILE 65 -2.250 -3.682 -9.583 296 HG22 ILE 65 HG22 ILE 65 -2.289 -5.127 -8.577 297 HG23 ILE 65 HG23 ILE 65 -0.743 -4.417 -9.040 298 HD11 ILE 65 HD11 ILE 65 -2.765 -0.896 -6.788 299 HD12 ILE 65 HD12 ILE 65 -3.153 -1.848 -5.354 300 HD13 ILE 65 HD13 ILE 65 -4.438 -1.331 -6.441 301 H GLU 66 HN GLU 66 0.031 -6.224 -6.159 302 HA GLU 66 HA GLU 66 2.072 -7.139 -6.378 303 HB2 GLU 66 HB2 GLU 66 2.338 -5.000 -8.484 304 HB3 GLU 66 HB1 GLU 66 3.517 -6.277 -8.226 305 HG2 GLU 66 HG2 GLU 66 0.642 -6.630 -9.033 306 HG3 GLU 66 HG1 GLU 66 2.058 -6.850 -10.058 307 H GLY 67 HN GLY 67 2.006 -5.838 -4.158 308 HA2 GLY 67 HA2 GLY 67 4.227 -3.972 -3.946 309 HA3 GLY 67 HA1 GLY 67 3.238 -4.577 -2.624 310 H ASP 68 HN ASP 68 4.929 -5.226 -1.265 311 HA ASP 68 HA ASP 68 6.777 -7.209 -2.358 312 HB2 ASP 68 HB2 ASP 68 7.759 -5.481 -0.927 313 HB3 ASP 68 HB1 ASP 68 6.698 -5.961 0.395 314 H LEU 69 HN LEU 69 6.627 -9.319 -1.985 315 HA LEU 69 HA LEU 69 4.210 -10.253 -0.670 316 HB2 LEU 69 HB2 LEU 69 4.767 -11.085 -2.905 317 HB3 LEU 69 HB1 LEU 69 6.281 -11.724 -2.297 318 HG LEU 69 HG LEU 69 4.975 -13.243 -0.806 319 HD11 LEU 69 HD11 LEU 69 2.636 -12.255 -2.432 320 HD12 LEU 69 HD12 LEU 69 2.908 -11.958 -0.715 321 HD13 LEU 69 HD13 LEU 69 2.612 -13.599 -1.290 322 HD21 LEU 69 HD21 LEU 69 4.294 -14.767 -2.624 323 HD22 LEU 69 HD22 LEU 69 5.891 -14.068 -2.875 324 HD23 LEU 69 HD23 LEU 69 4.508 -13.450 -3.773 325 HA PRO 70 HA PRO 70 6.620 -11.196 3.038 326 HB2 PRO 70 HB2 PRO 70 3.998 -12.334 3.820 327 HB3 PRO 70 HB1 PRO 70 5.016 -11.167 4.671 328 HG2 PRO 70 HG2 PRO 70 2.773 -10.378 3.482 329 HG3 PRO 70 HG1 PRO 70 4.238 -9.375 3.418 330 HD2 PRO 70 HD2 PRO 70 3.097 -11.189 1.318 331 HD3 PRO 70 HD1 PRO 70 3.777 -9.556 1.147 332 H GLU 71 HN GLU 71 7.245 -13.157 4.067 333 HA GLU 71 HA GLU 71 6.771 -15.515 2.386 334 HB2 GLU 71 HB2 GLU 71 9.033 -15.005 4.325 335 HB3 GLU 71 HB1 GLU 71 8.896 -16.359 3.212 336 HG2 GLU 71 HG2 GLU 71 9.024 -14.795 1.321 337 HG3 GLU 71 HG1 GLU 71 9.207 -13.462 2.458 Start of MODEL 10 1 H2 PRO 26 HT1 PRO 26 15.172 8.141 -1.436 2 H3 PRO 26 HT2 PRO 26 15.688 9.406 -2.328 3 HA PRO 26 HA PRO 26 14.214 9.191 -3.861 4 HB2 PRO 26 HB2 PRO 26 13.402 6.439 -3.780 5 HB3 PRO 26 HB1 PRO 26 14.202 7.310 -5.095 6 HG2 PRO 26 HG2 PRO 26 15.367 5.612 -2.984 7 HG3 PRO 26 HG1 PRO 26 16.011 6.021 -4.585 8 HD2 PRO 26 HD2 PRO 26 17.094 7.048 -2.354 9 HD3 PRO 26 HD1 PRO 26 16.959 8.011 -3.836 10 H ARG 27 HN ARG 27 11.823 8.501 -3.912 11 HA ARG 27 HA ARG 27 10.635 8.031 -1.322 12 HB2 ARG 27 HB2 ARG 27 11.165 10.473 -1.312 13 HB3 ARG 27 HB1 ARG 27 10.185 10.660 -2.758 14 HG2 ARG 27 HG2 ARG 27 8.219 9.874 -1.484 15 HG3 ARG 27 HG1 ARG 27 9.224 9.803 -0.035 16 HD2 ARG 27 HD2 ARG 27 7.955 11.885 -0.106 17 HD3 ARG 27 HD1 ARG 27 9.685 12.201 -0.238 18 HE ARG 27 HE ARG 27 8.105 12.034 -2.698 19 HH11 ARG 27 HH11 ARG 27 9.835 14.009 -0.378 20 HH12 ARG 27 HH12 ARG 27 9.970 15.369 -1.446 21 HH21 ARG 27 HH21 ARG 27 8.269 13.829 -4.103 22 HH22 ARG 27 HH22 ARG 27 9.069 15.270 -3.559 23 H GLN 28 HN GLN 28 9.442 6.392 -2.080 24 HA GLN 28 HA GLN 28 8.188 6.652 -4.709 25 HB2 GLN 28 HB2 GLN 28 7.870 4.103 -4.320 26 HB3 GLN 28 HB1 GLN 28 9.466 4.721 -4.731 27 HG2 GLN 28 HG2 GLN 28 10.102 4.674 -2.384 28 HG3 GLN 28 HG1 GLN 28 8.494 4.080 -1.954 29 HE21 GLN 28 HE21 GLN 28 7.923 1.970 -2.482 30 HE22 GLN 28 HE22 GLN 28 9.102 0.776 -2.888 31 H ILE 29 HN ILE 29 6.049 6.288 -5.053 32 HA ILE 29 HA ILE 29 4.344 6.509 -2.687 33 HB ILE 29 HB ILE 29 3.608 6.895 -5.591 34 HG12 ILE 29 HG12 ILE 29 4.220 8.949 -3.454 35 HG13 ILE 29 HG11 ILE 29 5.254 8.557 -4.820 36 HG21 ILE 29 HG21 ILE 29 2.124 7.525 -3.043 37 HG22 ILE 29 HG22 ILE 29 1.695 6.300 -4.239 38 HG23 ILE 29 HG23 ILE 29 1.611 8.011 -4.660 39 HD11 ILE 29 HD11 ILE 29 4.021 10.612 -5.201 40 HD12 ILE 29 HD12 ILE 29 2.501 9.746 -4.987 41 HD13 ILE 29 HD13 ILE 29 3.544 9.365 -6.353 42 H ALA 30 HN ALA 30 3.440 4.733 -1.936 43 HA ALA 30 HA ALA 30 3.216 2.379 -3.641 44 HB1 ALA 30 HB1 ALA 30 2.650 1.189 -1.579 45 HB2 ALA 30 HB2 ALA 30 2.653 2.712 -0.691 46 HB3 ALA 30 HB3 ALA 30 4.149 2.098 -1.395 47 H ARG 31 HN ARG 31 1.173 1.152 -3.659 48 HA ARG 31 HA ARG 31 -1.159 2.938 -3.466 49 HB2 ARG 31 HB2 ARG 31 -0.369 1.150 -5.753 50 HB3 ARG 31 HB1 ARG 31 -2.027 1.672 -5.514 51 HG2 ARG 31 HG2 ARG 31 -1.288 4.014 -5.700 52 HG3 ARG 31 HG1 ARG 31 0.353 3.441 -6.020 53 HD2 ARG 31 HD2 ARG 31 -0.418 2.257 -7.987 54 HD3 ARG 31 HD1 ARG 31 -2.077 2.739 -7.658 55 HE ARG 31 HE ARG 31 -1.173 5.096 -7.958 56 HH11 ARG 31 HH11 ARG 31 0.162 2.298 -9.589 57 HH12 ARG 31 HH12 ARG 31 0.655 3.191 -10.991 58 HH21 ARG 31 HH21 ARG 31 -0.532 6.274 -9.819 59 HH22 ARG 31 HH22 ARG 31 0.249 5.442 -11.127 60 H TYR 32 HN TYR 32 -2.153 2.045 -1.756 61 HA TYR 32 HA TYR 32 -2.572 -0.850 -1.753 62 HB2 TYR 32 HB2 TYR 32 -3.204 1.223 0.363 63 HB3 TYR 32 HB1 TYR 32 -3.439 -0.516 0.532 64 HD1 TYR 32 HD2 TYR 32 -1.416 -2.015 0.459 65 HD2 TYR 32 HD1 TYR 32 -1.115 2.212 0.796 66 HE1 TYR 32 HE2 TYR 32 0.888 -2.256 1.275 67 HE2 TYR 32 HE1 TYR 32 1.189 1.989 1.606 68 HH TYR 32 HH TYR 32 2.591 0.294 2.722 69 H ARG 33 HN ARG 33 -4.393 -1.633 -2.576 70 HA ARG 33 HA ARG 33 -6.636 0.238 -2.884 71 HB2 ARG 33 HB2 ARG 33 -5.773 -0.766 -4.968 72 HB3 ARG 33 HB1 ARG 33 -6.123 -2.366 -4.328 73 HG2 ARG 33 HG2 ARG 33 -8.500 -1.822 -4.252 74 HG3 ARG 33 HG1 ARG 33 -8.153 -0.208 -4.873 75 HD2 ARG 33 HD2 ARG 33 -8.942 -1.740 -6.627 76 HD3 ARG 33 HD1 ARG 33 -7.312 -1.146 -6.937 77 HE ARG 33 HE ARG 33 -6.963 -3.515 -5.610 78 HH11 ARG 33 HH11 ARG 33 -8.654 -2.552 -8.523 79 HH12 ARG 33 HH12 ARG 33 -8.361 -4.051 -9.340 80 HH21 ARG 33 HH21 ARG 33 -6.589 -5.490 -6.667 81 HH22 ARG 33 HH22 ARG 33 -7.202 -5.740 -8.270 82 H THR 34 HN THR 34 -8.299 0.012 -1.647 83 HA THR 34 HA THR 34 -8.573 -2.156 0.195 84 HB THR 34 HB THR 34 -10.623 -0.999 0.873 85 HG1 THR 34 HG1 THR 34 -9.906 0.954 -1.084 86 HG21 THR 34 HG21 THR 34 -8.571 -0.375 1.928 87 HG22 THR 34 HG22 THR 34 -9.447 1.115 1.576 88 HG23 THR 34 HG23 THR 34 -8.103 0.621 0.552 89 H ASP 35 HN ASP 35 -10.303 -3.685 0.266 90 HA ASP 35 HA ASP 35 -10.966 -4.744 -2.289 91 HB2 ASP 35 HB2 ASP 35 -10.679 -6.061 -0.122 92 HB3 ASP 35 HB1 ASP 35 -12.293 -5.506 0.317 93 H ASN 36 HN ASN 36 -12.332 -2.336 -0.368 94 HA ASN 36 HA ASN 36 -15.014 -2.383 -1.267 95 HB2 ASN 36 HB2 ASN 36 -14.245 -1.000 0.640 96 HB3 ASN 36 HB1 ASN 36 -13.297 -0.014 -0.466 97 HD21 ASN 36 HD21 ASN 36 -14.393 1.860 0.072 98 HD22 ASN 36 HD22 ASN 36 -16.016 2.164 -0.441 99 H GLY 37 HN GLY 37 -11.996 -1.408 -2.697 100 HA2 GLY 37 HA2 GLY 37 -11.941 -1.476 -5.137 101 HA3 GLY 37 HA1 GLY 37 -13.483 -0.640 -5.116 102 H GLU 38 HN GLU 38 -11.741 0.723 -2.707 103 HA GLU 38 HA GLU 38 -11.162 3.037 -4.372 104 HB2 GLU 38 HB2 GLU 38 -10.826 2.777 -1.383 105 HB3 GLU 38 HB1 GLU 38 -10.919 4.261 -2.319 106 HG2 GLU 38 HG2 GLU 38 -13.154 2.286 -1.917 107 HG3 GLU 38 HG1 GLU 38 -12.982 3.839 -1.101 108 H GLU 39 HN GLU 39 -9.151 3.691 -4.936 109 HA GLU 39 HA GLU 39 -6.888 2.100 -4.006 110 HB2 GLU 39 HB2 GLU 39 -5.618 3.107 -5.792 111 HB3 GLU 39 HB1 GLU 39 -7.156 2.563 -6.445 112 HG2 GLU 39 HG2 GLU 39 -8.009 4.827 -6.401 113 HG3 GLU 39 HG1 GLU 39 -6.513 5.398 -5.665 114 H PHE 40 HN PHE 40 -5.141 2.969 -2.908 115 HA PHE 40 HA PHE 40 -5.477 5.731 -1.935 116 HB2 PHE 40 HB2 PHE 40 -4.800 3.266 -0.332 117 HB3 PHE 40 HB1 PHE 40 -4.475 4.891 0.252 118 HD1 PHE 40 HD1 PHE 40 -7.200 2.617 -0.832 119 HD2 PHE 40 HD2 PHE 40 -6.151 6.158 1.285 120 HE1 PHE 40 HE1 PHE 40 -9.472 2.739 0.088 121 HE2 PHE 40 HE2 PHE 40 -8.431 6.283 2.205 122 HZ PHE 40 HZ PHE 40 -10.095 4.564 1.609 123 H GLU 41 HN GLU 41 -3.758 6.968 -2.237 124 HA GLU 41 HA GLU 41 -1.209 5.692 -2.897 125 HB2 GLU 41 HB2 GLU 41 -0.537 7.936 -3.722 126 HB3 GLU 41 HB1 GLU 41 -1.945 7.292 -4.548 127 HG2 GLU 41 HG2 GLU 41 -3.406 8.729 -3.264 128 HG3 GLU 41 HG1 GLU 41 -2.034 9.316 -2.324 129 H VAL 42 HN VAL 42 0.628 6.051 -1.750 130 HA VAL 42 HA VAL 42 0.617 7.841 0.523 131 HB VAL 42 HB VAL 42 1.594 5.877 1.941 132 HG11 VAL 42 HG11 VAL 42 -0.656 5.361 2.821 133 HG12 VAL 42 HG12 VAL 42 -1.366 6.182 1.430 134 HG13 VAL 42 HG13 VAL 42 -0.396 7.091 2.593 135 HG21 VAL 42 HG21 VAL 42 -0.151 4.407 -0.019 136 HG22 VAL 42 HG22 VAL 42 0.424 3.752 1.517 137 HG23 VAL 42 HG23 VAL 42 1.579 4.177 0.250 138 HA PRO 43 HA PRO 43 4.731 7.862 -1.366 139 HB2 PRO 43 HB2 PRO 43 4.854 10.482 -0.030 140 HB3 PRO 43 HB1 PRO 43 5.043 10.086 -1.743 141 HG2 PRO 43 HG2 PRO 43 2.858 11.358 -0.896 142 HG3 PRO 43 HG1 PRO 43 2.740 10.081 -2.131 143 HD2 PRO 43 HD2 PRO 43 2.248 9.862 0.832 144 HD3 PRO 43 HD1 PRO 43 1.211 9.342 -0.521 145 H PHE 44 HN PHE 44 5.864 6.439 -0.186 146 HA PHE 44 HA PHE 44 6.617 7.127 2.564 147 HB2 PHE 44 HB2 PHE 44 6.799 4.564 0.984 148 HB3 PHE 44 HB1 PHE 44 7.620 4.775 2.523 149 HD1 PHE 44 HD2 PHE 44 6.253 5.247 4.572 150 HD2 PHE 44 HD1 PHE 44 4.534 3.999 0.886 151 HE1 PHE 44 HE2 PHE 44 4.215 4.549 5.764 152 HE2 PHE 44 HE1 PHE 44 2.502 3.295 2.067 153 HZ PHE 44 HZ PHE 44 2.334 3.566 4.510 154 H ALA 45 HN ALA 45 8.846 6.827 3.206 155 HA ALA 45 HA ALA 45 10.743 7.839 1.303 156 HB1 ALA 45 HB1 ALA 45 10.831 8.509 3.652 157 HB2 ALA 45 HB2 ALA 45 12.325 7.708 3.171 158 HB3 ALA 45 HB3 ALA 45 11.128 6.836 4.124 159 H ASP 46 HN ASP 46 12.811 6.714 0.894 160 HA ASP 46 HA ASP 46 12.296 4.072 -0.068 161 HB2 ASP 46 HB2 ASP 46 13.742 5.654 -1.280 162 HB3 ASP 46 HB1 ASP 46 14.887 5.629 0.053 163 H ASP 47 HN ASP 47 13.273 5.298 2.874 164 HA ASP 47 HA ASP 47 15.048 3.215 3.709 165 HB2 ASP 47 HB2 ASP 47 13.537 5.214 5.387 166 HB3 ASP 47 HB1 ASP 47 14.885 4.226 5.928 167 H ALA 48 HN ALA 48 11.717 3.371 3.310 168 HA ALA 48 HA ALA 48 11.199 1.430 5.457 169 HB1 ALA 48 HB1 ALA 48 8.857 2.014 5.249 170 HB2 ALA 48 HB2 ALA 48 9.210 3.053 3.869 171 HB3 ALA 48 HB3 ALA 48 9.819 3.475 5.470 172 H GLU 49 HN GLU 49 10.049 -0.474 5.029 173 HA GLU 49 HA GLU 49 10.272 -1.433 2.276 174 HB2 GLU 49 HB2 GLU 49 9.662 -2.923 4.839 175 HB3 GLU 49 HB1 GLU 49 9.855 -3.667 3.256 176 HG2 GLU 49 HG2 GLU 49 12.169 -2.916 3.173 177 HG3 GLU 49 HG1 GLU 49 11.977 -2.132 4.739 178 H ILE 50 HN ILE 50 8.493 -2.254 1.133 179 HA ILE 50 HA ILE 50 5.944 -1.155 2.114 180 HB ILE 50 HB ILE 50 6.719 -1.718 -0.751 181 HG12 ILE 50 HG12 ILE 50 8.111 0.078 0.195 182 HG13 ILE 50 HG11 ILE 50 6.979 0.711 -0.995 183 HG21 ILE 50 HG21 ILE 50 4.756 -0.340 -1.286 184 HG22 ILE 50 HG22 ILE 50 4.388 -0.218 0.433 185 HG23 ILE 50 HG23 ILE 50 4.324 -1.785 -0.371 186 HD11 ILE 50 HD11 ILE 50 5.527 1.480 0.818 187 HD12 ILE 50 HD12 ILE 50 7.142 2.186 0.908 188 HD13 ILE 50 HD13 ILE 50 6.692 0.871 1.994 189 HA PRO 51 HA PRO 51 4.612 -5.473 1.975 190 HB2 PRO 51 HB2 PRO 51 2.663 -5.241 3.780 191 HB3 PRO 51 HB1 PRO 51 4.360 -5.228 4.273 192 HG2 PRO 51 HG2 PRO 51 2.456 -2.943 3.969 193 HG3 PRO 51 HG1 PRO 51 3.695 -3.215 5.207 194 HD2 PRO 51 HD2 PRO 51 3.982 -1.583 2.972 195 HD3 PRO 51 HD1 PRO 51 5.314 -2.241 3.940 196 H GLY 52 HN GLY 52 2.391 -6.459 1.626 197 HA2 GLY 52 HA2 GLY 52 0.950 -4.865 -0.364 198 HA3 GLY 52 HA1 GLY 52 0.792 -6.589 -0.109 199 H THR 53 HN THR 53 0.719 -5.070 2.847 200 HA THR 53 HA THR 53 -2.062 -4.252 2.626 201 HB THR 53 HB THR 53 -2.348 -5.368 4.994 202 HG1 THR 53 HG1 THR 53 -0.654 -6.583 5.404 203 HG21 THR 53 HG21 THR 53 -2.573 -6.887 2.396 204 HG22 THR 53 HG22 THR 53 -3.780 -5.794 3.073 205 HG23 THR 53 HG23 THR 53 -3.395 -7.305 3.898 206 H TRP 54 HN TRP 54 -2.635 -2.607 3.876 207 HA TRP 54 HA TRP 54 -0.987 -1.596 6.010 208 HB2 TRP 54 HB2 TRP 54 0.251 -0.966 3.921 209 HB3 TRP 54 HB1 TRP 54 -1.159 -0.046 3.417 210 HD1 TRP 54 HD1 TRP 54 -1.283 2.404 4.205 211 HE1 TRP 54 HE1 TRP 54 0.130 3.882 5.762 212 HE3 TRP 54 HE3 TRP 54 1.713 -1.208 6.225 213 HZ2 TRP 54 HZ2 TRP 54 2.249 3.550 7.618 214 HZ3 TRP 54 HZ3 TRP 54 3.409 -0.549 7.880 215 HH2 TRP 54 HH2 TRP 54 3.671 1.781 8.562 216 H LEU 55 HN LEU 55 -2.218 -0.390 7.336 217 HA LEU 55 HA LEU 55 -4.988 -0.244 7.014 218 HB2 LEU 55 HB2 LEU 55 -3.864 -0.180 9.187 219 HB3 LEU 55 HB1 LEU 55 -3.191 1.392 8.806 220 HG LEU 55 HG LEU 55 -5.509 2.305 8.708 221 HD11 LEU 55 HD11 LEU 55 -6.235 -0.420 9.774 222 HD12 LEU 55 HD12 LEU 55 -6.709 0.262 8.217 223 HD13 LEU 55 HD13 LEU 55 -7.313 0.975 9.712 224 HD21 LEU 55 HD21 LEU 55 -4.731 0.982 11.302 225 HD22 LEU 55 HD22 LEU 55 -5.822 2.356 11.120 226 HD23 LEU 55 HD23 LEU 55 -4.116 2.522 10.706 227 H CYS 56 HN CYS 56 -6.318 1.190 6.065 228 HA CYS 56 HA CYS 56 -5.064 3.586 4.917 229 HB2 CYS 56 HB2 CYS 56 -7.437 2.027 3.870 230 HB3 CYS 56 HB1 CYS 56 -6.719 3.446 3.116 231 HG CYS 56 HG CYS 56 -4.505 1.010 3.639 232 H ARG 57 HN ARG 57 -6.919 5.246 4.363 233 HA ARG 57 HA ARG 57 -7.762 6.157 6.919 234 HB2 ARG 57 HB2 ARG 57 -8.564 7.285 4.236 235 HB3 ARG 57 HB1 ARG 57 -8.526 8.127 5.778 236 HG2 ARG 57 HG2 ARG 57 -6.122 7.061 4.309 237 HG3 ARG 57 HG1 ARG 57 -6.646 8.744 4.344 238 HD2 ARG 57 HD2 ARG 57 -5.971 7.181 6.829 239 HD3 ARG 57 HD1 ARG 57 -4.781 8.124 5.937 240 HE ARG 57 HE ARG 57 -6.703 9.940 6.373 241 HH11 ARG 57 HH11 ARG 57 -5.198 7.637 8.544 242 HH12 ARG 57 HH12 ARG 57 -5.315 8.677 9.927 243 HH21 ARG 57 HH21 ARG 57 -6.807 11.332 8.191 244 HH22 ARG 57 HH22 ARG 57 -6.197 10.786 9.722 245 H ASN 58 HN ASN 58 -9.160 3.909 4.948 246 HA ASN 58 HA ASN 58 -11.905 4.615 5.682 247 HB2 ASN 58 HB2 ASN 58 -12.606 2.833 4.164 248 HB3 ASN 58 HB1 ASN 58 -11.518 3.943 3.339 249 HD21 ASN 58 HD21 ASN 58 -12.195 1.180 2.716 250 HD22 ASN 58 HD22 ASN 58 -10.685 0.326 2.673 251 H GLY 59 HN GLY 59 -9.319 2.856 6.896 252 HA2 GLY 59 HA2 GLY 59 -9.389 1.782 8.989 253 HA3 GLY 59 HA1 GLY 59 -11.130 1.596 8.812 254 H MET 60 HN MET 60 -9.435 0.756 6.040 255 HA MET 60 HA MET 60 -9.463 -2.100 6.768 256 HB2 MET 60 HB2 MET 60 -11.204 -1.655 5.144 257 HB3 MET 60 HB1 MET 60 -10.087 -0.761 4.128 258 HG2 MET 60 HG2 MET 60 -8.812 -2.873 3.782 259 HG3 MET 60 HG1 MET 60 -10.075 -3.719 4.671 260 HE1 MET 60 HE1 MET 60 -12.559 -3.998 3.832 261 HE2 MET 60 HE2 MET 60 -13.189 -3.272 2.352 262 HE3 MET 60 HE3 MET 60 -12.731 -2.244 3.710 263 H GLU 61 HN GLU 61 -7.629 -3.277 6.262 264 HA GLU 61 HA GLU 61 -5.286 -1.802 5.517 265 HB2 GLU 61 HB2 GLU 61 -5.740 -4.749 5.993 266 HB3 GLU 61 HB1 GLU 61 -4.176 -4.065 5.571 267 HG2 GLU 61 HG2 GLU 61 -4.338 -2.627 7.601 268 HG3 GLU 61 HG1 GLU 61 -5.798 -3.509 8.045 269 H GLY 62 HN GLY 62 -5.333 -1.054 3.506 270 HA2 GLY 62 HA2 GLY 62 -6.485 -2.438 1.306 271 HA3 GLY 62 HA1 GLY 62 -5.491 -0.991 1.216 272 H THR 63 HN THR 63 -5.414 -3.191 -0.571 273 HA THR 63 HA THR 63 -2.849 -4.473 0.077 274 HB THR 63 HB THR 63 -5.002 -5.259 -1.866 275 HG1 THR 63 HG1 THR 63 -4.282 -6.048 0.722 276 HG21 THR 63 HG21 THR 63 -2.414 -6.658 -1.218 277 HG22 THR 63 HG22 THR 63 -2.813 -5.868 -2.743 278 HG23 THR 63 HG23 THR 63 -3.702 -7.304 -2.236 279 H LEU 64 HN LEU 64 -1.133 -3.601 -0.841 280 HA LEU 64 HA LEU 64 -1.155 -1.998 -3.157 281 HB2 LEU 64 HB2 LEU 64 0.723 -1.702 -1.817 282 HB3 LEU 64 HB1 LEU 64 0.983 -3.430 -1.626 283 HG LEU 64 HG LEU 64 1.606 -3.446 -4.105 284 HD11 LEU 64 HD11 LEU 64 2.347 -1.316 -5.006 285 HD12 LEU 64 HD12 LEU 64 1.786 -0.506 -3.543 286 HD13 LEU 64 HD13 LEU 64 0.625 -1.283 -4.616 287 HD21 LEU 64 HD21 LEU 64 3.228 -3.643 -2.253 288 HD22 LEU 64 HD22 LEU 64 3.359 -1.885 -2.212 289 HD23 LEU 64 HD23 LEU 64 3.883 -2.775 -3.640 290 H ILE 65 HN ILE 65 -1.083 -2.516 -5.245 291 HA ILE 65 HA ILE 65 -1.808 -5.159 -5.973 292 HB ILE 65 HB ILE 65 -1.041 -2.879 -7.785 293 HG12 ILE 65 HG12 ILE 65 -3.612 -2.836 -8.136 294 HG13 ILE 65 HG11 ILE 65 -3.694 -3.719 -6.620 295 HG21 ILE 65 HG21 ILE 65 -2.513 -5.437 -8.376 296 HG22 ILE 65 HG22 ILE 65 -0.873 -5.035 -8.886 297 HG23 ILE 65 HG23 ILE 65 -2.244 -4.121 -9.519 298 HD11 ILE 65 HD11 ILE 65 -2.803 -1.887 -5.411 299 HD12 ILE 65 HD12 ILE 65 -4.050 -1.241 -6.473 300 HD13 ILE 65 HD13 ILE 65 -2.347 -1.045 -6.890 301 H GLU 66 HN GLU 66 -0.429 -6.667 -5.914 302 HA GLU 66 HA GLU 66 1.387 -7.978 -6.087 303 HB2 GLU 66 HB2 GLU 66 2.162 -5.977 -8.203 304 HB3 GLU 66 HB1 GLU 66 3.010 -7.485 -7.904 305 HG2 GLU 66 HG2 GLU 66 0.186 -7.137 -8.871 306 HG3 GLU 66 HG1 GLU 66 1.555 -7.805 -9.760 307 H GLY 67 HN GLY 67 2.126 -7.642 -4.034 308 HA2 GLY 67 HA2 GLY 67 4.517 -5.954 -3.827 309 HA3 GLY 67 HA1 GLY 67 3.238 -5.756 -2.637 310 H ASP 68 HN ASP 68 4.720 -6.379 -0.971 311 HA ASP 68 HA ASP 68 5.593 -9.183 -1.063 312 HB2 ASP 68 HB2 ASP 68 7.309 -7.408 -0.627 313 HB3 ASP 68 HB1 ASP 68 6.459 -7.013 0.863 314 H LEU 69 HN LEU 69 5.027 -10.634 0.535 315 HA LEU 69 HA LEU 69 2.549 -10.036 1.900 316 HB2 LEU 69 HB2 LEU 69 4.198 -12.561 1.810 317 HB3 LEU 69 HB1 LEU 69 2.619 -12.422 2.558 318 HG LEU 69 HG LEU 69 3.208 -12.073 -0.382 319 HD11 LEU 69 HD11 LEU 69 1.924 -14.157 -0.615 320 HD12 LEU 69 HD12 LEU 69 1.875 -14.303 1.141 321 HD13 LEU 69 HD13 LEU 69 3.418 -14.374 0.294 322 HD21 LEU 69 HD21 LEU 69 0.593 -12.022 1.128 323 HD22 LEU 69 HD22 LEU 69 0.760 -12.033 -0.629 324 HD23 LEU 69 HD23 LEU 69 1.358 -10.662 0.305 325 HA PRO 70 HA PRO 70 4.206 -9.041 5.904 326 HB2 PRO 70 HB2 PRO 70 1.900 -10.594 6.950 327 HB3 PRO 70 HB1 PRO 70 2.378 -8.926 7.281 328 HG2 PRO 70 HG2 PRO 70 0.289 -9.449 5.719 329 HG3 PRO 70 HG1 PRO 70 1.400 -8.118 5.342 330 HD2 PRO 70 HD2 PRO 70 1.209 -10.837 4.104 331 HD3 PRO 70 HD1 PRO 70 1.508 -9.263 3.336 332 H GLU 71 HN GLU 71 5.805 -10.039 6.953 333 HA GLU 71 HA GLU 71 5.550 -12.910 7.514 334 HB2 GLU 71 HB2 GLU 71 7.082 -12.588 5.611 335 HB3 GLU 71 HB1 GLU 71 8.065 -11.508 6.589 336 HG2 GLU 71 HG2 GLU 71 9.093 -13.683 6.475 337 HG3 GLU 71 HG1 GLU 71 8.554 -13.359 8.121
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