NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22128 | 2jm8 | 7305 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -14.274 -7.744 -1.705 2 2H MET 1 2H MET 1 -14.579 -9.308 -1.125 3 3H MET 1 3H MET 1 -15.692 -8.064 -0.834 4 HA MET 1 HA MET 1 -16.388 -9.608 -2.603 5 1HB MET 1 2HB MET 1 -17.070 -7.855 -4.169 6 1HG MET 1 2HG MET 1 -15.073 -6.109 -2.748 7 1HE MET 1 1HE MET 1 -16.772 -5.775 -6.287 8 2HE MET 1 2HE MET 1 -18.075 -6.393 -5.271 9 3HE MET 1 3HE MET 1 -18.159 -4.750 -5.905 10 H ASP 2 H ASP 2 -13.363 -9.636 -2.445 11 HA ASP 2 HA ASP 2 -12.628 -10.582 -4.963 12 1HB ASP 2 2HB ASP 2 -11.226 -8.706 -5.790 13 H GLU 3 H GLU 3 -11.567 -8.706 -2.170 14 HA GLU 3 HA GLU 3 -9.848 -10.883 -1.376 15 1HB GLU 3 2HB GLU 3 -8.597 -8.914 -2.865 16 1HG GLU 3 2HG GLU 3 -7.598 -11.078 -2.184 17 H THR 4 H THR 4 -8.722 -10.051 0.814 18 HA THR 4 HA THR 4 -10.924 -9.296 2.499 19 HB THR 4 HB THR 4 -8.165 -9.432 3.631 20 HG1 THR 4 1HG THR 4 -8.318 -11.152 1.994 21 1HG2 THR 4 1HG2 THR 4 -9.355 -10.709 5.359 22 2HG2 THR 4 2HG2 THR 4 -10.838 -10.613 4.410 23 3HG2 THR 4 3HG2 THR 4 -10.114 -9.145 5.070 24 H GLY 5 H GLY 5 -11.116 -7.102 1.395 25 1HA GLY 5 1HA GLY 5 -11.059 -4.949 2.688 26 2HA GLY 5 2HA GLY 5 -9.316 -5.178 2.734 27 H LYS 6 H LYS 6 -10.943 -2.992 1.595 28 HA LYS 6 HA LYS 6 -9.635 -2.989 -1.002 29 1HB LYS 6 2HB LYS 6 -11.977 -3.517 -1.429 30 1HG LYS 6 2HG LYS 6 -12.460 -1.935 -3.060 31 1HD LYS 6 2HD LYS 6 -10.371 -1.435 -4.181 32 1HE LYS 6 2HE LYS 6 -9.387 -3.708 -4.176 33 1HZ LYS 6 1HZ LYS 6 -11.311 -3.436 -5.529 34 2HZ LYS 6 2HZ LYS 6 -12.353 -3.606 -4.201 35 3HZ LYS 6 3HZ LYS 6 -11.435 -4.932 -4.735 36 H GLU 7 H GLU 7 -11.784 -0.528 0.106 37 HA GLU 7 HA GLU 7 -11.518 1.550 0.959 38 1HB GLU 7 2HB GLU 7 -9.080 0.192 1.990 39 1HG GLU 7 2HG GLU 7 -11.057 1.932 3.432 40 H LEU 8 H LEU 8 -8.813 0.461 -1.023 41 HA LEU 8 HA LEU 8 -7.555 1.426 -2.626 42 1HB LEU 8 2HB LEU 8 -9.768 3.472 -2.642 43 HG LEU 8 HG LEU 8 -10.429 1.203 -3.455 44 1HD1 LEU 8 1HD1 LEU 8 -11.551 3.188 -4.275 45 2HD1 LEU 8 2HD1 LEU 8 -10.305 3.413 -5.504 46 3HD1 LEU 8 3HD1 LEU 8 -11.374 2.012 -5.577 47 1HD2 LEU 8 1HD2 LEU 8 -8.306 1.745 -5.533 48 2HD2 LEU 8 2HD2 LEU 8 -8.308 0.437 -4.351 49 3HD2 LEU 8 3HD2 LEU 8 -9.518 0.469 -5.633 50 H VAL 9 H VAL 9 -5.659 2.326 -2.349 51 HA VAL 9 HA VAL 9 -5.519 4.902 -0.947 52 HB VAL 9 HB VAL 9 -3.139 4.137 -0.244 53 1HG1 VAL 9 1HG1 VAL 9 -4.848 4.691 1.352 54 2HG1 VAL 9 2HG1 VAL 9 -5.632 3.128 1.111 55 3HG1 VAL 9 3HG1 VAL 9 -4.039 3.210 1.865 56 1HG2 VAL 9 1HG2 VAL 9 -2.992 1.736 0.289 57 2HG2 VAL 9 2HG2 VAL 9 -4.508 1.468 -0.573 58 3HG2 VAL 9 3HG2 VAL 9 -3.086 2.032 -1.448 59 H LEU 10 H LEU 10 -3.889 6.288 -1.574 60 HA LEU 10 HA LEU 10 -2.952 5.804 -4.314 61 1HB LEU 10 2HB LEU 10 -4.271 7.676 -4.421 62 HG LEU 10 HG LEU 10 -1.553 8.754 -3.792 63 1HD1 LEU 10 1HD1 LEU 10 -1.756 7.502 -5.851 64 2HD1 LEU 10 2HD1 LEU 10 -3.131 8.493 -6.337 65 3HD1 LEU 10 3HD1 LEU 10 -1.530 9.217 -6.195 66 1HD2 LEU 10 1HD2 LEU 10 -2.340 10.918 -4.657 67 2HD2 LEU 10 2HD2 LEU 10 -3.990 10.295 -4.662 68 3HD2 LEU 10 3HD2 LEU 10 -3.117 10.474 -3.139 69 H ALA 11 H ALA 11 -0.855 5.377 -4.531 70 HA ALA 11 HA ALA 11 1.038 5.682 -2.445 71 1HB ALA 11 1HB ALA 11 2.676 4.941 -4.077 72 2HB ALA 11 2HB ALA 11 1.216 3.961 -4.213 73 3HB ALA 11 3HB ALA 11 1.539 5.233 -5.392 74 H LEU 12 H LEU 12 1.868 7.559 -1.776 75 HA LEU 12 HA LEU 12 1.805 9.897 -3.502 76 1HB LEU 12 2HB LEU 12 2.940 9.682 -0.711 77 HG LEU 12 HG LEU 12 0.515 9.064 -0.684 78 1HD1 LEU 12 1HD1 LEU 12 1.296 11.698 0.559 79 2HD1 LEU 12 2HD1 LEU 12 -0.068 10.699 1.056 80 3HD1 LEU 12 3HD1 LEU 12 1.580 10.094 1.235 81 1HD2 LEU 12 1HD2 LEU 12 -1.122 10.813 -1.181 82 2HD2 LEU 12 2HD2 LEU 12 0.172 11.873 -1.741 83 3HD2 LEU 12 3HD2 LEU 12 -0.192 10.387 -2.618 84 H TYR 13 H TYR 13 4.174 7.821 -1.941 85 HA TYR 13 HA TYR 13 6.292 9.172 -3.477 86 1HB TYR 13 2HB TYR 13 6.798 7.575 -0.967 87 HD1 TYR 13 1HD TYR 13 6.651 8.360 1.212 88 HD2 TYR 13 2HD TYR 13 5.785 11.025 -1.984 89 HE1 TYR 13 1HE TYR 13 5.834 10.017 2.825 90 HE2 TYR 13 2HE TYR 13 4.971 12.694 -0.381 91 HH TYR 13 HH TYR 13 5.593 12.581 2.874 92 H ASP 14 H ASP 14 8.010 7.734 -4.263 93 HA ASP 14 HA ASP 14 6.898 5.169 -5.016 94 1HB ASP 14 2HB ASP 14 8.937 4.976 -6.443 95 H TYR 15 H TYR 15 7.598 3.219 -4.305 96 HA TYR 15 HA TYR 15 9.506 3.327 -2.065 97 1HB TYR 15 2HB TYR 15 7.111 3.394 -1.317 98 HD1 TYR 15 1HD TYR 15 9.037 3.551 0.433 99 HD2 TYR 15 2HD TYR 15 7.193 -0.087 -0.765 100 HE1 TYR 15 1HE TYR 15 9.762 2.504 2.522 101 HE2 TYR 15 2HE TYR 15 7.933 -1.155 1.317 102 HH TYR 15 HH TYR 15 9.637 -0.878 3.039 103 H GLN 16 H GLN 16 11.055 1.901 -2.237 104 HA GLN 16 HA GLN 16 10.622 -0.523 -3.825 105 1HB GLN 16 2HB GLN 16 12.556 0.799 -4.500 106 1HG GLN 16 2HG GLN 16 14.337 -0.766 -4.388 107 1HE2 GLN 16 1HE2 GLN 16 11.882 -2.943 -3.249 108 2HE2 GLN 16 2HE2 GLN 16 11.407 -3.541 -4.808 109 H GLU 17 H GLU 17 9.935 -2.174 -2.670 110 HA GLU 17 HA GLU 17 9.960 -2.529 0.049 111 1HB GLU 17 2HB GLU 17 9.568 -4.896 -0.371 112 1HG GLU 17 2HG GLU 17 10.527 -4.329 -3.158 113 H LYS 18 H LYS 18 11.472 -2.858 1.520 114 HA LYS 18 HA LYS 18 14.176 -3.516 0.635 115 1HB LYS 18 2HB LYS 18 14.994 -2.470 2.497 116 1HG LYS 18 2HG LYS 18 12.612 -3.461 4.011 117 1HD LYS 18 2HD LYS 18 14.878 -1.801 5.082 118 1HE LYS 18 2HE LYS 18 13.788 -3.417 6.623 119 1HZ LYS 18 1HZ LYS 18 11.558 -3.197 7.235 120 2HZ LYS 18 2HZ LYS 18 11.517 -3.141 5.538 121 3HZ LYS 18 3HZ LYS 18 11.385 -1.712 6.445 122 H SER 19 H SER 19 11.499 -5.113 1.766 123 HA SER 19 HA SER 19 13.081 -7.512 2.230 124 1HB SER 19 2HB SER 19 11.835 -8.071 4.285 125 HG SER 19 HG SER 19 10.754 -5.445 4.221 126 HA PRO 20 HA PRO 20 9.986 -9.372 -0.341 127 1HB PRO 20 2HB PRO 20 9.608 -11.787 0.960 128 1HG PRO 20 2HG PRO 20 10.965 -11.395 2.789 129 1HD PRO 20 2HD PRO 20 12.492 -9.640 2.848 130 H ALA 21 H ALA 21 9.373 -8.832 3.004 131 HA ALA 21 HA ALA 21 6.580 -9.595 2.871 132 1HB ALA 21 1HB ALA 21 6.461 -8.778 5.175 133 2HB ALA 21 2HB ALA 21 7.804 -9.900 4.961 134 3HB ALA 21 3HB ALA 21 8.108 -8.166 5.047 135 H GLU 22 H GLU 22 8.422 -6.978 1.943 136 HA GLU 22 HA GLU 22 6.256 -5.027 2.230 137 1HB GLU 22 2HB GLU 22 9.149 -4.802 1.397 138 1HG GLU 22 2HG GLU 22 7.783 -3.304 3.581 139 H VAL 23 H VAL 23 6.053 -3.566 0.171 140 HA VAL 23 HA VAL 23 6.290 -5.260 -2.225 141 HB VAL 23 HB VAL 23 4.122 -5.127 -2.757 142 1HG1 VAL 23 1HG1 VAL 23 3.797 -3.870 -0.045 143 2HG1 VAL 23 2HG1 VAL 23 2.520 -4.633 -0.992 144 3HG1 VAL 23 3HG1 VAL 23 3.871 -5.597 -0.394 145 1HG2 VAL 23 1HG2 VAL 23 2.808 -3.013 -2.688 146 2HG2 VAL 23 2HG2 VAL 23 4.237 -2.209 -2.044 147 3HG2 VAL 23 3HG2 VAL 23 4.282 -2.933 -3.652 148 H THR 24 H THR 24 6.836 -4.285 -4.102 149 HA THR 24 HA THR 24 7.972 -1.628 -3.982 150 HB THR 24 HB THR 24 7.732 -3.455 -6.385 151 HG1 THR 24 1HG THR 24 8.915 -4.349 -4.523 152 1HG2 THR 24 1HG2 THR 24 8.235 -1.114 -6.922 153 2HG2 THR 24 2HG2 THR 24 9.616 -2.158 -7.256 154 3HG2 THR 24 3HG2 THR 24 9.601 -1.152 -5.807 155 H MET 25 H MET 25 6.817 0.145 -4.410 156 HA MET 25 HA MET 25 4.592 -0.044 -6.315 157 1HB MET 25 2HB MET 25 3.120 1.223 -4.918 158 1HG MET 25 2HG MET 25 5.347 1.428 -2.901 159 1HE MET 25 1HE MET 25 4.249 4.265 -1.804 160 2HE MET 25 2HE MET 25 3.417 3.720 -0.349 161 3HE MET 25 3HE MET 25 4.982 3.030 -0.781 162 H LYS 26 H LYS 26 4.312 1.733 -7.610 163 HA LYS 26 HA LYS 26 6.285 3.870 -7.257 164 1HB LYS 26 2HB LYS 26 4.943 2.732 -9.676 165 1HG LYS 26 2HG LYS 26 7.281 2.059 -8.985 166 1HD LYS 26 2HD LYS 26 7.858 4.872 -9.919 167 1HE LYS 26 2HE LYS 26 9.484 3.275 -10.803 168 1HZ LYS 26 1HZ LYS 26 9.859 2.528 -7.954 169 2HZ LYS 26 2HZ LYS 26 10.954 2.141 -9.187 170 3HZ LYS 26 3HZ LYS 26 9.381 1.508 -9.223 171 H LYS 27 H LYS 27 5.657 5.904 -6.908 172 HA LYS 27 HA LYS 27 3.115 6.442 -5.941 173 1HB LYS 27 2HB LYS 27 3.758 8.661 -5.649 174 1HG LYS 27 2HG LYS 27 4.395 9.038 -8.085 175 1HD LYS 27 2HD LYS 27 6.962 7.978 -6.974 176 1HE LYS 27 2HE LYS 27 6.826 9.732 -9.399 177 1HZ LYS 27 1HZ LYS 27 9.229 9.820 -9.032 178 2HZ LYS 27 2HZ LYS 27 8.690 8.232 -9.282 179 3HZ LYS 27 3HZ LYS 27 9.072 8.759 -7.712 180 H GLY 28 H GLY 28 1.406 7.658 -6.696 181 1HA GLY 28 1HA GLY 28 0.149 8.698 -8.437 182 2HA GLY 28 2HA GLY 28 1.247 7.990 -9.615 183 H ASP 29 H ASP 29 1.135 5.364 -8.234 184 HA ASP 29 HA ASP 29 -1.121 4.320 -9.665 185 1HB ASP 29 2HB ASP 29 1.020 3.087 -7.957 186 H ILE 30 H ILE 30 -2.944 3.321 -8.866 187 HA ILE 30 HA ILE 30 -3.677 4.005 -6.109 188 HB ILE 30 HB ILE 30 -5.449 2.863 -8.276 189 1HG1 ILE 30 2HG1 ILE 30 -4.611 4.993 -9.069 190 1HG2 ILE 30 1HG2 ILE 30 -6.093 4.241 -5.674 191 2HG2 ILE 30 2HG2 ILE 30 -7.276 3.745 -6.881 192 3HG2 ILE 30 3HG2 ILE 30 -6.313 2.531 -6.041 193 1HD1 ILE 30 1HD1 ILE 30 -4.950 7.076 -7.880 194 2HD1 ILE 30 2HD1 ILE 30 -5.545 6.186 -6.477 195 3HD1 ILE 30 3HD1 ILE 30 -3.868 6.004 -6.990 196 H LEU 31 H LEU 31 -3.512 2.479 -4.587 197 HA LEU 31 HA LEU 31 -3.234 -0.323 -5.463 198 1HB LEU 31 2HB LEU 31 -2.549 0.450 -2.686 199 HG LEU 31 HG LEU 31 -1.339 2.255 -3.678 200 1HD1 LEU 31 1HD1 LEU 31 0.436 -0.136 -3.267 201 2HD1 LEU 31 2HD1 LEU 31 0.948 1.553 -3.193 202 3HD1 LEU 31 3HD1 LEU 31 -0.194 0.923 -2.003 203 1HD2 LEU 31 1HD2 LEU 31 -0.200 0.268 -5.639 204 2HD2 LEU 31 2HD2 LEU 31 -1.402 1.499 -6.026 205 3HD2 LEU 31 3HD2 LEU 31 0.218 1.977 -5.513 206 H THR 32 H THR 32 -4.155 -1.968 -4.034 207 HA THR 32 HA THR 32 -6.677 -1.121 -2.849 208 HB THR 32 HB THR 32 -5.524 -3.886 -3.293 209 HG1 THR 32 1HG THR 32 -6.510 -3.773 -5.172 210 1HG2 THR 32 1HG2 THR 32 -8.333 -3.140 -2.440 211 2HG2 THR 32 2HG2 THR 32 -7.078 -3.732 -1.339 212 3HG2 THR 32 3HG2 THR 32 -7.667 -4.766 -2.642 213 H LEU 33 H LEU 33 -7.014 -0.972 -0.717 214 HA LEU 33 HA LEU 33 -4.755 -1.364 1.043 215 1HB LEU 33 2HB LEU 33 -6.776 0.533 0.904 216 HG LEU 33 HG LEU 33 -4.762 1.224 1.868 217 1HD1 LEU 33 1HD1 LEU 33 -5.449 2.190 4.003 218 2HD1 LEU 33 2HD1 LEU 33 -6.709 2.340 2.777 219 3HD1 LEU 33 3HD1 LEU 33 -6.844 1.112 4.036 220 1HD2 LEU 33 1HD2 LEU 33 -3.938 -0.878 2.717 221 2HD2 LEU 33 2HD2 LEU 33 -3.903 0.333 4.000 222 3HD2 LEU 33 3HD2 LEU 33 -5.175 -0.890 3.975 223 H LEU 34 H LEU 34 -4.524 -3.181 2.088 224 HA LEU 34 HA LEU 34 -6.786 -5.005 2.406 225 1HB LEU 34 2HB LEU 34 -3.805 -5.397 2.594 226 HG LEU 34 HG LEU 34 -4.581 -5.090 0.276 227 1HD1 LEU 34 1HD1 LEU 34 -2.711 -6.591 0.803 228 2HD1 LEU 34 2HD1 LEU 34 -3.844 -7.939 0.898 229 3HD1 LEU 34 3HD1 LEU 34 -3.602 -7.096 -0.632 230 1HD2 LEU 34 1HD2 LEU 34 -6.344 -7.467 0.855 231 2HD2 LEU 34 2HD2 LEU 34 -6.878 -5.830 0.475 232 3HD2 LEU 34 3HD2 LEU 34 -6.038 -6.791 -0.746 233 H ASN 35 H ASN 35 -4.525 -3.099 4.205 234 HA ASN 35 HA ASN 35 -6.002 -3.579 6.633 235 1HB ASN 35 2HB ASN 35 -4.596 -5.297 7.183 236 1HD2 ASN 35 1HD2 ASN 35 -1.946 -3.007 7.033 237 2HD2 ASN 35 2HD2 ASN 35 -1.773 -2.841 8.745 238 H SER 36 H SER 36 -6.301 -1.643 7.485 239 HA SER 36 HA SER 36 -4.028 0.222 7.504 240 1HB SER 36 2HB SER 36 -5.782 2.056 7.461 241 HG SER 36 HG SER 36 -7.697 0.940 6.160 242 H THR 37 H THR 37 -5.496 -1.821 9.353 243 HA THR 37 HA THR 37 -6.221 -0.094 11.570 244 HB THR 37 HB THR 37 -7.589 -2.113 11.011 245 HG1 THR 37 1HG THR 37 -7.228 -1.130 13.244 246 1HG2 THR 37 1HG2 THR 37 -6.770 -4.325 11.663 247 2HG2 THR 37 2HG2 THR 37 -5.203 -3.630 12.080 248 3HG2 THR 37 3HG2 THR 37 -5.749 -3.626 10.403 249 H ASN 38 H ASN 38 -3.434 -1.399 10.338 250 HA ASN 38 HA ASN 38 -2.125 -1.752 12.915 251 1HB ASN 38 2HB ASN 38 -1.564 -3.243 10.945 252 1HD2 ASN 38 1HD2 ASN 38 1.137 -2.937 10.124 253 2HD2 ASN 38 2HD2 ASN 38 2.127 -3.025 11.547 254 H LYS 39 H LYS 39 -0.646 -0.350 13.752 255 HA LYS 39 HA LYS 39 -1.040 2.385 13.071 256 1HB LYS 39 2HB LYS 39 0.310 2.919 14.980 257 1HG LYS 39 2HG LYS 39 1.146 0.033 15.229 258 1HD LYS 39 2HD LYS 39 2.133 2.488 16.640 259 1HE LYS 39 2HE LYS 39 3.328 0.954 18.032 260 1HZ LYS 39 1HZ LYS 39 4.368 1.493 15.868 261 2HZ LYS 39 2HZ LYS 39 3.745 0.047 15.234 262 3HZ LYS 39 3HZ LYS 39 4.873 0.003 16.501 263 H ASP 40 H ASP 40 1.318 0.086 12.057 264 HA ASP 40 HA ASP 40 3.056 2.273 11.203 265 1HB ASP 40 2HB ASP 40 4.932 0.517 11.508 266 H TRP 41 H TRP 41 2.750 -1.212 10.523 267 HA TRP 41 HA TRP 41 3.325 -0.608 7.724 268 1HB TRP 41 2HB TRP 41 3.358 -3.169 9.315 269 HD1 TRP 41 HD TRP 41 5.424 -2.508 10.782 270 HE1 TRP 41 1HE TRP 41 7.887 -1.997 10.251 271 HE3 TRP 41 3HE TRP 41 5.076 -2.022 5.705 272 HZ2 TRP 41 2HZ TRP 41 9.469 -1.451 7.982 273 HZ3 TRP 41 3HZ TRP 41 7.122 -1.505 4.435 274 HH2 TRP 41 HH TRP 41 9.266 -1.225 5.552 275 H TRP 42 H TRP 42 1.670 -0.279 6.446 276 HA TRP 42 HA TRP 42 -0.878 -1.594 6.955 277 1HB TRP 42 2HB TRP 42 0.010 0.528 5.011 278 HD1 TRP 42 HD TRP 42 -0.774 0.165 8.455 279 HE1 TRP 42 1HE TRP 42 -1.959 2.233 9.423 280 HE3 TRP 42 3HE TRP 42 -2.235 2.278 4.095 281 HZ2 TRP 42 2HZ TRP 42 -3.353 4.497 8.422 282 HZ3 TRP 42 3HZ TRP 42 -3.492 4.409 4.151 283 HH2 TRP 42 HH TRP 42 -4.040 5.494 6.284 284 H LYS 43 H LYS 43 -1.966 -2.698 5.141 285 HA LYS 43 HA LYS 43 0.005 -4.252 3.594 286 1HB LYS 43 2HB LYS 43 -1.551 -5.380 5.397 287 1HG LYS 43 2HG LYS 43 -1.409 -6.569 2.640 288 1HD LYS 43 2HD LYS 43 -1.544 -7.867 5.364 289 1HE LYS 43 2HE LYS 43 -2.030 -9.915 4.018 290 1HZ LYS 43 1HZ LYS 43 0.174 -9.634 4.889 291 2HZ LYS 43 2HZ LYS 43 0.622 -8.668 3.572 292 3HZ LYS 43 3HZ LYS 43 0.273 -10.304 3.334 293 H VAL 44 H VAL 44 -0.122 -4.059 1.448 294 HA VAL 44 HA VAL 44 -2.643 -3.139 0.265 295 HB VAL 44 HB VAL 44 -1.431 -1.573 -1.226 296 1HG1 VAL 44 1HG1 VAL 44 -1.143 0.220 0.392 297 2HG1 VAL 44 2HG1 VAL 44 -2.567 -0.744 0.780 298 3HG1 VAL 44 3HG1 VAL 44 -1.081 -0.956 1.705 299 1HG2 VAL 44 1HG2 VAL 44 0.785 -2.544 -1.110 300 2HG2 VAL 44 2HG2 VAL 44 0.842 -0.855 -0.611 301 3HG2 VAL 44 3HG2 VAL 44 0.904 -2.134 0.601 302 H GLU 45 H GLU 45 -2.891 -3.660 -1.937 303 HA GLU 45 HA GLU 45 -1.019 -5.727 -2.878 304 1HB GLU 45 2HB GLU 45 -3.351 -6.492 -2.464 305 1HG GLU 45 2HG GLU 45 -2.467 -6.496 -5.344 306 H VAL 46 H VAL 46 0.196 -5.192 -4.518 307 HA VAL 46 HA VAL 46 -0.786 -3.273 -6.518 308 HB VAL 46 HB VAL 46 2.106 -3.190 -5.889 309 1HG1 VAL 46 1HG1 VAL 46 1.512 -1.728 -7.591 310 2HG1 VAL 46 2HG1 VAL 46 0.030 -1.235 -6.770 311 3HG1 VAL 46 3HG1 VAL 46 1.592 -0.689 -6.171 312 1HG2 VAL 46 1HG2 VAL 46 0.099 -1.874 -4.080 313 2HG2 VAL 46 2HG2 VAL 46 1.200 -3.179 -3.643 314 3HG2 VAL 46 3HG2 VAL 46 1.839 -1.590 -4.063 315 H ASN 47 H ASN 47 -0.156 -3.800 -8.614 316 HA ASN 47 HA ASN 47 0.216 -5.187 -10.316 317 1HB ASN 47 2HB ASN 47 2.476 -6.280 -10.484 318 1HD2 ASN 47 1HD2 ASN 47 3.506 -3.777 -8.373 319 2HD2 ASN 47 2HD2 ASN 47 4.365 -4.790 -7.257 320 H ASP 48 H ASP 48 1.850 -7.433 -8.128 321 HA ASP 48 HA ASP 48 -0.560 -9.045 -7.976 322 1HB ASP 48 2HB ASP 48 0.485 -11.078 -8.756 323 H ARG 49 H ARG 49 1.690 -7.519 -6.397 324 HA ARG 49 HA ARG 49 2.248 -9.676 -4.484 325 1HB ARG 49 2HB ARG 49 4.237 -8.701 -5.635 326 1HG ARG 49 2HG ARG 49 4.607 -7.675 -2.903 327 1HD ARG 49 2HD ARG 49 6.534 -9.216 -2.988 328 HE ARG 49 HE ARG 49 7.067 -7.070 -3.917 329 1HH1 ARG 49 2HH1 ARG 49 6.159 -9.473 -6.317 330 2HH1 ARG 49 1HH1 ARG 49 7.010 -8.675 -7.604 331 1HH2 ARG 49 2HH2 ARG 49 8.208 -6.070 -5.584 332 2HH2 ARG 49 1HH2 ARG 49 8.176 -6.736 -7.195 333 H GLN 50 H GLN 50 1.081 -9.538 -2.710 334 HA GLN 50 HA GLN 50 0.267 -6.864 -1.807 335 1HB GLN 50 2HB GLN 50 -1.649 -7.992 -0.674 336 1HG GLN 50 2HG GLN 50 -1.721 -10.334 -2.326 337 1HE2 GLN 50 1HE2 GLN 50 -3.766 -10.464 -1.492 338 2HE2 GLN 50 2HE2 GLN 50 -4.083 -10.808 0.177 339 H GLY 51 H GLY 51 1.532 -6.202 -0.287 340 1HA GLY 51 1HA GLY 51 2.104 -7.938 2.001 341 2HA GLY 51 2HA GLY 51 3.468 -7.245 1.130 342 H PHE 52 H PHE 52 4.219 -5.896 2.739 343 HA PHE 52 HA PHE 52 2.273 -3.996 3.840 344 1HB PHE 52 2HB PHE 52 4.875 -5.043 4.936 345 HD1 PHE 52 1HD PHE 52 1.544 -4.011 6.248 346 HD2 PHE 52 2HD PHE 52 4.394 -7.135 5.777 347 HE1 PHE 52 1HE PHE 52 0.153 -5.478 7.643 348 HE2 PHE 52 2HE PHE 52 3.006 -8.614 7.171 349 HZ PHE 52 HZ PHE 52 0.883 -7.785 8.106 350 H VAL 53 H VAL 53 2.642 -1.863 3.953 351 HA VAL 53 HA VAL 53 5.139 -0.722 2.902 352 HB VAL 53 HB VAL 53 3.884 1.075 1.759 353 1HG1 VAL 53 1HG1 VAL 53 4.729 -0.782 0.448 354 2HG1 VAL 53 2HG1 VAL 53 3.245 -1.690 0.750 355 3HG1 VAL 53 3HG1 VAL 53 3.192 -0.209 -0.206 356 1HG2 VAL 53 1HG2 VAL 53 1.797 0.938 3.004 357 2HG2 VAL 53 2HG2 VAL 53 1.505 0.803 1.269 358 3HG2 VAL 53 3HG2 VAL 53 1.458 -0.637 2.285 359 HA PRO 54 HA PRO 54 4.713 1.955 6.449 360 1HB PRO 54 2HB PRO 54 5.716 4.302 5.485 361 1HG PRO 54 2HG PRO 54 5.847 3.778 3.232 362 1HD PRO 54 2HD PRO 54 5.616 1.617 2.475 363 H ALA 55 H ALA 55 3.028 2.994 7.266 364 HA ALA 55 HA ALA 55 0.771 3.696 5.785 365 1HB ALA 55 1HB ALA 55 1.538 4.644 8.542 366 2HB ALA 55 2HB ALA 55 -0.085 4.647 7.851 367 3HB ALA 55 3HB ALA 55 0.737 3.118 8.164 368 H ALA 56 H ALA 56 3.570 5.592 6.613 369 HA ALA 56 HA ALA 56 2.308 8.142 6.139 370 1HB ALA 56 1HB ALA 56 5.225 7.446 6.459 371 2HB ALA 56 2HB ALA 56 4.531 9.068 6.500 372 3HB ALA 56 3HB ALA 56 4.122 7.903 7.759 373 H TYR 57 H TYR 57 3.154 5.793 4.024 374 HA TYR 57 HA TYR 57 4.277 7.663 2.048 375 1HB TYR 57 2HB TYR 57 4.604 4.733 2.459 376 HD1 TYR 57 1HD TYR 57 6.882 5.239 0.171 377 HD2 TYR 57 2HD TYR 57 5.921 6.862 3.980 378 HE1 TYR 57 1HE TYR 57 9.224 5.916 0.467 379 HE2 TYR 57 2HE TYR 57 8.257 7.538 4.290 380 HH TYR 57 HH TYR 57 10.478 7.691 1.812 381 H VAL 58 H VAL 58 1.486 5.829 2.772 382 HA VAL 58 HA VAL 58 0.468 6.332 0.059 383 HB VAL 58 HB VAL 58 -1.189 4.559 0.467 384 1HG1 VAL 58 1HG1 VAL 58 0.393 2.652 0.364 385 2HG1 VAL 58 2HG1 VAL 58 0.848 3.988 -0.695 386 3HG1 VAL 58 3HG1 VAL 58 1.694 3.748 0.835 387 1HG2 VAL 58 1HG2 VAL 58 0.351 4.086 3.022 388 2HG2 VAL 58 2HG2 VAL 58 -1.306 4.676 2.898 389 3HG2 VAL 58 3HG2 VAL 58 -0.915 3.040 2.375 390 H LYS 59 H LYS 59 -1.656 7.112 -0.171 391 HA LYS 59 HA LYS 59 -2.624 8.568 2.199 392 1HB LYS 59 2HB LYS 59 -1.783 10.038 0.433 393 1HG LYS 59 2HG LYS 59 -4.791 10.123 0.454 394 1HD LYS 59 2HD LYS 59 -2.731 12.271 -0.038 395 1HE LYS 59 2HE LYS 59 -4.618 13.743 -0.424 396 1HZ LYS 59 1HZ LYS 59 -5.425 13.949 1.809 397 2HZ LYS 59 2HZ LYS 59 -3.779 13.544 1.861 398 3HZ LYS 59 3HZ LYS 59 -4.956 12.364 2.185 399 H LYS 60 H LYS 60 -4.792 8.579 2.654 400 HA LYS 60 HA LYS 60 -6.341 6.360 1.753 401 1HB LYS 60 2HB LYS 60 -7.133 8.789 3.376 402 1HG LYS 60 2HG LYS 60 -5.496 7.065 4.380 403 1HD LYS 60 2HD LYS 60 -6.646 5.029 3.707 404 1HE LYS 60 2HE LYS 60 -8.848 5.440 5.681 405 1HZ LYS 60 1HZ LYS 60 -8.637 3.953 3.133 406 2HZ LYS 60 2HZ LYS 60 -10.028 4.036 4.094 407 3HZ LYS 60 3HZ LYS 60 -8.627 3.292 4.694 408 H LEU 61 H LEU 61 -7.291 6.291 -0.188 409 HA LEU 61 HA LEU 61 -8.472 8.726 -1.308 410 1HB LEU 61 2HB LEU 61 -8.178 5.918 -2.387 411 HG LEU 61 HG LEU 61 -6.075 7.308 -2.510 412 1HD1 LEU 61 1HD1 LEU 61 -5.695 6.819 -4.872 413 2HD1 LEU 61 2HD1 LEU 61 -6.533 5.493 -4.066 414 3HD1 LEU 61 3HD1 LEU 61 -7.429 6.597 -5.109 415 1HD2 LEU 61 1HD2 LEU 61 -6.974 9.517 -2.803 416 2HD2 LEU 61 2HD2 LEU 61 -6.067 9.091 -4.251 417 3HD2 LEU 61 3HD2 LEU 61 -7.830 9.029 -4.267 418 H ASP 62 H ASP 62 -9.270 7.335 1.112 419 HA ASP 62 HA ASP 62 -12.009 6.527 0.461 420 1HB ASP 62 2HB ASP 62 -10.832 4.520 0.959 Start of MODEL 2 1 1H MET 1 1H MET 1 -12.533 -6.781 -1.568 2 2H MET 1 2H MET 1 -12.979 -8.396 -1.800 3 3H MET 1 3H MET 1 -12.327 -7.902 -0.314 4 HA MET 1 HA MET 1 -14.704 -8.230 -0.165 5 1HB MET 1 2HB MET 1 -15.165 -6.315 1.079 6 1HG MET 1 2HG MET 1 -13.394 -4.731 -0.766 7 1HE MET 1 1HE MET 1 -12.213 -3.391 2.748 8 2HE MET 1 2HE MET 1 -12.478 -5.059 2.243 9 3HE MET 1 3HE MET 1 -11.673 -3.927 1.157 10 H ASP 2 H ASP 2 -13.645 -6.401 -2.874 11 HA ASP 2 HA ASP 2 -16.040 -6.763 -4.313 12 1HB ASP 2 2HB ASP 2 -17.065 -4.657 -4.322 13 H GLU 3 H GLU 3 -13.239 -4.684 -3.836 14 HA GLU 3 HA GLU 3 -11.330 -4.501 -4.973 15 1HB GLU 3 2HB GLU 3 -12.550 -6.728 -6.542 16 1HG GLU 3 2HG GLU 3 -10.715 -8.013 -5.699 17 H THR 4 H THR 4 -14.295 -4.131 -6.824 18 HA THR 4 HA THR 4 -13.132 -2.529 -8.850 19 HB THR 4 HB THR 4 -15.914 -1.856 -8.146 20 HG1 THR 4 1HG THR 4 -16.487 -3.858 -7.816 21 1HG2 THR 4 1HG2 THR 4 -16.239 -2.298 -10.524 22 2HG2 THR 4 2HG2 THR 4 -14.597 -2.932 -10.641 23 3HG2 THR 4 3HG2 THR 4 -14.860 -1.227 -10.272 24 H GLY 5 H GLY 5 -14.405 -1.680 -5.613 25 1HA GLY 5 1HA GLY 5 -12.979 0.799 -5.689 26 2HA GLY 5 2HA GLY 5 -14.716 1.028 -5.859 27 H LYS 6 H LYS 6 -12.138 0.308 -3.738 28 HA LYS 6 HA LYS 6 -14.032 0.162 -1.499 29 1HB LYS 6 2HB LYS 6 -12.771 -1.465 -0.380 30 1HG LYS 6 2HG LYS 6 -10.505 -0.554 -0.696 31 1HD LYS 6 2HD LYS 6 -10.589 -0.254 -3.163 32 1HE LYS 6 2HE LYS 6 -10.363 -3.268 -3.202 33 1HZ LYS 6 1HZ LYS 6 -8.838 -2.348 -4.804 34 2HZ LYS 6 2HZ LYS 6 -10.029 -1.297 -5.406 35 3HZ LYS 6 3HZ LYS 6 -10.187 -2.968 -5.622 36 H GLU 7 H GLU 7 -12.091 0.316 0.547 37 HA GLU 7 HA GLU 7 -11.763 2.942 1.048 38 1HB GLU 7 2HB GLU 7 -10.008 0.618 1.777 39 1HG GLU 7 2HG GLU 7 -10.882 0.916 3.984 40 H LEU 8 H LEU 8 -9.229 0.965 -0.516 41 HA LEU 8 HA LEU 8 -7.575 1.446 -1.976 42 1HB LEU 8 2HB LEU 8 -9.360 3.807 -2.517 43 HG LEU 8 HG LEU 8 -10.137 1.551 -3.322 44 1HD1 LEU 8 1HD1 LEU 8 -10.882 3.616 -4.376 45 2HD1 LEU 8 2HD1 LEU 8 -9.457 3.614 -5.414 46 3HD1 LEU 8 3HD1 LEU 8 -10.668 2.342 -5.578 47 1HD2 LEU 8 1HD2 LEU 8 -7.650 1.792 -5.010 48 2HD2 LEU 8 2HD2 LEU 8 -8.014 0.532 -3.831 49 3HD2 LEU 8 3HD2 LEU 8 -8.960 0.652 -5.313 50 H VAL 9 H VAL 9 -5.605 2.450 -2.116 51 HA VAL 9 HA VAL 9 -5.228 4.896 -0.548 52 HB VAL 9 HB VAL 9 -2.917 4.026 0.087 53 1HG1 VAL 9 1HG1 VAL 9 -3.766 2.879 2.082 54 2HG1 VAL 9 2HG1 VAL 9 -4.686 4.340 1.717 55 3HG1 VAL 9 3HG1 VAL 9 -5.353 2.752 1.325 56 1HG2 VAL 9 1HG2 VAL 9 -4.229 1.377 -0.530 57 2HG2 VAL 9 2HG2 VAL 9 -2.870 2.089 -1.401 58 3HG2 VAL 9 3HG2 VAL 9 -2.680 1.599 0.283 59 H LEU 10 H LEU 10 -3.792 6.324 -1.360 60 HA LEU 10 HA LEU 10 -2.956 5.815 -4.117 61 1HB LEU 10 2HB LEU 10 -4.189 7.734 -4.177 62 HG LEU 10 HG LEU 10 -1.445 8.731 -3.531 63 1HD1 LEU 10 1HD1 LEU 10 -1.439 9.295 -5.907 64 2HD1 LEU 10 2HD1 LEU 10 -1.725 7.575 -5.638 65 3HD1 LEU 10 3HD1 LEU 10 -3.068 8.635 -6.059 66 1HD2 LEU 10 1HD2 LEU 10 -2.192 10.951 -4.287 67 2HD2 LEU 10 2HD2 LEU 10 -3.857 10.368 -4.289 68 3HD2 LEU 10 3HD2 LEU 10 -2.955 10.456 -2.774 69 H ALA 11 H ALA 11 -0.893 5.249 -4.408 70 HA ALA 11 HA ALA 11 1.118 5.473 -2.440 71 1HB ALA 11 1HB ALA 11 2.638 4.701 -4.164 72 2HB ALA 11 2HB ALA 11 1.133 3.783 -4.239 73 3HB ALA 11 3HB ALA 11 1.446 5.065 -5.411 74 H LEU 12 H LEU 12 2.219 7.219 -1.827 75 HA LEU 12 HA LEU 12 2.022 9.653 -3.422 76 1HB LEU 12 2HB LEU 12 3.231 9.179 -0.696 77 HG LEU 12 HG LEU 12 0.766 8.868 -0.664 78 1HD1 LEU 12 1HD1 LEU 12 0.308 10.471 1.105 79 2HD1 LEU 12 2HD1 LEU 12 1.932 9.806 1.270 80 3HD1 LEU 12 3HD1 LEU 12 1.704 11.429 0.620 81 1HD2 LEU 12 1HD2 LEU 12 0.707 11.705 -1.697 82 2HD2 LEU 12 2HD2 LEU 12 0.189 10.267 -2.579 83 3HD2 LEU 12 3HD2 LEU 12 -0.689 10.783 -1.138 84 H TYR 13 H TYR 13 4.427 7.336 -2.406 85 HA TYR 13 HA TYR 13 6.467 8.911 -3.791 86 1HB TYR 13 2HB TYR 13 7.044 7.440 -1.226 87 HD1 TYR 13 1HD TYR 13 6.211 8.175 0.771 88 HD2 TYR 13 2HD TYR 13 6.546 10.978 -2.404 89 HE1 TYR 13 1HE TYR 13 5.286 9.927 2.227 90 HE2 TYR 13 2HE TYR 13 5.621 12.734 -0.964 91 HH TYR 13 HH TYR 13 5.161 12.271 2.439 92 H ASP 14 H ASP 14 8.157 7.680 -4.747 93 HA ASP 14 HA ASP 14 7.491 5.050 -5.578 94 1HB ASP 14 2HB ASP 14 10.281 6.176 -5.683 95 H TYR 15 H TYR 15 7.566 3.334 -4.233 96 HA TYR 15 HA TYR 15 9.518 3.432 -2.045 97 1HB TYR 15 2HB TYR 15 7.086 3.336 -1.407 98 HD1 TYR 15 1HD TYR 15 9.303 3.514 0.250 99 HD2 TYR 15 2HD TYR 15 7.077 0.000 -0.659 100 HE1 TYR 15 1HE TYR 15 10.061 2.486 2.357 101 HE2 TYR 15 2HE TYR 15 7.835 -1.030 1.425 102 HH TYR 15 HH TYR 15 9.440 0.732 3.894 103 H GLN 16 H GLN 16 11.168 2.125 -2.125 104 HA GLN 16 HA GLN 16 10.972 -0.375 -3.638 105 1HB GLN 16 2HB GLN 16 12.925 1.015 -4.136 106 1HG GLN 16 2HG GLN 16 14.729 -0.501 -3.818 107 1HE2 GLN 16 1HE2 GLN 16 12.202 -2.713 -2.927 108 2HE2 GLN 16 2HE2 GLN 16 11.901 -3.333 -4.518 109 H GLU 17 H GLU 17 10.244 -2.032 -2.510 110 HA GLU 17 HA GLU 17 9.961 -2.263 0.209 111 1HB GLU 17 2HB GLU 17 9.714 -4.663 -0.130 112 1HG GLU 17 2HG GLU 17 10.993 -4.155 -2.792 113 H LYS 18 H LYS 18 11.194 -2.694 1.887 114 HA LYS 18 HA LYS 18 14.062 -3.020 1.472 115 1HB LYS 18 2HB LYS 18 12.538 -2.663 4.069 116 1HG LYS 18 2HG LYS 18 13.900 -0.494 2.491 117 1HD LYS 18 2HD LYS 18 12.601 0.961 4.034 118 1HE LYS 18 2HE LYS 18 14.002 0.594 6.013 119 1HZ LYS 18 1HZ LYS 18 16.119 0.794 4.948 120 2HZ LYS 18 2HZ LYS 18 14.974 1.628 4.017 121 3HZ LYS 18 3HZ LYS 18 15.532 0.105 3.517 122 H SER 19 H SER 19 11.391 -4.963 1.962 123 HA SER 19 HA SER 19 13.041 -7.278 2.499 124 1HB SER 19 2HB SER 19 11.698 -8.017 4.427 125 HG SER 19 HG SER 19 10.461 -5.463 4.394 126 HA PRO 20 HA PRO 20 10.192 -9.097 -0.374 127 1HB PRO 20 2HB PRO 20 9.903 -11.632 0.673 128 1HG PRO 20 2HG PRO 20 11.057 -11.304 2.659 129 1HD PRO 20 2HD PRO 20 12.476 -9.490 2.980 130 H ALA 21 H ALA 21 9.383 -8.829 2.946 131 HA ALA 21 HA ALA 21 6.656 -9.746 2.653 132 1HB ALA 21 1HB ALA 21 6.376 -9.034 4.967 133 2HB ALA 21 2HB ALA 21 7.824 -10.023 4.789 134 3HB ALA 21 3HB ALA 21 7.965 -8.271 4.938 135 H GLU 22 H GLU 22 8.415 -6.940 2.049 136 HA GLU 22 HA GLU 22 6.140 -5.134 2.234 137 1HB GLU 22 2HB GLU 22 9.046 -4.770 1.520 138 1HG GLU 22 2HG GLU 22 7.523 -3.303 3.622 139 H VAL 23 H VAL 23 5.957 -3.625 0.211 140 HA VAL 23 HA VAL 23 6.357 -5.188 -2.234 141 HB VAL 23 HB VAL 23 4.109 -5.563 -2.179 142 1HG1 VAL 23 1HG1 VAL 23 3.815 -4.454 0.012 143 2HG1 VAL 23 2HG1 VAL 23 3.608 -2.920 -0.832 144 3HG1 VAL 23 3HG1 VAL 23 2.446 -4.228 -1.081 145 1HG2 VAL 23 1HG2 VAL 23 4.327 -2.794 -3.330 146 2HG2 VAL 23 2HG2 VAL 23 4.309 -4.332 -4.192 147 3HG2 VAL 23 3HG2 VAL 23 2.847 -3.742 -3.399 148 H THR 24 H THR 24 7.304 -4.141 -3.790 149 HA THR 24 HA THR 24 8.025 -1.395 -3.639 150 HB THR 24 HB THR 24 8.133 -3.301 -5.989 151 HG1 THR 24 1HG THR 24 9.360 -4.100 -4.278 152 1HG2 THR 24 1HG2 THR 24 9.627 -0.725 -5.489 153 2HG2 THR 24 2HG2 THR 24 8.350 -0.966 -6.679 154 3HG2 THR 24 3HG2 THR 24 9.884 -1.816 -6.849 155 H MET 25 H MET 25 7.048 0.376 -4.516 156 HA MET 25 HA MET 25 4.856 0.021 -6.407 157 1HB MET 25 2HB MET 25 3.261 1.248 -5.098 158 1HG MET 25 2HG MET 25 5.423 1.540 -3.024 159 1HE MET 25 1HE MET 25 3.381 3.535 -0.367 160 2HE MET 25 2HE MET 25 4.967 2.924 -0.827 161 3HE MET 25 3HE MET 25 4.203 4.197 -1.779 162 H LYS 26 H LYS 26 4.349 1.906 -7.580 163 HA LYS 26 HA LYS 26 6.277 4.111 -7.266 164 1HB LYS 26 2HB LYS 26 4.766 3.085 -9.669 165 1HG LYS 26 2HG LYS 26 7.005 2.093 -9.177 166 1HD LYS 26 2HD LYS 26 7.868 4.939 -9.669 167 1HE LYS 26 2HE LYS 26 9.239 3.456 -11.031 168 1HZ LYS 26 1HZ LYS 26 10.659 1.816 -9.893 169 2HZ LYS 26 2HZ LYS 26 9.021 1.385 -9.901 170 3HZ LYS 26 3HZ LYS 26 9.726 2.007 -8.484 171 H LYS 27 H LYS 27 5.555 6.139 -6.957 172 HA LYS 27 HA LYS 27 3.039 6.646 -5.920 173 1HB LYS 27 2HB LYS 27 3.605 8.891 -5.815 174 1HG LYS 27 2HG LYS 27 3.952 9.142 -8.320 175 1HD LYS 27 2HD LYS 27 6.785 8.562 -7.476 176 1HE LYS 27 2HE LYS 27 5.811 9.314 -10.213 177 1HZ LYS 27 1HZ LYS 27 8.552 9.651 -9.242 178 2HZ LYS 27 2HZ LYS 27 8.000 9.280 -10.805 179 3HZ LYS 27 3HZ LYS 27 8.032 8.079 -9.596 180 H GLY 28 H GLY 28 1.244 7.734 -6.661 181 1HA GLY 28 1HA GLY 28 -0.196 8.597 -8.317 182 2HA GLY 28 2HA GLY 28 0.939 8.062 -9.547 183 H ASP 29 H ASP 29 1.001 5.392 -7.984 184 HA ASP 29 HA ASP 29 -1.186 4.188 -9.441 185 1HB ASP 29 2HB ASP 29 1.048 3.054 -7.769 186 H ILE 30 H ILE 30 -3.017 3.376 -8.641 187 HA ILE 30 HA ILE 30 -3.671 4.049 -5.868 188 HB ILE 30 HB ILE 30 -5.537 3.039 -8.021 189 1HG1 ILE 30 2HG1 ILE 30 -4.534 5.118 -8.794 190 1HG2 ILE 30 1HG2 ILE 30 -6.387 2.768 -5.768 191 2HG2 ILE 30 2HG2 ILE 30 -6.053 4.463 -5.413 192 3HG2 ILE 30 3HG2 ILE 30 -7.281 4.037 -6.605 193 1HD1 ILE 30 1HD1 ILE 30 -4.797 7.215 -7.595 194 2HD1 ILE 30 2HD1 ILE 30 -5.456 6.346 -6.209 195 3HD1 ILE 30 3HD1 ILE 30 -3.782 6.086 -6.696 196 H LEU 31 H LEU 31 -3.215 2.453 -4.438 197 HA LEU 31 HA LEU 31 -3.264 -0.317 -5.394 198 1HB LEU 31 2HB LEU 31 -2.468 0.344 -2.608 199 HG LEU 31 HG LEU 31 -1.056 1.983 -3.565 200 1HD1 LEU 31 1HD1 LEU 31 0.477 -0.606 -3.475 201 2HD1 LEU 31 2HD1 LEU 31 1.149 1.013 -3.280 202 3HD1 LEU 31 3HD1 LEU 31 0.033 0.370 -2.071 203 1HD2 LEU 31 1HD2 LEU 31 -0.273 0.013 -5.706 204 2HD2 LEU 31 2HD2 LEU 31 -1.397 1.353 -5.938 205 3HD2 LEU 31 3HD2 LEU 31 0.290 1.678 -5.529 206 H THR 32 H THR 32 -4.259 -1.960 -4.104 207 HA THR 32 HA THR 32 -6.778 -1.081 -2.959 208 HB THR 32 HB THR 32 -5.688 -3.814 -3.644 209 HG1 THR 32 1HG THR 32 -6.456 -2.748 -5.439 210 1HG2 THR 32 1HG2 THR 32 -8.345 -3.138 -2.385 211 2HG2 THR 32 2HG2 THR 32 -7.039 -4.047 -1.625 212 3HG2 THR 32 3HG2 THR 32 -7.891 -4.719 -3.018 213 H LEU 33 H LEU 33 -7.164 -0.929 -0.843 214 HA LEU 33 HA LEU 33 -5.065 -1.434 1.026 215 1HB LEU 33 2HB LEU 33 -7.488 0.086 1.025 216 HG LEU 33 HG LEU 33 -5.566 1.222 1.727 217 1HD1 LEU 33 1HD1 LEU 33 -7.274 0.576 4.116 218 2HD1 LEU 33 2HD1 LEU 33 -6.040 1.834 4.102 219 3HD1 LEU 33 3HD1 LEU 33 -7.426 1.948 3.017 220 1HD2 LEU 33 1HD2 LEU 33 -5.132 -0.930 3.793 221 2HD2 LEU 33 2HD2 LEU 33 -4.212 -0.734 2.301 222 3HD2 LEU 33 3HD2 LEU 33 -4.128 0.502 3.557 223 H LEU 34 H LEU 34 -4.692 -3.203 2.109 224 HA LEU 34 HA LEU 34 -6.777 -5.269 2.266 225 1HB LEU 34 2HB LEU 34 -3.770 -5.412 2.400 226 HG LEU 34 HG LEU 34 -4.618 -5.303 0.102 227 1HD1 LEU 34 1HD1 LEU 34 -3.569 -7.344 -0.721 228 2HD1 LEU 34 2HD1 LEU 34 -2.632 -6.620 0.586 229 3HD1 LEU 34 3HD1 LEU 34 -3.634 -8.036 0.900 230 1HD2 LEU 34 1HD2 LEU 34 -6.219 -7.738 0.887 231 2HD2 LEU 34 2HD2 LEU 34 -6.850 -6.170 0.386 232 3HD2 LEU 34 3HD2 LEU 34 -5.981 -7.178 -0.768 233 H ASN 35 H ASN 35 -4.489 -3.373 4.091 234 HA ASN 35 HA ASN 35 -5.914 -3.996 6.543 235 1HB ASN 35 2HB ASN 35 -4.341 -5.557 7.058 236 1HD2 ASN 35 1HD2 ASN 35 -1.838 -3.165 6.643 237 2HD2 ASN 35 2HD2 ASN 35 -1.572 -2.884 8.329 238 H SER 36 H SER 36 -6.193 -2.234 7.710 239 HA SER 36 HA SER 36 -4.159 -0.125 7.651 240 1HB SER 36 2HB SER 36 -6.129 1.540 7.666 241 HG SER 36 HG SER 36 -8.053 0.828 7.084 242 H THR 37 H THR 37 -5.173 -2.307 9.461 243 HA THR 37 HA THR 37 -6.244 -0.800 11.706 244 HB THR 37 HB THR 37 -7.124 -3.082 11.032 245 HG1 THR 37 1HG THR 37 -6.196 -3.206 13.702 246 1HG2 THR 37 1HG2 THR 37 -4.558 -4.021 12.328 247 2HG2 THR 37 2HG2 THR 37 -4.969 -4.180 10.620 248 3HG2 THR 37 3HG2 THR 37 -5.906 -5.048 11.838 249 H ASN 38 H ASN 38 -3.257 -1.508 10.457 250 HA ASN 38 HA ASN 38 -1.925 -1.554 13.068 251 1HB ASN 38 2HB ASN 38 -1.180 -3.204 11.344 252 1HD2 ASN 38 1HD2 ASN 38 1.397 -2.800 10.315 253 2HD2 ASN 38 2HD2 ASN 38 2.466 -2.536 11.655 254 H LYS 39 H LYS 39 -0.709 0.139 13.783 255 HA LYS 39 HA LYS 39 -1.349 2.679 12.611 256 1HB LYS 39 2HB LYS 39 -0.432 3.670 14.549 257 1HG LYS 39 2HG LYS 39 1.007 1.102 15.179 258 1HD LYS 39 2HD LYS 39 0.956 3.770 16.571 259 1HE LYS 39 2HE LYS 39 2.427 2.677 18.216 260 1HZ LYS 39 1HZ LYS 39 4.451 2.679 16.888 261 2HZ LYS 39 2HZ LYS 39 3.469 4.003 16.498 262 3HZ LYS 39 3HZ LYS 39 3.540 2.662 15.455 263 H ASP 40 H ASP 40 1.158 0.486 12.066 264 HA ASP 40 HA ASP 40 2.983 2.653 11.229 265 1HB ASP 40 2HB ASP 40 3.781 -0.178 11.929 266 H TRP 41 H TRP 41 2.477 -0.791 10.492 267 HA TRP 41 HA TRP 41 3.145 -0.187 7.702 268 1HB TRP 41 2HB TRP 41 3.392 -2.704 9.340 269 HD1 TRP 41 HD TRP 41 5.342 -1.576 10.795 270 HE1 TRP 41 1HE TRP 41 7.783 -0.978 10.225 271 HE3 TRP 41 3HE TRP 41 5.089 -1.864 5.694 272 HZ2 TRP 41 2HZ TRP 41 9.379 -0.664 7.927 273 HZ3 TRP 41 3HZ TRP 41 7.118 -1.397 4.389 274 HH2 TRP 41 HH TRP 41 9.217 -0.810 5.482 275 H TRP 42 H TRP 42 1.640 -0.342 6.197 276 HA TRP 42 HA TRP 42 -0.880 -1.700 6.858 277 1HB TRP 42 2HB TRP 42 -0.169 0.425 4.848 278 HD1 TRP 42 HD TRP 42 -1.092 -0.041 8.326 279 HE1 TRP 42 1HE TRP 42 -2.290 2.033 9.259 280 HE3 TRP 42 3HE TRP 42 -2.199 2.212 3.939 281 HZ2 TRP 42 2HZ TRP 42 -3.556 4.355 8.229 282 HZ3 TRP 42 3HZ TRP 42 -3.410 4.368 3.962 283 HH2 TRP 42 HH TRP 42 -4.070 5.414 6.070 284 H LYS 43 H LYS 43 -1.954 -2.782 4.939 285 HA LYS 43 HA LYS 43 0.087 -4.258 3.407 286 1HB LYS 43 2HB LYS 43 -1.308 -5.512 5.252 287 1HG LYS 43 2HG LYS 43 -1.212 -6.673 2.477 288 1HD LYS 43 2HD LYS 43 -1.025 -8.022 5.177 289 1HE LYS 43 2HE LYS 43 -1.424 -10.072 3.831 290 1HZ LYS 43 1HZ LYS 43 0.838 -9.559 4.418 291 2HZ LYS 43 2HZ LYS 43 0.999 -8.541 3.075 292 3HZ LYS 43 3HZ LYS 43 0.795 -10.206 2.849 293 H VAL 44 H VAL 44 -0.118 -4.143 1.274 294 HA VAL 44 HA VAL 44 -2.699 -3.320 0.139 295 HB VAL 44 HB VAL 44 -1.488 -1.758 -1.406 296 1HG1 VAL 44 1HG1 VAL 44 -1.315 0.066 0.222 297 2HG1 VAL 44 2HG1 VAL 44 -2.754 -0.915 0.493 298 3HG1 VAL 44 3HG1 VAL 44 -1.346 -1.108 1.536 299 1HG2 VAL 44 1HG2 VAL 44 0.719 -0.942 -0.739 300 2HG2 VAL 44 2HG2 VAL 44 0.774 -2.136 0.558 301 3HG2 VAL 44 3HG2 VAL 44 0.764 -2.661 -1.126 302 H GLU 45 H GLU 45 -2.982 -3.877 -2.061 303 HA GLU 45 HA GLU 45 -1.057 -5.885 -3.020 304 1HB GLU 45 2HB GLU 45 -3.356 -6.725 -2.498 305 1HG GLU 45 2HG GLU 45 -2.655 -6.860 -5.425 306 H VAL 46 H VAL 46 -0.109 -5.593 -4.902 307 HA VAL 46 HA VAL 46 -1.115 -3.628 -6.821 308 HB VAL 46 HB VAL 46 1.796 -3.497 -6.433 309 1HG1 VAL 46 1HG1 VAL 46 1.257 -1.014 -6.588 310 2HG1 VAL 46 2HG1 VAL 46 0.923 -2.016 -8.002 311 3HG1 VAL 46 3HG1 VAL 46 -0.392 -1.526 -6.936 312 1HG2 VAL 46 1HG2 VAL 46 1.228 -3.587 -4.099 313 2HG2 VAL 46 2HG2 VAL 46 1.705 -1.943 -4.524 314 3HG2 VAL 46 3HG2 VAL 46 -0.002 -2.341 -4.315 315 H ASN 47 H ASN 47 -0.657 -4.258 -8.905 316 HA ASN 47 HA ASN 47 -0.338 -5.703 -10.575 317 1HB ASN 47 2HB ASN 47 1.962 -6.561 -10.958 318 1HD2 ASN 47 1HD2 ASN 47 2.964 -4.059 -8.847 319 2HD2 ASN 47 2HD2 ASN 47 3.992 -5.023 -7.839 320 H ASP 48 H ASP 48 1.600 -7.677 -8.331 321 HA ASP 48 HA ASP 48 -0.630 -9.462 -7.918 322 1HB ASP 48 2HB ASP 48 0.387 -10.238 -10.071 323 H ARG 49 H ARG 49 1.541 -7.711 -6.620 324 HA ARG 49 HA ARG 49 2.395 -9.682 -4.608 325 1HB ARG 49 2HB ARG 49 4.366 -8.875 -5.624 326 1HG ARG 49 2HG ARG 49 4.265 -6.844 -3.451 327 1HD ARG 49 2HD ARG 49 6.504 -7.557 -3.025 328 HE ARG 49 HE ARG 49 6.540 -6.140 -4.985 329 1HH1 ARG 49 2HH1 ARG 49 6.769 -9.577 -5.557 330 2HH1 ARG 49 1HH1 ARG 49 7.456 -9.411 -7.142 331 1HH2 ARG 49 2HH2 ARG 49 7.425 -5.906 -7.097 332 2HH2 ARG 49 1HH2 ARG 49 7.819 -7.322 -8.023 333 H GLN 50 H GLN 50 1.319 -9.507 -2.794 334 HA GLN 50 HA GLN 50 0.392 -6.848 -1.958 335 1HB GLN 50 2HB GLN 50 -1.439 -8.059 -0.715 336 1HG GLN 50 2HG GLN 50 -1.429 -10.366 -2.472 337 1HE2 GLN 50 1HE2 GLN 50 -3.527 -10.583 -1.745 338 2HE2 GLN 50 2HE2 GLN 50 -3.906 -11.039 -0.123 339 H GLY 51 H GLY 51 1.684 -6.130 -0.488 340 1HA GLY 51 1HA GLY 51 2.389 -7.864 1.769 341 2HA GLY 51 2HA GLY 51 3.682 -7.074 0.878 342 H PHE 52 H PHE 52 4.294 -5.930 2.771 343 HA PHE 52 HA PHE 52 2.332 -4.013 3.778 344 1HB PHE 52 2HB PHE 52 4.885 -5.107 4.888 345 HD1 PHE 52 1HD PHE 52 2.054 -3.578 6.639 346 HD2 PHE 52 2HD PHE 52 3.872 -7.220 5.404 347 HE1 PHE 52 1HE PHE 52 0.558 -4.821 8.138 348 HE2 PHE 52 2HE PHE 52 2.368 -8.475 6.900 349 HZ PHE 52 HZ PHE 52 0.715 -7.270 8.276 350 H VAL 53 H VAL 53 2.630 -1.888 3.856 351 HA VAL 53 HA VAL 53 5.096 -0.694 2.785 352 HB VAL 53 HB VAL 53 3.736 1.081 1.676 353 1HG1 VAL 53 1HG1 VAL 53 3.117 -0.227 -0.301 354 2HG1 VAL 53 2HG1 VAL 53 4.687 -0.711 0.341 355 3HG1 VAL 53 3HG1 VAL 53 3.267 -1.711 0.642 356 1HG2 VAL 53 1HG2 VAL 53 1.376 0.654 1.184 357 2HG2 VAL 53 2HG2 VAL 53 1.427 -0.792 2.195 358 3HG2 VAL 53 3HG2 VAL 53 1.662 0.799 2.919 359 HA PRO 54 HA PRO 54 4.669 1.945 6.358 360 1HB PRO 54 2HB PRO 54 5.732 4.271 5.389 361 1HG PRO 54 2HG PRO 54 5.931 3.715 3.150 362 1HD PRO 54 2HD PRO 54 5.666 1.552 2.412 363 H ALA 55 H ALA 55 3.001 3.085 7.139 364 HA ALA 55 HA ALA 55 0.819 3.751 5.482 365 1HB ALA 55 1HB ALA 55 1.344 4.523 8.346 366 2HB ALA 55 2HB ALA 55 -0.211 4.620 7.518 367 3HB ALA 55 3HB ALA 55 0.546 3.050 7.791 368 H ALA 56 H ALA 56 3.572 5.560 6.477 369 HA ALA 56 HA ALA 56 2.368 8.144 5.985 370 1HB ALA 56 1HB ALA 56 4.581 9.035 6.464 371 2HB ALA 56 2HB ALA 56 4.085 7.878 7.702 372 3HB ALA 56 3HB ALA 56 5.248 7.402 6.464 373 H TYR 57 H TYR 57 3.214 5.782 3.930 374 HA TYR 57 HA TYR 57 4.322 7.630 1.924 375 1HB TYR 57 2HB TYR 57 4.724 4.713 2.381 376 HD1 TYR 57 1HD TYR 57 7.070 5.132 0.219 377 HD2 TYR 57 2HD TYR 57 5.941 7.002 3.863 378 HE1 TYR 57 1HE TYR 57 9.410 5.797 0.592 379 HE2 TYR 57 2HE TYR 57 8.274 7.671 4.253 380 HH TYR 57 HH TYR 57 10.682 7.446 1.833 381 H VAL 58 H VAL 58 1.552 5.994 2.798 382 HA VAL 58 HA VAL 58 0.481 6.302 0.080 383 HB VAL 58 HB VAL 58 -1.131 4.509 0.597 384 1HG1 VAL 58 1HG1 VAL 58 1.776 3.779 0.923 385 2HG1 VAL 58 2HG1 VAL 58 0.492 2.634 0.522 386 3HG1 VAL 58 3HG1 VAL 58 0.890 3.938 -0.598 387 1HG2 VAL 58 1HG2 VAL 58 0.496 4.152 3.115 388 2HG2 VAL 58 2HG2 VAL 58 -1.173 4.714 3.032 389 3HG2 VAL 58 3HG2 VAL 58 -0.773 3.066 2.548 390 H LYS 59 H LYS 59 -1.622 7.102 -0.102 391 HA LYS 59 HA LYS 59 -2.488 8.644 2.254 392 1HB LYS 59 2HB LYS 59 -1.718 9.933 0.246 393 1HG LYS 59 2HG LYS 59 -4.645 10.269 0.861 394 1HD LYS 59 2HD LYS 59 -2.636 12.119 -0.414 395 1HE LYS 59 2HE LYS 59 -4.479 13.743 -0.509 396 1HZ LYS 59 1HZ LYS 59 -4.409 14.417 1.790 397 2HZ LYS 59 2HZ LYS 59 -2.881 13.848 1.327 398 3HZ LYS 59 3HZ LYS 59 -3.894 12.878 2.274 399 H LYS 60 H LYS 60 -4.596 8.554 2.897 400 HA LYS 60 HA LYS 60 -6.156 6.309 2.026 401 1HB LYS 60 2HB LYS 60 -6.772 8.578 3.926 402 1HG LYS 60 2HG LYS 60 -5.234 6.611 4.603 403 1HD LYS 60 2HD LYS 60 -6.505 4.749 3.789 404 1HE LYS 60 2HE LYS 60 -8.762 5.798 5.484 405 1HZ LYS 60 1HZ LYS 60 -8.748 3.421 5.550 406 2HZ LYS 60 2HZ LYS 60 -8.620 3.331 3.862 407 3HZ LYS 60 3HZ LYS 60 -10.032 3.952 4.569 408 H LEU 61 H LEU 61 -7.121 6.353 0.099 409 HA LEU 61 HA LEU 61 -8.382 8.807 -0.845 410 1HB LEU 61 2HB LEU 61 -8.157 6.045 -2.053 411 HG LEU 61 HG LEU 61 -6.015 7.389 -2.154 412 1HD1 LEU 61 1HD1 LEU 61 -7.459 6.760 -4.726 413 2HD1 LEU 61 2HD1 LEU 61 -5.722 7.006 -4.569 414 3HD1 LEU 61 3HD1 LEU 61 -6.495 5.645 -3.760 415 1HD2 LEU 61 1HD2 LEU 61 -7.747 9.197 -3.846 416 2HD2 LEU 61 2HD2 LEU 61 -6.910 9.624 -2.354 417 3HD2 LEU 61 3HD2 LEU 61 -5.983 9.237 -3.803 418 H ASP 62 H ASP 62 -9.305 7.855 1.543 419 HA ASP 62 HA ASP 62 -12.004 6.909 0.971 420 1HB ASP 62 2HB ASP 62 -10.811 4.874 1.413 Start of MODEL 3 1 1H MET 1 1H MET 1 -16.328 -7.179 -0.115 2 2H MET 1 2H MET 1 -16.091 -5.544 0.271 3 3H MET 1 3H MET 1 -14.908 -6.392 -0.585 4 HA MET 1 HA MET 1 -17.644 -5.923 -1.598 5 1HB MET 1 2HB MET 1 -16.410 -3.791 -1.293 6 1HG MET 1 2HG MET 1 -16.686 -4.607 -4.175 7 1HE MET 1 1HE MET 1 -16.327 -0.320 -2.493 8 2HE MET 1 2HE MET 1 -17.739 -1.341 -2.208 9 3HE MET 1 3HE MET 1 -16.177 -1.780 -1.516 10 H ASP 2 H ASP 2 -14.500 -5.817 -3.181 11 HA ASP 2 HA ASP 2 -15.215 -8.262 -4.677 12 1HB ASP 2 2HB ASP 2 -13.647 -7.443 -6.426 13 H GLU 3 H GLU 3 -13.435 -7.129 -2.241 14 HA GLU 3 HA GLU 3 -11.845 -9.518 -2.108 15 1HB GLU 3 2HB GLU 3 -10.383 -7.858 -3.307 16 1HG GLU 3 2HG GLU 3 -8.417 -7.951 -1.891 17 H THR 4 H THR 4 -10.743 -9.451 0.235 18 HA THR 4 HA THR 4 -12.645 -9.004 2.202 19 HB THR 4 HB THR 4 -9.741 -8.657 2.903 20 HG1 THR 4 1HG THR 4 -11.014 -11.086 2.066 21 1HG2 THR 4 1HG2 THR 4 -10.389 -10.084 4.785 22 2HG2 THR 4 2HG2 THR 4 -12.019 -10.222 4.127 23 3HG2 THR 4 3HG2 THR 4 -11.420 -8.658 4.682 24 H GLY 5 H GLY 5 -10.546 -6.689 0.682 25 1HA GLY 5 1HA GLY 5 -11.967 -4.532 1.964 26 2HA GLY 5 2HA GLY 5 -10.250 -4.602 2.345 27 H LYS 6 H LYS 6 -11.323 -2.415 1.030 28 HA LYS 6 HA LYS 6 -9.797 -2.566 -1.429 29 1HB LYS 6 2HB LYS 6 -12.042 -3.013 -2.191 30 1HG LYS 6 2HG LYS 6 -12.400 -1.318 -3.762 31 1HD LYS 6 2HD LYS 6 -10.150 -0.788 -4.635 32 1HE LYS 6 2HE LYS 6 -9.431 -3.126 -4.931 33 1HZ LYS 6 1HZ LYS 6 -11.429 -3.951 -5.923 34 2HZ LYS 6 2HZ LYS 6 -11.352 -2.276 -6.196 35 3HZ LYS 6 3HZ LYS 6 -12.386 -2.901 -5.008 36 H GLU 7 H GLU 7 -11.970 -0.010 -0.690 37 HA GLU 7 HA GLU 7 -11.769 2.059 0.205 38 1HB GLU 7 2HB GLU 7 -9.470 0.668 1.495 39 1HG GLU 7 2HG GLU 7 -10.521 1.323 3.532 40 H LEU 8 H LEU 8 -8.948 0.830 -1.447 41 HA LEU 8 HA LEU 8 -7.476 1.677 -2.914 42 1HB LEU 8 2HB LEU 8 -9.642 3.736 -3.269 43 HG LEU 8 HG LEU 8 -10.197 1.437 -4.058 44 1HD1 LEU 8 1HD1 LEU 8 -11.212 3.365 -5.113 45 2HD1 LEU 8 2HD1 LEU 8 -9.823 3.539 -6.188 46 3HD1 LEU 8 3HD1 LEU 8 -10.870 2.126 -6.320 47 1HD2 LEU 8 1HD2 LEU 8 -9.024 0.628 -6.091 48 2HD2 LEU 8 2HD2 LEU 8 -7.816 1.889 -5.856 49 3HD2 LEU 8 3HD2 LEU 8 -8.008 0.615 -4.652 50 H VAL 9 H VAL 9 -5.593 2.424 -2.335 51 HA VAL 9 HA VAL 9 -5.486 5.034 -0.988 52 HB VAL 9 HB VAL 9 -3.264 4.266 -0.026 53 1HG1 VAL 9 1HG1 VAL 9 -4.302 3.124 1.866 54 2HG1 VAL 9 2HG1 VAL 9 -5.277 4.491 1.333 55 3HG1 VAL 9 3HG1 VAL 9 -5.757 2.847 0.909 56 1HG2 VAL 9 1HG2 VAL 9 -2.960 1.843 0.254 57 2HG2 VAL 9 2HG2 VAL 9 -4.346 1.560 -0.799 58 3HG2 VAL 9 3HG2 VAL 9 -2.896 2.328 -1.442 59 H LEU 10 H LEU 10 -3.960 6.459 -1.657 60 HA LEU 10 HA LEU 10 -2.956 5.931 -4.345 61 1HB LEU 10 2HB LEU 10 -4.185 7.858 -4.447 62 HG LEU 10 HG LEU 10 -1.436 8.826 -3.771 63 1HD1 LEU 10 1HD1 LEU 10 -1.352 9.294 -6.168 64 2HD1 LEU 10 2HD1 LEU 10 -1.672 7.590 -5.843 65 3HD1 LEU 10 3HD1 LEU 10 -2.986 8.652 -6.343 66 1HD2 LEU 10 1HD2 LEU 10 -3.795 10.464 -4.682 67 2HD2 LEU 10 2HD2 LEU 10 -2.968 10.588 -3.127 68 3HD2 LEU 10 3HD2 LEU 10 -2.125 11.026 -4.614 69 H ALA 11 H ALA 11 -0.878 5.447 -4.609 70 HA ALA 11 HA ALA 11 1.031 5.621 -2.514 71 1HB ALA 11 1HB ALA 11 2.635 4.845 -4.168 72 2HB ALA 11 2HB ALA 11 1.138 3.921 -4.298 73 3HB ALA 11 3HB ALA 11 1.495 5.194 -5.468 74 H LEU 12 H LEU 12 1.899 7.457 -1.814 75 HA LEU 12 HA LEU 12 1.815 9.851 -3.425 76 1HB LEU 12 2HB LEU 12 3.004 9.367 -0.695 77 HG LEU 12 HG LEU 12 0.549 9.062 -0.657 78 1HD1 LEU 12 1HD1 LEU 12 1.461 11.654 0.586 79 2HD1 LEU 12 2HD1 LEU 12 0.075 10.684 1.087 80 3HD1 LEU 12 3HD1 LEU 12 1.711 10.045 1.264 81 1HD2 LEU 12 1HD2 LEU 12 -0.927 10.910 -1.211 82 2HD2 LEU 12 2HD2 LEU 12 0.455 11.891 -1.705 83 3HD2 LEU 12 3HD2 LEU 12 0.025 10.444 -2.620 84 H TYR 13 H TYR 13 4.247 7.603 -2.281 85 HA TYR 13 HA TYR 13 6.271 9.130 -3.761 86 1HB TYR 13 2HB TYR 13 6.896 7.693 -1.187 87 HD1 TYR 13 1HD TYR 13 5.932 8.375 0.803 88 HD2 TYR 13 2HD TYR 13 6.364 11.220 -2.322 89 HE1 TYR 13 1HE TYR 13 4.910 10.088 2.232 90 HE2 TYR 13 2HE TYR 13 5.344 12.947 -0.906 91 HH TYR 13 HH TYR 13 3.858 13.097 1.041 92 H ASP 14 H ASP 14 7.923 7.853 -4.752 93 HA ASP 14 HA ASP 14 7.265 5.187 -5.445 94 1HB ASP 14 2HB ASP 14 10.101 6.157 -5.519 95 H TYR 15 H TYR 15 7.481 3.403 -4.223 96 HA TYR 15 HA TYR 15 9.316 3.571 -1.924 97 1HB TYR 15 2HB TYR 15 6.916 3.527 -1.294 98 HD1 TYR 15 1HD TYR 15 8.858 3.614 0.528 99 HD2 TYR 15 2HD TYR 15 6.950 0.069 -0.842 100 HE1 TYR 15 1HE TYR 15 9.522 2.459 2.593 101 HE2 TYR 15 2HE TYR 15 7.626 -1.096 1.194 102 HH TYR 15 HH TYR 15 8.870 0.545 3.930 103 H GLN 16 H GLN 16 10.821 2.078 -1.711 104 HA GLN 16 HA GLN 16 10.722 -0.236 -3.522 105 1HB GLN 16 2HB GLN 16 12.590 1.315 -3.938 106 1HG GLN 16 2HG GLN 16 14.411 -0.177 -3.970 107 1HE2 GLN 16 1HE2 GLN 16 12.099 -2.586 -3.059 108 2HE2 GLN 16 2HE2 GLN 16 11.655 -3.070 -4.666 109 H GLU 17 H GLU 17 10.093 -2.002 -2.517 110 HA GLU 17 HA GLU 17 10.047 -2.503 0.209 111 1HB GLU 17 2HB GLU 17 9.677 -4.832 -0.372 112 1HG GLU 17 2HG GLU 17 10.795 -4.099 -3.055 113 H LYS 18 H LYS 18 11.519 -3.128 1.686 114 HA LYS 18 HA LYS 18 14.255 -3.613 0.772 115 1HB LYS 18 2HB LYS 18 13.450 -3.493 3.667 116 1HG LYS 18 2HG LYS 18 13.863 -1.047 1.970 117 1HD LYS 18 2HD LYS 18 13.603 -1.529 4.915 118 1HE LYS 18 2HE LYS 18 13.285 0.952 5.122 119 1HZ LYS 18 1HZ LYS 18 11.422 -0.483 5.518 120 2HZ LYS 18 2HZ LYS 18 11.089 -0.607 3.859 121 3HZ LYS 18 3HZ LYS 18 10.885 0.876 4.654 122 H SER 19 H SER 19 11.517 -5.343 1.833 123 HA SER 19 HA SER 19 13.120 -7.696 2.530 124 1HB SER 19 2HB SER 19 10.735 -6.849 4.185 125 HG SER 19 HG SER 19 12.032 -5.181 4.577 126 HA PRO 20 HA PRO 20 10.012 -9.849 0.106 127 1HB PRO 20 2HB PRO 20 10.083 -12.309 1.220 128 1HG PRO 20 2HG PRO 20 11.126 -11.721 3.222 129 1HD PRO 20 2HD PRO 20 12.439 -9.820 3.424 130 H ALA 21 H ALA 21 8.876 -8.230 1.897 131 HA ALA 21 HA ALA 21 6.420 -9.555 2.613 132 1HB ALA 21 1HB ALA 21 8.079 -8.216 4.759 133 2HB ALA 21 2HB ALA 21 6.430 -8.811 4.952 134 3HB ALA 21 3HB ALA 21 7.744 -9.943 4.639 135 H GLU 22 H GLU 22 8.410 -6.856 2.033 136 HA GLU 22 HA GLU 22 6.261 -4.898 2.183 137 1HB GLU 22 2HB GLU 22 9.171 -4.736 1.371 138 1HG GLU 22 2HG GLU 22 7.874 -3.189 3.557 139 H VAL 23 H VAL 23 5.984 -3.494 0.150 140 HA VAL 23 HA VAL 23 6.518 -5.082 -2.270 141 HB VAL 23 HB VAL 23 4.422 -4.970 -3.148 142 1HG1 VAL 23 1HG1 VAL 23 3.764 -4.769 -0.229 143 2HG1 VAL 23 2HG1 VAL 23 2.729 -5.429 -1.494 144 3HG1 VAL 23 3HG1 VAL 23 4.242 -6.232 -1.088 145 1HG2 VAL 23 1HG2 VAL 23 4.099 -2.636 -3.287 146 2HG2 VAL 23 2HG2 VAL 23 2.682 -3.309 -2.478 147 3HG2 VAL 23 3HG2 VAL 23 3.930 -2.488 -1.542 148 H THR 24 H THR 24 7.125 -4.006 -4.040 149 HA THR 24 HA THR 24 7.978 -1.271 -3.779 150 HB THR 24 HB THR 24 7.984 -3.031 -6.241 151 HG1 THR 24 1HG THR 24 9.152 -3.964 -4.472 152 1HG2 THR 24 1HG2 THR 24 9.633 -0.601 -5.532 153 2HG2 THR 24 2HG2 THR 24 8.317 -0.645 -6.704 154 3HG2 THR 24 3HG2 THR 24 9.790 -1.568 -7.001 155 H MET 25 H MET 25 6.831 0.483 -4.347 156 HA MET 25 HA MET 25 4.635 0.152 -6.260 157 1HB MET 25 2HB MET 25 3.090 1.398 -4.932 158 1HG MET 25 2HG MET 25 5.292 1.785 -2.913 159 1HE MET 25 1HE MET 25 4.067 4.507 -1.761 160 2HE MET 25 2HE MET 25 3.240 3.900 -0.326 161 3HE MET 25 3HE MET 25 4.831 3.275 -0.758 162 H LYS 26 H LYS 26 4.351 1.777 -7.647 163 HA LYS 26 HA LYS 26 6.279 3.995 -7.568 164 1HB LYS 26 2HB LYS 26 6.284 2.746 -9.625 165 1HG LYS 26 2HG LYS 26 5.453 4.300 -11.342 166 1HD LYS 26 2HD LYS 26 6.818 6.222 -10.721 167 1HE LYS 26 2HE LYS 26 8.002 3.633 -9.732 168 1HZ LYS 26 1HZ LYS 26 9.215 5.791 -9.245 169 2HZ LYS 26 2HZ LYS 26 9.465 5.908 -10.918 170 3HZ LYS 26 3HZ LYS 26 10.084 4.581 -10.058 171 H LYS 27 H LYS 27 5.598 6.053 -7.228 172 HA LYS 27 HA LYS 27 3.050 6.507 -6.142 173 1HB LYS 27 2HB LYS 27 3.713 8.669 -5.705 174 1HG LYS 27 2HG LYS 27 4.035 9.342 -8.104 175 1HD LYS 27 2HD LYS 27 6.743 8.188 -7.533 176 1HE LYS 27 2HE LYS 27 6.083 10.165 -9.706 177 1HZ LYS 27 1HZ LYS 27 8.633 10.114 -9.772 178 2HZ LYS 27 2HZ LYS 27 7.785 8.844 -10.494 179 3HZ LYS 27 3HZ LYS 27 8.488 8.624 -8.968 180 H GLY 28 H GLY 28 1.299 7.662 -6.872 181 1HA GLY 28 1HA GLY 28 -0.010 8.677 -8.589 182 2HA GLY 28 2HA GLY 28 1.119 8.047 -9.782 183 H ASP 29 H ASP 29 1.087 5.415 -8.309 184 HA ASP 29 HA ASP 29 -1.146 4.264 -9.708 185 1HB ASP 29 2HB ASP 29 1.101 3.141 -8.065 186 H ILE 30 H ILE 30 -2.869 3.161 -8.822 187 HA ILE 30 HA ILE 30 -3.588 4.041 -6.106 188 HB ILE 30 HB ILE 30 -5.456 2.955 -8.217 189 1HG1 ILE 30 2HG1 ILE 30 -4.457 4.988 -9.107 190 1HG2 ILE 30 1HG2 ILE 30 -5.967 4.523 -5.691 191 2HG2 ILE 30 2HG2 ILE 30 -7.195 4.005 -6.847 192 3HG2 ILE 30 3HG2 ILE 30 -6.281 2.805 -5.934 193 1HD1 ILE 30 1HD1 ILE 30 -4.689 7.142 -8.002 194 2HD1 ILE 30 2HD1 ILE 30 -5.320 6.339 -6.564 195 3HD1 ILE 30 3HD1 ILE 30 -3.659 6.049 -7.077 196 H LEU 31 H LEU 31 -3.324 2.528 -4.586 197 HA LEU 31 HA LEU 31 -3.238 -0.291 -5.425 198 1HB LEU 31 2HB LEU 31 -2.531 0.489 -2.654 199 HG LEU 31 HG LEU 31 -1.238 2.221 -3.680 200 1HD1 LEU 31 1HD1 LEU 31 1.007 1.453 -3.184 201 2HD1 LEU 31 2HD1 LEU 31 -0.144 0.821 -2.003 202 3HD1 LEU 31 3HD1 LEU 31 0.463 -0.225 -3.288 203 1HD2 LEU 31 1HD2 LEU 31 -1.371 1.427 -6.010 204 2HD2 LEU 31 2HD2 LEU 31 0.278 1.842 -5.532 205 3HD2 LEU 31 3HD2 LEU 31 -0.219 0.152 -5.620 206 H THR 32 H THR 32 -4.261 -1.887 -4.012 207 HA THR 32 HA THR 32 -6.766 -0.907 -2.887 208 HB THR 32 HB THR 32 -5.787 -3.722 -3.406 209 HG1 THR 32 1HG THR 32 -7.014 -3.607 -5.209 210 1HG2 THR 32 1HG2 THR 32 -8.039 -4.464 -2.872 211 2HG2 THR 32 2HG2 THR 32 -8.536 -2.809 -2.513 212 3HG2 THR 32 3HG2 THR 32 -7.347 -3.626 -1.483 213 H LEU 33 H LEU 33 -7.158 -0.792 -0.760 214 HA LEU 33 HA LEU 33 -4.997 -1.306 1.066 215 1HB LEU 33 2HB LEU 33 -7.198 0.432 1.043 216 HG LEU 33 HG LEU 33 -5.275 1.300 2.016 217 1HD1 LEU 33 1HD1 LEU 33 -5.901 1.826 4.356 218 2HD1 LEU 33 2HD1 LEU 33 -7.202 2.084 3.190 219 3HD1 LEU 33 3HD1 LEU 33 -7.208 0.654 4.225 220 1HD2 LEU 33 1HD2 LEU 33 -5.237 -1.051 3.900 221 2HD2 LEU 33 2HD2 LEU 33 -4.147 -0.787 2.540 222 3HD2 LEU 33 3HD2 LEU 33 -4.110 0.306 3.925 223 H LEU 34 H LEU 34 -4.763 -2.979 2.349 224 HA LEU 34 HA LEU 34 -6.900 -4.999 2.443 225 1HB LEU 34 2HB LEU 34 -3.901 -5.288 2.475 226 HG LEU 34 HG LEU 34 -4.828 -4.949 0.208 227 1HD1 LEU 34 1HD1 LEU 34 -2.845 -6.331 0.552 228 2HD1 LEU 34 2HD1 LEU 34 -3.871 -7.753 0.737 229 3HD1 LEU 34 3HD1 LEU 34 -3.813 -6.904 -0.807 230 1HD2 LEU 34 1HD2 LEU 34 -7.058 -5.846 0.531 231 2HD2 LEU 34 2HD2 LEU 34 -6.237 -6.673 -0.793 232 3HD2 LEU 34 3HD2 LEU 34 -6.393 -7.462 0.779 233 H ASN 35 H ASN 35 -4.625 -3.103 4.254 234 HA ASN 35 HA ASN 35 -5.987 -3.776 6.717 235 1HB ASN 35 2HB ASN 35 -4.489 -5.411 7.200 236 1HD2 ASN 35 1HD2 ASN 35 -1.876 -3.111 6.812 237 2HD2 ASN 35 2HD2 ASN 35 -1.586 -2.894 8.502 238 H SER 36 H SER 36 -6.103 -2.035 8.023 239 HA SER 36 HA SER 36 -4.018 0.018 7.797 240 1HB SER 36 2HB SER 36 -5.923 1.703 8.164 241 HG SER 36 HG SER 36 -7.874 0.944 8.201 242 H THR 37 H THR 37 -5.086 -2.225 9.744 243 HA THR 37 HA THR 37 -5.720 -0.638 12.087 244 HB THR 37 HB THR 37 -6.911 -2.796 11.591 245 HG1 THR 37 1HG THR 37 -7.094 -2.129 13.673 246 1HG2 THR 37 1HG2 THR 37 -5.802 -4.898 12.189 247 2HG2 THR 37 2HG2 THR 37 -4.292 -4.030 12.457 248 3HG2 THR 37 3HG2 THR 37 -4.982 -4.114 10.837 249 H ASN 38 H ASN 38 -2.950 -1.810 10.589 250 HA ASN 38 HA ASN 38 -1.400 -1.932 13.065 251 1HB ASN 38 2HB ASN 38 -1.039 -3.621 11.222 252 1HD2 ASN 38 1HD2 ASN 38 1.554 -3.423 10.076 253 2HD2 ASN 38 2HD2 ASN 38 2.687 -3.409 11.389 254 H LYS 39 H LYS 39 -0.543 -0.155 13.842 255 HA LYS 39 HA LYS 39 -0.832 2.336 12.582 256 1HB LYS 39 2HB LYS 39 0.314 3.302 14.469 257 1HG LYS 39 2HG LYS 39 1.096 0.537 15.390 258 1HD LYS 39 2HD LYS 39 1.839 3.228 16.504 259 1HE LYS 39 2HE LYS 39 2.036 0.454 17.672 260 1HZ LYS 39 1HZ LYS 39 3.326 2.932 18.649 261 2HZ LYS 39 2HZ LYS 39 3.161 1.447 19.451 262 3HZ LYS 39 3HZ LYS 39 1.804 2.432 19.206 263 H ASP 40 H ASP 40 1.664 0.036 12.223 264 HA ASP 40 HA ASP 40 3.526 2.090 11.249 265 1HB ASP 40 2HB ASP 40 3.915 -0.677 12.317 266 H TRP 41 H TRP 41 2.669 -1.252 10.394 267 HA TRP 41 HA TRP 41 3.274 -0.579 7.605 268 1HB TRP 41 2HB TRP 41 3.362 -3.213 9.079 269 HD1 TRP 41 HD TRP 41 5.389 -2.538 10.634 270 HE1 TRP 41 1HE TRP 41 7.848 -1.961 10.154 271 HE3 TRP 41 3HE TRP 41 5.097 -1.899 5.577 272 HZ2 TRP 41 2HZ TRP 41 9.453 -1.317 7.926 273 HZ3 TRP 41 3HZ TRP 41 7.142 -1.296 4.345 274 HH2 TRP 41 HH TRP 41 9.275 -1.011 5.497 275 H TRP 42 H TRP 42 1.572 -0.272 6.380 276 HA TRP 42 HA TRP 42 -0.939 -1.635 6.939 277 1HB TRP 42 2HB TRP 42 -0.113 0.518 5.012 278 HD1 TRP 42 HD TRP 42 -0.980 0.064 8.444 279 HE1 TRP 42 1HE TRP 42 -2.270 2.079 9.399 280 HE3 TRP 42 3HE TRP 42 -2.338 2.236 4.073 281 HZ2 TRP 42 2HZ TRP 42 -3.685 4.319 8.399 282 HZ3 TRP 42 3HZ TRP 42 -3.656 4.327 4.126 283 HH2 TRP 42 HH TRP 42 -4.316 5.344 6.254 284 H LYS 43 H LYS 43 -2.067 -2.695 5.078 285 HA LYS 43 HA LYS 43 -0.106 -4.225 3.489 286 1HB LYS 43 2HB LYS 43 -1.528 -5.434 5.309 287 1HG LYS 43 2HG LYS 43 -1.629 -6.526 2.516 288 1HD LYS 43 2HD LYS 43 -1.477 -7.910 5.199 289 1HE LYS 43 2HE LYS 43 -1.908 -9.946 3.948 290 1HZ LYS 43 1HZ LYS 43 0.408 -9.420 4.239 291 2HZ LYS 43 2HZ LYS 43 0.409 -8.462 2.840 292 3HZ LYS 43 3HZ LYS 43 0.176 -10.134 2.718 293 H VAL 44 H VAL 44 -0.296 -4.077 1.360 294 HA VAL 44 HA VAL 44 -2.840 -3.158 0.223 295 HB VAL 44 HB VAL 44 -1.589 -1.651 -1.331 296 1HG1 VAL 44 1HG1 VAL 44 -1.358 -0.964 1.599 297 2HG1 VAL 44 2HG1 VAL 44 -1.329 0.187 0.262 298 3HG1 VAL 44 3HG1 VAL 44 -2.789 -0.745 0.592 299 1HG2 VAL 44 1HG2 VAL 44 0.691 -2.118 0.594 300 2HG2 VAL 44 2HG2 VAL 44 0.624 -2.644 -1.090 301 3HG2 VAL 44 3HG2 VAL 44 0.666 -0.923 -0.706 302 H GLU 45 H GLU 45 -3.062 -3.609 -2.046 303 HA GLU 45 HA GLU 45 -1.281 -5.772 -2.952 304 1HB GLU 45 2HB GLU 45 -3.627 -6.467 -2.695 305 1HG GLU 45 2HG GLU 45 -2.649 -6.277 -5.537 306 H VAL 46 H VAL 46 0.070 -5.249 -4.489 307 HA VAL 46 HA VAL 46 -0.769 -3.370 -6.583 308 HB VAL 46 HB VAL 46 2.094 -3.300 -5.874 309 1HG1 VAL 46 1HG1 VAL 46 1.650 -0.810 -6.225 310 2HG1 VAL 46 2HG1 VAL 46 1.496 -1.880 -7.622 311 3HG1 VAL 46 3HG1 VAL 46 0.054 -1.314 -6.779 312 1HG2 VAL 46 1HG2 VAL 46 0.068 -1.972 -4.097 313 2HG2 VAL 46 2HG2 VAL 46 1.194 -3.250 -3.637 314 3HG2 VAL 46 3HG2 VAL 46 1.804 -1.654 -4.076 315 H ASN 47 H ASN 47 -0.229 -4.053 -8.587 316 HA ASN 47 HA ASN 47 0.225 -5.473 -10.240 317 1HB ASN 47 2HB ASN 47 2.514 -6.414 -10.443 318 1HD2 ASN 47 1HD2 ASN 47 3.481 -3.955 -8.271 319 2HD2 ASN 47 2HD2 ASN 47 4.386 -4.970 -7.192 320 H ASP 48 H ASP 48 1.892 -7.499 -7.853 321 HA ASP 48 HA ASP 48 -0.311 -9.380 -7.861 322 1HB ASP 48 2HB ASP 48 2.030 -9.728 -9.515 323 H ARG 49 H ARG 49 1.591 -7.618 -6.134 324 HA ARG 49 HA ARG 49 2.375 -9.727 -4.249 325 1HB ARG 49 2HB ARG 49 4.245 -8.518 -5.433 326 1HG ARG 49 2HG ARG 49 4.681 -7.568 -2.717 327 1HD ARG 49 2HD ARG 49 6.600 -9.172 -2.901 328 HE ARG 49 HE ARG 49 7.116 -6.964 -3.722 329 1HH1 ARG 49 2HH1 ARG 49 6.126 -9.222 -6.220 330 2HH1 ARG 49 1HH1 ARG 49 6.990 -8.398 -7.485 331 1HH2 ARG 49 2HH2 ARG 49 8.258 -5.906 -5.343 332 2HH2 ARG 49 1HH2 ARG 49 8.223 -6.503 -6.978 333 H GLN 50 H GLN 50 0.931 -9.714 -2.651 334 HA GLN 50 HA GLN 50 -0.120 -7.156 -1.670 335 1HB GLN 50 2HB GLN 50 -0.872 -9.935 -0.727 336 1HG GLN 50 2HG GLN 50 -2.412 -8.377 -2.785 337 1HE2 GLN 50 1HE2 GLN 50 -4.210 -9.488 -3.578 338 2HE2 GLN 50 2HE2 GLN 50 -4.906 -10.829 -2.718 339 H GLY 51 H GLY 51 1.343 -6.248 -0.372 340 1HA GLY 51 1HA GLY 51 2.365 -7.846 1.875 341 2HA GLY 51 2HA GLY 51 3.499 -6.972 0.853 342 H PHE 52 H PHE 52 4.212 -5.727 2.602 343 HA PHE 52 HA PHE 52 2.202 -3.921 3.752 344 1HB PHE 52 2HB PHE 52 4.845 -4.899 4.823 345 HD1 PHE 52 1HD PHE 52 1.501 -4.077 6.231 346 HD2 PHE 52 2HD PHE 52 4.445 -7.062 5.506 347 HE1 PHE 52 1HE PHE 52 0.180 -5.691 7.535 348 HE2 PHE 52 2HE PHE 52 3.133 -8.682 6.805 349 HZ PHE 52 HZ PHE 52 1.002 -7.976 7.860 350 H VAL 53 H VAL 53 2.523 -1.781 3.902 351 HA VAL 53 HA VAL 53 5.014 -0.595 2.882 352 HB VAL 53 HB VAL 53 3.718 1.242 1.825 353 1HG1 VAL 53 1HG1 VAL 53 4.614 -0.546 0.455 354 2HG1 VAL 53 2HG1 VAL 53 3.145 -1.491 0.711 355 3HG1 VAL 53 3HG1 VAL 53 3.072 0.024 -0.190 356 1HG2 VAL 53 1HG2 VAL 53 1.345 -0.558 2.292 357 2HG2 VAL 53 2HG2 VAL 53 1.633 1.011 3.044 358 3HG2 VAL 53 3HG2 VAL 53 1.344 0.905 1.307 359 HA PRO 54 HA PRO 54 4.686 1.959 6.516 360 1HB PRO 54 2HB PRO 54 5.551 4.368 5.505 361 1HG PRO 54 2HG PRO 54 5.728 3.808 3.275 362 1HD PRO 54 2HD PRO 54 5.581 1.624 2.551 363 H ALA 55 H ALA 55 2.972 2.911 7.395 364 HA ALA 55 HA ALA 55 0.698 3.593 5.861 365 1HB ALA 55 1HB ALA 55 -0.312 4.180 7.980 366 2HB ALA 55 2HB ALA 55 0.610 2.685 8.134 367 3HB ALA 55 3HB ALA 55 1.272 4.195 8.757 368 H ALA 56 H ALA 56 3.440 5.361 6.190 369 HA ALA 56 HA ALA 56 2.019 7.936 6.108 370 1HB ALA 56 1HB ALA 56 4.919 7.392 6.740 371 2HB ALA 56 2HB ALA 56 4.129 8.968 6.753 372 3HB ALA 56 3HB ALA 56 3.652 7.734 7.919 373 H TYR 57 H TYR 57 2.777 5.794 3.976 374 HA TYR 57 HA TYR 57 4.060 7.675 2.103 375 1HB TYR 57 2HB TYR 57 4.495 4.797 2.572 376 HD1 TYR 57 1HD TYR 57 6.626 5.161 0.155 377 HD2 TYR 57 2HD TYR 57 5.793 7.143 3.823 378 HE1 TYR 57 1HE TYR 57 8.964 5.916 0.269 379 HE2 TYR 57 2HE TYR 57 8.128 7.902 3.950 380 HH TYR 57 HH TYR 57 10.289 7.659 1.302 381 H VAL 58 H VAL 58 1.284 5.793 2.733 382 HA VAL 58 HA VAL 58 0.311 6.357 0.021 383 HB VAL 58 HB VAL 58 -1.381 4.605 0.376 384 1HG1 VAL 58 1HG1 VAL 58 0.718 4.048 -0.733 385 2HG1 VAL 58 2HG1 VAL 58 1.455 3.679 0.829 386 3HG1 VAL 58 3HG1 VAL 58 0.132 2.683 0.218 387 1HG2 VAL 58 1HG2 VAL 58 -1.524 4.709 2.818 388 2HG2 VAL 58 2HG2 VAL 58 -1.197 3.067 2.267 389 3HG2 VAL 58 3HG2 VAL 58 0.106 4.042 2.943 390 H LYS 59 H LYS 59 -1.736 7.248 -0.227 391 HA LYS 59 HA LYS 59 -2.710 8.685 2.156 392 1HB LYS 59 2HB LYS 59 -1.827 10.126 0.357 393 1HG LYS 59 2HG LYS 59 -4.815 10.287 0.661 394 1HD LYS 59 2HD LYS 59 -2.863 12.320 -0.419 395 1HE LYS 59 2HE LYS 59 -4.900 13.702 -0.754 396 1HZ LYS 59 1HZ LYS 59 -3.568 14.242 1.121 397 2HZ LYS 59 2HZ LYS 59 -4.210 12.972 2.041 398 3HZ LYS 59 3HZ LYS 59 -5.186 14.294 1.626 399 H LYS 60 H LYS 60 -4.859 8.628 2.650 400 HA LYS 60 HA LYS 60 -6.411 6.473 1.585 401 1HB LYS 60 2HB LYS 60 -7.188 8.741 3.431 402 1HG LYS 60 2HG LYS 60 -5.594 6.864 4.246 403 1HD LYS 60 2HD LYS 60 -6.720 4.921 3.434 404 1HE LYS 60 2HE LYS 60 -9.150 5.848 4.953 405 1HZ LYS 60 1HZ LYS 60 -10.270 4.015 3.916 406 2HZ LYS 60 2HZ LYS 60 -8.965 3.441 4.840 407 3HZ LYS 60 3HZ LYS 60 -8.839 3.526 3.154 408 H LEU 61 H LEU 61 -7.204 6.604 -0.430 409 HA LEU 61 HA LEU 61 -8.390 9.092 -1.375 410 1HB LEU 61 2HB LEU 61 -8.249 6.324 -2.592 411 HG LEU 61 HG LEU 61 -6.056 7.560 -2.658 412 1HD1 LEU 61 1HD1 LEU 61 -5.713 7.203 -5.048 413 2HD1 LEU 61 2HD1 LEU 61 -6.649 5.890 -4.333 414 3HD1 LEU 61 3HD1 LEU 61 -7.456 7.129 -5.296 415 1HD2 LEU 61 1HD2 LEU 61 -6.798 9.844 -2.797 416 2HD2 LEU 61 2HD2 LEU 61 -5.911 9.446 -4.263 417 3HD2 LEU 61 3HD2 LEU 61 -7.672 9.518 -4.294 418 H ASP 62 H ASP 62 -9.172 7.233 0.909 419 HA ASP 62 HA ASP 62 -11.992 6.778 0.243 420 1HB ASP 62 2HB ASP 62 -10.869 4.711 0.737 Start of MODEL 4 1 1H MET 1 1H MET 1 -7.146 -10.189 -5.198 2 2H MET 1 2H MET 1 -5.796 -9.517 -4.419 3 3H MET 1 3H MET 1 -7.348 -9.326 -3.752 4 HA MET 1 HA MET 1 -6.026 -11.944 -4.155 5 1HB MET 1 2HB MET 1 -5.304 -11.977 -1.917 6 1HG MET 1 2HG MET 1 -6.701 -9.371 -1.362 7 1HE MET 1 1HE MET 1 -7.084 -8.887 1.345 8 2HE MET 1 2HE MET 1 -7.436 -10.586 1.654 9 3HE MET 1 3HE MET 1 -6.197 -9.757 2.597 10 H ASP 2 H ASP 2 -8.706 -10.042 -2.855 11 HA ASP 2 HA ASP 2 -10.575 -12.107 -2.934 12 1HB ASP 2 2HB ASP 2 -9.879 -13.373 -1.165 13 H GLU 3 H GLU 3 -9.538 -9.073 -1.516 14 HA GLU 3 HA GLU 3 -10.491 -7.079 -1.432 15 1HB GLU 3 2HB GLU 3 -12.251 -8.403 -3.461 16 1HG GLU 3 2HG GLU 3 -11.134 -6.807 -4.979 17 H THR 4 H THR 4 -11.785 -9.369 0.410 18 HA THR 4 HA THR 4 -14.090 -7.888 1.262 19 HB THR 4 HB THR 4 -12.383 -9.488 3.196 20 HG1 THR 4 1HG THR 4 -14.507 -10.803 2.044 21 1HG2 THR 4 1HG2 THR 4 -15.351 -8.932 3.017 22 2HG2 THR 4 2HG2 THR 4 -14.223 -8.184 4.149 23 3HG2 THR 4 3HG2 THR 4 -14.557 -9.913 4.249 24 H GLY 5 H GLY 5 -11.048 -6.847 0.985 25 1HA GLY 5 1HA GLY 5 -11.562 -4.611 2.780 26 2HA GLY 5 2HA GLY 5 -9.998 -5.421 2.885 27 H LYS 6 H LYS 6 -11.302 -2.762 1.657 28 HA LYS 6 HA LYS 6 -9.648 -2.859 -0.749 29 1HB LYS 6 2HB LYS 6 -11.931 -3.280 -1.442 30 1HG LYS 6 2HG LYS 6 -12.211 -1.669 -3.113 31 1HD LYS 6 2HD LYS 6 -9.925 -1.209 -3.963 32 1HE LYS 6 2HE LYS 6 -9.289 -3.572 -4.212 33 1HZ LYS 6 1HZ LYS 6 -11.286 -2.552 -5.409 34 2HZ LYS 6 2HZ LYS 6 -12.244 -3.465 -4.348 35 3HZ LYS 6 3HZ LYS 6 -11.161 -4.240 -5.395 36 H GLU 7 H GLU 7 -11.763 -0.267 0.118 37 HA GLU 7 HA GLU 7 -11.456 1.823 0.937 38 1HB GLU 7 2HB GLU 7 -9.007 0.508 2.009 39 1HG GLU 7 2HG GLU 7 -11.163 2.174 3.262 40 H LEU 8 H LEU 8 -8.795 0.545 -0.974 41 HA LEU 8 HA LEU 8 -7.503 1.369 -2.624 42 1HB LEU 8 2HB LEU 8 -9.685 3.441 -2.787 43 HG LEU 8 HG LEU 8 -10.339 1.157 -3.540 44 1HD1 LEU 8 1HD1 LEU 8 -11.194 1.877 -5.730 45 2HD1 LEU 8 2HD1 LEU 8 -11.404 3.119 -4.496 46 3HD1 LEU 8 3HD1 LEU 8 -10.109 3.265 -5.686 47 1HD2 LEU 8 1HD2 LEU 8 -8.217 0.316 -4.316 48 2HD2 LEU 8 2HD2 LEU 8 -9.345 0.346 -5.669 49 3HD2 LEU 8 3HD2 LEU 8 -8.108 1.595 -5.525 50 H VAL 9 H VAL 9 -5.565 2.181 -2.272 51 HA VAL 9 HA VAL 9 -5.409 4.808 -0.963 52 HB VAL 9 HB VAL 9 -3.068 4.050 -0.194 53 1HG1 VAL 9 1HG1 VAL 9 -4.008 3.073 1.873 54 2HG1 VAL 9 2HG1 VAL 9 -4.840 4.540 1.357 55 3HG1 VAL 9 3HG1 VAL 9 -5.574 2.962 1.071 56 1HG2 VAL 9 1HG2 VAL 9 -2.948 1.970 -1.440 57 2HG2 VAL 9 2HG2 VAL 9 -2.877 1.652 0.298 58 3HG2 VAL 9 3HG2 VAL 9 -4.372 1.360 -0.594 59 H LEU 10 H LEU 10 -3.918 6.225 -1.671 60 HA LEU 10 HA LEU 10 -2.889 5.691 -4.357 61 1HB LEU 10 2HB LEU 10 -4.184 7.566 -4.537 62 HG LEU 10 HG LEU 10 -1.503 8.636 -3.772 63 1HD1 LEU 10 1HD1 LEU 10 -1.381 9.145 -6.152 64 2HD1 LEU 10 2HD1 LEU 10 -1.692 7.431 -5.875 65 3HD1 LEU 10 3HD1 LEU 10 -3.006 8.494 -6.373 66 1HD2 LEU 10 1HD2 LEU 10 -3.880 10.230 -4.707 67 2HD2 LEU 10 2HD2 LEU 10 -3.131 10.317 -3.111 68 3HD2 LEU 10 3HD2 LEU 10 -2.230 10.836 -4.536 69 H ALA 11 H ALA 11 -0.774 5.364 -4.601 70 HA ALA 11 HA ALA 11 1.057 5.636 -2.438 71 1HB ALA 11 1HB ALA 11 1.267 3.912 -4.204 72 2HB ALA 11 2HB ALA 11 1.650 5.183 -5.366 73 3HB ALA 11 3HB ALA 11 2.738 4.873 -4.012 74 H LEU 12 H LEU 12 1.923 7.494 -1.756 75 HA LEU 12 HA LEU 12 1.796 9.868 -3.420 76 1HB LEU 12 2HB LEU 12 2.951 9.496 -0.650 77 HG LEU 12 HG LEU 12 0.516 9.064 -0.638 78 1HD1 LEU 12 1HD1 LEU 12 1.331 11.708 0.550 79 2HD1 LEU 12 2HD1 LEU 12 -0.066 10.746 1.036 80 3HD1 LEU 12 3HD1 LEU 12 1.565 10.120 1.280 81 1HD2 LEU 12 1HD2 LEU 12 -0.073 10.359 -2.634 82 2HD2 LEU 12 2HD2 LEU 12 -1.038 10.843 -1.240 83 3HD2 LEU 12 3HD2 LEU 12 0.306 11.852 -1.775 84 H TYR 13 H TYR 13 4.229 7.763 -2.055 85 HA TYR 13 HA TYR 13 6.273 9.185 -3.608 86 1HB TYR 13 2HB TYR 13 6.899 7.789 -1.017 87 HD1 TYR 13 1HD TYR 13 5.973 8.419 0.960 88 HD2 TYR 13 2HD TYR 13 6.224 11.311 -2.135 89 HE1 TYR 13 1HE TYR 13 4.940 10.081 2.444 90 HE2 TYR 13 2HE TYR 13 5.201 12.988 -0.665 91 HH TYR 13 HH TYR 13 4.597 12.333 2.728 92 H ASP 14 H ASP 14 7.901 7.813 -4.525 93 HA ASP 14 HA ASP 14 7.011 5.167 -5.121 94 1HB ASP 14 2HB ASP 14 9.017 4.969 -6.444 95 H TYR 15 H TYR 15 7.730 3.222 -4.318 96 HA TYR 15 HA TYR 15 9.461 3.401 -1.946 97 1HB TYR 15 2HB TYR 15 7.053 3.348 -1.298 98 HD1 TYR 15 1HD TYR 15 9.087 3.425 0.478 99 HD2 TYR 15 2HD TYR 15 7.049 -0.078 -0.794 100 HE1 TYR 15 1HE TYR 15 9.789 2.276 2.529 101 HE2 TYR 15 2HE TYR 15 7.752 -1.242 1.235 102 HH TYR 15 HH TYR 15 9.086 0.366 3.923 103 H GLN 16 H GLN 16 11.077 2.037 -1.999 104 HA GLN 16 HA GLN 16 10.830 -0.392 -3.620 105 1HB GLN 16 2HB GLN 16 12.756 1.073 -4.113 106 1HG GLN 16 2HG GLN 16 14.494 -0.516 -4.129 107 1HE2 GLN 16 1HE2 GLN 16 12.100 -2.778 -3.074 108 2HE2 GLN 16 2HE2 GLN 16 11.581 -3.289 -4.649 109 H GLU 17 H GLU 17 10.088 -2.029 -2.512 110 HA GLU 17 HA GLU 17 9.969 -2.459 0.190 111 1HB GLU 17 2HB GLU 17 9.652 -4.822 -0.328 112 1HG GLU 17 2HG GLU 17 10.802 -4.141 -3.015 113 H LYS 18 H LYS 18 11.338 -3.061 1.773 114 HA LYS 18 HA LYS 18 14.129 -3.579 1.006 115 1HB LYS 18 2HB LYS 18 12.913 -2.859 3.692 116 1HG LYS 18 2HG LYS 18 14.943 -1.310 2.082 117 1HD LYS 18 2HD LYS 18 13.388 -0.584 4.558 118 1HE LYS 18 2HE LYS 18 15.524 0.872 3.008 119 1HZ LYS 18 1HZ LYS 18 15.773 1.115 5.426 120 2HZ LYS 18 2HZ LYS 18 14.179 1.688 5.530 121 3HZ LYS 18 3HZ LYS 18 15.346 2.573 4.675 122 H SER 19 H SER 19 11.399 -5.286 1.758 123 HA SER 19 HA SER 19 12.931 -7.701 2.222 124 1HB SER 19 2HB SER 19 11.598 -8.346 4.198 125 HG SER 19 HG SER 19 10.588 -5.692 4.222 126 HA PRO 20 HA PRO 20 9.833 -9.327 -0.513 127 1HB PRO 20 2HB PRO 20 9.512 -11.872 0.482 128 1HG PRO 20 2HG PRO 20 10.801 -11.674 2.393 129 1HD PRO 20 2HD PRO 20 12.244 -9.901 2.730 130 H ALA 21 H ALA 21 9.205 -8.912 2.789 131 HA ALA 21 HA ALA 21 6.415 -9.712 2.624 132 1HB ALA 21 1HB ALA 21 6.273 -8.983 4.951 133 2HB ALA 21 2HB ALA 21 7.636 -10.076 4.719 134 3HB ALA 21 3HB ALA 21 7.912 -8.341 4.860 135 H GLU 22 H GLU 22 8.347 -7.044 1.939 136 HA GLU 22 HA GLU 22 6.162 -5.100 2.079 137 1HB GLU 22 2HB GLU 22 9.103 -4.862 1.428 138 1HG GLU 22 2HG GLU 22 7.638 -3.382 3.556 139 H VAL 23 H VAL 23 6.041 -3.644 0.028 140 HA VAL 23 HA VAL 23 6.565 -5.282 -2.363 141 HB VAL 23 HB VAL 23 4.502 -4.983 -3.317 142 1HG1 VAL 23 1HG1 VAL 23 4.237 -6.402 -1.391 143 2HG1 VAL 23 2HG1 VAL 23 3.857 -5.002 -0.390 144 3HG1 VAL 23 3HG1 VAL 23 2.769 -5.474 -1.691 145 1HG2 VAL 23 1HG2 VAL 23 4.046 -2.630 -1.513 146 2HG2 VAL 23 2HG2 VAL 23 4.338 -2.603 -3.250 147 3HG2 VAL 23 3HG2 VAL 23 2.843 -3.290 -2.616 148 H THR 24 H THR 24 7.142 -4.217 -4.204 149 HA THR 24 HA THR 24 8.117 -1.511 -3.934 150 HB THR 24 HB THR 24 8.071 -3.233 -6.423 151 HG1 THR 24 1HG THR 24 9.187 -4.147 -4.495 152 1HG2 THR 24 1HG2 THR 24 9.776 -0.873 -5.626 153 2HG2 THR 24 2HG2 THR 24 8.526 -0.889 -6.869 154 3HG2 THR 24 3HG2 THR 24 9.996 -1.838 -7.082 155 H MET 25 H MET 25 6.995 0.271 -4.483 156 HA MET 25 HA MET 25 4.790 0.001 -6.404 157 1HB MET 25 2HB MET 25 3.258 1.236 -5.042 158 1HG MET 25 2HG MET 25 5.446 1.498 -2.991 159 1HE MET 25 1HE MET 25 5.005 2.969 -0.814 160 2HE MET 25 2HE MET 25 4.314 4.248 -1.811 161 3HE MET 25 3HE MET 25 3.433 3.652 -0.403 162 H LYS 26 H LYS 26 4.323 1.869 -7.580 163 HA LYS 26 HA LYS 26 6.308 4.016 -7.327 164 1HB LYS 26 2HB LYS 26 4.817 2.899 -9.679 165 1HG LYS 26 2HG LYS 26 7.214 2.245 -9.088 166 1HD LYS 26 2HD LYS 26 7.739 4.973 -10.277 167 1HE LYS 26 2HE LYS 26 10.073 4.471 -9.883 168 1HZ LYS 26 1HZ LYS 26 9.086 3.694 -12.003 169 2HZ LYS 26 2HZ LYS 26 8.872 2.160 -11.311 170 3HZ LYS 26 3HZ LYS 26 10.432 2.790 -11.515 171 H LYS 27 H LYS 27 5.659 6.066 -7.029 172 HA LYS 27 HA LYS 27 3.156 6.575 -5.920 173 1HB LYS 27 2HB LYS 27 3.846 8.756 -5.617 174 1HG LYS 27 2HG LYS 27 4.088 9.312 -8.037 175 1HD LYS 27 2HD LYS 27 6.910 8.338 -7.588 176 1HE LYS 27 2HE LYS 27 5.673 9.796 -9.916 177 1HZ LYS 27 1HZ LYS 27 7.218 8.161 -10.709 178 2HZ LYS 27 2HZ LYS 27 8.397 8.658 -9.595 179 3HZ LYS 27 3HZ LYS 27 7.918 9.702 -10.848 180 H GLY 28 H GLY 28 1.340 7.610 -6.645 181 1HA GLY 28 1HA GLY 28 -0.015 8.615 -8.330 182 2HA GLY 28 2HA GLY 28 1.096 7.999 -9.547 183 H ASP 29 H ASP 29 1.183 5.348 -8.252 184 HA ASP 29 HA ASP 29 -0.989 4.170 -9.666 185 1HB ASP 29 2HB ASP 29 1.155 3.069 -7.858 186 H ILE 30 H ILE 30 -2.782 3.090 -8.890 187 HA ILE 30 HA ILE 30 -3.634 3.847 -6.186 188 HB ILE 30 HB ILE 30 -5.323 2.675 -8.402 189 1HG1 ILE 30 2HG1 ILE 30 -4.458 4.807 -9.171 190 1HG2 ILE 30 1HG2 ILE 30 -6.240 2.365 -6.169 191 2HG2 ILE 30 2HG2 ILE 30 -6.089 4.094 -5.853 192 3HG2 ILE 30 3HG2 ILE 30 -7.208 3.519 -7.088 193 1HD1 ILE 30 1HD1 ILE 30 -4.799 6.886 -8.016 194 2HD1 ILE 30 2HD1 ILE 30 -5.546 6.043 -6.659 195 3HD1 ILE 30 3HD1 ILE 30 -3.837 5.799 -7.015 196 H LEU 31 H LEU 31 -3.419 2.351 -4.643 197 HA LEU 31 HA LEU 31 -3.164 -0.463 -5.478 198 1HB LEU 31 2HB LEU 31 -2.477 0.330 -2.714 199 HG LEU 31 HG LEU 31 -1.298 2.149 -3.728 200 1HD1 LEU 31 1HD1 LEU 31 0.960 1.552 -3.142 201 2HD1 LEU 31 2HD1 LEU 31 -0.166 0.781 -2.022 202 3HD1 LEU 31 3HD1 LEU 31 0.577 -0.163 -3.315 203 1HD2 LEU 31 1HD2 LEU 31 0.281 1.880 -5.538 204 2HD2 LEU 31 2HD2 LEU 31 -0.087 0.156 -5.639 205 3HD2 LEU 31 3HD2 LEU 31 -1.319 1.347 -6.061 206 H THR 32 H THR 32 -4.103 -2.092 -4.046 207 HA THR 32 HA THR 32 -6.616 -1.227 -2.852 208 HB THR 32 HB THR 32 -5.478 -3.994 -3.296 209 HG1 THR 32 1HG THR 32 -6.321 -3.694 -5.207 210 1HG2 THR 32 1HG2 THR 32 -6.975 -3.869 -1.305 211 2HG2 THR 32 2HG2 THR 32 -7.616 -4.875 -2.607 212 3HG2 THR 32 3HG2 THR 32 -8.256 -3.247 -2.355 213 H LEU 33 H LEU 33 -6.961 -1.094 -0.696 214 HA LEU 33 HA LEU 33 -4.676 -1.527 1.027 215 1HB LEU 33 2HB LEU 33 -6.599 0.445 0.914 216 HG LEU 33 HG LEU 33 -4.589 1.053 1.918 217 1HD1 LEU 33 1HD1 LEU 33 -5.253 1.912 4.111 218 2HD1 LEU 33 2HD1 LEU 33 -6.477 2.175 2.872 219 3HD1 LEU 33 3HD1 LEU 33 -6.688 0.889 4.057 220 1HD2 LEU 33 1HD2 LEU 33 -3.834 -1.123 2.672 221 2HD2 LEU 33 2HD2 LEU 33 -3.723 0.053 3.983 222 3HD2 LEU 33 3HD2 LEU 33 -5.042 -1.117 3.958 223 H LEU 34 H LEU 34 -4.482 -3.240 2.201 224 HA LEU 34 HA LEU 34 -6.733 -5.085 2.484 225 1HB LEU 34 2HB LEU 34 -3.751 -5.449 2.714 226 HG LEU 34 HG LEU 34 -4.470 -5.185 0.384 227 1HD1 LEU 34 1HD1 LEU 34 -3.572 -7.288 -0.478 228 2HD1 LEU 34 2HD1 LEU 34 -2.625 -6.680 0.879 229 3HD1 LEU 34 3HD1 LEU 34 -3.751 -8.016 1.117 230 1HD2 LEU 34 1HD2 LEU 34 -6.778 -5.868 0.539 231 2HD2 LEU 34 2HD2 LEU 34 -5.943 -6.880 -0.636 232 3HD2 LEU 34 3HD2 LEU 34 -6.301 -7.509 0.972 233 H ASN 35 H ASN 35 -4.444 -3.192 4.300 234 HA ASN 35 HA ASN 35 -5.930 -3.733 6.736 235 1HB ASN 35 2HB ASN 35 -4.432 -5.310 7.363 236 1HD2 ASN 35 1HD2 ASN 35 -1.816 -3.034 6.911 237 2HD2 ASN 35 2HD2 ASN 35 -1.574 -2.708 8.589 238 H SER 36 H SER 36 -6.258 -1.899 7.767 239 HA SER 36 HA SER 36 -4.151 0.144 7.725 240 1HB SER 36 2HB SER 36 -6.088 1.829 7.793 241 HG SER 36 HG SER 36 -7.824 0.555 6.346 242 H THR 37 H THR 37 -5.421 -2.027 9.589 243 HA THR 37 HA THR 37 -6.207 -0.407 11.854 244 HB THR 37 HB THR 37 -7.397 -2.495 11.529 245 HG1 THR 37 1HG THR 37 -6.252 -3.443 13.731 246 1HG2 THR 37 1HG2 THR 37 -5.664 -3.802 10.414 247 2HG2 THR 37 2HG2 THR 37 -6.282 -4.671 11.821 248 3HG2 THR 37 3HG2 THR 37 -4.723 -3.851 11.905 249 H ASN 38 H ASN 38 -3.368 -1.943 10.626 250 HA ASN 38 HA ASN 38 -1.880 -1.761 13.079 251 1HB ASN 38 2HB ASN 38 -1.337 -3.358 11.174 252 1HD2 ASN 38 1HD2 ASN 38 1.258 -3.013 10.185 253 2HD2 ASN 38 2HD2 ASN 38 2.334 -2.981 11.545 254 H LYS 39 H LYS 39 -0.586 -0.079 13.744 255 HA LYS 39 HA LYS 39 -1.274 2.464 12.580 256 1HB LYS 39 2HB LYS 39 -0.432 3.458 14.526 257 1HG LYS 39 2HG LYS 39 1.197 0.985 15.071 258 1HD LYS 39 2HD LYS 39 0.772 3.519 16.629 259 1HE LYS 39 2HE LYS 39 3.143 3.109 16.569 260 1HZ LYS 39 1HZ LYS 39 3.979 0.962 17.506 261 2HZ LYS 39 2HZ LYS 39 3.331 0.871 15.939 262 3HZ LYS 39 3HZ LYS 39 2.424 0.323 17.267 263 H ASP 40 H ASP 40 1.240 0.276 12.068 264 HA ASP 40 HA ASP 40 3.051 2.436 11.205 265 1HB ASP 40 2HB ASP 40 3.715 -0.334 12.221 266 H TRP 41 H TRP 41 2.748 -1.034 10.514 267 HA TRP 41 HA TRP 41 3.322 -0.446 7.716 268 1HB TRP 41 2HB TRP 41 3.369 -3.001 9.319 269 HD1 TRP 41 HD TRP 41 5.431 -2.320 10.802 270 HE1 TRP 41 1HE TRP 41 7.897 -1.790 10.271 271 HE3 TRP 41 3HE TRP 41 5.081 -1.845 5.724 272 HZ2 TRP 41 2HZ TRP 41 9.469 -1.230 8.006 273 HZ3 TRP 41 3HZ TRP 41 7.119 -1.309 4.455 274 HH2 TRP 41 HH TRP 41 9.264 -1.008 5.572 275 H TRP 42 H TRP 42 1.711 -0.243 6.366 276 HA TRP 42 HA TRP 42 -0.834 -1.565 6.924 277 1HB TRP 42 2HB TRP 42 -0.002 0.604 5.013 278 HD1 TRP 42 HD TRP 42 -0.792 0.142 8.448 279 HE1 TRP 42 1HE TRP 42 -2.095 2.123 9.441 280 HE3 TRP 42 3HE TRP 42 -2.302 2.308 4.117 281 HZ2 TRP 42 2HZ TRP 42 -3.563 4.351 8.490 282 HZ3 TRP 42 3HZ TRP 42 -3.649 4.381 4.216 283 HH2 TRP 42 HH TRP 42 -4.265 5.383 6.374 284 H LYS 43 H LYS 43 -1.894 -2.741 5.194 285 HA LYS 43 HA LYS 43 0.091 -4.236 3.608 286 1HB LYS 43 2HB LYS 43 -1.445 -5.384 5.437 287 1HG LYS 43 2HG LYS 43 -1.248 -6.613 2.700 288 1HD LYS 43 2HD LYS 43 -1.329 -7.866 5.448 289 1HE LYS 43 2HE LYS 43 -1.761 -9.953 4.122 290 1HZ LYS 43 1HZ LYS 43 0.532 -10.351 3.561 291 2HZ LYS 43 2HZ LYS 43 0.447 -9.509 5.024 292 3HZ LYS 43 3HZ LYS 43 0.881 -8.697 3.605 293 H VAL 44 H VAL 44 -0.024 -3.971 1.484 294 HA VAL 44 HA VAL 44 -2.591 -3.144 0.320 295 HB VAL 44 HB VAL 44 -1.393 -1.608 -1.216 296 1HG1 VAL 44 1HG1 VAL 44 -1.076 -0.988 1.717 297 2HG1 VAL 44 2HG1 VAL 44 -1.023 0.198 0.413 298 3HG1 VAL 44 3HG1 VAL 44 -2.509 -0.695 0.732 299 1HG2 VAL 44 1HG2 VAL 44 0.959 -2.073 0.613 300 2HG2 VAL 44 2HG2 VAL 44 0.829 -2.616 -1.060 301 3HG2 VAL 44 3HG2 VAL 44 0.877 -0.892 -0.695 302 H GLU 45 H GLU 45 -2.844 -3.675 -1.891 303 HA GLU 45 HA GLU 45 -0.979 -5.752 -2.819 304 1HB GLU 45 2HB GLU 45 -3.312 -6.514 -2.370 305 1HG GLU 45 2HG GLU 45 -2.435 -6.599 -5.244 306 H VAL 46 H VAL 46 0.205 -5.262 -4.499 307 HA VAL 46 HA VAL 46 -0.730 -3.197 -6.374 308 HB VAL 46 HB VAL 46 2.166 -3.405 -5.723 309 1HG1 VAL 46 1HG1 VAL 46 1.723 -2.009 -7.547 310 2HG1 VAL 46 2HG1 VAL 46 0.358 -1.246 -6.728 311 3HG1 VAL 46 3HG1 VAL 46 2.003 -0.923 -6.182 312 1HG2 VAL 46 1HG2 VAL 46 1.951 -1.680 -3.985 313 2HG2 VAL 46 2HG2 VAL 46 0.199 -1.851 -4.069 314 3HG2 VAL 46 3HG2 VAL 46 1.190 -3.205 -3.531 315 H ASN 47 H ASN 47 -0.567 -3.791 -8.424 316 HA ASN 47 HA ASN 47 -0.346 -5.042 -10.251 317 1HB ASN 47 2HB ASN 47 1.817 -5.858 -10.938 318 1HD2 ASN 47 1HD2 ASN 47 3.293 -4.107 -8.385 319 2HD2 ASN 47 2HD2 ASN 47 4.233 -5.415 -7.740 320 H ASP 48 H ASP 48 1.266 -7.120 -7.845 321 HA ASP 48 HA ASP 48 -0.885 -9.002 -7.914 322 1HB ASP 48 2HB ASP 48 0.314 -9.671 -9.957 323 H ARG 49 H ARG 49 1.631 -7.465 -6.449 324 HA ARG 49 HA ARG 49 2.184 -9.651 -4.589 325 1HB ARG 49 2HB ARG 49 4.121 -8.561 -5.768 326 1HG ARG 49 2HG ARG 49 4.629 -7.726 -3.013 327 1HD ARG 49 2HD ARG 49 6.449 -9.432 -3.255 328 HE ARG 49 HE ARG 49 6.943 -7.136 -3.991 329 1HH1 ARG 49 2HH1 ARG 49 6.350 -9.511 -6.507 330 2HH1 ARG 49 1HH1 ARG 49 7.461 -8.778 -7.628 331 1HH2 ARG 49 2HH2 ARG 49 8.420 -6.203 -5.411 332 2HH2 ARG 49 1HH2 ARG 49 8.646 -6.878 -6.996 333 H GLN 50 H GLN 50 0.888 -9.595 -2.898 334 HA GLN 50 HA GLN 50 0.079 -7.024 -1.781 335 1HB GLN 50 2HB GLN 50 -1.418 -8.386 -0.325 336 1HG GLN 50 2HG GLN 50 -1.621 -10.792 -1.643 337 1HE2 GLN 50 1HE2 GLN 50 -2.951 -11.044 0.115 338 2HE2 GLN 50 2HE2 GLN 50 -2.361 -11.365 1.711 339 H GLY 51 H GLY 51 0.996 -6.182 -0.049 340 1HA GLY 51 1HA GLY 51 2.461 -7.768 1.855 341 2HA GLY 51 2HA GLY 51 3.500 -6.883 0.744 342 H PHE 52 H PHE 52 4.288 -5.743 2.605 343 HA PHE 52 HA PHE 52 2.352 -3.870 3.747 344 1HB PHE 52 2HB PHE 52 4.974 -4.916 4.789 345 HD1 PHE 52 1HD PHE 52 1.700 -3.886 6.230 346 HD2 PHE 52 2HD PHE 52 4.477 -7.036 5.553 347 HE1 PHE 52 1HE PHE 52 0.347 -5.370 7.640 348 HE2 PHE 52 2HE PHE 52 3.123 -8.531 6.962 349 HZ PHE 52 HZ PHE 52 1.058 -7.698 8.011 350 H VAL 53 H VAL 53 2.732 -1.742 3.926 351 HA VAL 53 HA VAL 53 5.177 -0.553 2.811 352 HB VAL 53 HB VAL 53 3.826 1.265 1.771 353 1HG1 VAL 53 1HG1 VAL 53 4.692 -0.503 0.364 354 2HG1 VAL 53 2HG1 VAL 53 3.268 -1.492 0.702 355 3HG1 VAL 53 3HG1 VAL 53 3.103 0.011 -0.209 356 1HG2 VAL 53 1HG2 VAL 53 1.447 0.919 1.340 357 2HG2 VAL 53 2HG2 VAL 53 1.484 -0.562 2.296 358 3HG2 VAL 53 3HG2 VAL 53 1.778 0.994 3.070 359 HA PRO 54 HA PRO 54 4.693 2.049 6.413 360 1HB PRO 54 2HB PRO 54 5.542 4.463 5.139 361 1HG PRO 54 2HG PRO 54 7.006 3.755 3.554 362 1HD PRO 54 2HD PRO 54 5.383 2.487 2.551 363 H ALA 55 H ALA 55 3.008 3.064 7.292 364 HA ALA 55 HA ALA 55 0.705 3.691 5.835 365 1HB ALA 55 1HB ALA 55 -0.157 4.621 7.916 366 2HB ALA 55 2HB ALA 55 0.695 3.105 8.215 367 3HB ALA 55 3HB ALA 55 1.472 4.644 8.595 368 H ALA 56 H ALA 56 3.484 5.608 6.587 369 HA ALA 56 HA ALA 56 2.174 8.139 6.094 370 1HB ALA 56 1HB ALA 56 5.088 7.500 6.522 371 2HB ALA 56 2HB ALA 56 4.374 9.113 6.499 372 3HB ALA 56 3HB ALA 56 3.937 7.972 7.772 373 H TYR 57 H TYR 57 3.068 5.778 4.029 374 HA TYR 57 HA TYR 57 4.196 7.644 2.056 375 1HB TYR 57 2HB TYR 57 4.575 4.729 2.495 376 HD1 TYR 57 1HD TYR 57 6.876 5.010 0.269 377 HD2 TYR 57 2HD TYR 57 5.823 7.111 3.814 378 HE1 TYR 57 1HE TYR 57 9.214 5.704 0.543 379 HE2 TYR 57 2HE TYR 57 8.164 7.802 4.101 380 HH TYR 57 HH TYR 57 10.328 7.307 3.447 381 H VAL 58 H VAL 58 1.434 5.764 2.751 382 HA VAL 58 HA VAL 58 0.432 6.294 0.043 383 HB VAL 58 HB VAL 58 -1.242 4.526 0.439 384 1HG1 VAL 58 1HG1 VAL 58 0.343 2.607 0.332 385 2HG1 VAL 58 2HG1 VAL 58 0.774 3.938 -0.744 386 3HG1 VAL 58 3HG1 VAL 58 1.644 3.714 0.775 387 1HG2 VAL 58 1HG2 VAL 58 -1.362 4.615 2.869 388 2HG2 VAL 58 2HG2 VAL 58 -0.951 2.985 2.338 389 3HG2 VAL 58 3HG2 VAL 58 0.302 4.041 2.988 390 H LYS 59 H LYS 59 -1.704 7.076 -0.188 391 HA LYS 59 HA LYS 59 -2.697 8.500 2.199 392 1HB LYS 59 2HB LYS 59 -1.829 10.046 0.537 393 1HG LYS 59 2HG LYS 59 -4.834 10.001 0.556 394 1HD LYS 59 2HD LYS 59 -2.983 12.234 -0.265 395 1HE LYS 59 2HE LYS 59 -5.038 12.953 0.896 396 1HZ LYS 59 1HZ LYS 59 -6.487 11.676 -1.361 397 2HZ LYS 59 2HZ LYS 59 -7.167 12.580 -0.098 398 3HZ LYS 59 3HZ LYS 59 -6.461 11.077 0.228 399 H LYS 60 H LYS 60 -4.908 8.491 2.594 400 HA LYS 60 HA LYS 60 -6.435 6.352 1.488 401 1HB LYS 60 2HB LYS 60 -7.310 8.721 3.155 402 1HG LYS 60 2HG LYS 60 -5.823 7.069 4.322 403 1HD LYS 60 2HD LYS 60 -6.485 4.984 3.379 404 1HE LYS 60 2HE LYS 60 -8.809 5.633 2.773 405 1HZ LYS 60 1HZ LYS 60 -9.395 5.087 5.633 406 2HZ LYS 60 2HZ LYS 60 -10.552 5.329 4.420 407 3HZ LYS 60 3HZ LYS 60 -9.526 6.596 4.870 408 H LEU 61 H LEU 61 -7.496 6.330 -0.364 409 HA LEU 61 HA LEU 61 -8.266 8.840 -1.638 410 1HB LEU 61 2HB LEU 61 -8.353 5.955 -2.525 411 HG LEU 61 HG LEU 61 -6.107 7.193 -2.685 412 1HD1 LEU 61 1HD1 LEU 61 -7.431 6.173 -5.201 413 2HD1 LEU 61 2HD1 LEU 61 -5.694 6.335 -4.944 414 3HD1 LEU 61 3HD1 LEU 61 -6.626 5.192 -3.976 415 1HD2 LEU 61 1HD2 LEU 61 -6.862 9.381 -3.340 416 2HD2 LEU 61 2HD2 LEU 61 -5.938 8.693 -4.669 417 3HD2 LEU 61 3HD2 LEU 61 -7.698 8.726 -4.748 418 H ASP 62 H ASP 62 -9.415 8.084 0.822 419 HA ASP 62 HA ASP 62 -12.239 7.916 0.131 420 1HB ASP 62 2HB ASP 62 -11.582 5.588 0.564 Start of MODEL 5 1 1H MET 1 1H MET 1 -13.570 -11.246 -2.621 2 2H MET 1 2H MET 1 -12.971 -9.664 -2.649 3 3H MET 1 3H MET 1 -13.503 -10.394 -4.083 4 HA MET 1 HA MET 1 -15.744 -10.487 -3.283 5 1HB MET 1 2HB MET 1 -16.385 -9.403 -1.198 6 1HG MET 1 2HG MET 1 -13.449 -9.044 -0.652 7 1HE MET 1 1HE MET 1 -15.367 -10.971 1.102 8 2HE MET 1 2HE MET 1 -13.678 -10.648 1.495 9 3HE MET 1 3HE MET 1 -14.924 -10.450 2.727 10 H ASP 2 H ASP 2 -13.282 -8.249 -3.842 11 HA ASP 2 HA ASP 2 -14.997 -6.618 -5.392 12 1HB ASP 2 2HB ASP 2 -14.894 -4.512 -4.235 13 H GLU 3 H GLU 3 -11.972 -6.441 -3.553 14 HA GLU 3 HA GLU 3 -9.848 -6.016 -4.076 15 1HB GLU 3 2HB GLU 3 -10.743 -6.908 -6.811 16 1HG GLU 3 2HG GLU 3 -9.231 -8.842 -6.266 17 H THR 4 H THR 4 -12.047 -4.522 -6.464 18 HA THR 4 HA THR 4 -10.513 -2.034 -6.028 19 HB THR 4 HB THR 4 -11.584 -1.547 -8.445 20 HG1 THR 4 1HG THR 4 -10.705 -4.091 -9.054 21 1HG2 THR 4 1HG2 THR 4 -8.962 -2.980 -7.952 22 2HG2 THR 4 2HG2 THR 4 -9.234 -1.240 -7.857 23 3HG2 THR 4 3HG2 THR 4 -9.381 -2.072 -9.405 24 H GLY 5 H GLY 5 -12.734 -2.784 -4.450 25 1HA GLY 5 1HA GLY 5 -14.589 -0.624 -5.155 26 2HA GLY 5 2HA GLY 5 -15.256 -2.233 -4.882 27 H LYS 6 H LYS 6 -13.306 0.304 -3.386 28 HA LYS 6 HA LYS 6 -14.259 -0.126 -0.777 29 1HB LYS 6 2HB LYS 6 -12.424 -1.269 0.274 30 1HG LYS 6 2HG LYS 6 -11.098 -1.746 -2.381 31 1HD LYS 6 2HD LYS 6 -9.163 -2.280 -0.937 32 1HE LYS 6 2HE LYS 6 -10.725 -4.070 -1.763 33 1HZ LYS 6 1HZ LYS 6 -12.165 -5.127 -0.169 34 2HZ LYS 6 2HZ LYS 6 -12.645 -3.526 -0.387 35 3HZ LYS 6 3HZ LYS 6 -11.790 -3.964 1.010 36 H GLU 7 H GLU 7 -11.923 0.443 0.648 37 HA GLU 7 HA GLU 7 -11.847 3.205 0.553 38 1HB GLU 7 2HB GLU 7 -9.656 1.408 1.614 39 1HG GLU 7 2HG GLU 7 -10.767 2.043 3.853 40 H LEU 8 H LEU 8 -9.429 0.907 -0.733 41 HA LEU 8 HA LEU 8 -7.637 1.165 -2.094 42 1HB LEU 8 2HB LEU 8 -9.336 3.418 -3.147 43 HG LEU 8 HG LEU 8 -10.139 1.079 -3.607 44 1HD1 LEU 8 1HD1 LEU 8 -9.249 2.731 -5.970 45 2HD1 LEU 8 2HD1 LEU 8 -10.490 1.475 -5.997 46 3HD1 LEU 8 3HD1 LEU 8 -10.740 2.940 -5.049 47 1HD2 LEU 8 1HD2 LEU 8 -7.590 0.939 -5.224 48 2HD2 LEU 8 2HD2 LEU 8 -7.970 -0.024 -3.794 49 3HD2 LEU 8 3HD2 LEU 8 -8.910 -0.232 -5.270 50 H VAL 9 H VAL 9 -5.655 2.266 -2.335 51 HA VAL 9 HA VAL 9 -5.420 4.781 -0.842 52 HB VAL 9 HB VAL 9 -3.101 3.959 -0.099 53 1HG1 VAL 9 1HG1 VAL 9 -4.888 4.371 1.469 54 2HG1 VAL 9 2HG1 VAL 9 -5.594 2.791 1.123 55 3HG1 VAL 9 3HG1 VAL 9 -4.025 2.901 1.921 56 1HG2 VAL 9 1HG2 VAL 9 -3.011 1.948 -1.475 57 2HG2 VAL 9 2HG2 VAL 9 -2.897 1.542 0.238 58 3HG2 VAL 9 3HG2 VAL 9 -4.415 1.296 -0.630 59 H LEU 10 H LEU 10 -3.853 6.178 -1.517 60 HA LEU 10 HA LEU 10 -2.895 5.663 -4.238 61 1HB LEU 10 2HB LEU 10 -4.190 7.550 -4.371 62 HG LEU 10 HG LEU 10 -1.466 8.598 -3.726 63 1HD1 LEU 10 1HD1 LEU 10 -1.442 9.068 -6.138 64 2HD1 LEU 10 2HD1 LEU 10 -1.669 7.355 -5.782 65 3HD1 LEU 10 3HD1 LEU 10 -3.045 8.341 -6.271 66 1HD2 LEU 10 1HD2 LEU 10 -2.990 10.346 -3.081 67 2HD2 LEU 10 2HD2 LEU 10 -2.226 10.773 -4.613 68 3HD2 LEU 10 3HD2 LEU 10 -3.884 10.168 -4.593 69 H ALA 11 H ALA 11 -0.790 5.385 -4.567 70 HA ALA 11 HA ALA 11 1.086 5.566 -2.419 71 1HB ALA 11 1HB ALA 11 2.733 4.841 -4.061 72 2HB ALA 11 2HB ALA 11 1.267 3.863 -4.179 73 3HB ALA 11 3HB ALA 11 1.580 5.132 -5.365 74 H LEU 12 H LEU 12 1.945 7.414 -1.719 75 HA LEU 12 HA LEU 12 1.846 9.804 -3.361 76 1HB LEU 12 2HB LEU 12 3.037 9.440 -0.609 77 HG LEU 12 HG LEU 12 0.606 8.869 -0.589 78 1HD1 LEU 12 1HD1 LEU 12 -0.001 10.426 1.191 79 2HD1 LEU 12 2HD1 LEU 12 1.662 9.861 1.363 80 3HD1 LEU 12 3HD1 LEU 12 1.341 11.475 0.731 81 1HD2 LEU 12 1HD2 LEU 12 -1.025 10.643 -1.041 82 2HD2 LEU 12 2HD2 LEU 12 0.277 11.699 -1.590 83 3HD2 LEU 12 3HD2 LEU 12 -0.104 10.227 -2.487 84 H TYR 13 H TYR 13 4.207 7.563 -2.134 85 HA TYR 13 HA TYR 13 6.328 9.052 -3.523 86 1HB TYR 13 2HB TYR 13 6.829 7.431 -1.033 87 HD1 TYR 13 1HD TYR 13 6.264 8.121 1.132 88 HD2 TYR 13 2HD TYR 13 6.134 10.949 -2.035 89 HE1 TYR 13 1HE TYR 13 5.307 9.780 2.662 90 HE2 TYR 13 2HE TYR 13 5.185 12.623 -0.512 91 HH TYR 13 HH TYR 13 5.158 12.226 2.856 92 H ASP 14 H ASP 14 7.994 7.705 -4.462 93 HA ASP 14 HA ASP 14 7.089 5.077 -5.185 94 1HB ASP 14 2HB ASP 14 9.145 4.938 -6.500 95 H TYR 15 H TYR 15 7.700 3.180 -4.310 96 HA TYR 15 HA TYR 15 9.494 3.379 -1.986 97 1HB TYR 15 2HB TYR 15 7.068 3.339 -1.356 98 HD1 TYR 15 1HD TYR 15 9.113 3.499 0.383 99 HD2 TYR 15 2HD TYR 15 7.083 -0.071 -0.714 100 HE1 TYR 15 1HE TYR 15 9.812 2.467 2.491 101 HE2 TYR 15 2HE TYR 15 7.796 -1.127 1.385 102 HH TYR 15 HH TYR 15 9.133 0.692 3.974 103 H GLN 16 H GLN 16 11.104 2.014 -2.032 104 HA GLN 16 HA GLN 16 10.906 -0.397 -3.677 105 1HB GLN 16 2HB GLN 16 12.839 1.022 -4.132 106 1HG GLN 16 2HG GLN 16 14.645 -0.505 -3.915 107 1HE2 GLN 16 1HE2 GLN 16 12.138 -2.745 -3.037 108 2HE2 GLN 16 2HE2 GLN 16 11.815 -3.327 -4.641 109 H GLU 17 H GLU 17 10.161 -2.086 -2.603 110 HA GLU 17 HA GLU 17 10.131 -2.506 0.138 111 1HB GLU 17 2HB GLU 17 9.602 -4.803 -0.369 112 1HG GLU 17 2HG GLU 17 10.869 -4.256 -3.022 113 H LYS 18 H LYS 18 11.640 -3.012 1.576 114 HA LYS 18 HA LYS 18 14.291 -3.747 0.609 115 1HB LYS 18 2HB LYS 18 15.211 -2.909 2.528 116 1HG LYS 18 2HG LYS 18 12.716 -3.607 4.029 117 1HD LYS 18 2HD LYS 18 15.273 -2.547 5.186 118 1HE LYS 18 2HE LYS 18 13.716 -3.819 6.639 119 1HZ LYS 18 1HZ LYS 18 11.856 -1.584 6.032 120 2HZ LYS 18 2HZ LYS 18 11.615 -2.756 7.233 121 3HZ LYS 18 3HZ LYS 18 11.629 -3.207 5.595 122 H SER 19 H SER 19 11.592 -5.130 2.265 123 HA SER 19 HA SER 19 13.088 -7.659 2.438 124 1HB SER 19 2HB SER 19 11.786 -8.255 4.425 125 HG SER 19 HG SER 19 10.677 -5.655 4.467 126 HA PRO 20 HA PRO 20 10.041 -9.374 -0.285 127 1HB PRO 20 2HB PRO 20 9.686 -11.867 0.844 128 1HG PRO 20 2HG PRO 20 10.967 -11.564 2.752 129 1HD PRO 20 2HD PRO 20 12.444 -9.793 2.979 130 H ALA 21 H ALA 21 9.340 -8.787 2.976 131 HA ALA 21 HA ALA 21 6.550 -9.606 2.763 132 1HB ALA 21 1HB ALA 21 6.369 -8.812 5.091 133 2HB ALA 21 2HB ALA 21 7.655 -10.003 4.885 134 3HB ALA 21 3HB ALA 21 8.053 -8.292 5.027 135 H GLU 22 H GLU 22 8.452 -7.023 1.936 136 HA GLU 22 HA GLU 22 6.298 -5.041 2.152 137 1HB GLU 22 2HB GLU 22 9.249 -4.822 1.529 138 1HG GLU 22 2HG GLU 22 7.828 -3.269 3.614 139 H VAL 23 H VAL 23 6.048 -3.623 0.151 140 HA VAL 23 HA VAL 23 6.674 -5.165 -2.277 141 HB VAL 23 HB VAL 23 4.590 -5.070 -3.205 142 1HG1 VAL 23 1HG1 VAL 23 2.901 -5.697 -1.599 143 2HG1 VAL 23 2HG1 VAL 23 4.447 -6.459 -1.223 144 3HG1 VAL 23 3HG1 VAL 23 3.898 -5.069 -0.287 145 1HG2 VAL 23 1HG2 VAL 23 2.800 -3.500 -2.540 146 2HG2 VAL 23 2HG2 VAL 23 3.944 -2.727 -1.448 147 3HG2 VAL 23 3HG2 VAL 23 4.240 -2.712 -3.184 148 H THR 24 H THR 24 7.138 -4.049 -4.084 149 HA THR 24 HA THR 24 7.980 -1.308 -3.797 150 HB THR 24 HB THR 24 8.022 -3.084 -6.251 151 HG1 THR 24 1HG THR 24 9.213 -3.917 -4.414 152 1HG2 THR 24 1HG2 THR 24 9.827 -1.584 -7.000 153 2HG2 THR 24 2HG2 THR 24 9.569 -0.578 -5.574 154 3HG2 THR 24 3HG2 THR 24 8.302 -0.721 -6.791 155 H MET 25 H MET 25 6.998 0.473 -4.618 156 HA MET 25 HA MET 25 4.763 0.172 -6.470 157 1HB MET 25 2HB MET 25 3.230 1.467 -5.103 158 1HG MET 25 2HG MET 25 5.395 1.485 -3.009 159 1HE MET 25 1HE MET 25 3.470 3.500 -0.267 160 2HE MET 25 2HE MET 25 5.016 2.807 -0.751 161 3HE MET 25 3HE MET 25 4.352 4.181 -1.635 162 H LYS 26 H LYS 26 4.310 2.062 -7.647 163 HA LYS 26 HA LYS 26 6.327 4.179 -7.362 164 1HB LYS 26 2HB LYS 26 4.726 3.269 -9.759 165 1HG LYS 26 2HG LYS 26 6.782 1.981 -9.314 166 1HD LYS 26 2HD LYS 26 8.079 4.686 -9.574 167 1HE LYS 26 2HE LYS 26 10.228 3.470 -9.542 168 1HZ LYS 26 1HZ LYS 26 10.201 2.780 -11.845 169 2HZ LYS 26 2HZ LYS 26 9.320 4.219 -11.661 170 3HZ LYS 26 3HZ LYS 26 8.504 2.745 -11.855 171 H LYS 27 H LYS 27 5.694 6.313 -7.185 172 HA LYS 27 HA LYS 27 3.181 6.739 -6.015 173 1HB LYS 27 2HB LYS 27 3.822 8.903 -5.596 174 1HG LYS 27 2HG LYS 27 4.103 9.426 -8.130 175 1HD LYS 27 2HD LYS 27 6.160 8.133 -8.443 176 1HE LYS 27 2HE LYS 27 7.303 10.106 -6.473 177 1HZ LYS 27 1HZ LYS 27 8.949 9.907 -8.092 178 2HZ LYS 27 2HZ LYS 27 8.639 8.262 -8.361 179 3HZ LYS 27 3HZ LYS 27 9.390 8.759 -6.921 180 H GLY 28 H GLY 28 1.357 7.762 -6.711 181 1HA GLY 28 1HA GLY 28 0.000 8.792 -8.393 182 2HA GLY 28 2HA GLY 28 1.111 8.186 -9.614 183 H ASP 29 H ASP 29 1.096 5.549 -8.048 184 HA ASP 29 HA ASP 29 -1.035 4.344 -9.554 185 1HB ASP 29 2HB ASP 29 1.067 3.269 -7.690 186 H ILE 30 H ILE 30 -2.747 3.065 -8.681 187 HA ILE 30 HA ILE 30 -3.580 3.897 -5.969 188 HB ILE 30 HB ILE 30 -5.244 3.137 -8.386 189 1HG1 ILE 30 2HG1 ILE 30 -6.513 5.131 -7.953 190 1HG2 ILE 30 1HG2 ILE 30 -6.142 3.125 -5.517 191 2HG2 ILE 30 2HG2 ILE 30 -7.217 3.033 -6.914 192 3HG2 ILE 30 3HG2 ILE 30 -6.054 1.742 -6.609 193 1HD1 ILE 30 1HD1 ILE 30 -3.644 5.931 -7.603 194 2HD1 ILE 30 2HD1 ILE 30 -4.479 5.680 -9.140 195 3HD1 ILE 30 3HD1 ILE 30 -4.979 6.981 -8.064 196 H LEU 31 H LEU 31 -3.344 2.349 -4.486 197 HA LEU 31 HA LEU 31 -3.106 -0.438 -5.415 198 1HB LEU 31 2HB LEU 31 -2.453 0.297 -2.619 199 HG LEU 31 HG LEU 31 -1.188 2.081 -3.588 200 1HD1 LEU 31 1HD1 LEU 31 -0.095 0.618 -1.928 201 2HD1 LEU 31 2HD1 LEU 31 0.602 -0.315 -3.256 202 3HD1 LEU 31 3HD1 LEU 31 1.049 1.378 -3.038 203 1HD2 LEU 31 1HD2 LEU 31 0.321 1.820 -5.437 204 2HD2 LEU 31 2HD2 LEU 31 -0.040 0.097 -5.541 205 3HD2 LEU 31 3HD2 LEU 31 -1.282 1.278 -5.941 206 H THR 32 H THR 32 -4.094 -2.104 -4.085 207 HA THR 32 HA THR 32 -6.673 -1.291 -3.029 208 HB THR 32 HB THR 32 -5.438 -4.036 -3.327 209 HG1 THR 32 1HG THR 32 -7.673 -3.423 -4.808 210 1HG2 THR 32 1HG2 THR 32 -7.766 -4.853 -2.936 211 2HG2 THR 32 2HG2 THR 32 -8.221 -3.209 -2.479 212 3HG2 THR 32 3HG2 THR 32 -7.033 -4.098 -1.521 213 H LEU 33 H LEU 33 -7.069 -0.954 -0.932 214 HA LEU 33 HA LEU 33 -4.974 -1.351 0.987 215 1HB LEU 33 2HB LEU 33 -7.132 0.405 0.795 216 HG LEU 33 HG LEU 33 -5.272 1.292 1.842 217 1HD1 LEU 33 1HD1 LEU 33 -7.257 2.059 2.964 218 2HD1 LEU 33 2HD1 LEU 33 -7.220 0.672 4.051 219 3HD1 LEU 33 3HD1 LEU 33 -5.943 1.885 4.129 220 1HD2 LEU 33 1HD2 LEU 33 -4.151 0.311 3.780 221 2HD2 LEU 33 2HD2 LEU 33 -5.292 -1.033 3.761 222 3HD2 LEU 33 3HD2 LEU 33 -4.177 -0.805 2.414 223 H LEU 34 H LEU 34 -4.671 -3.143 2.045 224 HA LEU 34 HA LEU 34 -6.855 -5.079 2.290 225 1HB LEU 34 2HB LEU 34 -3.863 -5.336 2.597 226 HG LEU 34 HG LEU 34 -4.562 -5.216 0.241 227 1HD1 LEU 34 1HD1 LEU 34 -3.520 -7.289 -0.496 228 2HD1 LEU 34 2HD1 LEU 34 -2.654 -6.598 0.877 229 3HD1 LEU 34 3HD1 LEU 34 -3.729 -7.976 1.115 230 1HD2 LEU 34 1HD2 LEU 34 -5.932 -7.032 -0.703 231 2HD2 LEU 34 2HD2 LEU 34 -6.268 -7.606 0.929 232 3HD2 LEU 34 3HD2 LEU 34 -6.838 -6.017 0.417 233 H ASN 35 H ASN 35 -4.498 -3.261 4.155 234 HA ASN 35 HA ASN 35 -6.044 -3.710 6.582 235 1HB ASN 35 2HB ASN 35 -4.618 -5.418 7.100 236 1HD2 ASN 35 1HD2 ASN 35 -2.006 -3.077 6.922 237 2HD2 ASN 35 2HD2 ASN 35 -1.794 -2.940 8.631 238 H SER 36 H SER 36 -6.094 -1.948 7.859 239 HA SER 36 HA SER 36 -3.950 0.038 7.582 240 1HB SER 36 2HB SER 36 -5.697 1.846 7.645 241 HG SER 36 HG SER 36 -7.695 0.489 6.558 242 H THR 37 H THR 37 -5.575 -1.958 9.586 243 HA THR 37 HA THR 37 -6.094 -0.246 11.800 244 HB THR 37 HB THR 37 -7.276 -2.379 11.553 245 HG1 THR 37 1HG THR 37 -6.924 -1.456 13.676 246 1HG2 THR 37 1HG2 THR 37 -5.430 -3.714 10.619 247 2HG2 THR 37 2HG2 THR 37 -6.168 -4.505 12.014 248 3HG2 THR 37 3HG2 THR 37 -4.622 -3.677 12.185 249 H ASN 38 H ASN 38 -3.259 -1.733 10.567 250 HA ASN 38 HA ASN 38 -1.773 -1.648 13.032 251 1HB ASN 38 2HB ASN 38 -1.299 -3.238 11.106 252 1HD2 ASN 38 1HD2 ASN 38 1.334 -2.996 10.157 253 2HD2 ASN 38 2HD2 ASN 38 2.391 -3.039 11.535 254 H LYS 39 H LYS 39 -0.551 -0.030 13.798 255 HA LYS 39 HA LYS 39 -1.008 2.582 12.709 256 1HB LYS 39 2HB LYS 39 -0.003 3.440 14.673 257 1HG LYS 39 2HG LYS 39 1.214 0.743 15.254 258 1HD LYS 39 2HD LYS 39 1.458 3.411 16.628 259 1HE LYS 39 2HE LYS 39 2.774 0.759 17.194 260 1HZ LYS 39 1HZ LYS 39 3.836 1.899 19.013 261 2HZ LYS 39 2HZ LYS 39 2.153 1.941 19.221 262 3HZ LYS 39 3HZ LYS 39 2.978 3.322 18.681 263 H ASP 40 H ASP 40 1.335 0.272 12.025 264 HA ASP 40 HA ASP 40 3.196 2.372 11.127 265 1HB ASP 40 2HB ASP 40 3.768 -0.327 12.303 266 H TRP 41 H TRP 41 2.646 -1.080 10.458 267 HA TRP 41 HA TRP 41 3.242 -0.511 7.647 268 1HB TRP 41 2HB TRP 41 3.346 -3.071 9.247 269 HD1 TRP 41 HD TRP 41 5.353 -2.324 10.767 270 HE1 TRP 41 1HE TRP 41 7.817 -1.741 10.281 271 HE3 TRP 41 3HE TRP 41 5.096 -1.882 5.683 272 HZ2 TRP 41 2HZ TRP 41 9.427 -1.166 8.039 273 HZ3 TRP 41 3HZ TRP 41 7.139 -1.307 4.447 274 HH2 TRP 41 HH TRP 41 9.260 -0.955 5.599 275 H TRP 42 H TRP 42 1.529 -0.211 6.423 276 HA TRP 42 HA TRP 42 -0.966 -1.609 6.953 277 1HB TRP 42 2HB TRP 42 -0.132 0.467 4.938 278 HD1 TRP 42 HD TRP 42 -0.999 0.177 8.394 279 HE1 TRP 42 1HE TRP 42 -2.233 2.265 9.259 280 HE3 TRP 42 3HE TRP 42 -2.327 2.162 3.937 281 HZ2 TRP 42 2HZ TRP 42 -3.593 4.487 8.156 282 HZ3 TRP 42 3HZ TRP 42 -3.594 4.285 3.893 283 HH2 TRP 42 HH TRP 42 -4.210 5.419 5.970 284 H LYS 43 H LYS 43 -2.027 -2.754 5.133 285 HA LYS 43 HA LYS 43 -0.016 -4.290 3.625 286 1HB LYS 43 2HB LYS 43 -1.510 -5.452 5.447 287 1HG LYS 43 2HG LYS 43 -1.344 -6.618 2.675 288 1HD LYS 43 2HD LYS 43 -1.635 -7.939 5.376 289 1HE LYS 43 2HE LYS 43 -2.010 -9.994 3.978 290 1HZ LYS 43 1HZ LYS 43 0.675 -8.736 3.874 291 2HZ LYS 43 2HZ LYS 43 0.371 -10.362 3.523 292 3HZ LYS 43 3HZ LYS 43 0.076 -9.763 5.083 293 H VAL 44 H VAL 44 -0.147 -4.122 1.491 294 HA VAL 44 HA VAL 44 -2.694 -3.272 0.308 295 HB VAL 44 HB VAL 44 -1.462 -1.774 -1.253 296 1HG1 VAL 44 1HG1 VAL 44 -1.128 0.066 0.338 297 2HG1 VAL 44 2HG1 VAL 44 -2.608 -0.832 0.676 298 3HG1 VAL 44 3HG1 VAL 44 -1.174 -1.088 1.671 299 1HG2 VAL 44 1HG2 VAL 44 0.808 -1.063 -0.680 300 2HG2 VAL 44 2HG2 VAL 44 0.848 -2.247 0.627 301 3HG2 VAL 44 3HG2 VAL 44 0.747 -2.787 -1.050 302 H GLU 45 H GLU 45 -2.895 -3.770 -1.933 303 HA GLU 45 HA GLU 45 -1.031 -5.855 -2.846 304 1HB GLU 45 2HB GLU 45 -3.347 -6.660 -2.536 305 1HG GLU 45 2HG GLU 45 -2.420 -6.455 -5.390 306 H VAL 46 H VAL 46 0.162 -5.380 -4.531 307 HA VAL 46 HA VAL 46 -0.742 -3.329 -6.430 308 HB VAL 46 HB VAL 46 2.161 -3.468 -5.840 309 1HG1 VAL 46 1HG1 VAL 46 1.865 -0.956 -6.144 310 2HG1 VAL 46 2HG1 VAL 46 1.608 -1.982 -7.555 311 3HG1 VAL 46 3HG1 VAL 46 0.227 -1.345 -6.666 312 1HG2 VAL 46 1HG2 VAL 46 1.974 -1.821 -4.016 313 2HG2 VAL 46 2HG2 VAL 46 0.227 -2.069 -4.010 314 3HG2 VAL 46 3HG2 VAL 46 1.309 -3.399 -3.593 315 H ASN 47 H ASN 47 -0.415 -3.907 -8.500 316 HA ASN 47 HA ASN 47 -0.260 -5.292 -10.235 317 1HB ASN 47 2HB ASN 47 1.935 -6.248 -10.798 318 1HD2 ASN 47 1HD2 ASN 47 3.273 -4.075 -8.485 319 2HD2 ASN 47 2HD2 ASN 47 4.259 -5.241 -7.658 320 H ASP 48 H ASP 48 1.625 -7.499 -8.199 321 HA ASP 48 HA ASP 48 -0.706 -9.228 -7.971 322 1HB ASP 48 2HB ASP 48 0.600 -9.845 -10.057 323 H ARG 49 H ARG 49 1.698 -7.648 -6.514 324 HA ARG 49 HA ARG 49 2.403 -9.809 -4.664 325 1HB ARG 49 2HB ARG 49 4.267 -8.615 -5.874 326 1HG ARG 49 2HG ARG 49 4.706 -7.825 -3.071 327 1HD ARG 49 2HD ARG 49 6.738 -9.243 -3.408 328 HE ARG 49 HE ARG 49 6.997 -6.897 -4.001 329 1HH1 ARG 49 2HH1 ARG 49 6.512 -9.118 -6.675 330 2HH1 ARG 49 1HH1 ARG 49 7.379 -8.124 -7.814 331 1HH2 ARG 49 2HH2 ARG 49 8.145 -5.622 -5.470 332 2HH2 ARG 49 1HH2 ARG 49 8.278 -6.106 -7.140 333 H GLN 50 H GLN 50 1.328 -9.830 -2.854 334 HA GLN 50 HA GLN 50 0.205 -7.343 -1.766 335 1HB GLN 50 2HB GLN 50 -0.242 -10.179 -0.792 336 1HG GLN 50 2HG GLN 50 -2.125 -8.649 -2.570 337 1HE2 GLN 50 1HE2 GLN 50 -3.953 -9.807 -3.160 338 2HE2 GLN 50 2HE2 GLN 50 -4.483 -11.187 -2.253 339 H GLY 51 H GLY 51 1.002 -6.447 0.055 340 1HA GLY 51 1HA GLY 51 2.557 -7.881 1.965 341 2HA GLY 51 2HA GLY 51 3.589 -6.983 0.855 342 H PHE 52 H PHE 52 4.251 -5.852 2.808 343 HA PHE 52 HA PHE 52 2.239 -3.969 3.799 344 1HB PHE 52 2HB PHE 52 4.864 -4.899 4.953 345 HD1 PHE 52 1HD PHE 52 1.421 -4.083 6.153 346 HD2 PHE 52 2HD PHE 52 4.533 -6.973 5.869 347 HE1 PHE 52 1HE PHE 52 0.121 -5.606 7.570 348 HE2 PHE 52 2HE PHE 52 3.229 -8.511 7.279 349 HZ PHE 52 HZ PHE 52 1.021 -7.828 8.134 350 H VAL 53 H VAL 53 2.608 -1.818 3.959 351 HA VAL 53 HA VAL 53 5.079 -0.663 2.861 352 HB VAL 53 HB VAL 53 3.765 1.148 1.772 353 1HG1 VAL 53 1HG1 VAL 53 3.047 -0.123 -0.190 354 2HG1 VAL 53 2HG1 VAL 53 4.615 -0.664 0.414 355 3HG1 VAL 53 3HG1 VAL 53 3.166 -1.613 0.747 356 1HG2 VAL 53 1HG2 VAL 53 1.394 -0.622 2.346 357 2HG2 VAL 53 2HG2 VAL 53 1.707 0.971 3.034 358 3HG2 VAL 53 3HG2 VAL 53 1.383 0.805 1.309 359 HA PRO 54 HA PRO 54 4.556 2.038 6.388 360 1HB PRO 54 2HB PRO 54 5.446 4.406 5.066 361 1HG PRO 54 2HG PRO 54 6.897 3.653 3.494 362 1HD PRO 54 2HD PRO 54 5.298 2.342 2.520 363 H ALA 55 H ALA 55 2.856 3.064 7.186 364 HA ALA 55 HA ALA 55 0.591 3.666 5.666 365 1HB ALA 55 1HB ALA 55 1.314 4.666 8.422 366 2HB ALA 55 2HB ALA 55 -0.302 4.659 7.712 367 3HB ALA 55 3HB ALA 55 0.519 3.136 8.052 368 H ALA 56 H ALA 56 3.327 5.623 6.517 369 HA ALA 56 HA ALA 56 2.037 8.136 5.978 370 1HB ALA 56 1HB ALA 56 3.769 8.030 7.648 371 2HB ALA 56 2HB ALA 56 4.924 7.433 6.456 372 3HB ALA 56 3HB ALA 56 4.292 9.075 6.328 373 H TYR 57 H TYR 57 3.107 5.736 3.978 374 HA TYR 57 HA TYR 57 4.159 7.582 1.950 375 1HB TYR 57 2HB TYR 57 4.455 4.620 2.337 376 HD1 TYR 57 1HD TYR 57 6.991 5.220 0.337 377 HD2 TYR 57 2HD TYR 57 5.623 6.618 4.110 378 HE1 TYR 57 1HE TYR 57 9.297 5.813 0.947 379 HE2 TYR 57 2HE TYR 57 7.928 7.214 4.730 380 HH TYR 57 HH TYR 57 10.459 7.324 2.456 381 H VAL 58 H VAL 58 1.382 5.817 2.755 382 HA VAL 58 HA VAL 58 0.339 6.267 0.046 383 HB VAL 58 HB VAL 58 -1.244 4.427 0.427 384 1HG1 VAL 58 1HG1 VAL 58 0.411 2.580 0.302 385 2HG1 VAL 58 2HG1 VAL 58 0.803 3.945 -0.745 386 3HG1 VAL 58 3HG1 VAL 58 1.668 3.729 0.778 387 1HG2 VAL 58 1HG2 VAL 58 0.313 3.972 2.973 388 2HG2 VAL 58 2HG2 VAL 58 -1.365 4.501 2.860 389 3HG2 VAL 58 3HG2 VAL 58 -0.911 2.889 2.312 390 H LYS 59 H LYS 59 -1.775 7.039 -0.148 391 HA LYS 59 HA LYS 59 -2.737 8.453 2.257 392 1HB LYS 59 2HB LYS 59 -1.914 9.921 0.451 393 1HG LYS 59 2HG LYS 59 -4.884 10.010 0.884 394 1HD LYS 59 2HD LYS 59 -3.098 12.052 -0.442 395 1HE LYS 59 2HE LYS 59 -5.319 13.215 -0.808 396 1HZ LYS 59 1HZ LYS 59 -3.713 14.047 0.793 397 2HZ LYS 59 2HZ LYS 59 -4.345 13.030 1.995 398 3HZ LYS 59 3HZ LYS 59 -5.300 14.273 1.351 399 H LYS 60 H LYS 60 -4.867 8.329 2.797 400 HA LYS 60 HA LYS 60 -6.431 6.177 1.787 401 1HB LYS 60 2HB LYS 60 -7.244 8.538 3.493 402 1HG LYS 60 2HG LYS 60 -5.596 6.850 4.479 403 1HD LYS 60 2HD LYS 60 -6.532 4.785 3.728 404 1HE LYS 60 2HE LYS 60 -9.061 5.753 5.047 405 1HZ LYS 60 1HZ LYS 60 -9.992 3.594 4.736 406 2HZ LYS 60 2HZ LYS 60 -8.601 3.440 5.695 407 3HZ LYS 60 3HZ LYS 60 -8.553 3.008 4.057 408 H LEU 61 H LEU 61 -7.271 6.212 -0.206 409 HA LEU 61 HA LEU 61 -8.301 8.690 -1.322 410 1HB LEU 61 2HB LEU 61 -8.161 5.868 -2.376 411 HG LEU 61 HG LEU 61 -6.011 7.210 -2.503 412 1HD1 LEU 61 1HD1 LEU 61 -7.351 6.424 -5.091 413 2HD1 LEU 61 2HD1 LEU 61 -5.617 6.627 -4.847 414 3HD1 LEU 61 3HD1 LEU 61 -6.482 5.346 -3.999 415 1HD2 LEU 61 1HD2 LEU 61 -6.855 9.425 -2.888 416 2HD2 LEU 61 2HD2 LEU 61 -5.952 8.926 -4.312 417 3HD2 LEU 61 3HD2 LEU 61 -7.715 8.904 -4.336 418 H ASP 62 H ASP 62 -9.371 7.391 1.083 419 HA ASP 62 HA ASP 62 -12.166 7.031 0.250 420 1HB ASP 62 2HB ASP 62 -11.287 4.917 1.093 Start of MODEL 6 1 1H MET 1 1H MET 1 -14.538 -8.174 -1.906 2 2H MET 1 2H MET 1 -13.063 -8.484 -1.125 3 3H MET 1 3H MET 1 -14.491 -8.350 -0.218 4 HA MET 1 HA MET 1 -15.387 -10.316 -1.269 5 1HB MET 1 2HB MET 1 -14.048 -11.662 -2.757 6 1HG MET 1 2HG MET 1 -11.884 -9.610 -2.365 7 1HE MET 1 1HE MET 1 -9.459 -11.367 -3.275 8 2HE MET 1 2HE MET 1 -9.277 -10.870 -4.957 9 3HE MET 1 3HE MET 1 -9.650 -9.669 -3.717 10 H ASP 2 H ASP 2 -12.343 -9.474 0.172 11 HA ASP 2 HA ASP 2 -12.563 -11.445 2.236 12 1HB ASP 2 2HB ASP 2 -11.784 -12.948 0.469 13 H GLU 3 H GLU 3 -11.500 -8.605 0.995 14 HA GLU 3 HA GLU 3 -8.901 -8.486 2.286 15 1HB GLU 3 2HB GLU 3 -10.314 -6.185 0.920 16 1HG GLU 3 2HG GLU 3 -8.661 -6.797 -0.991 17 H THR 4 H THR 4 -11.646 -8.443 3.802 18 HA THR 4 HA THR 4 -12.500 -7.476 5.745 19 HB THR 4 HB THR 4 -9.889 -5.927 5.805 20 HG1 THR 4 1HG THR 4 -10.586 -8.531 6.443 21 1HG2 THR 4 1HG2 THR 4 -11.619 -4.897 7.205 22 2HG2 THR 4 2HG2 THR 4 -10.363 -5.645 8.193 23 3HG2 THR 4 3HG2 THR 4 -11.917 -6.453 7.984 24 H GLY 5 H GLY 5 -11.325 -5.430 3.171 25 1HA GLY 5 1HA GLY 5 -13.672 -3.986 2.882 26 2HA GLY 5 2HA GLY 5 -12.620 -3.029 3.918 27 H LYS 6 H LYS 6 -13.146 -1.750 1.709 28 HA LYS 6 HA LYS 6 -10.634 -1.993 0.257 29 1HB LYS 6 2HB LYS 6 -12.496 -3.129 -1.034 30 1HG LYS 6 2HG LYS 6 -11.905 -2.182 -3.154 31 1HD LYS 6 2HD LYS 6 -9.496 -2.315 -3.026 32 1HE LYS 6 2HE LYS 6 -9.280 -4.416 -1.693 33 1HZ LYS 6 1HZ LYS 6 -10.147 -4.524 -3.952 34 2HZ LYS 6 2HZ LYS 6 -11.729 -4.306 -3.373 35 3HZ LYS 6 3HZ LYS 6 -10.855 -5.705 -2.958 36 H GLU 7 H GLU 7 -10.496 -0.187 1.961 37 HA GLU 7 HA GLU 7 -11.606 2.315 1.376 38 1HB GLU 7 2HB GLU 7 -8.965 1.610 2.642 39 1HG GLU 7 2HG GLU 7 -10.287 2.686 4.648 40 H LEU 8 H LEU 8 -9.080 0.569 -0.270 41 HA LEU 8 HA LEU 8 -7.522 1.087 -1.832 42 1HB LEU 8 2HB LEU 8 -9.456 3.332 -2.396 43 HG LEU 8 HG LEU 8 -10.275 1.028 -2.954 44 1HD1 LEU 8 1HD1 LEU 8 -11.074 3.002 -4.151 45 2HD1 LEU 8 2HD1 LEU 8 -9.728 2.870 -5.284 46 3HD1 LEU 8 3HD1 LEU 8 -10.962 1.610 -5.229 47 1HD2 LEU 8 1HD2 LEU 8 -9.233 -0.071 -4.913 48 2HD2 LEU 8 2HD2 LEU 8 -7.913 1.099 -4.835 49 3HD2 LEU 8 3HD2 LEU 8 -8.170 -0.034 -3.507 50 H VAL 9 H VAL 9 -5.637 2.255 -2.155 51 HA VAL 9 HA VAL 9 -5.310 4.738 -0.630 52 HB VAL 9 HB VAL 9 -2.945 3.913 -0.037 53 1HG1 VAL 9 1HG1 VAL 9 -5.352 2.767 1.358 54 2HG1 VAL 9 2HG1 VAL 9 -3.733 2.879 2.046 55 3HG1 VAL 9 3HG1 VAL 9 -4.621 4.347 1.644 56 1HG2 VAL 9 1HG2 VAL 9 -2.778 1.477 0.337 57 2HG2 VAL 9 2HG2 VAL 9 -4.308 1.271 -0.519 58 3HG2 VAL 9 3HG2 VAL 9 -2.901 1.906 -1.372 59 H LEU 10 H LEU 10 -3.766 6.130 -1.402 60 HA LEU 10 HA LEU 10 -2.861 5.567 -4.136 61 1HB LEU 10 2HB LEU 10 -4.171 7.438 -4.307 62 HG LEU 10 HG LEU 10 -1.462 8.547 -3.673 63 1HD1 LEU 10 1HD1 LEU 10 -1.654 7.194 -5.683 64 2HD1 LEU 10 2HD1 LEU 10 -2.990 8.201 -6.241 65 3HD1 LEU 10 3HD1 LEU 10 -1.373 8.889 -6.088 66 1HD2 LEU 10 1HD2 LEU 10 -3.860 10.057 -4.701 67 2HD2 LEU 10 2HD2 LEU 10 -3.103 10.262 -3.121 68 3HD2 LEU 10 3HD2 LEU 10 -2.215 10.681 -4.587 69 H ALA 11 H ALA 11 -0.743 5.330 -4.479 70 HA ALA 11 HA ALA 11 1.128 5.618 -2.324 71 1HB ALA 11 1HB ALA 11 1.367 3.831 -3.976 72 2HB ALA 11 2HB ALA 11 1.602 5.028 -5.248 73 3HB ALA 11 3HB ALA 11 2.795 4.867 -3.958 74 H LEU 12 H LEU 12 1.870 7.538 -1.705 75 HA LEU 12 HA LEU 12 1.844 9.828 -3.480 76 1HB LEU 12 2HB LEU 12 3.019 9.639 -0.703 77 HG LEU 12 HG LEU 12 0.594 8.976 -0.662 78 1HD1 LEU 12 1HD1 LEU 12 0.003 10.539 1.125 79 2HD1 LEU 12 2HD1 LEU 12 1.680 10.008 1.261 80 3HD1 LEU 12 3HD1 LEU 12 1.311 11.611 0.623 81 1HD2 LEU 12 1HD2 LEU 12 -1.077 10.685 -1.127 82 2HD2 LEU 12 2HD2 LEU 12 0.186 11.799 -1.651 83 3HD2 LEU 12 3HD2 LEU 12 -0.133 10.330 -2.574 84 H TYR 13 H TYR 13 4.198 7.716 -1.957 85 HA TYR 13 HA TYR 13 6.317 9.053 -3.502 86 1HB TYR 13 2HB TYR 13 6.848 7.516 -0.965 87 HD1 TYR 13 1HD TYR 13 6.439 8.258 1.175 88 HD2 TYR 13 2HD TYR 13 5.950 10.994 -2.040 89 HE1 TYR 13 1HE TYR 13 5.525 9.924 2.735 90 HE2 TYR 13 2HE TYR 13 5.044 12.664 -0.495 91 HH TYR 13 HH TYR 13 5.326 12.457 2.816 92 H ASP 14 H ASP 14 7.926 7.663 -4.398 93 HA ASP 14 HA ASP 14 6.856 5.072 -5.072 94 1HB ASP 14 2HB ASP 14 8.852 4.926 -6.573 95 H TYR 15 H TYR 15 7.555 3.149 -4.334 96 HA TYR 15 HA TYR 15 9.520 3.308 -2.148 97 1HB TYR 15 2HB TYR 15 7.157 3.306 -1.329 98 HD1 TYR 15 1HD TYR 15 9.441 3.304 0.200 99 HD2 TYR 15 2HD TYR 15 6.998 -0.054 -0.708 100 HE1 TYR 15 1HE TYR 15 10.236 2.181 2.233 101 HE2 TYR 15 2HE TYR 15 7.799 -1.193 1.317 102 HH TYR 15 HH TYR 15 9.482 0.411 3.781 103 H GLN 16 H GLN 16 11.079 1.862 -2.245 104 HA GLN 16 HA GLN 16 10.654 -0.548 -3.857 105 1HB GLN 16 2HB GLN 16 12.566 0.872 -4.526 106 1HG GLN 16 2HG GLN 16 14.263 -0.771 -4.673 107 1HE2 GLN 16 1HE2 GLN 16 11.783 -2.899 -3.486 108 2HE2 GLN 16 2HE2 GLN 16 11.149 -3.367 -5.035 109 H GLU 17 H GLU 17 9.990 -2.187 -2.670 110 HA GLU 17 HA GLU 17 10.161 -2.559 0.052 111 1HB GLU 17 2HB GLU 17 9.623 -4.876 -0.364 112 1HG GLU 17 2HG GLU 17 10.628 -4.378 -3.150 113 H LYS 18 H LYS 18 11.703 -3.166 1.448 114 HA LYS 18 HA LYS 18 14.283 -4.026 0.337 115 1HB LYS 18 2HB LYS 18 15.335 -3.065 2.120 116 1HG LYS 18 2HG LYS 18 13.070 -4.054 3.763 117 1HD LYS 18 2HD LYS 18 15.027 -1.927 4.615 118 1HE LYS 18 2HE LYS 18 12.908 -3.454 6.109 119 1HZ LYS 18 1HZ LYS 18 14.409 -1.021 6.906 120 2HZ LYS 18 2HZ LYS 18 13.530 -2.000 7.977 121 3HZ LYS 18 3HZ LYS 18 12.729 -1.168 6.735 122 H SER 19 H SER 19 11.538 -5.340 1.685 123 HA SER 19 HA SER 19 12.909 -7.863 2.176 124 1HB SER 19 2HB SER 19 11.732 -8.206 4.299 125 HG SER 19 HG SER 19 10.850 -5.517 4.233 126 HA PRO 20 HA PRO 20 9.514 -9.489 -0.167 127 1HB PRO 20 2HB PRO 20 9.169 -11.928 1.059 128 1HG PRO 20 2HG PRO 20 10.619 -11.659 2.836 129 1HD PRO 20 2HD PRO 20 12.148 -9.928 2.920 130 H ALA 21 H ALA 21 9.203 -8.714 3.089 131 HA ALA 21 HA ALA 21 6.373 -9.390 3.237 132 1HB ALA 21 1HB ALA 21 8.212 -8.045 5.211 133 2HB ALA 21 2HB ALA 21 6.502 -8.366 5.496 134 3HB ALA 21 3HB ALA 21 7.627 -9.707 5.267 135 H GLU 22 H GLU 22 8.268 -7.027 1.960 136 HA GLU 22 HA GLU 22 6.238 -4.915 2.233 137 1HB GLU 22 2HB GLU 22 9.141 -4.864 1.383 138 1HG GLU 22 2HG GLU 22 7.896 -3.184 3.502 139 H VAL 23 H VAL 23 6.103 -3.562 0.094 140 HA VAL 23 HA VAL 23 6.488 -5.306 -2.246 141 HB VAL 23 HB VAL 23 4.405 -4.883 -3.216 142 1HG1 VAL 23 1HG1 VAL 23 2.743 -5.574 -1.612 143 2HG1 VAL 23 2HG1 VAL 23 4.243 -6.484 -1.424 144 3HG1 VAL 23 3HG1 VAL 23 3.849 -5.191 -0.292 145 1HG2 VAL 23 1HG2 VAL 23 3.883 -2.788 -1.137 146 2HG2 VAL 23 2HG2 VAL 23 4.283 -2.488 -2.824 147 3HG2 VAL 23 3HG2 VAL 23 2.767 -3.280 -2.403 148 H THR 24 H THR 24 7.012 -4.307 -4.135 149 HA THR 24 HA THR 24 8.011 -1.617 -4.047 150 HB THR 24 HB THR 24 7.678 -3.399 -6.471 151 HG1 THR 24 1HG THR 24 8.921 -4.400 -4.740 152 1HG2 THR 24 1HG2 THR 24 9.533 -1.090 -5.885 153 2HG2 THR 24 2HG2 THR 24 8.170 -1.080 -7.004 154 3HG2 THR 24 3HG2 THR 24 9.578 -2.087 -7.337 155 H MET 25 H MET 25 6.880 0.176 -4.521 156 HA MET 25 HA MET 25 4.550 -0.052 -6.286 157 1HB MET 25 2HB MET 25 3.126 1.197 -4.844 158 1HG MET 25 2HG MET 25 5.476 1.542 -2.995 159 1HE MET 25 1HE MET 25 3.660 3.671 -0.237 160 2HE MET 25 2HE MET 25 5.208 3.047 -0.801 161 3HE MET 25 3HE MET 25 4.356 4.272 -1.741 162 H LYS 26 H LYS 26 4.262 1.658 -7.633 163 HA LYS 26 HA LYS 26 6.263 3.771 -7.512 164 1HB LYS 26 2HB LYS 26 5.982 2.432 -9.612 165 1HG LYS 26 2HG LYS 26 5.684 4.327 -11.202 166 1HD LYS 26 2HD LYS 26 7.666 5.611 -10.423 167 1HE LYS 26 2HE LYS 26 7.791 3.293 -11.521 168 1HZ LYS 26 1HZ LYS 26 7.301 1.963 -9.542 169 2HZ LYS 26 2HZ LYS 26 8.708 2.545 -8.796 170 3HZ LYS 26 3HZ LYS 26 8.823 1.588 -10.184 171 H LYS 27 H LYS 27 5.670 5.892 -7.187 172 HA LYS 27 HA LYS 27 3.181 6.387 -5.982 173 1HB LYS 27 2HB LYS 27 3.870 8.574 -5.621 174 1HG LYS 27 2HG LYS 27 4.341 9.010 -8.121 175 1HD LYS 27 2HD LYS 27 6.980 8.033 -7.128 176 1HE LYS 27 2HE LYS 27 6.739 9.957 -9.415 177 1HZ LYS 27 1HZ LYS 27 9.146 10.149 -9.030 178 2HZ LYS 27 2HZ LYS 27 8.678 8.577 -9.467 179 3HZ LYS 27 3HZ LYS 27 9.045 8.936 -7.849 180 H GLY 28 H GLY 28 1.413 7.560 -6.649 181 1HA GLY 28 1HA GLY 28 0.053 8.604 -8.302 182 2HA GLY 28 2HA GLY 28 1.148 8.001 -9.540 183 H ASP 29 H ASP 29 1.128 5.334 -8.086 184 HA ASP 29 HA ASP 29 -1.080 4.208 -9.534 185 1HB ASP 29 2HB ASP 29 1.117 3.069 -7.844 186 H ILE 30 H ILE 30 -2.857 3.113 -8.703 187 HA ILE 30 HA ILE 30 -3.640 3.897 -5.976 188 HB ILE 30 HB ILE 30 -5.386 2.697 -8.131 189 1HG1 ILE 30 2HG1 ILE 30 -4.570 4.832 -8.936 190 1HG2 ILE 30 1HG2 ILE 30 -6.243 2.380 -5.885 191 2HG2 ILE 30 2HG2 ILE 30 -6.084 4.105 -5.561 192 3HG2 ILE 30 3HG2 ILE 30 -7.238 3.537 -6.767 193 1HD1 ILE 30 1HD1 ILE 30 -5.578 6.043 -6.378 194 2HD1 ILE 30 2HD1 ILE 30 -3.887 5.875 -6.847 195 3HD1 ILE 30 3HD1 ILE 30 -4.959 6.919 -7.777 196 H LEU 31 H LEU 31 -3.416 2.383 -4.429 197 HA LEU 31 HA LEU 31 -3.068 -0.390 -5.332 198 1HB LEU 31 2HB LEU 31 -2.473 0.368 -2.532 199 HG LEU 31 HG LEU 31 -1.264 2.190 -3.508 200 1HD1 LEU 31 1HD1 LEU 31 -0.131 0.765 -1.830 201 2HD1 LEU 31 2HD1 LEU 31 0.632 -0.114 -3.157 202 3HD1 LEU 31 3HD1 LEU 31 0.980 1.600 -2.918 203 1HD2 LEU 31 1HD2 LEU 31 0.322 1.910 -5.323 204 2HD2 LEU 31 2HD2 LEU 31 -0.107 0.204 -5.449 205 3HD2 LEU 31 3HD2 LEU 31 -1.301 1.441 -5.841 206 H THR 32 H THR 32 -3.980 -2.088 -4.085 207 HA THR 32 HA THR 32 -6.615 -1.472 -3.058 208 HB THR 32 HB THR 32 -5.168 -4.106 -3.401 209 HG1 THR 32 1HG THR 32 -6.988 -4.215 -5.063 210 1HG2 THR 32 1HG2 THR 32 -7.382 -5.130 -3.032 211 2HG2 THR 32 2HG2 THR 32 -8.041 -3.535 -2.650 212 3HG2 THR 32 3HG2 THR 32 -6.807 -4.258 -1.613 213 H LEU 33 H LEU 33 -7.050 -1.233 -0.936 214 HA LEU 33 HA LEU 33 -4.926 -1.604 0.958 215 1HB LEU 33 2HB LEU 33 -7.339 -0.063 0.884 216 HG LEU 33 HG LEU 33 -5.368 1.082 1.479 217 1HD1 LEU 33 1HD1 LEU 33 -7.113 0.664 3.894 218 2HD1 LEU 33 2HD1 LEU 33 -5.861 1.906 3.786 219 3HD1 LEU 33 3HD1 LEU 33 -7.233 1.935 2.677 220 1HD2 LEU 33 1HD2 LEU 33 -5.000 -0.956 3.676 221 2HD2 LEU 33 2HD2 LEU 33 -4.020 -0.796 2.218 222 3HD2 LEU 33 3HD2 LEU 33 -4.002 0.478 3.439 223 H LEU 34 H LEU 34 -4.629 -3.277 2.230 224 HA LEU 34 HA LEU 34 -6.683 -5.384 2.332 225 1HB LEU 34 2HB LEU 34 -3.678 -5.528 2.587 226 HG LEU 34 HG LEU 34 -4.424 -5.313 0.238 227 1HD1 LEU 34 1HD1 LEU 34 -3.436 -8.075 0.898 228 2HD1 LEU 34 2HD1 LEU 34 -3.198 -7.192 -0.607 229 3HD1 LEU 34 3HD1 LEU 34 -2.430 -6.626 0.875 230 1HD2 LEU 34 1HD2 LEU 34 -6.644 -6.300 0.438 231 2HD2 LEU 34 2HD2 LEU 34 -5.696 -7.130 -0.793 232 3HD2 LEU 34 3HD2 LEU 34 -5.927 -7.870 0.790 233 H ASN 35 H ASN 35 -4.635 -3.281 4.147 234 HA ASN 35 HA ASN 35 -6.078 -3.858 6.570 235 1HB ASN 35 2HB ASN 35 -4.553 -5.412 7.228 236 1HD2 ASN 35 1HD2 ASN 35 -1.997 -3.071 6.812 237 2HD2 ASN 35 2HD2 ASN 35 -1.798 -2.728 8.494 238 H SER 36 H SER 36 -6.370 -2.014 7.655 239 HA SER 36 HA SER 36 -4.341 0.104 7.408 240 1HB SER 36 2HB SER 36 -6.288 1.740 7.471 241 HG SER 36 HG SER 36 -8.191 0.458 6.386 242 H THR 37 H THR 37 -5.611 -2.025 9.418 243 HA THR 37 HA THR 37 -6.383 -0.275 11.586 244 HB THR 37 HB THR 37 -7.639 -2.349 11.241 245 HG1 THR 37 1HG THR 37 -6.143 -2.408 13.680 246 1HG2 THR 37 1HG2 THR 37 -6.643 -4.525 11.744 247 2HG2 THR 37 2HG2 THR 37 -5.078 -3.757 12.003 248 3HG2 THR 37 3HG2 THR 37 -5.806 -3.751 10.397 249 H ASN 38 H ASN 38 -3.501 -1.374 10.388 250 HA ASN 38 HA ASN 38 -2.156 -1.380 12.989 251 1HB ASN 38 2HB ASN 38 -1.556 -3.043 11.150 252 1HD2 ASN 38 1HD2 ASN 38 1.105 -2.800 10.309 253 2HD2 ASN 38 2HD2 ASN 38 2.100 -2.771 11.728 254 H LYS 39 H LYS 39 -0.714 0.296 13.584 255 HA LYS 39 HA LYS 39 -1.548 2.800 12.412 256 1HB LYS 39 2HB LYS 39 -0.724 3.871 14.331 257 1HG LYS 39 2HG LYS 39 0.899 1.441 15.061 258 1HD LYS 39 2HD LYS 39 0.716 4.193 16.279 259 1HE LYS 39 2HE LYS 39 2.175 3.241 18.028 260 1HZ LYS 39 1HZ LYS 39 3.327 3.191 15.288 261 2HZ LYS 39 2HZ LYS 39 4.228 3.260 16.722 262 3HZ LYS 39 3HZ LYS 39 3.200 4.545 16.307 263 H ASP 40 H ASP 40 0.987 0.739 11.749 264 HA ASP 40 HA ASP 40 2.538 2.980 10.649 265 1HB ASP 40 2HB ASP 40 3.571 0.656 12.240 266 H TRP 41 H TRP 41 2.512 -0.594 10.494 267 HA TRP 41 HA TRP 41 3.136 -0.343 7.653 268 1HB TRP 41 2HB TRP 41 3.272 -2.676 9.556 269 HD1 TRP 41 HD TRP 41 5.262 -1.663 10.946 270 HE1 TRP 41 1HE TRP 41 7.699 -1.079 10.374 271 HE3 TRP 41 3HE TRP 41 4.981 -1.958 5.846 272 HZ2 TRP 41 2HZ TRP 41 9.294 -0.781 8.057 273 HZ3 TRP 41 3HZ TRP 41 7.008 -1.510 4.528 274 HH2 TRP 41 HH TRP 41 9.118 -0.934 5.614 275 H TRP 42 H TRP 42 1.513 -0.238 6.334 276 HA TRP 42 HA TRP 42 -0.981 -1.636 6.937 277 1HB TRP 42 2HB TRP 42 -0.207 0.418 4.877 278 HD1 TRP 42 HD TRP 42 -1.213 0.077 8.360 279 HE1 TRP 42 1HE TRP 42 -2.352 2.217 9.202 280 HE3 TRP 42 3HE TRP 42 -2.122 2.246 3.887 281 HZ2 TRP 42 2HZ TRP 42 -3.479 4.563 8.081 282 HZ3 TRP 42 3HZ TRP 42 -3.227 4.461 3.824 283 HH2 TRP 42 HH TRP 42 -3.887 5.590 5.886 284 H LYS 43 H LYS 43 -2.014 -2.810 5.104 285 HA LYS 43 HA LYS 43 0.034 -4.292 3.597 286 1HB LYS 43 2HB LYS 43 -1.425 -5.509 5.429 287 1HG LYS 43 2HG LYS 43 -1.250 -6.702 2.669 288 1HD LYS 43 2HD LYS 43 -1.168 -8.014 5.391 289 1HE LYS 43 2HE LYS 43 -1.396 -10.094 4.124 290 1HZ LYS 43 1HZ LYS 43 0.923 -8.411 3.387 291 2HZ LYS 43 2HZ LYS 43 0.815 -10.051 2.985 292 3HZ LYS 43 3HZ LYS 43 0.830 -9.577 4.614 293 H VAL 44 H VAL 44 -0.142 -4.220 1.456 294 HA VAL 44 HA VAL 44 -2.676 -3.323 0.283 295 HB VAL 44 HB VAL 44 -1.461 -1.751 -1.204 296 1HG1 VAL 44 1HG1 VAL 44 -1.216 -1.184 1.746 297 2HG1 VAL 44 2HG1 VAL 44 -1.146 0.028 0.466 298 3HG1 VAL 44 3HG1 VAL 44 -2.629 -0.888 0.735 299 1HG2 VAL 44 1HG2 VAL 44 0.855 -2.228 0.670 300 2HG2 VAL 44 2HG2 VAL 44 0.760 -2.753 -1.014 301 3HG2 VAL 44 3HG2 VAL 44 0.794 -1.031 -0.628 302 H GLU 45 H GLU 45 -2.663 -3.519 -2.083 303 HA GLU 45 HA GLU 45 -0.925 -5.698 -3.025 304 1HB GLU 45 2HB GLU 45 -3.188 -6.530 -2.660 305 1HG GLU 45 2HG GLU 45 -2.546 -6.133 -5.568 306 H VAL 46 H VAL 46 0.308 -5.101 -4.678 307 HA VAL 46 HA VAL 46 -0.696 -3.028 -6.513 308 HB VAL 46 HB VAL 46 2.222 -3.133 -6.074 309 1HG1 VAL 46 1HG1 VAL 46 1.633 -1.539 -7.618 310 2HG1 VAL 46 2HG1 VAL 46 0.148 -1.117 -6.764 311 3HG1 VAL 46 3HG1 VAL 46 1.703 -0.582 -6.134 312 1HG2 VAL 46 1HG2 VAL 46 1.501 -3.221 -3.768 313 2HG2 VAL 46 2HG2 VAL 46 2.119 -1.610 -4.141 314 3HG2 VAL 46 3HG2 VAL 46 0.379 -1.885 -4.040 315 H ASN 47 H ASN 47 -0.802 -3.778 -8.471 316 HA ASN 47 HA ASN 47 -0.733 -5.109 -10.246 317 1HB ASN 47 2HB ASN 47 1.368 -5.548 -11.323 318 1HD2 ASN 47 1HD2 ASN 47 2.981 -3.438 -9.194 319 2HD2 ASN 47 2HD2 ASN 47 4.246 -4.524 -8.731 320 H ASP 48 H ASP 48 1.704 -6.819 -8.253 321 HA ASP 48 HA ASP 48 -0.102 -9.067 -8.020 322 1HB ASP 48 2HB ASP 48 1.037 -9.459 -10.183 323 H ARG 49 H ARG 49 1.694 -6.985 -6.562 324 HA ARG 49 HA ARG 49 3.130 -8.862 -4.807 325 1HB ARG 49 2HB ARG 49 3.578 -5.911 -5.304 326 1HG ARG 49 2HG ARG 49 5.337 -8.292 -5.836 327 1HD ARG 49 2HD ARG 49 5.935 -5.339 -5.965 328 HE ARG 49 HE ARG 49 6.807 -6.343 -8.003 329 1HH1 ARG 49 2HH1 ARG 49 8.387 -7.172 -4.982 330 2HH1 ARG 49 1HH1 ARG 49 9.804 -7.807 -5.759 331 1HH2 ARG 49 2HH2 ARG 49 8.680 -7.136 -9.020 332 2HH2 ARG 49 1HH2 ARG 49 9.985 -7.775 -8.056 333 H GLN 50 H GLN 50 1.863 -9.381 -3.144 334 HA GLN 50 HA GLN 50 0.225 -7.277 -1.889 335 1HB GLN 50 2HB GLN 50 0.026 -10.217 -1.247 336 1HG GLN 50 2HG GLN 50 -1.512 -8.872 -3.465 337 1HE2 GLN 50 1HE2 GLN 50 -3.532 -9.496 -2.828 338 2HE2 GLN 50 2HE2 GLN 50 -4.020 -11.149 -2.684 339 H GLY 51 H GLY 51 1.093 -6.372 -0.129 340 1HA GLY 51 1HA GLY 51 2.480 -7.870 1.876 341 2HA GLY 51 2HA GLY 51 3.594 -7.002 0.826 342 H PHE 52 H PHE 52 4.284 -5.754 2.614 343 HA PHE 52 HA PHE 52 2.264 -3.934 3.721 344 1HB PHE 52 2HB PHE 52 4.863 -4.982 4.804 345 HD1 PHE 52 1HD PHE 52 2.084 -3.667 6.777 346 HD2 PHE 52 2HD PHE 52 3.848 -7.145 5.079 347 HE1 PHE 52 1HE PHE 52 0.659 -5.083 8.201 348 HE2 PHE 52 2HE PHE 52 2.428 -8.566 6.493 349 HZ PHE 52 HZ PHE 52 0.831 -7.467 8.128 350 H VAL 53 H VAL 53 2.646 -1.778 3.970 351 HA VAL 53 HA VAL 53 5.094 -0.585 2.865 352 HB VAL 53 HB VAL 53 3.794 1.246 1.823 353 1HG1 VAL 53 1HG1 VAL 53 3.047 0.044 -0.157 354 2HG1 VAL 53 2HG1 VAL 53 4.588 -0.581 0.440 355 3HG1 VAL 53 3HG1 VAL 53 3.096 -1.469 0.751 356 1HG2 VAL 53 1HG2 VAL 53 1.749 1.068 3.127 357 2HG2 VAL 53 2HG2 VAL 53 1.400 0.982 1.399 358 3HG2 VAL 53 3HG2 VAL 53 1.386 -0.487 2.377 359 HA PRO 54 HA PRO 54 4.543 2.067 6.444 360 1HB PRO 54 2HB PRO 54 5.559 4.418 5.194 361 1HG PRO 54 2HG PRO 54 7.021 3.644 3.637 362 1HD PRO 54 2HD PRO 54 5.383 2.423 2.603 363 H ALA 55 H ALA 55 2.815 3.082 7.192 364 HA ALA 55 HA ALA 55 0.668 3.876 5.593 365 1HB ALA 55 1HB ALA 55 1.277 4.637 8.445 366 2HB ALA 55 2HB ALA 55 -0.292 4.785 7.653 367 3HB ALA 55 3HB ALA 55 0.419 3.193 7.913 368 H ALA 56 H ALA 56 3.489 5.606 6.507 369 HA ALA 56 HA ALA 56 2.313 8.221 6.047 370 1HB ALA 56 1HB ALA 56 4.550 9.061 6.615 371 2HB ALA 56 2HB ALA 56 3.914 7.969 7.847 372 3HB ALA 56 3HB ALA 56 5.132 7.398 6.705 373 H TYR 57 H TYR 57 3.140 5.881 4.020 374 HA TYR 57 HA TYR 57 4.420 7.678 2.065 375 1HB TYR 57 2HB TYR 57 4.543 4.700 2.434 376 HD1 TYR 57 1HD TYR 57 7.152 4.870 0.632 377 HD2 TYR 57 2HD TYR 57 5.798 6.882 4.124 378 HE1 TYR 57 1HE TYR 57 9.483 5.278 1.299 379 HE2 TYR 57 2HE TYR 57 8.122 7.290 4.796 380 HH TYR 57 HH TYR 57 10.764 6.804 2.692 381 H VAL 58 H VAL 58 1.655 5.775 2.774 382 HA VAL 58 HA VAL 58 0.580 6.312 0.090 383 HB VAL 58 HB VAL 58 -1.020 4.474 0.510 384 1HG1 VAL 58 1HG1 VAL 58 1.016 4.008 -0.713 385 2HG1 VAL 58 2HG1 VAL 58 1.893 3.744 0.797 386 3HG1 VAL 58 3HG1 VAL 58 0.611 2.631 0.312 387 1HG2 VAL 58 1HG2 VAL 58 -0.622 2.933 2.383 388 2HG2 VAL 58 2HG2 VAL 58 0.609 4.032 3.010 389 3HG2 VAL 58 3HG2 VAL 58 -1.078 4.543 2.939 390 H LYS 59 H LYS 59 -1.613 6.988 -0.055 391 HA LYS 59 HA LYS 59 -2.521 8.396 2.371 392 1HB LYS 59 2HB LYS 59 -1.742 9.947 0.636 393 1HG LYS 59 2HG LYS 59 -4.733 9.922 0.941 394 1HD LYS 59 2HD LYS 59 -2.931 12.122 -0.063 395 1HE LYS 59 2HE LYS 59 -4.719 12.996 1.323 396 1HZ LYS 59 1HZ LYS 59 -7.033 12.652 0.668 397 2HZ LYS 59 2HZ LYS 59 -6.310 11.207 1.186 398 3HZ LYS 59 3HZ LYS 59 -6.546 11.494 -0.470 399 H LYS 60 H LYS 60 -4.658 8.303 2.893 400 HA LYS 60 HA LYS 60 -6.216 6.156 1.879 401 1HB LYS 60 2HB LYS 60 -7.024 8.518 3.592 402 1HG LYS 60 2HG LYS 60 -5.370 6.891 4.604 403 1HD LYS 60 2HD LYS 60 -6.224 4.789 3.750 404 1HE LYS 60 2HE LYS 60 -8.366 3.922 4.908 405 1HZ LYS 60 1HZ LYS 60 -8.213 4.328 2.523 406 2HZ LYS 60 2HZ LYS 60 -8.628 5.950 2.770 407 3HZ LYS 60 3HZ LYS 60 -9.739 4.734 3.132 408 H LEU 61 H LEU 61 -7.220 6.119 -0.016 409 HA LEU 61 HA LEU 61 -8.242 8.593 -1.182 410 1HB LEU 61 2HB LEU 61 -8.119 5.747 -2.180 411 HG LEU 61 HG LEU 61 -5.972 7.134 -2.336 412 1HD1 LEU 61 1HD1 LEU 61 -6.422 5.157 -3.699 413 2HD1 LEU 61 2HD1 LEU 61 -7.277 6.156 -4.877 414 3HD1 LEU 61 3HD1 LEU 61 -5.548 6.385 -4.617 415 1HD2 LEU 61 1HD2 LEU 61 -5.956 8.709 -4.275 416 2HD2 LEU 61 2HD2 LEU 61 -7.717 8.657 -4.269 417 3HD2 LEU 61 3HD2 LEU 61 -6.847 9.291 -2.871 418 H ASP 62 H ASP 62 -9.337 7.803 1.239 419 HA ASP 62 HA ASP 62 -12.106 7.198 0.539 420 1HB ASP 62 2HB ASP 62 -11.211 5.037 1.170 Start of MODEL 7 1 1H MET 1 1H MET 1 -15.429 -2.924 -2.652 2 2H MET 1 2H MET 1 -17.081 -2.832 -2.287 3 3H MET 1 3H MET 1 -16.403 -4.304 -2.786 4 HA MET 1 HA MET 1 -15.802 -2.849 -0.282 5 1HB MET 1 2HB MET 1 -17.986 -3.905 -0.223 6 1HG MET 1 2HG MET 1 -17.762 -5.461 1.600 7 1HE MET 1 1HE MET 1 -16.086 -3.749 4.670 8 2HE MET 1 2HE MET 1 -17.242 -4.963 4.118 9 3HE MET 1 3HE MET 1 -15.517 -5.189 3.825 10 H ASP 2 H ASP 2 -15.142 -5.740 -2.278 11 HA ASP 2 HA ASP 2 -12.936 -6.380 -0.422 12 1HB ASP 2 2HB ASP 2 -12.906 -8.635 -1.387 13 H GLU 3 H GLU 3 -13.616 -6.187 -3.912 14 HA GLU 3 HA GLU 3 -10.898 -5.256 -4.331 15 1HB GLU 3 2HB GLU 3 -10.838 -7.751 -4.550 16 1HG GLU 3 2HG GLU 3 -10.409 -6.318 -7.162 17 H THR 4 H THR 4 -10.666 -4.442 -6.674 18 HA THR 4 HA THR 4 -11.408 -3.113 -8.434 19 HB THR 4 HB THR 4 -14.140 -4.348 -8.001 20 HG1 THR 4 1HG THR 4 -11.804 -5.291 -9.325 21 1HG2 THR 4 1HG2 THR 4 -12.813 -3.143 -10.434 22 2HG2 THR 4 2HG2 THR 4 -14.097 -2.396 -9.483 23 3HG2 THR 4 3HG2 THR 4 -14.417 -3.875 -10.389 24 H GLY 5 H GLY 5 -13.154 -3.077 -5.425 25 1HA GLY 5 1HA GLY 5 -13.219 -0.192 -5.495 26 2HA GLY 5 2HA GLY 5 -14.803 -0.961 -5.470 27 H LYS 6 H LYS 6 -12.872 0.570 -3.548 28 HA LYS 6 HA LYS 6 -13.930 -0.264 -1.135 29 1HB LYS 6 2HB LYS 6 -12.112 -1.433 -0.034 30 1HG LYS 6 2HG LYS 6 -10.647 -1.792 -2.619 31 1HD LYS 6 2HD LYS 6 -8.934 -2.663 -1.344 32 1HE LYS 6 2HE LYS 6 -11.200 -3.943 -1.018 33 1HZ LYS 6 1HZ LYS 6 -12.046 -2.820 0.878 34 2HZ LYS 6 2HZ LYS 6 -10.590 -2.964 1.716 35 3HZ LYS 6 3HZ LYS 6 -11.529 -4.344 1.409 36 H GLU 7 H GLU 7 -11.675 0.236 0.536 37 HA GLU 7 HA GLU 7 -11.628 2.978 0.720 38 1HB GLU 7 2HB GLU 7 -9.456 1.058 1.593 39 1HG GLU 7 2HG GLU 7 -10.481 1.309 3.830 40 H LEU 8 H LEU 8 -9.161 0.880 -0.741 41 HA LEU 8 HA LEU 8 -7.509 1.213 -2.239 42 1HB LEU 8 2HB LEU 8 -9.354 3.433 -3.106 43 HG LEU 8 HG LEU 8 -10.187 1.085 -3.450 44 1HD1 LEU 8 1HD1 LEU 8 -9.589 2.736 -5.900 45 2HD1 LEU 8 2HD1 LEU 8 -10.786 1.443 -5.808 46 3HD1 LEU 8 3HD1 LEU 8 -10.983 2.899 -4.834 47 1HD2 LEU 8 1HD2 LEU 8 -7.809 0.939 -5.300 48 2HD2 LEU 8 2HD2 LEU 8 -8.070 -0.029 -3.848 49 3HD2 LEU 8 3HD2 LEU 8 -9.133 -0.226 -5.241 50 H VAL 9 H VAL 9 -5.503 2.064 -2.101 51 HA VAL 9 HA VAL 9 -5.311 4.683 -0.789 52 HB VAL 9 HB VAL 9 -2.991 3.915 -0.044 53 1HG1 VAL 9 1HG1 VAL 9 -5.448 2.646 1.152 54 2HG1 VAL 9 2HG1 VAL 9 -3.898 2.849 1.967 55 3HG1 VAL 9 3HG1 VAL 9 -4.837 4.266 1.495 56 1HG2 VAL 9 1HG2 VAL 9 -2.814 1.926 -1.425 57 2HG2 VAL 9 2HG2 VAL 9 -2.738 1.492 0.284 58 3HG2 VAL 9 3HG2 VAL 9 -4.224 1.227 -0.629 59 H LEU 10 H LEU 10 -3.999 6.173 -1.575 60 HA LEU 10 HA LEU 10 -2.961 5.705 -4.260 61 1HB LEU 10 2HB LEU 10 -4.257 7.578 -4.393 62 HG LEU 10 HG LEU 10 -1.595 8.639 -3.567 63 1HD1 LEU 10 1HD1 LEU 10 -1.493 9.308 -5.899 64 2HD1 LEU 10 2HD1 LEU 10 -1.811 7.578 -5.749 65 3HD1 LEU 10 3HD1 LEU 10 -3.123 8.682 -6.159 66 1HD2 LEU 10 1HD2 LEU 10 -3.166 10.281 -2.764 67 2HD2 LEU 10 2HD2 LEU 10 -2.376 10.884 -4.221 68 3HD2 LEU 10 3HD2 LEU 10 -4.025 10.258 -4.304 69 H ALA 11 H ALA 11 -0.856 5.306 -4.490 70 HA ALA 11 HA ALA 11 1.019 5.549 -2.387 71 1HB ALA 11 1HB ALA 11 2.672 4.881 -4.034 72 2HB ALA 11 2HB ALA 11 1.211 3.908 -4.219 73 3HB ALA 11 3HB ALA 11 1.542 5.225 -5.345 74 H LEU 12 H LEU 12 2.033 7.309 -1.675 75 HA LEU 12 HA LEU 12 1.852 9.775 -3.218 76 1HB LEU 12 2HB LEU 12 3.025 9.306 -0.474 77 HG LEU 12 HG LEU 12 0.588 8.827 -0.466 78 1HD1 LEU 12 1HD1 LEU 12 1.369 11.422 0.850 79 2HD1 LEU 12 2HD1 LEU 12 0.004 10.403 1.303 80 3HD1 LEU 12 3HD1 LEU 12 1.651 9.803 1.490 81 1HD2 LEU 12 1HD2 LEU 12 -1.002 10.603 -0.959 82 2HD2 LEU 12 2HD2 LEU 12 0.317 11.672 -1.439 83 3HD2 LEU 12 3HD2 LEU 12 -0.037 10.227 -2.386 84 H TYR 13 H TYR 13 4.276 7.523 -2.066 85 HA TYR 13 HA TYR 13 6.308 9.101 -3.472 86 1HB TYR 13 2HB TYR 13 6.920 7.603 -0.934 87 HD1 TYR 13 1HD TYR 13 6.145 8.244 1.112 88 HD2 TYR 13 2HD TYR 13 6.153 11.118 -2.011 89 HE1 TYR 13 1HE TYR 13 5.142 9.888 2.637 90 HE2 TYR 13 2HE TYR 13 5.151 12.773 -0.504 91 HH TYR 13 HH TYR 13 4.914 12.256 2.894 92 H ASP 14 H ASP 14 7.935 7.896 -4.501 93 HA ASP 14 HA ASP 14 7.363 5.224 -5.241 94 1HB ASP 14 2HB ASP 14 8.703 6.412 -6.759 95 H TYR 15 H TYR 15 7.837 3.354 -4.352 96 HA TYR 15 HA TYR 15 9.528 3.386 -1.940 97 1HB TYR 15 2HB TYR 15 7.107 3.396 -1.345 98 HD1 TYR 15 1HD TYR 15 9.021 3.365 0.515 99 HD2 TYR 15 2HD TYR 15 7.050 -0.081 -1.012 100 HE1 TYR 15 1HE TYR 15 9.629 2.125 2.541 101 HE2 TYR 15 2HE TYR 15 7.670 -1.331 0.999 102 HH TYR 15 HH TYR 15 8.871 0.166 3.807 103 H GLN 16 H GLN 16 11.146 2.028 -2.099 104 HA GLN 16 HA GLN 16 10.831 -0.376 -3.743 105 1HB GLN 16 2HB GLN 16 12.764 1.070 -4.256 106 1HG GLN 16 2HG GLN 16 14.503 -0.528 -4.306 107 1HE2 GLN 16 1HE2 GLN 16 12.111 -2.788 -3.265 108 2HE2 GLN 16 2HE2 GLN 16 11.585 -3.286 -4.842 109 H GLU 17 H GLU 17 10.121 -2.048 -2.657 110 HA GLU 17 HA GLU 17 10.101 -2.491 0.068 111 1HB GLU 17 2HB GLU 17 9.648 -4.816 -0.449 112 1HG GLU 17 2HG GLU 17 10.781 -4.195 -3.158 113 H LYS 18 H LYS 18 11.556 -3.153 1.552 114 HA LYS 18 HA LYS 18 14.265 -3.731 0.605 115 1HB LYS 18 2HB LYS 18 15.071 -2.929 2.581 116 1HG LYS 18 2HG LYS 18 12.764 -4.262 3.928 117 1HD LYS 18 2HD LYS 18 14.838 -2.453 5.160 118 1HE LYS 18 2HE LYS 18 13.573 -2.928 7.263 119 1HZ LYS 18 1HZ LYS 18 14.848 -5.300 6.003 120 2HZ LYS 18 2HZ LYS 18 14.594 -5.074 7.664 121 3HZ LYS 18 3HZ LYS 18 15.660 -4.061 6.826 122 H SER 19 H SER 19 11.522 -5.383 1.607 123 HA SER 19 HA SER 19 13.012 -7.882 1.788 124 1HB SER 19 2HB SER 19 11.818 -8.561 3.822 125 HG SER 19 HG SER 19 10.766 -5.934 4.012 126 HA PRO 20 HA PRO 20 9.643 -9.294 -0.756 127 1HB PRO 20 2HB PRO 20 9.472 -11.915 0.010 128 1HG PRO 20 2HG PRO 20 10.883 -11.862 1.840 129 1HD PRO 20 2HD PRO 20 12.302 -10.089 2.247 130 H ALA 21 H ALA 21 9.321 -8.848 2.496 131 HA ALA 21 HA ALA 21 6.554 -9.774 2.613 132 1HB ALA 21 1HB ALA 21 6.607 -8.987 4.945 133 2HB ALA 21 2HB ALA 21 7.904 -10.136 4.608 134 3HB ALA 21 3HB ALA 21 8.257 -8.411 4.701 135 H GLU 22 H GLU 22 8.435 -7.080 1.865 136 HA GLU 22 HA GLU 22 6.247 -5.157 2.091 137 1HB GLU 22 2HB GLU 22 9.151 -4.926 1.286 138 1HG GLU 22 2HG GLU 22 7.853 -3.347 3.433 139 H VAL 23 H VAL 23 6.042 -3.710 0.041 140 HA VAL 23 HA VAL 23 6.574 -5.290 -2.377 141 HB VAL 23 HB VAL 23 4.477 -5.033 -3.319 142 1HG1 VAL 23 1HG1 VAL 23 4.374 -6.606 -1.484 143 2HG1 VAL 23 2HG1 VAL 23 3.865 -5.314 -0.402 144 3HG1 VAL 23 3HG1 VAL 23 2.827 -5.800 -1.743 145 1HG2 VAL 23 1HG2 VAL 23 4.146 -2.694 -3.052 146 2HG2 VAL 23 2HG2 VAL 23 2.724 -3.535 -2.436 147 3HG2 VAL 23 3HG2 VAL 23 3.913 -2.881 -1.318 148 H THR 24 H THR 24 7.070 -4.153 -4.190 149 HA THR 24 HA THR 24 7.983 -1.445 -3.860 150 HB THR 24 HB THR 24 7.901 -3.151 -6.360 151 HG1 THR 24 1HG THR 24 9.104 -4.097 -4.592 152 1HG2 THR 24 1HG2 THR 24 9.733 -1.695 -7.118 153 2HG2 THR 24 2HG2 THR 24 9.567 -0.734 -5.652 154 3HG2 THR 24 3HG2 THR 24 8.256 -0.778 -6.828 155 H MET 25 H MET 25 6.960 0.381 -4.506 156 HA MET 25 HA MET 25 4.694 0.173 -6.342 157 1HB MET 25 2HB MET 25 3.171 1.324 -4.936 158 1HG MET 25 2HG MET 25 5.423 1.722 -2.978 159 1HE MET 25 1HE MET 25 5.023 3.164 -0.781 160 2HE MET 25 2HE MET 25 4.199 4.394 -1.738 161 3HE MET 25 3HE MET 25 3.439 3.756 -0.281 162 H LYS 26 H LYS 26 4.274 2.042 -7.491 163 HA LYS 26 HA LYS 26 6.219 4.225 -7.145 164 1HB LYS 26 2HB LYS 26 4.729 3.201 -9.552 165 1HG LYS 26 2HG LYS 26 7.068 2.393 -8.960 166 1HD LYS 26 2HD LYS 26 7.745 5.162 -9.955 167 1HE LYS 26 2HE LYS 26 9.237 3.365 -10.796 168 1HZ LYS 26 1HZ LYS 26 9.715 2.909 -7.905 169 2HZ LYS 26 2HZ LYS 26 10.712 2.312 -9.139 170 3HZ LYS 26 3HZ LYS 26 9.099 1.786 -9.022 171 H LYS 27 H LYS 27 5.524 6.237 -6.787 172 HA LYS 27 HA LYS 27 3.025 6.770 -5.737 173 1HB LYS 27 2HB LYS 27 3.720 8.952 -5.485 174 1HG LYS 27 2HG LYS 27 3.926 9.471 -7.910 175 1HD LYS 27 2HD LYS 27 6.762 8.515 -7.510 176 1HE LYS 27 2HE LYS 27 5.422 9.773 -9.895 177 1HZ LYS 27 1HZ LYS 27 8.228 8.891 -9.501 178 2HZ LYS 27 2HZ LYS 27 7.640 9.736 -10.847 179 3HZ LYS 27 3HZ LYS 27 7.091 8.164 -10.530 180 H GLY 28 H GLY 28 1.212 7.795 -6.484 181 1HA GLY 28 1HA GLY 28 -0.205 8.721 -8.123 182 2HA GLY 28 2HA GLY 28 0.988 8.320 -9.348 183 H ASP 29 H ASP 29 1.008 5.554 -7.869 184 HA ASP 29 HA ASP 29 -1.087 4.413 -9.525 185 1HB ASP 29 2HB ASP 29 1.132 3.182 -7.890 186 H ILE 30 H ILE 30 -2.804 3.204 -8.747 187 HA ILE 30 HA ILE 30 -3.547 3.865 -5.982 188 HB ILE 30 HB ILE 30 -5.369 2.830 -8.154 189 1HG1 ILE 30 2HG1 ILE 30 -4.456 4.929 -8.941 190 1HG2 ILE 30 1HG2 ILE 30 -7.149 3.722 -6.743 191 2HG2 ILE 30 2HG2 ILE 30 -6.182 2.527 -5.878 192 3HG2 ILE 30 3HG2 ILE 30 -5.953 4.248 -5.559 193 1HD1 ILE 30 1HD1 ILE 30 -4.681 7.009 -7.725 194 2HD1 ILE 30 2HD1 ILE 30 -5.309 6.135 -6.326 195 3HD1 ILE 30 3HD1 ILE 30 -3.647 5.876 -6.853 196 H LEU 31 H LEU 31 -3.236 2.310 -4.547 197 HA LEU 31 HA LEU 31 -3.010 -0.458 -5.503 198 1HB LEU 31 2HB LEU 31 -2.359 0.258 -2.698 199 HG LEU 31 HG LEU 31 -1.139 2.068 -3.684 200 1HD1 LEU 31 1HD1 LEU 31 0.706 -0.277 -3.317 201 2HD1 LEU 31 2HD1 LEU 31 1.109 1.430 -3.114 202 3HD1 LEU 31 3HD1 LEU 31 -0.022 0.652 -2.004 203 1HD2 LEU 31 1HD2 LEU 31 0.048 0.089 -5.625 204 2HD2 LEU 31 2HD2 LEU 31 -1.194 1.273 -6.033 205 3HD2 LEU 31 3HD2 LEU 31 0.405 1.814 -5.517 206 H THR 32 H THR 32 -3.932 -2.161 -4.182 207 HA THR 32 HA THR 32 -6.547 -1.453 -3.145 208 HB THR 32 HB THR 32 -5.220 -4.156 -3.475 209 HG1 THR 32 1HG THR 32 -5.823 -3.853 -5.482 210 1HG2 THR 32 1HG2 THR 32 -7.516 -5.049 -3.140 211 2HG2 THR 32 2HG2 THR 32 -8.048 -3.424 -2.704 212 3HG2 THR 32 3HG2 THR 32 -6.861 -4.264 -1.700 213 H LEU 33 H LEU 33 -7.008 -1.228 -1.028 214 HA LEU 33 HA LEU 33 -4.878 -1.568 0.879 215 1HB LEU 33 2HB LEU 33 -7.092 0.135 0.706 216 HG LEU 33 HG LEU 33 -5.230 1.098 1.682 217 1HD1 LEU 33 1HD1 LEU 33 -7.088 0.432 3.954 218 2HD1 LEU 33 2HD1 LEU 33 -5.859 1.698 3.975 219 3HD1 LEU 33 3HD1 LEU 33 -7.213 1.801 2.847 220 1HD2 LEU 33 1HD2 LEU 33 -4.028 0.181 3.605 221 2HD2 LEU 33 2HD2 LEU 33 -5.108 -1.212 3.616 222 3HD2 LEU 33 3HD2 LEU 33 -4.034 -0.941 2.245 223 H LEU 34 H LEU 34 -4.627 -3.161 2.228 224 HA LEU 34 HA LEU 34 -6.704 -5.242 2.372 225 1HB LEU 34 2HB LEU 34 -3.711 -5.378 2.732 226 HG LEU 34 HG LEU 34 -4.485 -5.250 0.347 227 1HD1 LEU 34 1HD1 LEU 34 -3.086 -7.066 -0.388 228 2HD1 LEU 34 2HD1 LEU 34 -2.387 -6.345 1.060 229 3HD1 LEU 34 3HD1 LEU 34 -3.255 -7.877 1.170 230 1HD2 LEU 34 1HD2 LEU 34 -5.742 -7.912 1.004 231 2HD2 LEU 34 2HD2 LEU 34 -6.610 -6.426 0.611 232 3HD2 LEU 34 3HD2 LEU 34 -5.592 -7.201 -0.603 233 H ASN 35 H ASN 35 -4.364 -3.379 4.231 234 HA ASN 35 HA ASN 35 -5.948 -3.818 6.643 235 1HB ASN 35 2HB ASN 35 -4.422 -5.394 7.275 236 1HD2 ASN 35 1HD2 ASN 35 -1.883 -3.022 6.952 237 2HD2 ASN 35 2HD2 ASN 35 -1.716 -2.704 8.641 238 H SER 36 H SER 36 -6.173 -2.022 7.817 239 HA SER 36 HA SER 36 -4.151 0.089 7.598 240 1HB SER 36 2HB SER 36 -6.102 1.744 7.634 241 HG SER 36 HG SER 36 -7.963 0.790 7.843 242 H THR 37 H THR 37 -5.281 -2.025 9.595 243 HA THR 37 HA THR 37 -6.244 -0.328 11.736 244 HB THR 37 HB THR 37 -7.230 -2.583 11.342 245 HG1 THR 37 1HG THR 37 -6.866 -1.417 13.559 246 1HG2 THR 37 1HG2 THR 37 -6.035 -4.578 12.060 247 2HG2 THR 37 2HG2 THR 37 -4.610 -3.610 12.435 248 3HG2 THR 37 3HG2 THR 37 -5.147 -3.774 10.764 249 H ASN 38 H ASN 38 -3.267 -1.561 10.627 250 HA ASN 38 HA ASN 38 -1.913 -1.301 13.187 251 1HB ASN 38 2HB ASN 38 -1.258 -3.032 11.462 252 1HD2 ASN 38 1HD2 ASN 38 1.370 -2.644 10.473 253 2HD2 ASN 38 2HD2 ASN 38 2.418 -2.473 11.848 254 H LYS 39 H LYS 39 -0.763 0.472 13.822 255 HA LYS 39 HA LYS 39 -1.397 2.910 12.442 256 1HB LYS 39 2HB LYS 39 -0.637 4.044 14.353 257 1HG LYS 39 2HG LYS 39 1.029 1.632 15.056 258 1HD LYS 39 2HD LYS 39 0.545 4.192 16.566 259 1HE LYS 39 2HE LYS 39 2.873 3.739 16.734 260 1HZ LYS 39 1HZ LYS 39 3.036 1.541 15.896 261 2HZ LYS 39 2HZ LYS 39 2.085 0.910 17.148 262 3HZ LYS 39 3HZ LYS 39 3.637 1.500 17.482 263 H ASP 40 H ASP 40 1.157 0.732 12.143 264 HA ASP 40 HA ASP 40 3.013 2.858 11.295 265 1HB ASP 40 2HB ASP 40 3.684 0.031 12.138 266 H TRP 41 H TRP 41 2.453 -0.582 10.602 267 HA TRP 41 HA TRP 41 3.160 -0.053 7.803 268 1HB TRP 41 2HB TRP 41 3.371 -2.534 9.502 269 HD1 TRP 41 HD TRP 41 5.342 -1.311 10.880 270 HE1 TRP 41 1HE TRP 41 7.793 -0.813 10.260 271 HE3 TRP 41 3HE TRP 41 5.050 -1.969 5.819 272 HZ2 TRP 41 2HZ TRP 41 9.385 -0.714 7.936 273 HZ3 TRP 41 3HZ TRP 41 7.081 -1.652 4.469 274 HH2 TRP 41 HH TRP 41 9.202 -1.038 5.505 275 H TRP 42 H TRP 42 1.710 -0.301 6.256 276 HA TRP 42 HA TRP 42 -0.858 -1.566 6.941 277 1HB TRP 42 2HB TRP 42 -0.093 0.550 4.949 278 HD1 TRP 42 HD TRP 42 -0.975 0.181 8.376 279 HE1 TRP 42 1HE TRP 42 -2.353 2.160 9.260 280 HE3 TRP 42 3HE TRP 42 -2.396 2.159 3.933 281 HZ2 TRP 42 2HZ TRP 42 -3.859 4.303 8.187 282 HZ3 TRP 42 3HZ TRP 42 -3.811 4.187 3.920 283 HH2 TRP 42 HH TRP 42 -4.523 5.235 6.014 284 H LYS 43 H LYS 43 -1.921 -2.726 5.112 285 HA LYS 43 HA LYS 43 0.107 -4.234 3.598 286 1HB LYS 43 2HB LYS 43 -1.339 -5.405 5.477 287 1HG LYS 43 2HG LYS 43 -1.200 -6.703 2.771 288 1HD LYS 43 2HD LYS 43 -0.874 -7.942 5.512 289 1HE LYS 43 2HE LYS 43 -0.044 -9.310 3.598 290 1HZ LYS 43 1HZ LYS 43 -1.593 -8.502 1.911 291 2HZ LYS 43 2HZ LYS 43 -2.874 -9.272 2.708 292 3HZ LYS 43 3HZ LYS 43 -1.611 -10.190 2.040 293 H VAL 44 H VAL 44 -0.075 -4.157 1.464 294 HA VAL 44 HA VAL 44 -2.634 -3.302 0.302 295 HB VAL 44 HB VAL 44 -1.432 -1.787 -1.249 296 1HG1 VAL 44 1HG1 VAL 44 -1.084 -1.107 1.669 297 2HG1 VAL 44 2HG1 VAL 44 -1.108 0.045 0.334 298 3HG1 VAL 44 3HG1 VAL 44 -2.554 -0.886 0.720 299 1HG2 VAL 44 1HG2 VAL 44 0.785 -2.799 -1.086 300 2HG2 VAL 44 2HG2 VAL 44 0.846 -1.074 -0.726 301 3HG2 VAL 44 3HG2 VAL 44 0.919 -2.251 0.585 302 H GLU 45 H GLU 45 -2.753 -3.670 -2.013 303 HA GLU 45 HA GLU 45 -0.960 -5.821 -2.921 304 1HB GLU 45 2HB GLU 45 -3.225 -6.658 -2.629 305 1HG GLU 45 2HG GLU 45 -2.438 -6.262 -5.502 306 H VAL 46 H VAL 46 0.251 -5.351 -4.584 307 HA VAL 46 HA VAL 46 -0.602 -3.323 -6.530 308 HB VAL 46 HB VAL 46 2.285 -3.433 -5.858 309 1HG1 VAL 46 1HG1 VAL 46 0.374 -1.339 -6.793 310 2HG1 VAL 46 2HG1 VAL 46 1.974 -0.916 -6.187 311 3HG1 VAL 46 3HG1 VAL 46 1.814 -1.966 -7.593 312 1HG2 VAL 46 1HG2 VAL 46 0.315 -2.007 -4.095 313 2HG2 VAL 46 2HG2 VAL 46 1.375 -3.339 -3.634 314 3HG2 VAL 46 3HG2 VAL 46 2.060 -1.770 -4.061 315 H ASN 47 H ASN 47 -0.049 -3.908 -8.633 316 HA ASN 47 HA ASN 47 0.168 -5.363 -10.301 317 1HB ASN 47 2HB ASN 47 2.337 -6.575 -10.551 318 1HD2 ASN 47 1HD2 ASN 47 3.662 -4.184 -8.513 319 2HD2 ASN 47 2HD2 ASN 47 4.469 -5.253 -7.419 320 H ASP 48 H ASP 48 1.658 -7.598 -7.957 321 HA ASP 48 HA ASP 48 -0.888 -8.908 -7.597 322 1HB ASP 48 2HB ASP 48 -0.237 -11.082 -8.329 323 H ARG 49 H ARG 49 1.876 -7.730 -6.393 324 HA ARG 49 HA ARG 49 2.385 -9.846 -4.476 325 1HB ARG 49 2HB ARG 49 4.241 -8.599 -5.681 326 1HG ARG 49 2HG ARG 49 4.816 -7.948 -2.893 327 1HD ARG 49 2HD ARG 49 6.691 -9.556 -3.325 328 HE ARG 49 HE ARG 49 7.121 -7.225 -3.893 329 1HH1 ARG 49 2HH1 ARG 49 6.351 -9.332 -6.593 330 2HH1 ARG 49 1HH1 ARG 49 7.296 -8.424 -7.729 331 1HH2 ARG 49 2HH2 ARG 49 8.362 -6.049 -5.367 332 2HH2 ARG 49 1HH2 ARG 49 8.462 -6.561 -7.032 333 H GLN 50 H GLN 50 1.279 -9.895 -2.686 334 HA GLN 50 HA GLN 50 0.037 -7.431 -1.674 335 1HB GLN 50 2HB GLN 50 -0.505 -10.230 -0.677 336 1HG GLN 50 2HG GLN 50 -1.995 -8.940 -2.956 337 1HE2 GLN 50 1HE2 GLN 50 -4.022 -9.451 -2.301 338 2HE2 GLN 50 2HE2 GLN 50 -4.571 -11.067 -2.040 339 H GLY 51 H GLY 51 1.271 -6.404 -0.245 340 1HA GLY 51 1HA GLY 51 2.568 -7.907 1.895 341 2HA GLY 51 2HA GLY 51 3.622 -7.043 0.780 342 H PHE 52 H PHE 52 4.345 -5.850 2.646 343 HA PHE 52 HA PHE 52 2.360 -3.984 3.734 344 1HB PHE 52 2HB PHE 52 4.946 -5.057 4.791 345 HD1 PHE 52 1HD PHE 52 2.223 -3.517 6.707 346 HD2 PHE 52 2HD PHE 52 3.900 -7.149 5.259 347 HE1 PHE 52 1HE PHE 52 0.770 -4.796 8.229 348 HE2 PHE 52 2HE PHE 52 2.450 -8.430 6.770 349 HZ PHE 52 HZ PHE 52 0.885 -7.168 8.331 350 H VAL 53 H VAL 53 2.696 -1.848 3.906 351 HA VAL 53 HA VAL 53 5.150 -0.626 2.851 352 HB VAL 53 HB VAL 53 3.829 1.187 1.783 353 1HG1 VAL 53 1HG1 VAL 53 4.692 -0.614 0.403 354 2HG1 VAL 53 2HG1 VAL 53 3.226 -1.552 0.698 355 3HG1 VAL 53 3HG1 VAL 53 3.138 -0.042 -0.208 356 1HG2 VAL 53 1HG2 VAL 53 1.445 0.821 1.296 357 2HG2 VAL 53 2HG2 VAL 53 1.467 -0.609 2.328 358 3HG2 VAL 53 3HG2 VAL 53 1.760 0.984 3.024 359 HA PRO 54 HA PRO 54 4.531 1.951 6.458 360 1HB PRO 54 2HB PRO 54 5.462 4.356 5.233 361 1HG PRO 54 2HG PRO 54 6.972 3.646 3.692 362 1HD PRO 54 2HD PRO 54 5.366 2.403 2.624 363 H ALA 55 H ALA 55 2.774 2.939 7.240 364 HA ALA 55 HA ALA 55 0.580 3.652 5.668 365 1HB ALA 55 1HB ALA 55 -0.382 4.567 7.702 366 2HB ALA 55 2HB ALA 55 0.459 3.057 8.055 367 3HB ALA 55 3HB ALA 55 1.207 4.600 8.467 368 H ALA 56 H ALA 56 3.339 5.520 6.638 369 HA ALA 56 HA ALA 56 2.123 8.083 6.131 370 1HB ALA 56 1HB ALA 56 3.828 7.839 7.858 371 2HB ALA 56 2HB ALA 56 5.006 7.355 6.638 372 3HB ALA 56 3HB ALA 56 4.340 8.989 6.623 373 H TYR 57 H TYR 57 3.016 5.741 4.055 374 HA TYR 57 HA TYR 57 4.197 7.608 2.109 375 1HB TYR 57 2HB TYR 57 4.566 4.679 2.537 376 HD1 TYR 57 1HD TYR 57 6.966 5.172 0.413 377 HD2 TYR 57 2HD TYR 57 5.769 6.879 4.118 378 HE1 TYR 57 1HE TYR 57 9.291 5.854 0.840 379 HE2 TYR 57 2HE TYR 57 8.089 7.558 4.565 380 HH TYR 57 HH TYR 57 10.397 6.837 3.853 381 H VAL 58 H VAL 58 1.393 5.914 2.847 382 HA VAL 58 HA VAL 58 0.413 6.336 0.108 383 HB VAL 58 HB VAL 58 -1.227 4.538 0.500 384 1HG1 VAL 58 1HG1 VAL 58 1.669 3.793 0.889 385 2HG1 VAL 58 2HG1 VAL 58 0.395 2.646 0.458 386 3HG1 VAL 58 3HG1 VAL 58 0.804 3.963 -0.641 387 1HG2 VAL 58 1HG2 VAL 58 -1.367 4.681 2.935 388 2HG2 VAL 58 2HG2 VAL 58 -0.975 3.038 2.422 389 3HG2 VAL 58 3HG2 VAL 58 0.287 4.085 3.072 390 H LYS 59 H LYS 59 -1.797 7.011 -0.082 391 HA LYS 59 HA LYS 59 -2.785 8.421 2.317 392 1HB LYS 59 2HB LYS 59 -1.913 9.931 0.527 393 1HG LYS 59 2HG LYS 59 -4.870 10.047 1.042 394 1HD LYS 59 2HD LYS 59 -3.056 12.109 -0.202 395 1HE LYS 59 2HE LYS 59 -5.211 13.430 -0.324 396 1HZ LYS 59 1HZ LYS 59 -5.054 14.187 2.006 397 2HZ LYS 59 2HZ LYS 59 -3.551 14.100 1.225 398 3HZ LYS 59 3HZ LYS 59 -3.999 12.898 2.336 399 H LYS 60 H LYS 60 -5.008 8.368 2.701 400 HA LYS 60 HA LYS 60 -6.455 6.175 1.558 401 1HB LYS 60 2HB LYS 60 -7.429 8.445 3.309 402 1HG LYS 60 2HG LYS 60 -5.791 6.724 4.309 403 1HD LYS 60 2HD LYS 60 -6.675 4.681 3.483 404 1HE LYS 60 2HE LYS 60 -8.945 5.291 2.928 405 1HZ LYS 60 1HZ LYS 60 -9.112 6.005 5.742 406 2HZ LYS 60 2HZ LYS 60 -10.479 5.246 5.088 407 3HZ LYS 60 3HZ LYS 60 -9.900 6.681 4.391 408 H LEU 61 H LEU 61 -7.482 6.230 -0.349 409 HA LEU 61 HA LEU 61 -8.498 8.783 -1.344 410 1HB LEU 61 2HB LEU 61 -8.448 6.017 -2.559 411 HG LEU 61 HG LEU 61 -6.222 7.206 -2.618 412 1HD1 LEU 61 1HD1 LEU 61 -5.883 6.822 -5.002 413 2HD1 LEU 61 2HD1 LEU 61 -6.855 5.537 -4.285 414 3HD1 LEU 61 3HD1 LEU 61 -7.627 6.790 -5.257 415 1HD2 LEU 61 1HD2 LEU 61 -6.070 9.077 -4.276 416 2HD2 LEU 61 2HD2 LEU 61 -7.830 9.187 -4.233 417 3HD2 LEU 61 3HD2 LEU 61 -6.887 9.498 -2.774 418 H ASP 62 H ASP 62 -9.364 7.128 0.997 419 HA ASP 62 HA ASP 62 -12.238 6.992 0.411 420 1HB ASP 62 2HB ASP 62 -11.211 4.736 0.768 Start of MODEL 8 1 1H MET 1 1H MET 1 -16.049 -1.746 -11.231 2 2H MET 1 2H MET 1 -14.988 -2.977 -10.764 3 3H MET 1 3H MET 1 -14.959 -2.399 -12.356 4 HA MET 1 HA MET 1 -14.164 -0.278 -11.644 5 1HB MET 1 2HB MET 1 -15.299 -0.160 -9.496 6 1HG MET 1 2HG MET 1 -12.342 -0.163 -8.939 7 1HE MET 1 1HE MET 1 -15.666 2.262 -6.838 8 2HE MET 1 2HE MET 1 -15.174 2.531 -8.511 9 3HE MET 1 3HE MET 1 -15.994 1.036 -8.064 10 H ASP 2 H ASP 2 -13.049 -2.937 -9.573 11 HA ASP 2 HA ASP 2 -10.606 -3.174 -11.156 12 1HB ASP 2 2HB ASP 2 -9.223 -3.114 -9.069 13 H GLU 3 H GLU 3 -12.675 -4.313 -8.624 14 HA GLU 3 HA GLU 3 -12.944 -6.880 -9.484 15 1HB GLU 3 2HB GLU 3 -11.688 -8.176 -7.685 16 1HG GLU 3 2HG GLU 3 -9.324 -7.162 -7.350 17 H THR 4 H THR 4 -12.385 -5.613 -6.169 18 HA THR 4 HA THR 4 -15.308 -5.376 -5.954 19 HB THR 4 HB THR 4 -13.650 -6.396 -3.626 20 HG1 THR 4 1HG THR 4 -13.626 -8.210 -4.740 21 1HG2 THR 4 1HG2 THR 4 -15.772 -5.311 -3.048 22 2HG2 THR 4 2HG2 THR 4 -15.826 -7.042 -2.726 23 3HG2 THR 4 3HG2 THR 4 -16.625 -6.387 -4.154 24 H GLY 5 H GLY 5 -14.846 -3.086 -6.383 25 1HA GLY 5 1HA GLY 5 -13.002 -1.398 -5.405 26 2HA GLY 5 2HA GLY 5 -14.682 -0.905 -5.561 27 H LYS 6 H LYS 6 -12.236 -0.713 -3.546 28 HA LYS 6 HA LYS 6 -13.889 -0.980 -1.142 29 1HB LYS 6 2HB LYS 6 -12.307 -2.254 0.049 30 1HG LYS 6 2HG LYS 6 -10.217 -1.137 -0.676 31 1HD LYS 6 2HD LYS 6 -10.542 -1.230 -3.119 32 1HE LYS 6 2HE LYS 6 -10.231 -4.202 -2.704 33 1HZ LYS 6 1HZ LYS 6 -8.782 -3.478 -4.527 34 2HZ LYS 6 2HZ LYS 6 -10.106 -2.746 -5.298 35 3HZ LYS 6 3HZ LYS 6 -10.080 -4.427 -5.064 36 H GLU 7 H GLU 7 -11.617 -0.463 0.572 37 HA GLU 7 HA GLU 7 -11.776 2.270 0.883 38 1HB GLU 7 2HB GLU 7 -9.782 0.239 1.802 39 1HG GLU 7 2HG GLU 7 -11.656 0.367 3.259 40 H LEU 8 H LEU 8 -9.197 0.447 -0.754 41 HA LEU 8 HA LEU 8 -7.567 1.013 -2.210 42 1HB LEU 8 2HB LEU 8 -9.486 3.248 -2.851 43 HG LEU 8 HG LEU 8 -10.251 0.923 -3.430 44 1HD1 LEU 8 1HD1 LEU 8 -11.092 2.870 -4.618 45 2HD1 LEU 8 2HD1 LEU 8 -9.709 2.818 -5.712 46 3HD1 LEU 8 3HD1 LEU 8 -10.892 1.510 -5.723 47 1HD2 LEU 8 1HD2 LEU 8 -7.887 1.048 -5.302 48 2HD2 LEU 8 2HD2 LEU 8 -8.098 -0.072 -3.955 49 3HD2 LEU 8 3HD2 LEU 8 -9.169 -0.163 -5.352 50 H VAL 9 H VAL 9 -5.678 2.173 -2.383 51 HA VAL 9 HA VAL 9 -5.469 4.663 -0.845 52 HB VAL 9 HB VAL 9 -3.096 3.916 -0.200 53 1HG1 VAL 9 1HG1 VAL 9 -4.861 4.249 1.436 54 2HG1 VAL 9 2HG1 VAL 9 -5.481 2.627 1.121 55 3HG1 VAL 9 3HG1 VAL 9 -3.890 2.835 1.852 56 1HG2 VAL 9 1HG2 VAL 9 -4.342 1.221 -0.725 57 2HG2 VAL 9 2HG2 VAL 9 -2.974 1.929 -1.584 58 3HG2 VAL 9 3HG2 VAL 9 -2.818 1.495 0.120 59 H LEU 10 H LEU 10 -3.846 6.057 -1.491 60 HA LEU 10 HA LEU 10 -2.887 5.591 -4.229 61 1HB LEU 10 2HB LEU 10 -4.175 7.467 -4.416 62 HG LEU 10 HG LEU 10 -1.521 8.541 -3.563 63 1HD1 LEU 10 1HD1 LEU 10 -1.609 7.397 -5.688 64 2HD1 LEU 10 2HD1 LEU 10 -2.963 8.405 -6.198 65 3HD1 LEU 10 3HD1 LEU 10 -1.377 9.129 -5.937 66 1HD2 LEU 10 1HD2 LEU 10 -2.260 10.748 -4.347 67 2HD2 LEU 10 2HD2 LEU 10 -3.908 10.132 -4.480 68 3HD2 LEU 10 3HD2 LEU 10 -3.122 10.220 -2.902 69 H ALA 11 H ALA 11 -0.762 5.299 -4.477 70 HA ALA 11 HA ALA 11 1.049 5.515 -2.287 71 1HB ALA 11 1HB ALA 11 1.284 3.837 -4.085 72 2HB ALA 11 2HB ALA 11 1.660 5.137 -5.216 73 3HB ALA 11 3HB ALA 11 2.743 4.808 -3.865 74 H LEU 12 H LEU 12 1.949 7.346 -1.568 75 HA LEU 12 HA LEU 12 1.799 9.765 -3.167 76 1HB LEU 12 2HB LEU 12 2.977 9.356 -0.415 77 HG LEU 12 HG LEU 12 0.552 8.835 -0.406 78 1HD1 LEU 12 1HD1 LEU 12 1.566 9.837 1.551 79 2HD1 LEU 12 2HD1 LEU 12 1.304 11.450 0.888 80 3HD1 LEU 12 3HD1 LEU 12 -0.076 10.445 1.332 81 1HD2 LEU 12 1HD2 LEU 12 0.250 11.649 -1.453 82 2HD2 LEU 12 2HD2 LEU 12 -0.116 10.167 -2.338 83 3HD2 LEU 12 3HD2 LEU 12 -1.064 10.600 -0.916 84 H TYR 13 H TYR 13 4.243 7.609 -1.897 85 HA TYR 13 HA TYR 13 6.296 9.141 -3.343 86 1HB TYR 13 2HB TYR 13 6.879 7.586 -0.829 87 HD1 TYR 13 1HD TYR 13 6.204 8.216 1.256 88 HD2 TYR 13 2HD TYR 13 6.067 11.111 -1.846 89 HE1 TYR 13 1HE TYR 13 5.235 9.838 2.823 90 HE2 TYR 13 2HE TYR 13 5.093 12.742 -0.291 91 HH TYR 13 HH TYR 13 4.981 12.200 3.101 92 H ASP 14 H ASP 14 8.047 7.830 -4.191 93 HA ASP 14 HA ASP 14 7.201 5.215 -4.994 94 1HB ASP 14 2HB ASP 14 9.389 5.126 -6.160 95 H TYR 15 H TYR 15 7.746 3.312 -4.144 96 HA TYR 15 HA TYR 15 9.620 3.346 -1.877 97 1HB TYR 15 2HB TYR 15 7.230 3.425 -1.127 98 HD1 TYR 15 1HD TYR 15 9.294 3.425 0.558 99 HD2 TYR 15 2HD TYR 15 7.138 -0.037 -0.641 100 HE1 TYR 15 1HE TYR 15 10.029 2.271 2.591 101 HE2 TYR 15 2HE TYR 15 7.879 -1.200 1.387 102 HH TYR 15 HH TYR 15 9.711 -1.095 3.015 103 H GLN 16 H GLN 16 11.186 1.945 -2.162 104 HA GLN 16 HA GLN 16 10.655 -0.491 -3.712 105 1HB GLN 16 2HB GLN 16 12.557 0.815 -4.500 106 1HG GLN 16 2HG GLN 16 14.312 -0.783 -4.507 107 1HE2 GLN 16 1HE2 GLN 16 11.944 -2.934 -3.165 108 2HE2 GLN 16 2HE2 GLN 16 11.320 -3.524 -4.675 109 H GLU 17 H GLU 17 10.026 -2.130 -2.520 110 HA GLU 17 HA GLU 17 10.232 -2.438 0.220 111 1HB GLU 17 2HB GLU 17 9.651 -4.767 -0.123 112 1HG GLU 17 2HG GLU 17 10.488 -4.338 -2.975 113 H LYS 18 H LYS 18 11.800 -3.063 1.601 114 HA LYS 18 HA LYS 18 14.337 -3.959 0.446 115 1HB LYS 18 2HB LYS 18 15.310 -3.471 2.633 116 1HG LYS 18 2HG LYS 18 12.593 -2.496 3.439 117 1HD LYS 18 2HD LYS 18 15.193 -2.725 4.948 118 1HE LYS 18 2HE LYS 18 12.514 -1.657 5.822 119 1HZ LYS 18 1HZ LYS 18 15.106 -1.904 7.243 120 2HZ LYS 18 2HZ LYS 18 13.630 -1.569 8.004 121 3HZ LYS 18 3HZ LYS 18 14.276 -0.469 6.882 122 H SER 19 H SER 19 11.585 -5.296 1.567 123 HA SER 19 HA SER 19 12.899 -7.861 1.894 124 1HB SER 19 2HB SER 19 11.726 -8.423 3.949 125 HG SER 19 HG SER 19 10.767 -5.761 4.120 126 HA PRO 20 HA PRO 20 9.541 -9.061 -0.712 127 1HB PRO 20 2HB PRO 20 9.190 -11.663 0.108 128 1HG PRO 20 2HG PRO 20 10.630 -11.694 1.909 129 1HD PRO 20 2HD PRO 20 12.126 -9.984 2.310 130 H ALA 21 H ALA 21 9.222 -8.958 2.669 131 HA ALA 21 HA ALA 21 6.415 -9.663 2.726 132 1HB ALA 21 1HB ALA 21 7.823 -10.109 4.686 133 2HB ALA 21 2HB ALA 21 8.130 -8.381 4.855 134 3HB ALA 21 3HB ALA 21 6.498 -9.012 5.075 135 H GLU 22 H GLU 22 8.284 -7.013 1.888 136 HA GLU 22 HA GLU 22 6.190 -5.047 2.421 137 1HB GLU 22 2HB GLU 22 9.031 -4.852 1.427 138 1HG GLU 22 2HG GLU 22 7.857 -3.319 3.693 139 H VAL 23 H VAL 23 6.328 -3.360 0.334 140 HA VAL 23 HA VAL 23 5.999 -4.973 -2.079 141 HB VAL 23 HB VAL 23 3.945 -3.077 -0.947 142 1HG1 VAL 23 1HG1 VAL 23 2.770 -3.040 -3.012 143 2HG1 VAL 23 2HG1 VAL 23 4.404 -2.439 -3.280 144 3HG1 VAL 23 3HG1 VAL 23 3.969 -4.075 -3.780 145 1HG2 VAL 23 1HG2 VAL 23 2.402 -4.863 -1.285 146 2HG2 VAL 23 2HG2 VAL 23 3.612 -5.820 -2.135 147 3HG2 VAL 23 3HG2 VAL 23 3.795 -5.494 -0.411 148 H THR 24 H THR 24 6.810 -4.122 -3.870 149 HA THR 24 HA THR 24 8.026 -1.503 -3.855 150 HB THR 24 HB THR 24 7.719 -3.451 -6.155 151 HG1 THR 24 1HG THR 24 8.885 -4.289 -4.283 152 1HG2 THR 24 1HG2 THR 24 8.272 -1.165 -6.849 153 2HG2 THR 24 2HG2 THR 24 9.630 -2.258 -7.116 154 3HG2 THR 24 3HG2 THR 24 9.641 -1.158 -5.738 155 H MET 25 H MET 25 6.987 0.310 -4.414 156 HA MET 25 HA MET 25 4.808 0.177 -6.363 157 1HB MET 25 2HB MET 25 3.285 1.436 -4.995 158 1HG MET 25 2HG MET 25 5.414 1.451 -2.871 159 1HE MET 25 1HE MET 25 4.361 4.184 -1.592 160 2HE MET 25 2HE MET 25 3.434 3.569 -0.225 161 3HE MET 25 3HE MET 25 4.988 2.845 -0.634 162 H LYS 26 H LYS 26 4.538 2.039 -7.568 163 HA LYS 26 HA LYS 26 6.481 4.187 -7.056 164 1HB LYS 26 2HB LYS 26 5.122 3.328 -9.620 165 1HG LYS 26 2HG LYS 26 7.107 1.993 -8.992 166 1HD LYS 26 2HD LYS 26 8.477 4.671 -9.151 167 1HE LYS 26 2HE LYS 26 9.726 3.007 -10.448 168 1HZ LYS 26 1HZ LYS 26 9.784 1.448 -7.918 169 2HZ LYS 26 2HZ LYS 26 10.694 1.102 -9.308 170 3HZ LYS 26 3HZ LYS 26 9.005 0.983 -9.355 171 H LYS 27 H LYS 27 5.777 6.285 -6.874 172 HA LYS 27 HA LYS 27 3.240 6.640 -5.781 173 1HB LYS 27 2HB LYS 27 3.820 8.827 -5.384 174 1HG LYS 27 2HG LYS 27 4.047 9.330 -7.922 175 1HD LYS 27 2HD LYS 27 6.143 8.063 -8.229 176 1HE LYS 27 2HE LYS 27 7.270 10.183 -6.409 177 1HZ LYS 27 1HZ LYS 27 9.373 8.909 -6.782 178 2HZ LYS 27 2HZ LYS 27 8.858 9.844 -8.098 179 3HZ LYS 27 3HZ LYS 27 8.619 8.167 -8.110 180 H GLY 28 H GLY 28 1.422 7.745 -6.460 181 1HA GLY 28 1HA GLY 28 0.045 8.762 -8.107 182 2HA GLY 28 2HA GLY 28 1.158 8.199 -9.346 183 H ASP 29 H ASP 29 1.222 5.502 -7.993 184 HA ASP 29 HA ASP 29 -0.934 4.390 -9.524 185 1HB ASP 29 2HB ASP 29 1.259 3.209 -7.847 186 H ILE 30 H ILE 30 -2.689 3.251 -8.833 187 HA ILE 30 HA ILE 30 -3.632 3.865 -6.133 188 HB ILE 30 HB ILE 30 -5.170 2.629 -8.422 189 1HG1 ILE 30 2HG1 ILE 30 -4.391 4.798 -9.150 190 1HG2 ILE 30 1HG2 ILE 30 -6.152 2.261 -6.223 191 2HG2 ILE 30 2HG2 ILE 30 -6.112 3.994 -5.905 192 3HG2 ILE 30 3HG2 ILE 30 -7.145 3.357 -7.185 193 1HD1 ILE 30 1HD1 ILE 30 -3.855 5.812 -6.991 194 2HD1 ILE 30 2HD1 ILE 30 -4.870 6.857 -7.986 195 3HD1 ILE 30 3HD1 ILE 30 -5.578 5.958 -6.645 196 H LEU 31 H LEU 31 -3.657 2.312 -4.587 197 HA LEU 31 HA LEU 31 -3.211 -0.453 -5.503 198 1HB LEU 31 2HB LEU 31 -2.568 0.238 -2.703 199 HG LEU 31 HG LEU 31 -1.367 2.105 -3.626 200 1HD1 LEU 31 1HD1 LEU 31 -0.258 0.743 -1.941 201 2HD1 LEU 31 2HD1 LEU 31 0.440 -0.263 -3.214 202 3HD1 LEU 31 3HD1 LEU 31 0.910 1.434 -3.072 203 1HD2 LEU 31 1HD2 LEU 31 0.286 1.857 -5.402 204 2HD2 LEU 31 2HD2 LEU 31 -0.171 0.165 -5.602 205 3HD2 LEU 31 3HD2 LEU 31 -1.327 1.440 -5.986 206 H THR 32 H THR 32 -4.119 -2.150 -4.207 207 HA THR 32 HA THR 32 -6.717 -1.480 -3.097 208 HB THR 32 HB THR 32 -5.328 -4.108 -3.645 209 HG1 THR 32 1HG THR 32 -6.409 -3.927 -5.445 210 1HG2 THR 32 1HG2 THR 32 -8.025 -3.675 -2.365 211 2HG2 THR 32 2HG2 THR 32 -6.611 -4.400 -1.599 212 3HG2 THR 32 3HG2 THR 32 -7.408 -5.223 -2.942 213 H LEU 33 H LEU 33 -7.123 -1.254 -0.960 214 HA LEU 33 HA LEU 33 -4.955 -1.609 0.904 215 1HB LEU 33 2HB LEU 33 -7.201 0.076 0.784 216 HG LEU 33 HG LEU 33 -5.242 1.010 1.651 217 1HD1 LEU 33 1HD1 LEU 33 -7.165 0.593 3.928 218 2HD1 LEU 33 2HD1 LEU 33 -5.858 1.778 3.914 219 3HD1 LEU 33 3HD1 LEU 33 -7.175 1.904 2.746 220 1HD2 LEU 33 1HD2 LEU 33 -4.125 -1.022 2.359 221 2HD2 LEU 33 2HD2 LEU 33 -4.089 0.177 3.651 222 3HD2 LEU 33 3HD2 LEU 33 -5.223 -1.174 3.732 223 H LEU 34 H LEU 34 -4.709 -3.195 2.299 224 HA LEU 34 HA LEU 34 -6.807 -5.254 2.490 225 1HB LEU 34 2HB LEU 34 -3.804 -5.486 2.686 226 HG LEU 34 HG LEU 34 -4.551 -5.272 0.351 227 1HD1 LEU 34 1HD1 LEU 34 -3.713 -8.074 1.057 228 2HD1 LEU 34 2HD1 LEU 34 -3.498 -7.270 -0.498 229 3HD1 LEU 34 3HD1 LEU 34 -2.632 -6.685 0.923 230 1HD2 LEU 34 1HD2 LEU 34 -6.828 -6.102 0.574 231 2HD2 LEU 34 2HD2 LEU 34 -5.951 -7.011 -0.654 232 3HD2 LEU 34 3HD2 LEU 34 -6.218 -7.715 0.940 233 H ASN 35 H ASN 35 -4.541 -3.246 4.211 234 HA ASN 35 HA ASN 35 -5.950 -3.715 6.695 235 1HB ASN 35 2HB ASN 35 -4.475 -5.354 7.272 236 1HD2 ASN 35 1HD2 ASN 35 -1.881 -3.046 6.858 237 2HD2 ASN 35 2HD2 ASN 35 -1.632 -2.757 8.544 238 H SER 36 H SER 36 -6.081 -1.881 7.831 239 HA SER 36 HA SER 36 -3.988 0.141 7.504 240 1HB SER 36 2HB SER 36 -5.898 1.864 7.511 241 HG SER 36 HG SER 36 -7.789 0.958 7.712 242 H THR 37 H THR 37 -5.141 -1.835 9.621 243 HA THR 37 HA THR 37 -5.972 0.036 11.689 244 HB THR 37 HB THR 37 -7.223 -2.086 11.382 245 HG1 THR 37 1HG THR 37 -5.905 -1.560 13.848 246 1HG2 THR 37 1HG2 THR 37 -5.349 -3.560 10.800 247 2HG2 THR 37 2HG2 THR 37 -6.236 -4.188 12.192 248 3HG2 THR 37 3HG2 THR 37 -4.690 -3.372 12.423 249 H ASN 38 H ASN 38 -3.105 -0.880 10.532 250 HA ASN 38 HA ASN 38 -1.789 -0.862 13.162 251 1HB ASN 38 2HB ASN 38 -1.240 -2.801 11.716 252 1HD2 ASN 38 1HD2 ASN 38 1.279 -2.906 10.597 253 2HD2 ASN 38 2HD2 ASN 38 2.446 -2.522 11.820 254 H LYS 39 H LYS 39 -0.609 0.901 13.720 255 HA LYS 39 HA LYS 39 -0.945 3.251 12.153 256 1HB LYS 39 2HB LYS 39 0.012 4.441 13.942 257 1HG LYS 39 2HG LYS 39 1.365 1.935 14.922 258 1HD LYS 39 2HD LYS 39 1.300 4.772 15.898 259 1HE LYS 39 2HE LYS 39 3.621 4.156 15.854 260 1HZ LYS 39 1HZ LYS 39 3.521 1.790 15.676 261 2HZ LYS 39 2HZ LYS 39 2.773 1.646 17.193 262 3HZ LYS 39 3HZ LYS 39 4.381 2.176 17.089 263 H ASP 40 H ASP 40 1.407 0.818 12.026 264 HA ASP 40 HA ASP 40 3.428 2.688 10.984 265 1HB ASP 40 2HB ASP 40 3.777 -0.097 12.111 266 H TRP 41 H TRP 41 2.399 -0.678 10.473 267 HA TRP 41 HA TRP 41 3.195 -0.365 7.665 268 1HB TRP 41 2HB TRP 41 3.132 -2.782 9.463 269 HD1 TRP 41 HD TRP 41 5.194 -2.116 10.905 270 HE1 TRP 41 1HE TRP 41 7.683 -1.739 10.377 271 HE3 TRP 41 3HE TRP 41 4.930 -1.950 5.803 272 HZ2 TRP 41 2HZ TRP 41 9.318 -1.410 8.102 273 HZ3 TRP 41 3HZ TRP 41 7.005 -1.602 4.528 274 HH2 TRP 41 HH TRP 41 9.156 -1.337 5.657 275 H TRP 42 H TRP 42 1.682 -0.400 6.194 276 HA TRP 42 HA TRP 42 -0.929 -1.594 6.833 277 1HB TRP 42 2HB TRP 42 -0.078 0.494 4.838 278 HD1 TRP 42 HD TRP 42 -0.964 0.194 8.266 279 HE1 TRP 42 1HE TRP 42 -2.267 2.236 9.129 280 HE3 TRP 42 3HE TRP 42 -2.328 2.142 3.810 281 HZ2 TRP 42 2HZ TRP 42 -3.697 4.413 8.029 282 HZ3 TRP 42 3HZ TRP 42 -3.665 4.224 3.763 283 HH2 TRP 42 HH TRP 42 -4.334 5.332 5.840 284 H LYS 43 H LYS 43 -1.980 -2.790 5.068 285 HA LYS 43 HA LYS 43 0.029 -4.302 3.529 286 1HB LYS 43 2HB LYS 43 -1.431 -5.474 5.396 287 1HG LYS 43 2HG LYS 43 -1.262 -6.706 2.652 288 1HD LYS 43 2HD LYS 43 -1.285 -7.991 5.388 289 1HE LYS 43 2HE LYS 43 -1.688 -10.064 4.060 290 1HZ LYS 43 1HZ LYS 43 0.525 -9.667 4.871 291 2HZ LYS 43 2HZ LYS 43 0.889 -8.692 3.535 292 3HZ LYS 43 3HZ LYS 43 0.603 -10.347 3.321 293 H VAL 44 H VAL 44 -0.166 -4.204 1.387 294 HA VAL 44 HA VAL 44 -2.723 -3.302 0.260 295 HB VAL 44 HB VAL 44 -1.474 -1.807 -1.307 296 1HG1 VAL 44 1HG1 VAL 44 -2.640 -0.867 0.604 297 2HG1 VAL 44 2HG1 VAL 44 -1.235 -1.156 1.630 298 3HG1 VAL 44 3HG1 VAL 44 -1.139 0.014 0.314 299 1HG2 VAL 44 1HG2 VAL 44 0.731 -2.833 -1.082 300 2HG2 VAL 44 2HG2 VAL 44 0.795 -1.110 -0.708 301 3HG2 VAL 44 3HG2 VAL 44 0.818 -2.297 0.596 302 H GLU 45 H GLU 45 -2.985 -3.764 -1.980 303 HA GLU 45 HA GLU 45 -1.194 -5.881 -2.966 304 1HB GLU 45 2HB GLU 45 -3.519 -6.627 -2.636 305 1HG GLU 45 2HG GLU 45 -2.612 -6.416 -5.497 306 H VAL 46 H VAL 46 0.007 -5.405 -4.639 307 HA VAL 46 HA VAL 46 -0.817 -3.327 -6.539 308 HB VAL 46 HB VAL 46 2.051 -3.373 -5.770 309 1HG1 VAL 46 1HG1 VAL 46 0.122 -1.311 -6.748 310 2HG1 VAL 46 2HG1 VAL 46 1.684 -0.856 -6.065 311 3HG1 VAL 46 3HG1 VAL 46 1.615 -1.884 -7.496 312 1HG2 VAL 46 1HG2 VAL 46 1.050 -3.337 -3.584 313 2HG2 VAL 46 2HG2 VAL 46 1.722 -1.751 -3.956 314 3HG2 VAL 46 3HG2 VAL 46 -0.016 -2.021 -4.060 315 H ASN 47 H ASN 47 -0.185 -3.798 -8.618 316 HA ASN 47 HA ASN 47 0.300 -5.064 -10.378 317 1HB ASN 47 2HB ASN 47 2.564 -6.032 -10.581 318 1HD2 ASN 47 1HD2 ASN 47 3.545 -3.906 -8.085 319 2HD2 ASN 47 2HD2 ASN 47 4.335 -5.095 -7.102 320 H ASP 48 H ASP 48 1.749 -7.382 -8.083 321 HA ASP 48 HA ASP 48 -0.616 -9.019 -8.191 322 1HB ASP 48 2HB ASP 48 0.668 -9.569 -10.299 323 H ARG 49 H ARG 49 1.543 -7.652 -6.408 324 HA ARG 49 HA ARG 49 1.962 -9.974 -4.648 325 1HB ARG 49 2HB ARG 49 4.100 -9.292 -5.593 326 1HG ARG 49 2HG ARG 49 4.165 -8.115 -2.847 327 1HD ARG 49 2HD ARG 49 6.231 -9.454 -2.683 328 HE ARG 49 HE ARG 49 6.694 -7.240 -3.495 329 1HH1 ARG 49 2HH1 ARG 49 6.403 -9.693 -5.978 330 2HH1 ARG 49 1HH1 ARG 49 7.316 -8.794 -7.149 331 1HH2 ARG 49 2HH2 ARG 49 7.936 -6.086 -5.001 332 2HH2 ARG 49 1HH2 ARG 49 8.185 -6.732 -6.605 333 H GLN 50 H GLN 50 0.833 -9.819 -2.866 334 HA GLN 50 HA GLN 50 0.114 -7.175 -1.827 335 1HB GLN 50 2HB GLN 50 -0.648 -9.847 -0.633 336 1HG GLN 50 2HG GLN 50 -2.253 -8.362 -2.709 337 1HE2 GLN 50 1HE2 GLN 50 -4.266 -9.258 -3.160 338 2HE2 GLN 50 2HE2 GLN 50 -5.061 -10.315 -2.036 339 H GLY 51 H GLY 51 1.031 -6.311 -0.073 340 1HA GLY 51 1HA GLY 51 2.467 -7.861 1.864 341 2HA GLY 51 2HA GLY 51 3.541 -7.001 0.767 342 H PHE 52 H PHE 52 4.253 -5.906 2.732 343 HA PHE 52 HA PHE 52 2.306 -3.982 3.772 344 1HB PHE 52 2HB PHE 52 4.809 -5.169 4.883 345 HD1 PHE 52 1HD PHE 52 2.033 -3.515 6.655 346 HD2 PHE 52 2HD PHE 52 3.720 -7.203 5.378 347 HE1 PHE 52 1HE PHE 52 0.475 -4.738 8.116 348 HE2 PHE 52 2HE PHE 52 2.165 -8.427 6.827 349 HZ PHE 52 HZ PHE 52 0.534 -7.093 8.276 350 H VAL 53 H VAL 53 2.644 -1.879 3.886 351 HA VAL 53 HA VAL 53 5.131 -0.707 2.851 352 HB VAL 53 HB VAL 53 3.836 1.074 1.707 353 1HG1 VAL 53 1HG1 VAL 53 3.148 -0.237 -0.256 354 2HG1 VAL 53 2HG1 VAL 53 4.711 -0.755 0.378 355 3HG1 VAL 53 3HG1 VAL 53 3.266 -1.713 0.703 356 1HG2 VAL 53 1HG2 VAL 53 1.752 0.919 2.937 357 2HG2 VAL 53 2HG2 VAL 53 1.451 0.720 1.211 358 3HG2 VAL 53 3HG2 VAL 53 1.453 -0.688 2.274 359 HA PRO 54 HA PRO 54 4.573 1.894 6.420 360 1HB PRO 54 2HB PRO 54 5.521 4.286 5.177 361 1HG PRO 54 2HG PRO 54 7.019 3.538 3.634 362 1HD PRO 54 2HD PRO 54 5.400 2.310 2.582 363 H ALA 55 H ALA 55 2.822 2.845 7.207 364 HA ALA 55 HA ALA 55 0.618 3.560 5.661 365 1HB ALA 55 1HB ALA 55 0.519 2.961 8.042 366 2HB ALA 55 2HB ALA 55 1.278 4.499 8.453 367 3HB ALA 55 3HB ALA 55 -0.320 4.475 7.707 368 H ALA 56 H ALA 56 3.302 5.494 6.802 369 HA ALA 56 HA ALA 56 2.120 8.029 6.250 370 1HB ALA 56 1HB ALA 56 5.006 7.274 6.654 371 2HB ALA 56 2HB ALA 56 4.356 8.915 6.679 372 3HB ALA 56 3HB ALA 56 3.871 7.754 7.915 373 H TYR 57 H TYR 57 3.135 5.672 4.146 374 HA TYR 57 HA TYR 57 4.237 7.584 2.205 375 1HB TYR 57 2HB TYR 57 4.535 4.619 2.505 376 HD1 TYR 57 1HD TYR 57 7.044 5.038 0.573 377 HD2 TYR 57 2HD TYR 57 5.711 6.817 4.199 378 HE1 TYR 57 1HE TYR 57 9.363 5.631 1.132 379 HE2 TYR 57 2HE TYR 57 8.028 7.408 4.767 380 HH TYR 57 HH TYR 57 10.588 7.191 2.498 381 H VAL 58 H VAL 58 1.413 5.912 2.913 382 HA VAL 58 HA VAL 58 0.451 6.340 0.170 383 HB VAL 58 HB VAL 58 -1.165 4.506 0.543 384 1HG1 VAL 58 1HG1 VAL 58 0.919 4.030 -0.603 385 2HG1 VAL 58 2HG1 VAL 58 1.742 3.794 0.944 386 3HG1 VAL 58 3HG1 VAL 58 0.490 2.662 0.425 387 1HG2 VAL 58 1HG2 VAL 58 -0.845 2.984 2.440 388 2HG2 VAL 58 2HG2 VAL 58 0.388 4.063 3.096 389 3HG2 VAL 58 3HG2 VAL 58 -1.288 4.604 2.982 390 H LYS 59 H LYS 59 -1.774 6.969 -0.044 391 HA LYS 59 HA LYS 59 -2.801 8.368 2.344 392 1HB LYS 59 2HB LYS 59 -1.927 9.952 0.689 393 1HG LYS 59 2HG LYS 59 -4.938 9.936 0.697 394 1HD LYS 59 2HD LYS 59 -3.090 12.274 0.244 395 1HE LYS 59 2HE LYS 59 -6.062 11.920 -0.150 396 1HZ LYS 59 1HZ LYS 59 -6.042 14.269 -0.709 397 2HZ LYS 59 2HZ LYS 59 -5.091 13.394 -1.809 398 3HZ LYS 59 3HZ LYS 59 -4.349 14.310 -0.592 399 H LYS 60 H LYS 60 -5.082 8.415 2.612 400 HA LYS 60 HA LYS 60 -6.449 6.132 1.535 401 1HB LYS 60 2HB LYS 60 -7.499 8.465 3.156 402 1HG LYS 60 2HG LYS 60 -5.892 6.891 4.315 403 1HD LYS 60 2HD LYS 60 -6.648 4.765 3.394 404 1HE LYS 60 2HE LYS 60 -8.829 3.863 4.503 405 1HZ LYS 60 1HZ LYS 60 -10.115 4.431 2.616 406 2HZ LYS 60 2HZ LYS 60 -8.520 4.212 2.078 407 3HZ LYS 60 3HZ LYS 60 -9.142 5.773 2.263 408 H LEU 61 H LEU 61 -7.462 6.038 -0.358 409 HA LEU 61 HA LEU 61 -8.351 8.510 -1.625 410 1HB LEU 61 2HB LEU 61 -8.289 5.640 -2.545 411 HG LEU 61 HG LEU 61 -6.098 6.961 -2.651 412 1HD1 LEU 61 1HD1 LEU 61 -7.314 5.993 -5.239 413 2HD1 LEU 61 2HD1 LEU 61 -5.595 6.138 -4.879 414 3HD1 LEU 61 3HD1 LEU 61 -6.583 4.967 -4.006 415 1HD2 LEU 61 1HD2 LEU 61 -6.928 9.133 -3.260 416 2HD2 LEU 61 2HD2 LEU 61 -5.955 8.517 -4.592 417 3HD2 LEU 61 3HD2 LEU 61 -7.716 8.482 -4.698 418 H ASP 62 H ASP 62 -9.569 7.928 0.756 419 HA ASP 62 HA ASP 62 -12.339 7.594 -0.041 420 1HB ASP 62 2HB ASP 62 -11.570 5.313 0.622 Start of MODEL 9 1 1H MET 1 1H MET 1 -16.165 -6.503 -1.814 2 2H MET 1 2H MET 1 -14.656 -6.894 -2.486 3 3H MET 1 3H MET 1 -15.468 -8.019 -1.517 4 HA MET 1 HA MET 1 -17.225 -8.229 -3.100 5 1HB MET 1 2HB MET 1 -17.030 -7.176 -5.320 6 1HG MET 1 2HG MET 1 -14.841 -5.506 -4.109 7 1HE MET 1 1HE MET 1 -17.228 -6.297 -7.155 8 2HE MET 1 2HE MET 1 -16.617 -5.164 -8.360 9 3HE MET 1 3HE MET 1 -15.609 -6.507 -7.822 10 H ASP 2 H ASP 2 -13.716 -8.100 -3.591 11 HA ASP 2 HA ASP 2 -13.733 -10.872 -4.397 12 1HB ASP 2 2HB ASP 2 -14.292 -9.570 -6.538 13 H GLU 3 H GLU 3 -12.558 -8.781 -2.545 14 HA GLU 3 HA GLU 3 -9.778 -9.649 -2.762 15 1HB GLU 3 2HB GLU 3 -8.916 -7.401 -2.417 16 1HG GLU 3 2HG GLU 3 -10.869 -6.413 -1.196 17 H THR 4 H THR 4 -8.589 -8.628 -0.670 18 HA THR 4 HA THR 4 -10.191 -9.602 1.588 19 HB THR 4 HB THR 4 -7.326 -8.829 1.967 20 HG1 THR 4 1HG THR 4 -8.217 -10.630 0.065 21 1HG2 THR 4 1HG2 THR 4 -7.335 -10.855 3.344 22 2HG2 THR 4 2HG2 THR 4 -8.986 -11.201 2.832 23 3HG2 THR 4 3HG2 THR 4 -8.647 -9.768 3.803 24 H GLY 5 H GLY 5 -10.994 -7.165 0.631 25 1HA GLY 5 1HA GLY 5 -11.593 -5.206 1.956 26 2HA GLY 5 2HA GLY 5 -9.962 -5.238 2.621 27 H LYS 6 H LYS 6 -11.494 -3.157 1.046 28 HA LYS 6 HA LYS 6 -9.613 -2.963 -1.199 29 1HB LYS 6 2HB LYS 6 -11.830 -3.432 -2.053 30 1HG LYS 6 2HG LYS 6 -12.122 -1.706 -3.608 31 1HD LYS 6 2HD LYS 6 -9.851 -1.121 -4.350 32 1HE LYS 6 2HE LYS 6 -9.046 -3.397 -4.682 33 1HZ LYS 6 1HZ LYS 6 -10.735 -4.046 -5.984 34 2HZ LYS 6 2HZ LYS 6 -11.365 -2.511 -5.619 35 3HZ LYS 6 3HZ LYS 6 -11.905 -3.884 -4.771 36 H GLU 7 H GLU 7 -11.862 -0.507 -0.278 37 HA GLU 7 HA GLU 7 -11.662 1.562 0.623 38 1HB GLU 7 2HB GLU 7 -9.264 0.257 1.810 39 1HG GLU 7 2HG GLU 7 -11.538 1.838 2.955 40 H LEU 8 H LEU 8 -8.809 0.449 -1.123 41 HA LEU 8 HA LEU 8 -7.504 1.362 -2.711 42 1HB LEU 8 2HB LEU 8 -9.680 3.446 -2.834 43 HG LEU 8 HG LEU 8 -10.320 1.184 -3.672 44 1HD1 LEU 8 1HD1 LEU 8 -11.369 3.204 -4.544 45 2HD1 LEU 8 2HD1 LEU 8 -10.090 3.360 -5.747 46 3HD1 LEU 8 3HD1 LEU 8 -11.197 1.986 -5.809 47 1HD2 LEU 8 1HD2 LEU 8 -8.085 1.715 -5.628 48 2HD2 LEU 8 2HD2 LEU 8 -8.178 0.396 -4.460 49 3HD2 LEU 8 3HD2 LEU 8 -9.306 0.457 -5.816 50 H VAL 9 H VAL 9 -5.605 2.230 -2.352 51 HA VAL 9 HA VAL 9 -5.496 4.803 -0.942 52 HB VAL 9 HB VAL 9 -3.174 4.053 -0.128 53 1HG1 VAL 9 1HG1 VAL 9 -5.016 4.463 1.384 54 2HG1 VAL 9 2HG1 VAL 9 -5.671 2.857 1.060 55 3HG1 VAL 9 3HG1 VAL 9 -4.129 3.028 1.896 56 1HG2 VAL 9 1HG2 VAL 9 -4.418 1.353 -0.639 57 2HG2 VAL 9 2HG2 VAL 9 -2.990 2.012 -1.434 58 3HG2 VAL 9 3HG2 VAL 9 -2.948 1.641 0.290 59 H LEU 10 H LEU 10 -3.872 6.199 -1.562 60 HA LEU 10 HA LEU 10 -2.893 5.677 -4.278 61 1HB LEU 10 2HB LEU 10 -4.186 7.554 -4.466 62 HG LEU 10 HG LEU 10 -1.494 8.621 -3.737 63 1HD1 LEU 10 1HD1 LEU 10 -1.678 7.366 -5.805 64 2HD1 LEU 10 2HD1 LEU 10 -3.003 8.404 -6.328 65 3HD1 LEU 10 3HD1 LEU 10 -1.384 9.072 -6.133 66 1HD2 LEU 10 1HD2 LEU 10 -3.060 10.354 -3.124 67 2HD2 LEU 10 2HD2 LEU 10 -2.234 10.799 -4.615 68 3HD2 LEU 10 3HD2 LEU 10 -3.888 10.191 -4.670 69 H ALA 11 H ALA 11 -0.780 5.350 -4.533 70 HA ALA 11 HA ALA 11 1.056 5.620 -2.366 71 1HB ALA 11 1HB ALA 11 2.746 4.891 -3.980 72 2HB ALA 11 2HB ALA 11 1.310 3.868 -4.059 73 3HB ALA 11 3HB ALA 11 1.586 5.096 -5.293 74 H LEU 12 H LEU 12 1.878 7.480 -1.695 75 HA LEU 12 HA LEU 12 1.816 9.838 -3.392 76 1HB LEU 12 2HB LEU 12 2.971 9.566 -0.614 77 HG LEU 12 HG LEU 12 0.567 8.897 -0.581 78 1HD1 LEU 12 1HD1 LEU 12 -0.076 10.459 1.184 79 2HD1 LEU 12 2HD1 LEU 12 1.604 9.948 1.347 80 3HD1 LEU 12 3HD1 LEU 12 1.226 11.544 0.699 81 1HD2 LEU 12 1HD2 LEU 12 0.124 11.702 -1.601 82 2HD2 LEU 12 2HD2 LEU 12 -0.190 10.215 -2.496 83 3HD2 LEU 12 3HD2 LEU 12 -1.129 10.590 -1.050 84 H TYR 13 H TYR 13 4.134 7.607 -2.087 85 HA TYR 13 HA TYR 13 6.280 9.053 -3.474 86 1HB TYR 13 2HB TYR 13 6.770 7.466 -0.961 87 HD1 TYR 13 1HD TYR 13 6.292 8.200 1.222 88 HD2 TYR 13 2HD TYR 13 6.001 10.946 -2.006 89 HE1 TYR 13 1HE TYR 13 5.327 9.871 2.740 90 HE2 TYR 13 2HE TYR 13 5.052 12.630 -0.501 91 HH TYR 13 HH TYR 13 5.087 12.300 2.891 92 H ASP 14 H ASP 14 7.869 7.692 -4.453 93 HA ASP 14 HA ASP 14 6.983 5.044 -5.089 94 1HB ASP 14 2HB ASP 14 8.982 4.875 -6.433 95 H TYR 15 H TYR 15 7.747 3.101 -4.301 96 HA TYR 15 HA TYR 15 9.457 3.336 -1.917 97 1HB TYR 15 2HB TYR 15 7.054 3.257 -1.287 98 HD1 TYR 15 1HD TYR 15 9.052 3.349 0.492 99 HD2 TYR 15 2HD TYR 15 7.069 -0.185 -0.788 100 HE1 TYR 15 1HE TYR 15 9.719 2.230 2.567 101 HE2 TYR 15 2HE TYR 15 7.740 -1.319 1.283 102 HH TYR 15 HH TYR 15 9.447 -1.145 3.006 103 H GLN 16 H GLN 16 11.055 1.930 -1.853 104 HA GLN 16 HA GLN 16 10.885 -0.463 -3.534 105 1HB GLN 16 2HB GLN 16 12.787 1.026 -4.016 106 1HG GLN 16 2HG GLN 16 14.581 -0.517 -3.968 107 1HE2 GLN 16 1HE2 GLN 16 12.148 -2.794 -3.009 108 2HE2 GLN 16 2HE2 GLN 16 11.684 -3.301 -4.603 109 H GLU 17 H GLU 17 10.223 -2.181 -2.453 110 HA GLU 17 HA GLU 17 10.192 -2.578 0.281 111 1HB GLU 17 2HB GLU 17 9.787 -4.915 -0.199 112 1HG GLU 17 2HG GLU 17 10.964 -4.324 -2.889 113 H LYS 18 H LYS 18 11.660 -3.092 1.766 114 HA LYS 18 HA LYS 18 14.361 -3.778 0.867 115 1HB LYS 18 2HB LYS 18 15.227 -2.795 2.749 116 1HG LYS 18 2HG LYS 18 12.718 -3.474 4.233 117 1HD LYS 18 2HD LYS 18 15.154 -2.140 5.364 118 1HE LYS 18 2HE LYS 18 13.622 -3.407 6.863 119 1HZ LYS 18 1HZ LYS 18 11.474 -2.461 7.352 120 2HZ LYS 18 2HZ LYS 18 11.529 -2.899 5.714 121 3HZ LYS 18 3HZ LYS 18 11.676 -1.268 6.166 122 H SER 19 H SER 19 11.673 -5.336 1.684 123 HA SER 19 HA SER 19 13.057 -7.773 2.357 124 1HB SER 19 2HB SER 19 11.038 -6.535 4.253 125 HG SER 19 HG SER 19 13.733 -6.508 4.180 126 HA PRO 20 HA PRO 20 9.919 -9.421 -0.240 127 1HB PRO 20 2HB PRO 20 9.394 -11.835 1.024 128 1HG PRO 20 2HG PRO 20 10.760 -11.609 2.858 129 1HD PRO 20 2HD PRO 20 12.255 -9.861 3.059 130 H ALA 21 H ALA 21 9.229 -9.120 3.163 131 HA ALA 21 HA ALA 21 6.417 -9.631 2.925 132 1HB ALA 21 1HB ALA 21 7.963 -8.247 5.117 133 2HB ALA 21 2HB ALA 21 6.268 -8.726 5.205 134 3HB ALA 21 3HB ALA 21 7.527 -9.955 5.059 135 H GLU 22 H GLU 22 8.407 -7.067 2.058 136 HA GLU 22 HA GLU 22 6.310 -5.031 2.273 137 1HB GLU 22 2HB GLU 22 9.248 -4.920 1.567 138 1HG GLU 22 2HG GLU 22 7.828 -3.362 3.682 139 H VAL 23 H VAL 23 6.147 -3.560 0.247 140 HA VAL 23 HA VAL 23 6.504 -5.170 -2.190 141 HB VAL 23 HB VAL 23 4.363 -5.074 -2.819 142 1HG1 VAL 23 1HG1 VAL 23 2.662 -4.650 -1.120 143 2HG1 VAL 23 2HG1 VAL 23 3.987 -5.647 -0.517 144 3HG1 VAL 23 3HG1 VAL 23 3.895 -3.941 -0.078 145 1HG2 VAL 23 1HG2 VAL 23 2.979 -3.028 -2.818 146 2HG2 VAL 23 2HG2 VAL 23 4.281 -2.177 -1.987 147 3HG2 VAL 23 3HG2 VAL 23 4.538 -2.808 -3.613 148 H THR 24 H THR 24 7.300 -4.180 -3.919 149 HA THR 24 HA THR 24 8.174 -1.438 -3.791 150 HB THR 24 HB THR 24 8.147 -3.281 -6.196 151 HG1 THR 24 1HG THR 24 9.281 -4.145 -4.309 152 1HG2 THR 24 1HG2 THR 24 8.557 -0.934 -6.733 153 2HG2 THR 24 2HG2 THR 24 10.021 -1.892 -6.961 154 3HG2 THR 24 3HG2 THR 24 9.846 -0.873 -5.532 155 H MET 25 H MET 25 7.133 0.327 -4.593 156 HA MET 25 HA MET 25 4.928 -0.017 -6.480 157 1HB MET 25 2HB MET 25 3.342 1.228 -5.146 158 1HG MET 25 2HG MET 25 5.484 1.376 -3.039 159 1HE MET 25 1HE MET 25 4.989 2.749 -0.777 160 2HE MET 25 2HE MET 25 4.289 4.054 -1.732 161 3HE MET 25 3HE MET 25 3.397 3.383 -0.369 162 H LYS 26 H LYS 26 4.436 1.872 -7.657 163 HA LYS 26 HA LYS 26 6.351 4.068 -7.290 164 1HB LYS 26 2HB LYS 26 4.719 3.238 -9.688 165 1HG LYS 26 2HG LYS 26 6.868 2.035 -9.352 166 1HD LYS 26 2HD LYS 26 8.031 4.795 -9.753 167 1HE LYS 26 2HE LYS 26 9.267 2.046 -9.825 168 1HZ LYS 26 1HZ LYS 26 11.404 3.117 -9.861 169 2HZ LYS 26 2HZ LYS 26 10.602 3.502 -8.417 170 3HZ LYS 26 3HZ LYS 26 10.693 4.648 -9.667 171 H LYS 27 H LYS 27 5.685 6.065 -6.825 172 HA LYS 27 HA LYS 27 3.143 6.622 -5.865 173 1HB LYS 27 2HB LYS 27 3.829 8.813 -5.594 174 1HG LYS 27 2HG LYS 27 4.178 9.231 -8.064 175 1HD LYS 27 2HD LYS 27 7.036 8.566 -7.347 176 1HE LYS 27 2HE LYS 27 5.877 9.315 -10.016 177 1HZ LYS 27 1HZ LYS 27 8.664 9.145 -9.014 178 2HZ LYS 27 2HZ LYS 27 8.221 9.742 -10.538 179 3HZ LYS 27 3HZ LYS 27 7.932 8.118 -10.148 180 H GLY 28 H GLY 28 1.356 7.619 -6.703 181 1HA GLY 28 1HA GLY 28 0.081 8.605 -8.455 182 2HA GLY 28 2HA GLY 28 1.282 8.044 -9.607 183 H ASP 29 H ASP 29 1.124 5.379 -8.009 184 HA ASP 29 HA ASP 29 -0.989 4.243 -9.632 185 1HB ASP 29 2HB ASP 29 1.114 3.073 -7.829 186 H ILE 30 H ILE 30 -2.746 3.047 -8.833 187 HA ILE 30 HA ILE 30 -3.660 3.903 -6.165 188 HB ILE 30 HB ILE 30 -5.309 2.717 -8.410 189 1HG1 ILE 30 2HG1 ILE 30 -4.428 4.856 -9.149 190 1HG2 ILE 30 1HG2 ILE 30 -6.143 4.142 -5.889 191 2HG2 ILE 30 2HG2 ILE 30 -7.223 3.536 -7.146 192 3HG2 ILE 30 3HG2 ILE 30 -6.259 2.409 -6.191 193 1HD1 ILE 30 1HD1 ILE 30 -5.592 6.045 -6.645 194 2HD1 ILE 30 2HD1 ILE 30 -3.877 5.895 -7.023 195 3HD1 ILE 30 3HD1 ILE 30 -4.905 6.940 -8.001 196 H LEU 31 H LEU 31 -3.546 2.390 -4.591 197 HA LEU 31 HA LEU 31 -3.231 -0.405 -5.460 198 1HB LEU 31 2HB LEU 31 -2.538 0.331 -2.685 199 HG LEU 31 HG LEU 31 -1.346 2.180 -3.607 200 1HD1 LEU 31 1HD1 LEU 31 -0.168 0.665 -2.036 201 2HD1 LEU 31 2HD1 LEU 31 0.548 -0.147 -3.431 202 3HD1 LEU 31 3HD1 LEU 31 0.914 1.549 -3.114 203 1HD2 LEU 31 1HD2 LEU 31 0.127 2.057 -5.487 204 2HD2 LEU 31 2HD2 LEU 31 -0.140 0.322 -5.642 205 3HD2 LEU 31 3HD2 LEU 31 -1.450 1.445 -5.991 206 H THR 32 H THR 32 -4.128 -2.071 -4.100 207 HA THR 32 HA THR 32 -6.672 -1.335 -2.915 208 HB THR 32 HB THR 32 -5.384 -4.067 -3.154 209 HG1 THR 32 1HG THR 32 -6.561 -4.292 -5.026 210 1HG2 THR 32 1HG2 THR 32 -7.114 -3.944 -1.425 211 2HG2 THR 32 2HG2 THR 32 -7.650 -4.915 -2.796 212 3HG2 THR 32 3HG2 THR 32 -8.249 -3.262 -2.603 213 H LEU 33 H LEU 33 -7.070 -1.246 -0.745 214 HA LEU 33 HA LEU 33 -4.769 -1.525 1.003 215 1HB LEU 33 2HB LEU 33 -6.771 0.358 0.859 216 HG LEU 33 HG LEU 33 -4.838 1.088 1.900 217 1HD1 LEU 33 1HD1 LEU 33 -6.818 2.029 2.915 218 2HD1 LEU 33 2HD1 LEU 33 -6.863 0.712 4.088 219 3HD1 LEU 33 3HD1 LEU 33 -5.525 1.858 4.103 220 1HD2 LEU 33 1HD2 LEU 33 -3.872 0.079 3.907 221 2HD2 LEU 33 2HD2 LEU 33 -5.119 -1.168 3.877 222 3HD2 LEU 33 3HD2 LEU 33 -3.943 -1.065 2.567 223 H LEU 34 H LEU 34 -4.482 -3.344 2.040 224 HA LEU 34 HA LEU 34 -6.701 -5.214 2.361 225 1HB LEU 34 2HB LEU 34 -3.710 -5.503 2.521 226 HG LEU 34 HG LEU 34 -4.614 -5.361 0.209 227 1HD1 LEU 34 1HD1 LEU 34 -3.526 -7.349 -0.627 228 2HD1 LEU 34 2HD1 LEU 34 -2.610 -6.687 0.729 229 3HD1 LEU 34 3HD1 LEU 34 -3.632 -8.106 0.962 230 1HD2 LEU 34 1HD2 LEU 34 -5.967 -7.253 -0.626 231 2HD2 LEU 34 2HD2 LEU 34 -6.172 -7.807 1.035 232 3HD2 LEU 34 3HD2 LEU 34 -6.829 -6.247 0.537 233 H ASN 35 H ASN 35 -4.506 -3.258 4.205 234 HA ASN 35 HA ASN 35 -5.964 -3.855 6.632 235 1HB ASN 35 2HB ASN 35 -4.462 -5.476 7.188 236 1HD2 ASN 35 1HD2 ASN 35 -1.897 -3.099 6.940 237 2HD2 ASN 35 2HD2 ASN 35 -1.716 -2.866 8.640 238 H SER 36 H SER 36 -6.218 -2.062 7.785 239 HA SER 36 HA SER 36 -4.137 0.009 7.668 240 1HB SER 36 2HB SER 36 -6.092 1.686 7.717 241 HG SER 36 HG SER 36 -7.702 0.206 6.197 242 H THR 37 H THR 37 -5.306 -2.125 9.592 243 HA THR 37 HA THR 37 -6.193 -0.440 11.786 244 HB THR 37 HB THR 37 -7.318 -2.615 11.333 245 HG1 THR 37 1HG THR 37 -6.043 -2.683 13.881 246 1HG2 THR 37 1HG2 THR 37 -5.354 -3.932 10.679 247 2HG2 THR 37 2HG2 THR 37 -6.215 -4.700 12.014 248 3HG2 THR 37 3HG2 THR 37 -4.722 -3.810 12.321 249 H ASN 38 H ASN 38 -3.289 -1.129 10.540 250 HA ASN 38 HA ASN 38 -1.946 -1.343 13.145 251 1HB ASN 38 2HB ASN 38 -1.337 -2.995 11.347 252 1HD2 ASN 38 1HD2 ASN 38 1.295 -2.755 10.428 253 2HD2 ASN 38 2HD2 ASN 38 2.325 -2.681 11.817 254 H LYS 39 H LYS 39 -0.373 0.193 13.740 255 HA LYS 39 HA LYS 39 -1.105 2.817 12.828 256 1HB LYS 39 2HB LYS 39 0.108 3.670 14.694 257 1HG LYS 39 2HG LYS 39 1.293 1.771 16.170 258 1HD LYS 39 2HD LYS 39 2.657 3.423 14.036 259 1HE LYS 39 2HE LYS 39 3.734 2.166 16.552 260 1HZ LYS 39 1HZ LYS 39 4.664 4.361 16.203 261 2HZ LYS 39 2HZ LYS 39 5.072 3.971 14.604 262 3HZ LYS 39 3HZ LYS 39 5.830 3.170 15.893 263 H ASP 40 H ASP 40 1.232 0.635 11.798 264 HA ASP 40 HA ASP 40 2.929 2.818 10.787 265 1HB ASP 40 2HB ASP 40 3.868 1.479 12.807 266 H TRP 41 H TRP 41 2.861 -0.721 10.532 267 HA TRP 41 HA TRP 41 3.365 -0.481 7.688 268 1HB TRP 41 2HB TRP 41 3.358 -2.838 9.574 269 HD1 TRP 41 HD TRP 41 5.444 -2.120 10.982 270 HE1 TRP 41 1HE TRP 41 7.911 -1.663 10.406 271 HE3 TRP 41 3HE TRP 41 5.079 -1.996 5.885 272 HZ2 TRP 41 2HZ TRP 41 9.489 -1.295 8.095 273 HZ3 TRP 41 3HZ TRP 41 7.113 -1.584 4.567 274 HH2 TRP 41 HH TRP 41 9.271 -1.241 5.651 275 H TRP 42 H TRP 42 1.762 -0.357 6.331 276 HA TRP 42 HA TRP 42 -0.791 -1.653 6.971 277 1HB TRP 42 2HB TRP 42 -0.003 0.501 5.027 278 HD1 TRP 42 HD TRP 42 -0.820 0.054 8.450 279 HE1 TRP 42 1HE TRP 42 -2.134 2.038 9.420 280 HE3 TRP 42 3HE TRP 42 -2.311 2.189 4.093 281 HZ2 TRP 42 2HZ TRP 42 -3.610 4.247 8.445 282 HZ3 TRP 42 3HZ TRP 42 -3.671 4.257 4.175 283 HH2 TRP 42 HH TRP 42 -4.305 5.261 6.318 284 H LYS 43 H LYS 43 -1.878 -2.804 5.189 285 HA LYS 43 HA LYS 43 0.109 -4.303 3.615 286 1HB LYS 43 2HB LYS 43 -1.398 -5.477 5.438 287 1HG LYS 43 2HG LYS 43 -1.238 -6.667 2.677 288 1HD LYS 43 2HD LYS 43 -1.288 -8.004 5.390 289 1HE LYS 43 2HE LYS 43 -1.908 -9.998 3.958 290 1HZ LYS 43 1HZ LYS 43 0.301 -9.764 4.935 291 2HZ LYS 43 2HZ LYS 43 0.834 -8.921 3.562 292 3HZ LYS 43 3HZ LYS 43 0.353 -10.538 3.431 293 H VAL 44 H VAL 44 0.012 -3.948 1.511 294 HA VAL 44 HA VAL 44 -2.561 -3.098 0.366 295 HB VAL 44 HB VAL 44 -1.344 -1.599 -1.188 296 1HG1 VAL 44 1HG1 VAL 44 -0.936 -0.958 1.732 297 2HG1 VAL 44 2HG1 VAL 44 -0.952 0.209 0.408 298 3HG1 VAL 44 3HG1 VAL 44 -2.416 -0.693 0.808 299 1HG2 VAL 44 1HG2 VAL 44 1.024 -2.120 0.611 300 2HG2 VAL 44 2HG2 VAL 44 0.854 -2.681 -1.055 301 3HG2 VAL 44 3HG2 VAL 44 0.955 -0.954 -0.711 302 H GLU 45 H GLU 45 -2.623 -3.382 -2.008 303 HA GLU 45 HA GLU 45 -0.883 -5.564 -2.916 304 1HB GLU 45 2HB GLU 45 -3.074 -6.473 -2.248 305 1HG GLU 45 2HG GLU 45 -2.909 -6.468 -5.248 306 H VAL 46 H VAL 46 0.194 -4.972 -4.641 307 HA VAL 46 HA VAL 46 -1.039 -3.034 -6.491 308 HB VAL 46 HB VAL 46 1.910 -3.230 -6.427 309 1HG1 VAL 46 1HG1 VAL 46 1.608 -0.713 -6.615 310 2HG1 VAL 46 2HG1 VAL 46 1.010 -1.693 -7.959 311 3HG1 VAL 46 3HG1 VAL 46 -0.116 -1.050 -6.770 312 1HG2 VAL 46 1HG2 VAL 46 1.474 -3.233 -4.045 313 2HG2 VAL 46 2HG2 VAL 46 2.120 -1.670 -4.542 314 3HG2 VAL 46 3HG2 VAL 46 0.396 -1.845 -4.218 315 H ASN 47 H ASN 47 -1.202 -3.683 -8.528 316 HA ASN 47 HA ASN 47 -1.525 -5.165 -10.167 317 1HB ASN 47 2HB ASN 47 0.469 -6.089 -11.290 318 1HD2 ASN 47 1HD2 ASN 47 2.287 -3.682 -9.693 319 2HD2 ASN 47 2HD2 ASN 47 3.542 -4.723 -9.101 320 H ASP 48 H ASP 48 0.958 -7.160 -8.570 321 HA ASP 48 HA ASP 48 -1.138 -9.107 -7.958 322 1HB ASP 48 2HB ASP 48 -0.014 -9.817 -10.030 323 H ARG 49 H ARG 49 1.542 -7.332 -7.015 324 HA ARG 49 HA ARG 49 2.489 -9.216 -5.013 325 1HB ARG 49 2HB ARG 49 4.176 -8.017 -6.274 326 1HG ARG 49 2HG ARG 49 4.145 -6.653 -3.607 327 1HD ARG 49 2HD ARG 49 6.566 -6.940 -3.744 328 HE ARG 49 HE ARG 49 5.773 -4.891 -4.828 329 1HH1 ARG 49 2HH1 ARG 49 6.902 -7.509 -6.843 330 2HH1 ARG 49 1HH1 ARG 49 7.184 -6.506 -8.235 331 1HH2 ARG 49 2HH2 ARG 49 6.127 -3.549 -6.650 332 2HH2 ARG 49 1HH2 ARG 49 6.792 -4.242 -8.107 333 H GLN 50 H GLN 50 1.308 -9.324 -3.238 334 HA GLN 50 HA GLN 50 0.358 -6.830 -2.029 335 1HB GLN 50 2HB GLN 50 -1.008 -8.355 -0.567 336 1HG GLN 50 2HG GLN 50 -1.356 -10.613 -1.998 337 1HE2 GLN 50 1HE2 GLN 50 -2.286 -11.008 0.000 338 2HE2 GLN 50 2HE2 GLN 50 -1.347 -11.512 1.368 339 H GLY 51 H GLY 51 0.872 -6.321 0.102 340 1HA GLY 51 1HA GLY 51 2.340 -7.868 1.885 341 2HA GLY 51 2HA GLY 51 3.505 -7.038 0.864 342 H PHE 52 H PHE 52 4.289 -5.825 2.613 343 HA PHE 52 HA PHE 52 2.352 -3.968 3.796 344 1HB PHE 52 2HB PHE 52 4.869 -5.188 4.855 345 HD1 PHE 52 1HD PHE 52 2.158 -3.608 6.727 346 HD2 PHE 52 2HD PHE 52 3.735 -7.278 5.272 347 HE1 PHE 52 1HE PHE 52 0.641 -4.839 8.214 348 HE2 PHE 52 2HE PHE 52 2.212 -8.518 6.755 349 HZ PHE 52 HZ PHE 52 0.668 -7.293 8.234 350 H VAL 53 H VAL 53 2.739 -1.858 3.986 351 HA VAL 53 HA VAL 53 5.210 -0.682 2.914 352 HB VAL 53 HB VAL 53 3.897 1.115 1.812 353 1HG1 VAL 53 1HG1 VAL 53 4.765 -0.695 0.460 354 2HG1 VAL 53 2HG1 VAL 53 3.319 -1.655 0.781 355 3HG1 VAL 53 3HG1 VAL 53 3.199 -0.166 -0.156 356 1HG2 VAL 53 1HG2 VAL 53 1.522 -0.662 2.369 357 2HG2 VAL 53 2HG2 VAL 53 1.828 0.926 3.074 358 3HG2 VAL 53 3HG2 VAL 53 1.511 0.774 1.345 359 HA PRO 54 HA PRO 54 4.624 2.000 6.453 360 1HB PRO 54 2HB PRO 54 5.532 4.370 5.147 361 1HG PRO 54 2HG PRO 54 7.041 3.614 3.628 362 1HD PRO 54 2HD PRO 54 5.436 2.337 2.604 363 H ALA 55 H ALA 55 2.922 3.062 7.245 364 HA ALA 55 HA ALA 55 0.695 3.730 5.685 365 1HB ALA 55 1HB ALA 55 1.384 4.667 8.471 366 2HB ALA 55 2HB ALA 55 -0.212 4.742 7.722 367 3HB ALA 55 3HB ALA 55 0.535 3.180 8.054 368 H ALA 56 H ALA 56 3.468 5.598 6.578 369 HA ALA 56 HA ALA 56 2.272 8.154 6.005 370 1HB ALA 56 1HB ALA 56 4.013 7.925 7.704 371 2HB ALA 56 2HB ALA 56 5.158 7.416 6.463 372 3HB ALA 56 3HB ALA 56 4.496 9.052 6.436 373 H TYR 57 H TYR 57 3.051 5.743 3.991 374 HA TYR 57 HA TYR 57 4.258 7.509 1.964 375 1HB TYR 57 2HB TYR 57 4.511 4.574 2.464 376 HD1 TYR 57 1HD TYR 57 6.873 5.021 0.231 377 HD2 TYR 57 2HD TYR 57 5.848 6.654 4.017 378 HE1 TYR 57 1HE TYR 57 9.225 5.633 0.595 379 HE2 TYR 57 2HE TYR 57 8.195 7.262 4.399 380 HH TYR 57 HH TYR 57 10.467 6.481 3.576 381 H VAL 58 H VAL 58 1.431 5.761 2.759 382 HA VAL 58 HA VAL 58 0.400 6.252 0.046 383 HB VAL 58 HB VAL 58 -1.212 4.440 0.393 384 1HG1 VAL 58 1HG1 VAL 58 0.865 3.912 -0.721 385 2HG1 VAL 58 2HG1 VAL 58 1.658 3.636 0.833 386 3HG1 VAL 58 3HG1 VAL 58 0.374 2.553 0.291 387 1HG2 VAL 58 1HG2 VAL 58 -1.385 4.536 2.826 388 2HG2 VAL 58 2HG2 VAL 58 -0.985 2.907 2.285 389 3HG2 VAL 58 3HG2 VAL 58 0.267 3.940 2.976 390 H LYS 59 H LYS 59 -1.728 7.048 -0.136 391 HA LYS 59 HA LYS 59 -2.695 8.376 2.316 392 1HB LYS 59 2HB LYS 59 -1.882 9.913 0.539 393 1HG LYS 59 2HG LYS 59 -4.832 9.982 1.097 394 1HD LYS 59 2HD LYS 59 -3.095 12.088 -0.183 395 1HE LYS 59 2HE LYS 59 -5.275 13.338 -0.293 396 1HZ LYS 59 1HZ LYS 59 -4.107 12.802 2.384 397 2HZ LYS 59 2HZ LYS 59 -5.170 14.074 2.046 398 3HZ LYS 59 3HZ LYS 59 -3.648 14.018 1.299 399 H LYS 60 H LYS 60 -4.877 8.304 2.796 400 HA LYS 60 HA LYS 60 -6.430 6.175 1.741 401 1HB LYS 60 2HB LYS 60 -7.273 8.570 3.386 402 1HG LYS 60 2HG LYS 60 -5.777 6.884 4.526 403 1HD LYS 60 2HD LYS 60 -6.522 4.809 3.656 404 1HE LYS 60 2HE LYS 60 -8.803 5.424 2.977 405 1HZ LYS 60 1HZ LYS 60 -10.580 5.486 4.580 406 2HZ LYS 60 2HZ LYS 60 -9.439 6.672 4.975 407 3HZ LYS 60 3HZ LYS 60 -9.499 5.232 5.861 408 H LEU 61 H LEU 61 -7.324 6.149 -0.219 409 HA LEU 61 HA LEU 61 -8.338 8.620 -1.387 410 1HB LEU 61 2HB LEU 61 -8.217 5.777 -2.390 411 HG LEU 61 HG LEU 61 -6.064 7.122 -2.557 412 1HD1 LEU 61 1HD1 LEU 61 -5.692 6.484 -4.890 413 2HD1 LEU 61 2HD1 LEU 61 -6.547 5.220 -4.008 414 3HD1 LEU 61 3HD1 LEU 61 -7.428 6.274 -5.114 415 1HD2 LEU 61 1HD2 LEU 61 -6.055 8.783 -4.429 416 2HD2 LEU 61 2HD2 LEU 61 -7.816 8.759 -4.387 417 3HD2 LEU 61 3HD2 LEU 61 -6.904 9.316 -2.982 418 H ASP 62 H ASP 62 -9.260 7.185 1.046 419 HA ASP 62 HA ASP 62 -12.120 7.019 0.411 420 1HB ASP 62 2HB ASP 62 -11.418 4.809 1.036 Start of MODEL 10 1 1H MET 1 1H MET 1 -7.058 -9.845 -6.312 2 2H MET 1 2H MET 1 -6.049 -8.809 -5.412 3 3H MET 1 3H MET 1 -7.192 -8.166 -6.491 4 HA MET 1 HA MET 1 -7.931 -9.812 -4.152 5 1HB MET 1 2HB MET 1 -6.718 -7.661 -3.570 6 1HG MET 1 2HG MET 1 -8.368 -6.844 -1.950 7 1HE MET 1 1HE MET 1 -8.845 -9.610 0.740 8 2HE MET 1 2HE MET 1 -8.762 -7.877 0.422 9 3HE MET 1 3HE MET 1 -10.084 -8.834 -0.247 10 H ASP 2 H ASP 2 -9.217 -6.868 -5.656 11 HA ASP 2 HA ASP 2 -11.330 -8.265 -6.997 12 1HB ASP 2 2HB ASP 2 -13.199 -7.219 -5.765 13 H GLU 3 H GLU 3 -10.393 -5.090 -5.659 14 HA GLU 3 HA GLU 3 -9.729 -3.196 -6.721 15 1HB GLU 3 2HB GLU 3 -10.005 -4.901 -9.184 16 1HG GLU 3 2HG GLU 3 -7.551 -3.659 -7.960 17 H THR 4 H THR 4 -12.780 -4.605 -7.282 18 HA THR 4 HA THR 4 -14.013 -2.736 -8.938 19 HB THR 4 HB THR 4 -15.670 -3.787 -6.717 20 HG1 THR 4 1HG THR 4 -15.055 -5.792 -6.946 21 1HG2 THR 4 1HG2 THR 4 -15.877 -3.928 -9.730 22 2HG2 THR 4 2HG2 THR 4 -16.656 -2.732 -8.693 23 3HG2 THR 4 3HG2 THR 4 -17.121 -4.431 -8.584 24 H GLY 5 H GLY 5 -13.211 -2.477 -5.525 25 1HA GLY 5 1HA GLY 5 -13.167 0.159 -5.175 26 2HA GLY 5 2HA GLY 5 -14.902 -0.136 -5.169 27 H LYS 6 H LYS 6 -13.091 0.796 -3.016 28 HA LYS 6 HA LYS 6 -13.994 -0.614 -0.802 29 1HB LYS 6 2HB LYS 6 -12.105 -1.980 -0.152 30 1HG LYS 6 2HG LYS 6 -10.791 -1.426 -2.801 31 1HD LYS 6 2HD LYS 6 -8.849 -2.446 -1.696 32 1HE LYS 6 2HE LYS 6 -10.585 -3.784 -3.040 33 1HZ LYS 6 1HZ LYS 6 -11.163 -4.884 -0.339 34 2HZ LYS 6 2HZ LYS 6 -11.684 -5.524 -1.821 35 3HZ LYS 6 3HZ LYS 6 -12.261 -4.019 -1.302 36 H GLU 7 H GLU 7 -11.652 -0.523 0.777 37 HA GLU 7 HA GLU 7 -11.498 2.099 1.660 38 1HB GLU 7 2HB GLU 7 -9.593 -0.220 1.961 39 1HG GLU 7 2HG GLU 7 -11.824 0.665 3.497 40 H LEU 8 H LEU 8 -9.076 0.381 -0.344 41 HA LEU 8 HA LEU 8 -7.519 1.045 -1.840 42 1HB LEU 8 2HB LEU 8 -9.505 3.271 -2.260 43 HG LEU 8 HG LEU 8 -10.266 0.941 -2.874 44 1HD1 LEU 8 1HD1 LEU 8 -11.113 1.615 -5.063 45 2HD1 LEU 8 2HD1 LEU 8 -11.225 2.935 -3.898 46 3HD1 LEU 8 3HD1 LEU 8 -9.945 2.936 -5.113 47 1HD2 LEU 8 1HD2 LEU 8 -8.122 0.040 -3.609 48 2HD2 LEU 8 2HD2 LEU 8 -9.309 -0.039 -4.911 49 3HD2 LEU 8 3HD2 LEU 8 -8.066 1.213 -4.925 50 H VAL 9 H VAL 9 -5.657 2.203 -2.114 51 HA VAL 9 HA VAL 9 -5.364 4.736 -0.697 52 HB VAL 9 HB VAL 9 -3.003 4.040 -0.043 53 1HG1 VAL 9 1HG1 VAL 9 -4.730 4.422 1.615 54 2HG1 VAL 9 2HG1 VAL 9 -5.366 2.795 1.365 55 3HG1 VAL 9 3HG1 VAL 9 -3.765 3.019 2.066 56 1HG2 VAL 9 1HG2 VAL 9 -4.212 1.299 -0.417 57 2HG2 VAL 9 2HG2 VAL 9 -2.885 1.992 -1.352 58 3HG2 VAL 9 3HG2 VAL 9 -2.667 1.644 0.363 59 H LEU 10 H LEU 10 -3.742 6.082 -1.462 60 HA LEU 10 HA LEU 10 -2.913 5.475 -4.217 61 1HB LEU 10 2HB LEU 10 -4.257 7.322 -4.412 62 HG LEU 10 HG LEU 10 -1.562 8.494 -3.844 63 1HD1 LEU 10 1HD1 LEU 10 -3.121 8.074 -6.379 64 2HD1 LEU 10 2HD1 LEU 10 -1.524 8.815 -6.259 65 3HD1 LEU 10 3HD1 LEU 10 -1.744 7.118 -5.831 66 1HD2 LEU 10 1HD2 LEU 10 -2.393 10.586 -4.818 67 2HD2 LEU 10 2HD2 LEU 10 -4.027 9.923 -4.817 68 3HD2 LEU 10 3HD2 LEU 10 -3.187 10.201 -3.291 69 H ALA 11 H ALA 11 -0.796 5.219 -4.576 70 HA ALA 11 HA ALA 11 1.127 5.560 -2.503 71 1HB ALA 11 1HB ALA 11 1.535 5.029 -5.448 72 2HB ALA 11 2HB ALA 11 2.754 4.853 -4.184 73 3HB ALA 11 3HB ALA 11 1.333 3.806 -4.194 74 H LEU 12 H LEU 12 1.828 7.502 -1.853 75 HA LEU 12 HA LEU 12 1.784 9.790 -3.640 76 1HB LEU 12 2HB LEU 12 2.897 9.638 -0.839 77 HG LEU 12 HG LEU 12 0.489 9.041 -0.778 78 1HD1 LEU 12 1HD1 LEU 12 1.208 11.768 0.287 79 2HD1 LEU 12 2HD1 LEU 12 -0.126 10.765 0.853 80 3HD1 LEU 12 3HD1 LEU 12 1.539 10.223 1.070 81 1HD2 LEU 12 1HD2 LEU 12 -0.225 10.218 -2.801 82 2HD2 LEU 12 2HD2 LEU 12 -1.167 10.736 -1.403 83 3HD2 LEU 12 3HD2 LEU 12 0.120 11.766 -2.030 84 H TYR 13 H TYR 13 4.117 7.679 -2.129 85 HA TYR 13 HA TYR 13 6.284 9.094 -3.533 86 1HB TYR 13 2HB TYR 13 6.695 7.509 -1.004 87 HD1 TYR 13 1HD TYR 13 6.290 8.322 1.187 88 HD2 TYR 13 2HD TYR 13 5.892 10.941 -2.139 89 HE1 TYR 13 1HE TYR 13 5.324 10.033 2.655 90 HE2 TYR 13 2HE TYR 13 4.935 12.662 -0.675 91 HH TYR 13 HH TYR 13 5.083 12.519 2.678 92 H ASP 14 H ASP 14 8.008 7.734 -4.321 93 HA ASP 14 HA ASP 14 7.161 5.104 -5.090 94 1HB ASP 14 2HB ASP 14 9.313 4.958 -6.230 95 H TYR 15 H TYR 15 7.753 3.186 -4.210 96 HA TYR 15 HA TYR 15 9.484 3.303 -1.836 97 1HB TYR 15 2HB TYR 15 7.058 3.307 -1.210 98 HD1 TYR 15 1HD TYR 15 8.980 3.407 0.630 99 HD2 TYR 15 2HD TYR 15 7.106 -0.150 -0.745 100 HE1 TYR 15 1HE TYR 15 9.639 2.267 2.699 101 HE2 TYR 15 2HE TYR 15 7.779 -1.308 1.301 102 HH TYR 15 HH TYR 15 8.959 0.321 4.047 103 H GLN 16 H GLN 16 11.094 1.929 -1.992 104 HA GLN 16 HA GLN 16 10.708 -0.502 -3.586 105 1HB GLN 16 2HB GLN 16 12.594 0.964 -4.247 106 1HG GLN 16 2HG GLN 16 14.305 -0.661 -4.423 107 1HE2 GLN 16 1HE2 GLN 16 11.829 -2.832 -3.285 108 2HE2 GLN 16 2HE2 GLN 16 11.220 -3.283 -4.850 109 H GLU 17 H GLU 17 10.065 -2.131 -2.415 110 HA GLU 17 HA GLU 17 10.248 -2.566 0.291 111 1HB GLU 17 2HB GLU 17 9.820 -4.903 -0.195 112 1HG GLU 17 2HG GLU 17 10.710 -4.251 -2.988 113 H LYS 18 H LYS 18 11.698 -3.520 1.680 114 HA LYS 18 HA LYS 18 14.342 -4.194 0.574 115 1HB LYS 18 2HB LYS 18 13.525 -3.403 3.386 116 1HG LYS 18 2HG LYS 18 15.607 -2.101 1.644 117 1HD LYS 18 2HD LYS 18 14.156 -1.122 4.093 118 1HE LYS 18 2HE LYS 18 14.951 0.642 2.572 119 1HZ LYS 18 1HZ LYS 18 16.786 -0.454 1.522 120 2HZ LYS 18 2HZ LYS 18 17.599 -0.632 2.999 121 3HZ LYS 18 3HZ LYS 18 17.379 0.913 2.335 122 H SER 19 H SER 19 11.637 -5.689 1.078 123 HA SER 19 HA SER 19 12.796 -8.252 1.433 124 1HB SER 19 2HB SER 19 11.750 -8.875 3.543 125 HG SER 19 HG SER 19 10.816 -6.182 3.673 126 HA PRO 20 HA PRO 20 9.158 -9.232 -0.919 127 1HB PRO 20 2HB PRO 20 8.664 -11.800 -0.071 128 1HG PRO 20 2HG PRO 20 10.205 -11.889 1.660 129 1HD PRO 20 2HD PRO 20 11.934 -10.352 1.856 130 H ALA 21 H ALA 21 9.106 -9.261 2.513 131 HA ALA 21 HA ALA 21 6.275 -9.677 2.798 132 1HB ALA 21 1HB ALA 21 8.284 -8.493 4.718 133 2HB ALA 21 2HB ALA 21 6.614 -8.903 5.111 134 3HB ALA 21 3HB ALA 21 7.750 -10.173 4.663 135 H GLU 22 H GLU 22 8.349 -7.108 1.972 136 HA GLU 22 HA GLU 22 6.264 -5.073 2.247 137 1HB GLU 22 2HB GLU 22 9.152 -4.970 1.349 138 1HG GLU 22 2HG GLU 22 7.996 -3.382 3.575 139 H VAL 23 H VAL 23 6.098 -3.632 0.164 140 HA VAL 23 HA VAL 23 6.468 -5.321 -2.222 141 HB VAL 23 HB VAL 23 4.398 -4.904 -3.153 142 1HG1 VAL 23 1HG1 VAL 23 2.698 -5.422 -1.484 143 2HG1 VAL 23 2HG1 VAL 23 4.144 -6.418 -1.310 144 3HG1 VAL 23 3HG1 VAL 23 3.866 -5.069 -0.211 145 1HG2 VAL 23 1HG2 VAL 23 2.806 -3.206 -2.371 146 2HG2 VAL 23 2HG2 VAL 23 4.004 -2.664 -1.201 147 3HG2 VAL 23 3HG2 VAL 23 4.330 -2.508 -2.922 148 H THR 24 H THR 24 7.057 -4.331 -4.065 149 HA THR 24 HA THR 24 8.124 -1.667 -3.953 150 HB THR 24 HB THR 24 7.803 -3.448 -6.378 151 HG1 THR 24 1HG THR 24 8.973 -4.427 -4.532 152 1HG2 THR 24 1HG2 THR 24 9.734 -2.198 -7.227 153 2HG2 THR 24 2HG2 THR 24 9.746 -1.220 -5.760 154 3HG2 THR 24 3HG2 THR 24 8.382 -1.122 -6.873 155 H MET 25 H MET 25 7.072 0.167 -4.515 156 HA MET 25 HA MET 25 4.835 0.013 -6.391 157 1HB MET 25 2HB MET 25 3.316 1.218 -5.005 158 1HG MET 25 2HG MET 25 5.510 1.446 -2.957 159 1HE MET 25 1HE MET 25 3.457 3.650 -0.391 160 2HE MET 25 2HE MET 25 5.047 2.982 -0.761 161 3HE MET 25 3HE MET 25 4.338 4.207 -1.812 162 H LYS 26 H LYS 26 4.561 1.846 -7.634 163 HA LYS 26 HA LYS 26 6.473 4.014 -7.124 164 1HB LYS 26 2HB LYS 26 5.346 2.926 -9.687 165 1HG LYS 26 2HG LYS 26 7.575 2.138 -8.759 166 1HD LYS 26 2HD LYS 26 8.461 4.860 -9.714 167 1HE LYS 26 2HE LYS 26 10.629 4.196 -8.783 168 1HZ LYS 26 1HZ LYS 26 11.250 2.588 -10.446 169 2HZ LYS 26 2HZ LYS 26 10.210 3.740 -11.129 170 3HZ LYS 26 3HZ LYS 26 9.625 2.197 -10.737 171 H LYS 27 H LYS 27 5.801 6.037 -6.930 172 HA LYS 27 HA LYS 27 3.245 6.521 -5.999 173 1HB LYS 27 2HB LYS 27 3.858 8.737 -5.714 174 1HG LYS 27 2HG LYS 27 4.399 9.012 -8.253 175 1HD LYS 27 2HD LYS 27 7.151 8.798 -7.034 176 1HE LYS 27 2HE LYS 27 6.409 9.472 -9.865 177 1HZ LYS 27 1HZ LYS 27 8.712 10.204 -9.968 178 2HZ LYS 27 2HZ LYS 27 8.614 8.557 -9.566 179 3HZ LYS 27 3HZ LYS 27 8.962 9.708 -8.366 180 H GLY 28 H GLY 28 1.458 7.553 -6.793 181 1HA GLY 28 1HA GLY 28 0.227 8.604 -8.570 182 2HA GLY 28 2HA GLY 28 1.323 7.850 -9.720 183 H ASP 29 H ASP 29 1.164 5.266 -8.196 184 HA ASP 29 HA ASP 29 -1.136 4.264 -9.627 185 1HB ASP 29 2HB ASP 29 1.078 2.968 -8.065 186 H ILE 30 H ILE 30 -2.918 3.242 -8.791 187 HA ILE 30 HA ILE 30 -3.591 3.879 -6.012 188 HB ILE 30 HB ILE 30 -5.393 2.696 -8.132 189 1HG1 ILE 30 2HG1 ILE 30 -4.629 4.850 -8.938 190 1HG2 ILE 30 1HG2 ILE 30 -6.187 2.331 -5.871 191 2HG2 ILE 30 2HG2 ILE 30 -6.012 4.047 -5.507 192 3HG2 ILE 30 3HG2 ILE 30 -7.209 3.515 -6.685 193 1HD1 ILE 30 1HD1 ILE 30 -4.974 6.916 -7.746 194 2HD1 ILE 30 2HD1 ILE 30 -5.570 6.031 -6.343 195 3HD1 ILE 30 3HD1 ILE 30 -3.887 5.861 -6.844 196 H LEU 31 H LEU 31 -3.418 2.329 -4.492 197 HA LEU 31 HA LEU 31 -3.019 -0.429 -5.451 198 1HB LEU 31 2HB LEU 31 -2.326 0.307 -2.667 199 HG LEU 31 HG LEU 31 -1.210 2.172 -3.732 200 1HD1 LEU 31 1HD1 LEU 31 1.051 1.663 -3.121 201 2HD1 LEU 31 2HD1 LEU 31 -0.032 0.820 -2.012 202 3HD1 LEU 31 3HD1 LEU 31 0.755 -0.065 -3.320 203 1HD2 LEU 31 1HD2 LEU 31 0.038 0.160 -5.596 204 2HD2 LEU 31 2HD2 LEU 31 -1.247 1.280 -6.046 205 3HD2 LEU 31 3HD2 LEU 31 0.335 1.896 -5.569 206 H THR 32 H THR 32 -3.865 -2.149 -4.162 207 HA THR 32 HA THR 32 -6.493 -1.570 -3.099 208 HB THR 32 HB THR 32 -5.014 -4.204 -3.345 209 HG1 THR 32 1HG THR 32 -5.896 -4.363 -5.292 210 1HG2 THR 32 1HG2 THR 32 -7.911 -3.614 -2.742 211 2HG2 THR 32 2HG2 THR 32 -6.727 -4.299 -1.627 212 3HG2 THR 32 3HG2 THR 32 -7.236 -5.218 -3.046 213 H LEU 33 H LEU 33 -6.915 -1.272 -0.966 214 HA LEU 33 HA LEU 33 -4.767 -1.626 0.922 215 1HB LEU 33 2HB LEU 33 -6.969 0.106 0.786 216 HG LEU 33 HG LEU 33 -4.994 0.968 1.718 217 1HD1 LEU 33 1HD1 LEU 33 -7.028 0.622 3.906 218 2HD1 LEU 33 2HD1 LEU 33 -5.654 1.723 3.994 219 3HD1 LEU 33 3HD1 LEU 33 -6.893 1.958 2.761 220 1HD2 LEU 33 1HD2 LEU 33 -3.921 0.093 3.726 221 2HD2 LEU 33 2HD2 LEU 33 -5.124 -1.194 3.811 222 3HD2 LEU 33 3HD2 LEU 33 -3.999 -1.129 2.454 223 H LEU 34 H LEU 34 -4.491 -3.273 2.192 224 HA LEU 34 HA LEU 34 -6.569 -5.347 2.322 225 1HB LEU 34 2HB LEU 34 -3.566 -5.483 2.577 226 HG LEU 34 HG LEU 34 -4.330 -5.395 0.236 227 1HD1 LEU 34 1HD1 LEU 34 -2.342 -6.668 0.781 228 2HD1 LEU 34 2HD1 LEU 34 -3.325 -8.094 1.123 229 3HD1 LEU 34 3HD1 LEU 34 -3.239 -7.453 -0.519 230 1HD2 LEU 34 1HD2 LEU 34 -5.626 -7.302 -0.660 231 2HD2 LEU 34 2HD2 LEU 34 -5.921 -7.846 0.992 232 3HD2 LEU 34 3HD2 LEU 34 -6.554 -6.291 0.444 233 H ASN 35 H ASN 35 -4.482 -3.301 4.204 234 HA ASN 35 HA ASN 35 -5.950 -3.977 6.614 235 1HB ASN 35 2HB ASN 35 -4.357 -5.509 7.172 236 1HD2 ASN 35 1HD2 ASN 35 -1.926 -3.008 6.956 237 2HD2 ASN 35 2HD2 ASN 35 -1.785 -2.748 8.659 238 H SER 36 H SER 36 -6.276 -2.209 7.814 239 HA SER 36 HA SER 36 -4.306 -0.039 7.699 240 1HB SER 36 2HB SER 36 -6.254 1.590 7.647 241 HG SER 36 HG SER 36 -8.046 0.329 6.354 242 H THR 37 H THR 37 -5.555 -2.217 9.607 243 HA THR 37 HA THR 37 -6.492 -0.553 11.779 244 HB THR 37 HB THR 37 -7.517 -2.765 11.430 245 HG1 THR 37 1HG THR 37 -6.262 -2.035 13.818 246 1HG2 THR 37 1HG2 THR 37 -4.811 -3.854 12.228 247 2HG2 THR 37 2HG2 THR 37 -5.548 -3.986 10.633 248 3HG2 THR 37 3HG2 THR 37 -6.279 -4.809 12.013 249 H ASN 38 H ASN 38 -3.530 -1.337 10.568 250 HA ASN 38 HA ASN 38 -2.175 -1.277 13.162 251 1HB ASN 38 2HB ASN 38 -1.498 -2.926 11.342 252 1HD2 ASN 38 1HD2 ASN 38 1.176 -2.475 10.499 253 2HD2 ASN 38 2HD2 ASN 38 2.153 -2.381 11.928 254 H LYS 39 H LYS 39 -0.563 0.389 13.570 255 HA LYS 39 HA LYS 39 -1.557 2.884 12.481 256 1HB LYS 39 2HB LYS 39 -0.677 3.973 14.370 257 1HG LYS 39 2HG LYS 39 0.952 1.537 15.056 258 1HD LYS 39 2HD LYS 39 0.703 4.211 16.417 259 1HE LYS 39 2HE LYS 39 2.968 3.326 16.534 260 1HZ LYS 39 1HZ LYS 39 1.734 0.904 17.732 261 2HZ LYS 39 2HZ LYS 39 3.397 1.221 17.614 262 3HZ LYS 39 3HZ LYS 39 2.480 0.974 16.211 263 H ASP 40 H ASP 40 1.274 0.938 12.054 264 HA ASP 40 HA ASP 40 2.610 3.260 10.854 265 1HB ASP 40 2HB ASP 40 4.760 2.277 11.486 266 H TRP 41 H TRP 41 2.468 -0.318 10.637 267 HA TRP 41 HA TRP 41 3.181 -0.042 7.797 268 1HB TRP 41 2HB TRP 41 3.379 -2.362 9.704 269 HD1 TRP 41 HD TRP 41 5.414 -1.224 10.961 270 HE1 TRP 41 1HE TRP 41 7.849 -0.767 10.270 271 HE3 TRP 41 3HE TRP 41 4.980 -1.927 5.911 272 HZ2 TRP 41 2HZ TRP 41 9.380 -0.709 7.910 273 HZ3 TRP 41 3HZ TRP 41 6.987 -1.651 4.512 274 HH2 TRP 41 HH TRP 41 9.137 -1.055 5.493 275 H TRP 42 H TRP 42 1.629 -0.157 6.363 276 HA TRP 42 HA TRP 42 -0.872 -1.538 7.050 277 1HB TRP 42 2HB TRP 42 -0.186 0.585 5.032 278 HD1 TRP 42 HD TRP 42 -0.993 0.181 8.479 279 HE1 TRP 42 1HE TRP 42 -2.334 2.158 9.417 280 HE3 TRP 42 3HE TRP 42 -2.503 2.243 4.089 281 HZ2 TRP 42 2HZ TRP 42 -3.827 4.327 8.421 282 HZ3 TRP 42 3HZ TRP 42 -3.917 4.297 4.155 283 HH2 TRP 42 HH TRP 42 -4.528 5.302 6.286 284 H LYS 43 H LYS 43 -1.921 -2.677 5.137 285 HA LYS 43 HA LYS 43 0.176 -4.103 3.630 286 1HB LYS 43 2HB LYS 43 -1.261 -5.386 5.456 287 1HG LYS 43 2HG LYS 43 -0.943 -6.545 2.694 288 1HD LYS 43 2HD LYS 43 -0.871 -7.936 5.384 289 1HE LYS 43 2HE LYS 43 -0.788 -8.926 2.542 290 1HZ LYS 43 1HZ LYS 43 -1.340 -10.655 4.877 291 2HZ LYS 43 2HZ LYS 43 -1.370 -11.071 3.234 292 3HZ LYS 43 3HZ LYS 43 -2.576 -10.069 3.875 293 H VAL 44 H VAL 44 -0.031 -4.090 1.480 294 HA VAL 44 HA VAL 44 -2.594 -3.238 0.341 295 HB VAL 44 HB VAL 44 -1.391 -1.735 -1.238 296 1HG1 VAL 44 1HG1 VAL 44 -2.543 -0.815 0.705 297 2HG1 VAL 44 2HG1 VAL 44 -1.089 -1.027 1.679 298 3HG1 VAL 44 3HG1 VAL 44 -1.091 0.114 0.334 299 1HG2 VAL 44 1HG2 VAL 44 0.862 -1.000 -0.717 300 2HG2 VAL 44 2HG2 VAL 44 0.931 -2.118 0.646 301 3HG2 VAL 44 3HG2 VAL 44 0.833 -2.740 -1.001 302 H GLU 45 H GLU 45 -2.591 -3.433 -2.033 303 HA GLU 45 HA GLU 45 -0.982 -5.713 -2.973 304 1HB GLU 45 2HB GLU 45 -3.234 -6.500 -2.613 305 1HG GLU 45 2HG GLU 45 -2.822 -5.919 -5.537 306 H VAL 46 H VAL 46 0.310 -5.100 -4.573 307 HA VAL 46 HA VAL 46 -0.616 -2.952 -6.372 308 HB VAL 46 HB VAL 46 2.289 -3.319 -5.829 309 1HG1 VAL 46 1HG1 VAL 46 1.881 -1.846 -7.589 310 2HG1 VAL 46 2HG1 VAL 46 0.529 -1.088 -6.748 311 3HG1 VAL 46 3HG1 VAL 46 2.175 -0.800 -6.197 312 1HG2 VAL 46 1HG2 VAL 46 0.420 -1.747 -4.076 313 2HG2 VAL 46 2HG2 VAL 46 1.399 -3.134 -3.605 314 3HG2 VAL 46 3HG2 VAL 46 2.179 -1.615 -4.045 315 H ASN 47 H ASN 47 -0.971 -3.794 -8.256 316 HA ASN 47 HA ASN 47 -1.013 -5.065 -10.073 317 1HB ASN 47 2HB ASN 47 0.924 -5.402 -11.338 318 1HD2 ASN 47 1HD2 ASN 47 2.972 -3.757 -9.151 319 2HD2 ASN 47 2HD2 ASN 47 4.140 -5.028 -8.978 320 H ASP 48 H ASP 48 1.465 -6.749 -8.143 321 HA ASP 48 HA ASP 48 -0.320 -9.005 -7.878 322 1HB ASP 48 2HB ASP 48 0.875 -9.340 -10.057 323 H ARG 49 H ARG 49 1.684 -6.912 -6.525 324 HA ARG 49 HA ARG 49 3.014 -8.826 -4.738 325 1HB ARG 49 2HB ARG 49 3.546 -5.897 -5.249 326 1HG ARG 49 2HG ARG 49 5.220 -8.348 -5.709 327 1HD ARG 49 2HD ARG 49 6.017 -5.445 -5.677 328 HE ARG 49 HE ARG 49 6.885 -6.429 -7.749 329 1HH1 ARG 49 2HH1 ARG 49 8.326 -7.414 -4.702 330 2HH1 ARG 49 1HH1 ARG 49 9.815 -7.919 -5.435 331 1HH2 ARG 49 2HH2 ARG 49 8.847 -7.088 -8.702 332 2HH2 ARG 49 1HH2 ARG 49 10.111 -7.733 -7.711 333 H GLN 50 H GLN 50 1.792 -9.310 -3.051 334 HA GLN 50 HA GLN 50 0.244 -7.175 -1.749 335 1HB GLN 50 2HB GLN 50 0.025 -10.180 -1.380 336 1HG GLN 50 2HG GLN 50 -1.999 -8.467 -2.793 337 1HE2 GLN 50 1HE2 GLN 50 -3.635 -9.654 -3.767 338 2HE2 GLN 50 2HE2 GLN 50 -3.930 -11.312 -3.349 339 H GLY 51 H GLY 51 1.096 -6.333 0.025 340 1HA GLY 51 1HA GLY 51 2.492 -7.818 2.008 341 2HA GLY 51 2HA GLY 51 3.624 -7.010 0.925 342 H PHE 52 H PHE 52 4.289 -5.846 2.862 343 HA PHE 52 HA PHE 52 2.320 -3.934 3.871 344 1HB PHE 52 2HB PHE 52 4.923 -4.964 4.940 345 HD1 PHE 52 1HD PHE 52 2.148 -3.514 6.848 346 HD2 PHE 52 2HD PHE 52 3.936 -7.091 5.400 347 HE1 PHE 52 1HE PHE 52 0.720 -4.836 8.355 348 HE2 PHE 52 2HE PHE 52 2.515 -8.420 6.902 349 HZ PHE 52 HZ PHE 52 0.923 -7.214 8.470 350 H VAL 53 H VAL 53 2.643 -1.783 4.012 351 HA VAL 53 HA VAL 53 5.101 -0.563 2.959 352 HB VAL 53 HB VAL 53 3.819 1.221 1.840 353 1HG1 VAL 53 1HG1 VAL 53 4.636 -0.646 0.518 354 2HG1 VAL 53 2HG1 VAL 53 3.133 -1.520 0.821 355 3HG1 VAL 53 3HG1 VAL 53 3.111 -0.029 -0.121 356 1HG2 VAL 53 1HG2 VAL 53 1.753 1.114 3.089 357 2HG2 VAL 53 2HG2 VAL 53 1.418 0.897 1.370 358 3HG2 VAL 53 3HG2 VAL 53 1.414 -0.496 2.452 359 HA PRO 54 HA PRO 54 4.557 2.123 6.505 360 1HB PRO 54 2HB PRO 54 5.551 4.457 5.477 361 1HG PRO 54 2HG PRO 54 5.839 3.833 3.271 362 1HD PRO 54 2HD PRO 54 5.663 1.637 2.601 363 H ALA 55 H ALA 55 2.779 3.114 7.200 364 HA ALA 55 HA ALA 55 0.623 3.747 5.521 365 1HB ALA 55 1HB ALA 55 0.383 3.094 7.861 366 2HB ALA 55 2HB ALA 55 1.099 4.624 8.364 367 3HB ALA 55 3HB ALA 55 -0.452 4.611 7.524 368 H ALA 56 H ALA 56 3.329 5.651 6.470 369 HA ALA 56 HA ALA 56 2.024 8.199 6.051 370 1HB ALA 56 1HB ALA 56 3.758 7.954 7.759 371 2HB ALA 56 2HB ALA 56 4.935 7.558 6.508 372 3HB ALA 56 3HB ALA 56 4.202 9.163 6.556 373 H TYR 57 H TYR 57 3.112 5.874 4.005 374 HA TYR 57 HA TYR 57 4.223 7.758 2.038 375 1HB TYR 57 2HB TYR 57 4.495 4.799 2.404 376 HD1 TYR 57 1HD TYR 57 7.013 5.282 0.416 377 HD2 TYR 57 2HD TYR 57 5.668 6.893 4.108 378 HE1 TYR 57 1HE TYR 57 9.323 5.868 0.992 379 HE2 TYR 57 2HE TYR 57 7.975 7.488 4.700 380 HH TYR 57 HH TYR 57 10.508 7.472 2.451 381 H VAL 58 H VAL 58 1.459 5.903 2.732 382 HA VAL 58 HA VAL 58 0.466 6.324 -0.001 383 HB VAL 58 HB VAL 58 -1.169 4.533 0.450 384 1HG1 VAL 58 1HG1 VAL 58 0.858 3.949 -0.692 385 2HG1 VAL 58 2HG1 VAL 58 1.736 3.814 0.835 386 3HG1 VAL 58 3HG1 VAL 58 0.462 2.654 0.439 387 1HG2 VAL 58 1HG2 VAL 58 -0.860 3.074 2.411 388 2HG2 VAL 58 2HG2 VAL 58 0.353 4.190 3.038 389 3HG2 VAL 58 3HG2 VAL 58 -1.325 4.712 2.871 390 H LYS 59 H LYS 59 -1.650 7.116 -0.262 391 HA LYS 59 HA LYS 59 -2.621 8.604 2.083 392 1HB LYS 59 2HB LYS 59 -1.997 10.006 0.138 393 1HG LYS 59 2HG LYS 59 -4.943 9.912 0.743 394 1HD LYS 59 2HD LYS 59 -3.356 12.020 -0.712 395 1HE LYS 59 2HE LYS 59 -4.913 13.030 0.875 396 1HZ LYS 59 1HZ LYS 59 -7.019 11.465 -0.529 397 2HZ LYS 59 2HZ LYS 59 -7.292 12.676 0.622 398 3HZ LYS 59 3HZ LYS 59 -6.524 11.241 1.078 399 H LYS 60 H LYS 60 -4.672 8.428 2.728 400 HA LYS 60 HA LYS 60 -6.115 6.070 1.948 401 1HB LYS 60 2HB LYS 60 -6.040 7.194 4.285 402 1HG LYS 60 2HG LYS 60 -8.661 6.842 4.530 403 1HD LYS 60 2HD LYS 60 -6.735 4.593 4.059 404 1HE LYS 60 2HE LYS 60 -8.218 3.398 5.625 405 1HZ LYS 60 1HZ LYS 60 -10.101 3.116 4.180 406 2HZ LYS 60 2HZ LYS 60 -8.690 3.208 3.251 407 3HZ LYS 60 3HZ LYS 60 -9.733 4.539 3.341 408 H LEU 61 H LEU 61 -7.086 6.080 -0.019 409 HA LEU 61 HA LEU 61 -8.331 8.472 -1.066 410 1HB LEU 61 2HB LEU 61 -8.110 5.647 -2.115 411 HG LEU 61 HG LEU 61 -6.017 7.046 -2.360 412 1HD1 LEU 61 1HD1 LEU 61 -6.527 5.180 -3.837 413 2HD1 LEU 61 2HD1 LEU 61 -7.477 6.244 -4.873 414 3HD1 LEU 61 3HD1 LEU 61 -5.738 6.486 -4.721 415 1HD2 LEU 61 1HD2 LEU 61 -6.106 8.770 -4.157 416 2HD2 LEU 61 2HD2 LEU 61 -7.866 8.694 -4.088 417 3HD2 LEU 61 3HD2 LEU 61 -6.948 9.237 -2.682 418 H ASP 62 H ASP 62 -9.508 8.323 1.056 419 HA ASP 62 HA ASP 62 -12.113 7.132 0.779 420 1HB ASP 62 2HB ASP 62 -10.822 5.180 1.543 Start of MODEL 11 1 1H MET 1 1H MET 1 -9.729 -2.457 -7.434 2 2H MET 1 2H MET 1 -11.370 -2.877 -7.407 3 3H MET 1 3H MET 1 -10.909 -1.301 -7.823 4 HA MET 1 HA MET 1 -11.533 -2.532 -9.784 5 1HB MET 1 2HB MET 1 -9.604 -2.040 -11.114 6 1HG MET 1 2HG MET 1 -8.008 -2.147 -8.564 7 1HE MET 1 1HE MET 1 -8.096 -1.176 -12.416 8 2HE MET 1 2HE MET 1 -6.377 -0.891 -12.699 9 3HE MET 1 3HE MET 1 -6.950 -2.511 -12.294 10 H ASP 2 H ASP 2 -10.029 -4.356 -7.484 11 HA ASP 2 HA ASP 2 -9.752 -6.657 -9.271 12 1HB ASP 2 2HB ASP 2 -7.607 -7.253 -8.163 13 H GLU 3 H GLU 3 -11.524 -5.601 -6.977 14 HA GLU 3 HA GLU 3 -11.707 -8.017 -5.457 15 1HB GLU 3 2HB GLU 3 -9.728 -6.419 -4.559 16 1HG GLU 3 2HG GLU 3 -10.630 -8.615 -3.540 17 H THR 4 H THR 4 -13.319 -7.413 -3.454 18 HA THR 4 HA THR 4 -15.650 -6.432 -4.857 19 HB THR 4 HB THR 4 -15.905 -7.166 -1.996 20 HG1 THR 4 1HG THR 4 -14.284 -8.651 -2.680 21 1HG2 THR 4 1HG2 THR 4 -17.837 -6.787 -3.458 22 2HG2 THR 4 2HG2 THR 4 -17.788 -8.451 -2.874 23 3HG2 THR 4 3HG2 THR 4 -17.286 -8.080 -4.523 24 H GLY 5 H GLY 5 -13.678 -4.400 -4.160 25 1HA GLY 5 1HA GLY 5 -14.020 -2.118 -3.730 26 2HA GLY 5 2HA GLY 5 -15.588 -2.520 -3.049 27 H LYS 6 H LYS 6 -13.094 -0.909 -2.221 28 HA LYS 6 HA LYS 6 -13.596 -1.132 0.535 29 1HB LYS 6 2HB LYS 6 -11.641 -2.043 1.438 30 1HG LYS 6 2HG LYS 6 -9.961 -0.947 -0.004 31 1HD LYS 6 2HD LYS 6 -10.803 -1.478 -2.198 32 1HE LYS 6 2HE LYS 6 -11.802 -3.627 -1.842 33 1HZ LYS 6 1HZ LYS 6 -10.620 -5.585 -1.349 34 2HZ LYS 6 2HZ LYS 6 -10.089 -4.441 -0.216 35 3HZ LYS 6 3HZ LYS 6 -9.114 -4.834 -1.542 36 H GLU 7 H GLU 7 -11.191 -0.016 1.504 37 HA GLU 7 HA GLU 7 -11.736 2.675 1.050 38 1HB GLU 7 2HB GLU 7 -9.196 1.437 2.109 39 1HG GLU 7 2HG GLU 7 -10.247 2.492 4.288 40 H LEU 8 H LEU 8 -9.203 0.660 -0.425 41 HA LEU 8 HA LEU 8 -7.613 1.056 -1.990 42 1HB LEU 8 2HB LEU 8 -9.571 3.190 -2.807 43 HG LEU 8 HG LEU 8 -10.259 0.848 -3.300 44 1HD1 LEU 8 1HD1 LEU 8 -9.563 2.532 -5.701 45 2HD1 LEU 8 2HD1 LEU 8 -10.762 1.241 -5.654 46 3HD1 LEU 8 3HD1 LEU 8 -11.004 2.703 -4.698 47 1HD2 LEU 8 1HD2 LEU 8 -9.030 -0.342 -5.095 48 2HD2 LEU 8 2HD2 LEU 8 -7.744 0.860 -4.967 49 3HD2 LEU 8 3HD2 LEU 8 -8.104 -0.196 -3.602 50 H VAL 9 H VAL 9 -5.687 2.146 -2.224 51 HA VAL 9 HA VAL 9 -5.453 4.701 -0.791 52 HB VAL 9 HB VAL 9 -3.109 3.929 -0.097 53 1HG1 VAL 9 1HG1 VAL 9 -4.875 4.318 1.508 54 2HG1 VAL 9 2HG1 VAL 9 -5.534 2.709 1.203 55 3HG1 VAL 9 3HG1 VAL 9 -3.950 2.885 1.957 56 1HG2 VAL 9 1HG2 VAL 9 -2.848 1.520 0.263 57 2HG2 VAL 9 2HG2 VAL 9 -4.369 1.233 -0.583 58 3HG2 VAL 9 3HG2 VAL 9 -2.992 1.913 -1.450 59 H LEU 10 H LEU 10 -3.910 6.101 -1.504 60 HA LEU 10 HA LEU 10 -2.923 5.564 -4.213 61 1HB LEU 10 2HB LEU 10 -4.248 7.411 -4.432 62 HG LEU 10 HG LEU 10 -1.588 8.548 -3.674 63 1HD1 LEU 10 1HD1 LEU 10 -1.720 7.312 -5.758 64 2HD1 LEU 10 2HD1 LEU 10 -3.071 8.316 -6.284 65 3HD1 LEU 10 3HD1 LEU 10 -1.473 9.031 -6.068 66 1HD2 LEU 10 1HD2 LEU 10 -3.989 10.081 -4.656 67 2HD2 LEU 10 2HD2 LEU 10 -3.246 10.216 -3.062 68 3HD2 LEU 10 3HD2 LEU 10 -2.351 10.716 -4.496 69 H ALA 11 H ALA 11 -0.797 5.333 -4.483 70 HA ALA 11 HA ALA 11 1.032 5.655 -2.305 71 1HB ALA 11 1HB ALA 11 1.260 3.882 -4.018 72 2HB ALA 11 2HB ALA 11 1.624 5.123 -5.217 73 3HB ALA 11 3HB ALA 11 2.717 4.866 -3.857 74 H LEU 12 H LEU 12 1.849 7.553 -1.681 75 HA LEU 12 HA LEU 12 1.749 9.852 -3.448 76 1HB LEU 12 2HB LEU 12 2.945 9.691 -0.682 77 HG LEU 12 HG LEU 12 0.532 9.012 -0.608 78 1HD1 LEU 12 1HD1 LEU 12 -0.074 10.594 1.145 79 2HD1 LEU 12 2HD1 LEU 12 1.618 10.112 1.281 80 3HD1 LEU 12 3HD1 LEU 12 1.201 11.687 0.607 81 1HD2 LEU 12 1HD2 LEU 12 -0.259 10.281 -2.533 82 2HD2 LEU 12 2HD2 LEU 12 -1.158 10.724 -1.082 83 3HD2 LEU 12 3HD2 LEU 12 0.104 11.792 -1.698 84 H TYR 13 H TYR 13 4.181 7.818 -1.931 85 HA TYR 13 HA TYR 13 6.251 9.234 -3.475 86 1HB TYR 13 2HB TYR 13 6.829 7.704 -0.942 87 HD1 TYR 13 1HD TYR 13 6.293 8.447 1.220 88 HD2 TYR 13 2HD TYR 13 5.951 11.155 -2.037 89 HE1 TYR 13 1HE TYR 13 5.291 10.112 2.720 90 HE2 TYR 13 2HE TYR 13 4.957 12.831 -0.546 91 HH TYR 13 HH TYR 13 3.775 12.950 1.549 92 H ASP 14 H ASP 14 7.967 7.872 -4.302 93 HA ASP 14 HA ASP 14 6.994 5.278 -5.076 94 1HB ASP 14 2HB ASP 14 9.122 5.147 -6.356 95 H TYR 15 H TYR 15 7.586 3.366 -4.247 96 HA TYR 15 HA TYR 15 9.464 3.481 -1.986 97 1HB TYR 15 2HB TYR 15 7.061 3.480 -1.289 98 HD1 TYR 15 1HD TYR 15 9.034 3.641 0.443 99 HD2 TYR 15 2HD TYR 15 7.161 0.013 -0.742 100 HE1 TYR 15 1HE TYR 15 9.796 2.587 2.511 101 HE2 TYR 15 2HE TYR 15 7.938 -1.066 1.319 102 HH TYR 15 HH TYR 15 9.667 -0.801 3.017 103 H GLN 16 H GLN 16 10.934 1.944 -1.884 104 HA GLN 16 HA GLN 16 10.623 -0.395 -3.635 105 1HB GLN 16 2HB GLN 16 12.877 1.375 -3.093 106 1HG GLN 16 2HG GLN 16 11.890 0.713 -5.344 107 1HE2 GLN 16 1HE2 GLN 16 11.735 -1.829 -3.760 108 2HE2 GLN 16 2HE2 GLN 16 12.197 -3.061 -4.878 109 H GLU 17 H GLU 17 10.159 -2.188 -2.652 110 HA GLU 17 HA GLU 17 10.199 -2.644 0.103 111 1HB GLU 17 2HB GLU 17 9.720 -4.950 -0.437 112 1HG GLU 17 2HG GLU 17 10.814 -4.295 -3.148 113 H LYS 18 H LYS 18 11.671 -3.553 1.489 114 HA LYS 18 HA LYS 18 14.268 -4.321 0.335 115 1HB LYS 18 2HB LYS 18 13.660 -3.089 3.034 116 1HG LYS 18 2HG LYS 18 15.423 -1.960 0.863 117 1HD LYS 18 2HD LYS 18 14.313 -0.819 3.422 118 1HE LYS 18 2HE LYS 18 14.322 0.814 1.555 119 1HZ LYS 18 1HZ LYS 18 16.420 -0.306 0.545 120 2HZ LYS 18 2HZ LYS 18 17.262 0.762 1.560 121 3HZ LYS 18 3HZ LYS 18 16.190 1.362 0.392 122 H SER 19 H SER 19 11.671 -5.773 1.141 123 HA SER 19 HA SER 19 12.904 -8.185 1.979 124 1HB SER 19 2HB SER 19 11.766 -8.448 4.141 125 HG SER 19 HG SER 19 10.964 -5.730 3.844 126 HA PRO 20 HA PRO 20 9.413 -9.793 -0.224 127 1HB PRO 20 2HB PRO 20 8.860 -12.053 1.294 128 1HG PRO 20 2HG PRO 20 10.435 -11.751 2.951 129 1HD PRO 20 2HD PRO 20 12.126 -10.175 2.778 130 H ALA 21 H ALA 21 9.150 -9.017 3.126 131 HA ALA 21 HA ALA 21 6.291 -9.421 3.257 132 1HB ALA 21 1HB ALA 21 6.459 -8.430 5.491 133 2HB ALA 21 2HB ALA 21 7.627 -9.731 5.268 134 3HB ALA 21 3HB ALA 21 8.153 -8.050 5.194 135 H GLU 22 H GLU 22 8.337 -7.092 1.999 136 HA GLU 22 HA GLU 22 6.340 -4.939 2.200 137 1HB GLU 22 2HB GLU 22 9.244 -4.951 1.367 138 1HG GLU 22 2HG GLU 22 7.983 -3.289 3.498 139 H VAL 23 H VAL 23 6.062 -3.638 0.147 140 HA VAL 23 HA VAL 23 6.600 -5.235 -2.266 141 HB VAL 23 HB VAL 23 4.511 -4.793 -3.288 142 1HG1 VAL 23 1HG1 VAL 23 2.894 -5.837 -1.823 143 2HG1 VAL 23 2HG1 VAL 23 4.455 -6.648 -1.749 144 3HG1 VAL 23 3HG1 VAL 23 3.962 -5.567 -0.446 145 1HG2 VAL 23 1HG2 VAL 23 4.294 -2.464 -2.401 146 2HG2 VAL 23 2HG2 VAL 23 2.798 -3.397 -2.457 147 3HG2 VAL 23 3HG2 VAL 23 3.634 -3.176 -0.928 148 H THR 24 H THR 24 7.152 -4.134 -4.060 149 HA THR 24 HA THR 24 8.002 -1.405 -3.822 150 HB THR 24 HB THR 24 7.847 -3.134 -6.304 151 HG1 THR 24 1HG THR 24 9.105 -4.031 -4.488 152 1HG2 THR 24 1HG2 THR 24 9.536 -0.724 -5.636 153 2HG2 THR 24 2HG2 THR 24 8.199 -0.773 -6.783 154 3HG2 THR 24 3HG2 THR 24 9.671 -1.691 -7.103 155 H MET 25 H MET 25 6.885 0.381 -4.422 156 HA MET 25 HA MET 25 4.589 0.065 -6.208 157 1HB MET 25 2HB MET 25 3.120 1.347 -4.813 158 1HG MET 25 2HG MET 25 5.392 1.619 -2.858 159 1HE MET 25 1HE MET 25 4.268 4.402 -1.683 160 2HE MET 25 2HE MET 25 3.505 3.806 -0.209 161 3HE MET 25 3HE MET 25 5.063 3.156 -0.721 162 H LYS 26 H LYS 26 4.376 1.677 -7.641 163 HA LYS 26 HA LYS 26 6.299 3.858 -7.532 164 1HB LYS 26 2HB LYS 26 6.130 2.654 -9.635 165 1HG LYS 26 2HG LYS 26 5.406 4.425 -11.219 166 1HD LYS 26 2HD LYS 26 7.056 6.130 -10.461 167 1HE LYS 26 2HE LYS 26 9.008 4.677 -10.498 168 1HZ LYS 26 1HZ LYS 26 7.538 4.973 -12.534 169 2HZ LYS 26 2HZ LYS 26 6.999 3.387 -12.244 170 3HZ LYS 26 3HZ LYS 26 8.637 3.683 -12.556 171 H LYS 27 H LYS 27 5.726 5.945 -7.125 172 HA LYS 27 HA LYS 27 3.247 6.465 -5.918 173 1HB LYS 27 2HB LYS 27 3.975 8.622 -5.529 174 1HG LYS 27 2HG LYS 27 4.357 9.076 -8.063 175 1HD LYS 27 2HD LYS 27 7.142 8.494 -7.067 176 1HE LYS 27 2HE LYS 27 6.375 9.788 -9.668 177 1HZ LYS 27 1HZ LYS 27 8.685 10.164 -9.908 178 2HZ LYS 27 2HZ LYS 27 8.506 8.524 -9.523 179 3HZ LYS 27 3HZ LYS 27 9.021 9.623 -8.342 180 H GLY 28 H GLY 28 1.470 7.637 -6.568 181 1HA GLY 28 1HA GLY 28 0.123 8.741 -8.185 182 2HA GLY 28 2HA GLY 28 1.223 8.185 -9.441 183 H ASP 29 H ASP 29 1.079 5.482 -7.891 184 HA ASP 29 HA ASP 29 -1.085 4.444 -9.509 185 1HB ASP 29 2HB ASP 29 1.133 3.199 -7.934 186 H ILE 30 H ILE 30 -2.782 3.187 -8.764 187 HA ILE 30 HA ILE 30 -3.667 3.854 -6.045 188 HB ILE 30 HB ILE 30 -5.301 2.614 -8.260 189 1HG1 ILE 30 2HG1 ILE 30 -4.577 4.772 -9.055 190 1HG2 ILE 30 1HG2 ILE 30 -6.097 3.966 -5.695 191 2HG2 ILE 30 2HG2 ILE 30 -7.214 3.403 -6.938 192 3HG2 ILE 30 3HG2 ILE 30 -6.214 2.244 -6.060 193 1HD1 ILE 30 1HD1 ILE 30 -3.904 5.824 -6.973 194 2HD1 ILE 30 2HD1 ILE 30 -5.025 6.842 -7.878 195 3HD1 ILE 30 3HD1 ILE 30 -5.592 5.934 -6.477 196 H LEU 31 H LEU 31 -3.410 2.332 -4.533 197 HA LEU 31 HA LEU 31 -3.073 -0.452 -5.428 198 1HB LEU 31 2HB LEU 31 -2.463 0.276 -2.632 199 HG LEU 31 HG LEU 31 -1.253 2.129 -3.573 200 1HD1 LEU 31 1HD1 LEU 31 0.595 -0.215 -3.164 201 2HD1 LEU 31 2HD1 LEU 31 1.009 1.492 -2.979 202 3HD1 LEU 31 3HD1 LEU 31 -0.145 0.736 -1.874 203 1HD2 LEU 31 1HD2 LEU 31 0.324 1.920 -5.372 204 2HD2 LEU 31 2HD2 LEU 31 0.031 0.184 -5.478 205 3HD2 LEU 31 3HD2 LEU 31 -1.241 1.319 -5.926 206 H THR 32 H THR 32 -4.081 -2.109 -4.192 207 HA THR 32 HA THR 32 -6.635 -1.297 -3.073 208 HB THR 32 HB THR 32 -5.496 -3.963 -3.881 209 HG1 THR 32 1HG THR 32 -6.869 -3.726 -5.506 210 1HG2 THR 32 1HG2 THR 32 -8.041 -3.479 -2.327 211 2HG2 THR 32 2HG2 THR 32 -6.635 -4.399 -1.788 212 3HG2 THR 32 3HG2 THR 32 -7.617 -4.994 -3.126 213 H LEU 33 H LEU 33 -7.016 -1.122 -0.977 214 HA LEU 33 HA LEU 33 -4.916 -1.637 0.894 215 1HB LEU 33 2HB LEU 33 -7.257 -0.010 0.854 216 HG LEU 33 HG LEU 33 -5.289 1.048 1.553 217 1HD1 LEU 33 1HD1 LEU 33 -7.191 1.806 2.814 218 2HD1 LEU 33 2HD1 LEU 33 -6.979 0.504 3.985 219 3HD1 LEU 33 3HD1 LEU 33 -5.770 1.781 3.862 220 1HD2 LEU 33 1HD2 LEU 33 -4.024 -0.950 2.170 221 2HD2 LEU 33 2HD2 LEU 33 -3.913 0.286 3.425 222 3HD2 LEU 33 3HD2 LEU 33 -4.976 -1.103 3.648 223 H LEU 34 H LEU 34 -4.736 -3.206 2.312 224 HA LEU 34 HA LEU 34 -6.796 -5.310 2.352 225 1HB LEU 34 2HB LEU 34 -3.802 -5.473 2.723 226 HG LEU 34 HG LEU 34 -4.439 -5.279 0.347 227 1HD1 LEU 34 1HD1 LEU 34 -3.530 -8.040 1.127 228 2HD1 LEU 34 2HD1 LEU 34 -3.292 -7.268 -0.441 229 3HD1 LEU 34 3HD1 LEU 34 -2.498 -6.617 0.995 230 1HD2 LEU 34 1HD2 LEU 34 -5.702 -7.101 -0.714 231 2HD2 LEU 34 2HD2 LEU 34 -6.052 -7.770 0.880 232 3HD2 LEU 34 3HD2 LEU 34 -6.686 -6.188 0.430 233 H ASN 35 H ASN 35 -4.478 -3.440 4.212 234 HA ASN 35 HA ASN 35 -6.066 -3.827 6.623 235 1HB ASN 35 2HB ASN 35 -4.593 -5.438 7.288 236 1HD2 ASN 35 1HD2 ASN 35 -2.001 -3.112 6.901 237 2HD2 ASN 35 2HD2 ASN 35 -1.806 -2.795 8.587 238 H SER 36 H SER 36 -6.185 -2.008 7.823 239 HA SER 36 HA SER 36 -4.090 0.018 7.511 240 1HB SER 36 2HB SER 36 -5.952 1.759 7.495 241 HG SER 36 HG SER 36 -7.969 1.108 6.932 242 H THR 37 H THR 37 -5.484 -1.959 9.589 243 HA THR 37 HA THR 37 -6.219 -0.113 11.673 244 HB THR 37 HB THR 37 -7.365 -2.271 11.526 245 HG1 THR 37 1HG THR 37 -7.445 -1.561 13.575 246 1HG2 THR 37 1HG2 THR 37 -6.246 -4.363 12.120 247 2HG2 THR 37 2HG2 THR 37 -4.711 -3.509 12.271 248 3HG2 THR 37 3HG2 THR 37 -5.493 -3.637 10.697 249 H ASN 38 H ASN 38 -3.339 -1.634 10.591 250 HA ASN 38 HA ASN 38 -1.885 -1.426 13.057 251 1HB ASN 38 2HB ASN 38 -1.309 -3.033 11.200 252 1HD2 ASN 38 1HD2 ASN 38 1.246 -2.771 10.182 253 2HD2 ASN 38 2HD2 ASN 38 2.360 -2.634 11.509 254 H LYS 39 H LYS 39 -0.384 0.144 13.643 255 HA LYS 39 HA LYS 39 -1.042 2.761 12.613 256 1HB LYS 39 2HB LYS 39 -0.020 3.662 14.544 257 1HG LYS 39 2HG LYS 39 1.262 1.001 15.143 258 1HD LYS 39 2HD LYS 39 1.409 3.685 16.497 259 1HE LYS 39 2HE LYS 39 2.864 2.563 18.117 260 1HZ LYS 39 1HZ LYS 39 3.980 2.231 15.383 261 2HZ LYS 39 2HZ LYS 39 4.835 2.539 16.818 262 3HZ LYS 39 3HZ LYS 39 3.831 3.733 16.161 263 H ASP 40 H ASP 40 1.339 0.507 11.874 264 HA ASP 40 HA ASP 40 3.097 2.647 10.859 265 1HB ASP 40 2HB ASP 40 3.878 -0.041 11.992 266 H TRP 41 H TRP 41 2.819 -0.861 10.381 267 HA TRP 41 HA TRP 41 3.290 -0.441 7.540 268 1HB TRP 41 2HB TRP 41 3.317 -2.923 9.259 269 HD1 TRP 41 HD TRP 41 5.386 -2.346 10.729 270 HE1 TRP 41 1HE TRP 41 7.846 -1.779 10.230 271 HE3 TRP 41 3HE TRP 41 5.059 -1.693 5.664 272 HZ2 TRP 41 2HZ TRP 41 9.434 -1.146 7.986 273 HZ3 TRP 41 3HZ TRP 41 7.098 -1.111 4.420 274 HH2 TRP 41 HH TRP 41 9.238 -0.841 5.557 275 H TRP 42 H TRP 42 1.646 -0.279 6.209 276 HA TRP 42 HA TRP 42 -0.889 -1.595 6.865 277 1HB TRP 42 2HB TRP 42 -0.103 0.581 4.956 278 HD1 TRP 42 HD TRP 42 -0.943 0.071 8.354 279 HE1 TRP 42 1HE TRP 42 -2.318 2.001 9.346 280 HE3 TRP 42 3HE TRP 42 -2.453 2.204 4.032 281 HZ2 TRP 42 2HZ TRP 42 -3.874 4.171 8.382 282 HZ3 TRP 42 3HZ TRP 42 -3.894 4.215 4.110 283 HH2 TRP 42 HH TRP 42 -4.587 5.174 6.249 284 H LYS 43 H LYS 43 -1.962 -2.868 5.228 285 HA LYS 43 HA LYS 43 0.006 -4.325 3.598 286 1HB LYS 43 2HB LYS 43 -1.480 -5.469 5.475 287 1HG LYS 43 2HG LYS 43 -1.263 -6.735 2.753 288 1HD LYS 43 2HD LYS 43 -1.335 -7.956 5.514 289 1HE LYS 43 2HE LYS 43 -1.707 -10.064 4.224 290 1HZ LYS 43 1HZ LYS 43 0.464 -9.738 5.081 291 2HZ LYS 43 2HZ LYS 43 0.877 -8.655 3.847 292 3HZ LYS 43 3HZ LYS 43 0.642 -10.291 3.485 293 H VAL 44 H VAL 44 -0.163 -4.155 1.478 294 HA VAL 44 HA VAL 44 -2.735 -3.352 0.313 295 HB VAL 44 HB VAL 44 -1.572 -1.808 -1.228 296 1HG1 VAL 44 1HG1 VAL 44 -1.198 0.015 0.369 297 2HG1 VAL 44 2HG1 VAL 44 -2.657 -0.902 0.746 298 3HG1 VAL 44 3HG1 VAL 44 -1.188 -1.154 1.690 299 1HG2 VAL 44 1HG2 VAL 44 0.819 -2.235 0.562 300 2HG2 VAL 44 2HG2 VAL 44 0.657 -2.817 -1.097 301 3HG2 VAL 44 3HG2 VAL 44 0.704 -1.085 -0.771 302 H GLU 45 H GLU 45 -2.813 -3.705 -2.021 303 HA GLU 45 HA GLU 45 -0.928 -5.776 -2.919 304 1HB GLU 45 2HB GLU 45 -3.185 -6.687 -2.657 305 1HG GLU 45 2HG GLU 45 -2.432 -6.296 -5.550 306 H VAL 46 H VAL 46 0.293 -5.239 -4.568 307 HA VAL 46 HA VAL 46 -0.630 -3.179 -6.450 308 HB VAL 46 HB VAL 46 2.271 -3.266 -5.889 309 1HG1 VAL 46 1HG1 VAL 46 1.863 -0.735 -6.067 310 2HG1 VAL 46 2HG1 VAL 46 1.679 -1.718 -7.520 311 3HG1 VAL 46 3HG1 VAL 46 0.257 -1.194 -6.628 312 1HG2 VAL 46 1HG2 VAL 46 2.106 -1.717 -3.992 313 2HG2 VAL 46 2HG2 VAL 46 0.358 -1.959 -3.971 314 3HG2 VAL 46 3HG2 VAL 46 1.440 -3.307 -3.616 315 H ASN 47 H ASN 47 -0.287 -3.711 -8.528 316 HA ASN 47 HA ASN 47 -0.135 -5.079 -10.273 317 1HB ASN 47 2HB ASN 47 2.098 -5.978 -10.858 318 1HD2 ASN 47 1HD2 ASN 47 3.390 -3.654 -8.701 319 2HD2 ASN 47 2HD2 ASN 47 4.450 -4.728 -7.852 320 H ASP 48 H ASP 48 1.887 -7.233 -8.317 321 HA ASP 48 HA ASP 48 -0.313 -9.150 -8.210 322 1HB ASP 48 2HB ASP 48 2.451 -9.707 -9.300 323 H ARG 49 H ARG 49 1.715 -7.394 -6.483 324 HA ARG 49 HA ARG 49 2.646 -9.582 -4.764 325 1HB ARG 49 2HB ARG 49 4.278 -8.052 -6.066 326 1HG ARG 49 2HG ARG 49 5.054 -7.713 -3.268 327 1HD ARG 49 2HD ARG 49 7.078 -8.909 -4.096 328 HE ARG 49 HE ARG 49 7.341 -6.590 -4.489 329 1HH1 ARG 49 2HH1 ARG 49 5.790 -8.231 -7.190 330 2HH1 ARG 49 1HH1 ARG 49 6.126 -6.953 -8.314 331 1HH2 ARG 49 2HH2 ARG 49 7.794 -4.941 -5.974 332 2HH2 ARG 49 1HH2 ARG 49 7.250 -5.057 -7.620 333 H GLN 50 H GLN 50 1.394 -9.744 -3.017 334 HA GLN 50 HA GLN 50 0.203 -7.371 -1.797 335 1HB GLN 50 2HB GLN 50 -0.012 -10.264 -0.922 336 1HG GLN 50 2HG GLN 50 -2.342 -10.215 -1.747 337 1HE2 GLN 50 1HE2 GLN 50 -2.511 -9.652 -4.560 338 2HE2 GLN 50 2HE2 GLN 50 -1.438 -10.768 -5.343 339 H GLY 51 H GLY 51 1.030 -6.402 -0.027 340 1HA GLY 51 1HA GLY 51 2.676 -7.753 1.867 341 2HA GLY 51 2HA GLY 51 3.653 -6.829 0.733 342 H PHE 52 H PHE 52 4.283 -5.707 2.731 343 HA PHE 52 HA PHE 52 2.253 -3.841 3.709 344 1HB PHE 52 2HB PHE 52 4.901 -4.733 4.831 345 HD1 PHE 52 1HD PHE 52 1.488 -3.866 6.063 346 HD2 PHE 52 2HD PHE 52 4.596 -6.766 5.847 347 HE1 PHE 52 1HE PHE 52 0.175 -5.381 7.489 348 HE2 PHE 52 2HE PHE 52 3.292 -8.282 7.269 349 HZ PHE 52 HZ PHE 52 1.126 -7.540 8.186 350 H VAL 53 H VAL 53 2.573 -1.683 3.838 351 HA VAL 53 HA VAL 53 5.054 -0.493 2.812 352 HB VAL 53 HB VAL 53 3.776 1.310 1.697 353 1HG1 VAL 53 1HG1 VAL 53 4.641 -0.569 0.393 354 2HG1 VAL 53 2HG1 VAL 53 3.108 -1.409 0.622 355 3HG1 VAL 53 3HG1 VAL 53 3.157 0.093 -0.298 356 1HG2 VAL 53 1HG2 VAL 53 1.683 1.107 2.939 357 2HG2 VAL 53 2HG2 VAL 53 1.404 1.027 1.199 358 3HG2 VAL 53 3HG2 VAL 53 1.371 -0.447 2.164 359 HA PRO 54 HA PRO 54 4.561 2.102 6.420 360 1HB PRO 54 2HB PRO 54 5.581 4.453 5.447 361 1HG PRO 54 2HG PRO 54 5.874 3.866 3.229 362 1HD PRO 54 2HD PRO 54 5.688 1.685 2.516 363 H ALA 55 H ALA 55 2.792 3.086 7.146 364 HA ALA 55 HA ALA 55 0.640 3.819 5.511 365 1HB ALA 55 1HB ALA 55 -0.377 4.706 7.535 366 2HB ALA 55 2HB ALA 55 0.423 3.170 7.867 367 3HB ALA 55 3HB ALA 55 1.186 4.685 8.352 368 H ALA 56 H ALA 56 3.371 5.678 6.636 369 HA ALA 56 HA ALA 56 2.177 8.242 6.085 370 1HB ALA 56 1HB ALA 56 4.355 9.152 6.656 371 2HB ALA 56 2HB ALA 56 3.833 7.970 7.858 372 3HB ALA 56 3HB ALA 56 5.048 7.529 6.657 373 H TYR 57 H TYR 57 3.107 5.919 4.027 374 HA TYR 57 HA TYR 57 4.279 7.793 2.080 375 1HB TYR 57 2HB TYR 57 4.607 4.859 2.492 376 HD1 TYR 57 1HD TYR 57 6.922 5.345 0.222 377 HD2 TYR 57 2HD TYR 57 5.898 6.982 4.009 378 HE1 TYR 57 1HE TYR 57 9.266 5.988 0.570 379 HE2 TYR 57 2HE TYR 57 8.239 7.628 4.371 380 HH TYR 57 HH TYR 57 10.496 6.912 3.562 381 H VAL 58 H VAL 58 1.512 5.925 2.801 382 HA VAL 58 HA VAL 58 0.476 6.402 0.091 383 HB VAL 58 HB VAL 58 -1.176 4.628 0.534 384 1HG1 VAL 58 1HG1 VAL 58 0.417 2.718 0.480 385 2HG1 VAL 58 2HG1 VAL 58 0.843 4.025 -0.629 386 3HG1 VAL 58 3HG1 VAL 58 1.715 3.842 0.894 387 1HG2 VAL 58 1HG2 VAL 58 -1.289 4.795 2.964 388 2HG2 VAL 58 2HG2 VAL 58 -0.896 3.148 2.472 389 3HG2 VAL 58 3HG2 VAL 58 0.369 4.207 3.095 390 H LYS 59 H LYS 59 -1.802 6.977 -0.050 391 HA LYS 59 HA LYS 59 -2.764 8.418 2.336 392 1HB LYS 59 2HB LYS 59 -1.938 9.998 0.646 393 1HG LYS 59 2HG LYS 59 -4.915 9.918 0.996 394 1HD LYS 59 2HD LYS 59 -3.248 12.068 -0.303 395 1HE LYS 59 2HE LYS 59 -4.917 13.062 1.146 396 1HZ LYS 59 1HZ LYS 59 -6.910 11.441 -0.340 397 2HZ LYS 59 2HZ LYS 59 -7.267 12.656 0.784 398 3HZ LYS 59 3HZ LYS 59 -6.492 11.234 1.287 399 H LYS 60 H LYS 60 -4.910 8.237 2.800 400 HA LYS 60 HA LYS 60 -6.455 6.178 1.623 401 1HB LYS 60 2HB LYS 60 -7.311 8.536 3.315 402 1HG LYS 60 2HG LYS 60 -5.883 6.779 4.439 403 1HD LYS 60 2HD LYS 60 -6.660 4.746 3.493 404 1HE LYS 60 2HE LYS 60 -8.884 5.378 2.751 405 1HZ LYS 60 1HZ LYS 60 -9.713 6.747 4.464 406 2HZ LYS 60 2HZ LYS 60 -9.557 5.534 5.633 407 3HZ LYS 60 3HZ LYS 60 -10.727 5.390 4.415 408 H LEU 61 H LEU 61 -7.451 6.193 -0.284 409 HA LEU 61 HA LEU 61 -8.276 8.719 -1.480 410 1HB LEU 61 2HB LEU 61 -8.431 5.851 -2.410 411 HG LEU 61 HG LEU 61 -6.170 7.112 -2.580 412 1HD1 LEU 61 1HD1 LEU 61 -5.766 6.168 -4.800 413 2HD1 LEU 61 2HD1 LEU 61 -6.694 5.057 -3.790 414 3HD1 LEU 61 3HD1 LEU 61 -7.504 5.991 -5.046 415 1HD2 LEU 61 1HD2 LEU 61 -7.745 8.516 -4.744 416 2HD2 LEU 61 2HD2 LEU 61 -7.036 9.263 -3.315 417 3HD2 LEU 61 3HD2 LEU 61 -5.992 8.568 -4.552 418 H ASP 62 H ASP 62 -9.251 7.494 1.008 419 HA ASP 62 HA ASP 62 -12.131 7.567 0.501 420 1HB ASP 62 2HB ASP 62 -11.657 5.234 0.791 Start of MODEL 12 1 1H MET 1 1H MET 1 -12.854 -2.446 -8.822 2 2H MET 1 2H MET 1 -13.214 -2.904 -10.415 3 3H MET 1 3H MET 1 -13.172 -1.258 -9.989 4 HA MET 1 HA MET 1 -11.197 -1.818 -11.190 5 1HB MET 1 2HB MET 1 -11.030 -0.158 -9.396 6 1HG MET 1 2HG MET 1 -8.611 -1.948 -9.341 7 1HE MET 1 1HE MET 1 -6.567 0.343 -10.150 8 2HE MET 1 2HE MET 1 -5.994 0.858 -8.563 9 3HE MET 1 3HE MET 1 -6.233 -0.855 -8.901 10 H ASP 2 H ASP 2 -10.851 -3.448 -8.027 11 HA ASP 2 HA ASP 2 -9.563 -5.689 -9.468 12 1HB ASP 2 2HB ASP 2 -8.079 -6.014 -7.573 13 H GLU 3 H GLU 3 -11.710 -4.664 -6.972 14 HA GLU 3 HA GLU 3 -12.782 -7.357 -6.683 15 1HB GLU 3 2HB GLU 3 -11.826 -5.744 -4.252 16 1HG GLU 3 2HG GLU 3 -10.826 -8.328 -5.425 17 H THR 4 H THR 4 -14.874 -7.108 -5.098 18 HA THR 4 HA THR 4 -16.698 -5.433 -6.229 19 HB THR 4 HB THR 4 -16.926 -5.944 -3.270 20 HG1 THR 4 1HG THR 4 -16.434 -7.974 -3.755 21 1HG2 THR 4 1HG2 THR 4 -19.259 -6.348 -3.868 22 2HG2 THR 4 2HG2 THR 4 -18.875 -6.121 -5.574 23 3HG2 THR 4 3HG2 THR 4 -18.735 -4.768 -4.449 24 H GLY 5 H GLY 5 -14.327 -4.527 -3.804 25 1HA GLY 5 1HA GLY 5 -13.942 -1.987 -4.223 26 2HA GLY 5 2HA GLY 5 -15.564 -1.877 -3.555 27 H LYS 6 H LYS 6 -12.992 -0.824 -2.579 28 HA LYS 6 HA LYS 6 -13.362 -1.449 0.167 29 1HB LYS 6 2HB LYS 6 -11.378 -2.564 0.726 30 1HG LYS 6 2HG LYS 6 -9.751 -1.291 -0.592 31 1HD LYS 6 2HD LYS 6 -10.829 -1.295 -2.774 32 1HE LYS 6 2HE LYS 6 -11.693 -3.674 -2.602 33 1HZ LYS 6 1HZ LYS 6 -9.310 -4.525 -2.158 34 2HZ LYS 6 2HZ LYS 6 -9.163 -4.513 -3.850 35 3HZ LYS 6 3HZ LYS 6 -10.357 -5.452 -3.103 36 H GLU 7 H GLU 7 -10.953 -0.516 1.180 37 HA GLU 7 HA GLU 7 -11.412 2.222 1.122 38 1HB GLU 7 2HB GLU 7 -8.765 0.936 1.773 39 1HG GLU 7 2HG GLU 7 -9.596 1.281 4.176 40 H LEU 8 H LEU 8 -8.958 0.371 -0.677 41 HA LEU 8 HA LEU 8 -7.391 0.941 -2.208 42 1HB LEU 8 2HB LEU 8 -9.451 3.048 -2.844 43 HG LEU 8 HG LEU 8 -10.070 0.676 -3.386 44 1HD1 LEU 8 1HD1 LEU 8 -9.651 2.530 -5.728 45 2HD1 LEU 8 2HD1 LEU 8 -10.777 1.171 -5.668 46 3HD1 LEU 8 3HD1 LEU 8 -11.016 2.563 -4.610 47 1HD2 LEU 8 1HD2 LEU 8 -7.879 -0.214 -3.895 48 2HD2 LEU 8 2HD2 LEU 8 -8.917 -0.365 -5.311 49 3HD2 LEU 8 3HD2 LEU 8 -7.700 0.910 -5.243 50 H VAL 9 H VAL 9 -5.495 2.086 -2.322 51 HA VAL 9 HA VAL 9 -5.390 4.598 -0.798 52 HB VAL 9 HB VAL 9 -2.977 3.912 -0.203 53 1HG1 VAL 9 1HG1 VAL 9 -3.720 2.765 1.840 54 2HG1 VAL 9 2HG1 VAL 9 -4.705 4.180 1.471 55 3HG1 VAL 9 3HG1 VAL 9 -5.321 2.564 1.127 56 1HG2 VAL 9 1HG2 VAL 9 -4.164 1.195 -0.745 57 2HG2 VAL 9 2HG2 VAL 9 -2.828 1.949 -1.616 58 3HG2 VAL 9 3HG2 VAL 9 -2.634 1.500 0.078 59 H LEU 10 H LEU 10 -3.935 6.112 -1.458 60 HA LEU 10 HA LEU 10 -3.005 5.790 -4.217 61 1HB LEU 10 2HB LEU 10 -4.365 7.626 -4.238 62 HG LEU 10 HG LEU 10 -1.705 8.770 -3.494 63 1HD1 LEU 10 1HD1 LEU 10 -1.885 7.652 -5.647 64 2HD1 LEU 10 2HD1 LEU 10 -3.253 8.681 -6.069 65 3HD1 LEU 10 3HD1 LEU 10 -1.654 9.388 -5.848 66 1HD2 LEU 10 1HD2 LEU 10 -2.555 10.965 -4.153 67 2HD2 LEU 10 2HD2 LEU 10 -4.178 10.289 -4.303 68 3HD2 LEU 10 3HD2 LEU 10 -3.391 10.350 -2.727 69 H ALA 11 H ALA 11 -0.901 5.455 -4.500 70 HA ALA 11 HA ALA 11 0.969 5.669 -2.352 71 1HB ALA 11 1HB ALA 11 1.529 5.231 -5.287 72 2HB ALA 11 2HB ALA 11 2.608 4.872 -3.939 73 3HB ALA 11 3HB ALA 11 1.115 3.951 -4.146 74 H LEU 12 H LEU 12 1.871 7.504 -1.679 75 HA LEU 12 HA LEU 12 1.815 9.862 -3.378 76 1HB LEU 12 2HB LEU 12 2.952 9.631 -0.593 77 HG LEU 12 HG LEU 12 0.551 8.934 -0.557 78 1HD1 LEU 12 1HD1 LEU 12 -0.114 10.506 1.186 79 2HD1 LEU 12 2HD1 LEU 12 1.582 10.050 1.353 80 3HD1 LEU 12 3HD1 LEU 12 1.153 11.621 0.675 81 1HD2 LEU 12 1HD2 LEU 12 -1.157 10.612 -1.068 82 2HD2 LEU 12 2HD2 LEU 12 0.094 11.712 -1.648 83 3HD2 LEU 12 3HD2 LEU 12 -0.213 10.198 -2.499 84 H TYR 13 H TYR 13 4.170 7.747 -1.851 85 HA TYR 13 HA TYR 13 6.295 9.116 -3.360 86 1HB TYR 13 2HB TYR 13 6.778 7.715 -0.733 87 HD1 TYR 13 1HD TYR 13 6.300 8.652 1.386 88 HD2 TYR 13 2HD TYR 13 5.930 11.075 -2.086 89 HE1 TYR 13 1HE TYR 13 5.325 10.436 2.748 90 HE2 TYR 13 2HE TYR 13 4.961 12.877 -0.724 91 HH TYR 13 HH TYR 13 3.793 13.167 1.403 92 H ASP 14 H ASP 14 7.937 7.760 -4.217 93 HA ASP 14 HA ASP 14 6.945 5.146 -4.888 94 1HB ASP 14 2HB ASP 14 8.986 4.985 -6.302 95 H TYR 15 H TYR 15 7.765 3.196 -4.286 96 HA TYR 15 HA TYR 15 9.611 3.285 -2.001 97 1HB TYR 15 2HB TYR 15 7.217 3.337 -1.268 98 HD1 TYR 15 1HD TYR 15 9.207 3.398 0.487 99 HD2 TYR 15 2HD TYR 15 7.200 -0.120 -0.803 100 HE1 TYR 15 1HE TYR 15 9.908 2.249 2.537 101 HE2 TYR 15 2HE TYR 15 7.908 -1.283 1.227 102 HH TYR 15 HH TYR 15 9.227 0.353 3.928 103 H GLN 16 H GLN 16 11.086 1.730 -1.987 104 HA GLN 16 HA GLN 16 10.615 -0.630 -3.689 105 1HB GLN 16 2HB GLN 16 13.040 0.970 -3.173 106 1HG GLN 16 2HG GLN 16 12.007 0.749 -5.430 107 1HE2 GLN 16 1HE2 GLN 16 11.163 -1.806 -4.183 108 2HE2 GLN 16 2HE2 GLN 16 11.278 -2.979 -5.453 109 H GLU 17 H GLU 17 10.075 -2.352 -2.637 110 HA GLU 17 HA GLU 17 10.058 -2.701 0.100 111 1HB GLU 17 2HB GLU 17 9.544 -5.014 -0.353 112 1HG GLU 17 2HG GLU 17 10.620 -4.503 -3.105 113 H LYS 18 H LYS 18 11.479 -3.315 1.589 114 HA LYS 18 HA LYS 18 14.190 -3.992 0.745 115 1HB LYS 18 2HB LYS 18 13.090 -3.513 3.528 116 1HG LYS 18 2HG LYS 18 14.673 -1.646 1.775 117 1HD LYS 18 2HD LYS 18 13.409 -1.183 4.470 118 1HE LYS 18 2HE LYS 18 13.583 0.790 2.996 119 1HZ LYS 18 1HZ LYS 18 15.528 0.160 1.713 120 2HZ LYS 18 2HZ LYS 18 16.499 0.229 3.098 121 3HZ LYS 18 3HZ LYS 18 15.795 1.646 2.487 122 H SER 19 H SER 19 11.374 -5.583 1.568 123 HA SER 19 HA SER 19 12.756 -8.114 1.818 124 1HB SER 19 2HB SER 19 11.632 -8.734 3.920 125 HG SER 19 HG SER 19 10.733 -6.043 4.077 126 HA PRO 20 HA PRO 20 9.248 -9.469 -0.562 127 1HB PRO 20 2HB PRO 20 8.766 -11.958 0.521 128 1HG PRO 20 2HG PRO 20 10.275 -11.873 2.274 129 1HD PRO 20 2HD PRO 20 11.949 -10.270 2.384 130 H ALA 21 H ALA 21 9.012 -9.027 2.806 131 HA ALA 21 HA ALA 21 6.151 -9.515 2.919 132 1HB ALA 21 1HB ALA 21 6.321 -8.756 5.242 133 2HB ALA 21 2HB ALA 21 7.495 -10.025 4.887 134 3HB ALA 21 3HB ALA 21 8.016 -8.342 4.981 135 H GLU 22 H GLU 22 8.171 -7.145 1.832 136 HA GLU 22 HA GLU 22 6.203 -4.990 2.200 137 1HB GLU 22 2HB GLU 22 9.116 -4.993 1.401 138 1HG GLU 22 2HG GLU 22 7.887 -3.340 3.548 139 H VAL 23 H VAL 23 6.067 -3.545 0.118 140 HA VAL 23 HA VAL 23 6.401 -5.248 -2.264 141 HB VAL 23 HB VAL 23 4.326 -4.820 -3.172 142 1HG1 VAL 23 1HG1 VAL 23 3.838 -4.957 -0.224 143 2HG1 VAL 23 2HG1 VAL 23 2.646 -5.299 -1.476 144 3HG1 VAL 23 3HG1 VAL 23 4.081 -6.312 -1.327 145 1HG2 VAL 23 1HG2 VAL 23 3.940 -2.569 -1.228 146 2HG2 VAL 23 2HG2 VAL 23 4.327 -2.403 -2.935 147 3HG2 VAL 23 3HG2 VAL 23 2.778 -3.084 -2.444 148 H THR 24 H THR 24 6.948 -4.284 -4.130 149 HA THR 24 HA THR 24 8.023 -1.627 -4.098 150 HB THR 24 HB THR 24 7.597 -3.485 -6.448 151 HG1 THR 24 1HG THR 24 8.860 -4.424 -4.711 152 1HG2 THR 24 1HG2 THR 24 8.099 -1.155 -7.048 153 2HG2 THR 24 2HG2 THR 24 9.432 -2.235 -7.463 154 3HG2 THR 24 3HG2 THR 24 9.538 -1.212 -6.030 155 H MET 25 H MET 25 6.945 0.217 -4.631 156 HA MET 25 HA MET 25 4.599 0.018 -6.372 157 1HB MET 25 2HB MET 25 3.187 1.296 -4.924 158 1HG MET 25 2HG MET 25 5.483 1.460 -2.980 159 1HE MET 25 1HE MET 25 4.436 4.310 -1.849 160 2HE MET 25 2HE MET 25 3.619 3.780 -0.380 161 3HE MET 25 3HE MET 25 5.169 3.073 -0.829 162 H LYS 26 H LYS 26 4.017 1.917 -7.441 163 HA LYS 26 HA LYS 26 6.121 3.971 -7.508 164 1HB LYS 26 2HB LYS 26 5.925 2.794 -9.614 165 1HG LYS 26 2HG LYS 26 5.109 4.558 -11.172 166 1HD LYS 26 2HD LYS 26 6.757 6.288 -10.455 167 1HE LYS 26 2HE LYS 26 8.720 4.834 -10.550 168 1HZ LYS 26 1HZ LYS 26 6.559 3.771 -12.288 169 2HZ LYS 26 2HZ LYS 26 8.218 3.711 -12.590 170 3HZ LYS 26 3HZ LYS 26 7.412 5.202 -12.588 171 H LYS 27 H LYS 27 5.575 6.008 -6.968 172 HA LYS 27 HA LYS 27 3.077 6.611 -5.866 173 1HB LYS 27 2HB LYS 27 3.841 8.776 -5.494 174 1HG LYS 27 2HG LYS 27 4.414 9.192 -7.964 175 1HD LYS 27 2HD LYS 27 6.929 7.990 -6.932 176 1HE LYS 27 2HE LYS 27 7.000 10.009 -9.142 177 1HZ LYS 27 1HZ LYS 27 9.350 9.946 -8.713 178 2HZ LYS 27 2HZ LYS 27 8.796 8.359 -8.937 179 3HZ LYS 27 3HZ LYS 27 9.127 8.925 -7.376 180 H GLY 28 H GLY 28 1.383 7.879 -6.566 181 1HA GLY 28 1HA GLY 28 0.056 8.924 -8.217 182 2HA GLY 28 2HA GLY 28 1.200 8.393 -9.441 183 H ASP 29 H ASP 29 0.902 5.720 -7.706 184 HA ASP 29 HA ASP 29 -1.171 4.663 -9.487 185 1HB ASP 29 2HB ASP 29 0.944 3.408 -9.335 186 H ILE 30 H ILE 30 -2.597 3.027 -8.579 187 HA ILE 30 HA ILE 30 -3.700 3.941 -5.985 188 HB ILE 30 HB ILE 30 -5.282 2.847 -8.320 189 1HG1 ILE 30 2HG1 ILE 30 -4.424 5.050 -8.901 190 1HG2 ILE 30 1HG2 ILE 30 -6.180 4.089 -5.722 191 2HG2 ILE 30 2HG2 ILE 30 -7.240 3.576 -7.037 192 3HG2 ILE 30 3HG2 ILE 30 -6.286 2.381 -6.153 193 1HD1 ILE 30 1HD1 ILE 30 -5.700 6.066 -6.378 194 2HD1 ILE 30 2HD1 ILE 30 -3.967 5.944 -6.675 195 3HD1 ILE 30 3HD1 ILE 30 -4.953 7.041 -7.641 196 H LEU 31 H LEU 31 -3.181 2.377 -4.561 197 HA LEU 31 HA LEU 31 -2.972 -0.367 -5.555 198 1HB LEU 31 2HB LEU 31 -2.253 0.307 -2.758 199 HG LEU 31 HG LEU 31 -0.996 2.099 -3.708 200 1HD1 LEU 31 1HD1 LEU 31 0.143 0.569 -2.150 201 2HD1 LEU 31 2HD1 LEU 31 0.761 -0.335 -3.536 202 3HD1 LEU 31 3HD1 LEU 31 1.257 1.341 -3.284 203 1HD2 LEU 31 1HD2 LEU 31 0.536 1.803 -5.583 204 2HD2 LEU 31 2HD2 LEU 31 -0.055 0.158 -5.811 205 3HD2 LEU 31 3HD2 LEU 31 -1.136 1.526 -6.076 206 H THR 32 H THR 32 -3.809 -2.099 -4.294 207 HA THR 32 HA THR 32 -6.435 -1.567 -3.237 208 HB THR 32 HB THR 32 -4.860 -4.129 -3.555 209 HG1 THR 32 1HG THR 32 -6.927 -4.169 -5.108 210 1HG2 THR 32 1HG2 THR 32 -6.481 -4.324 -1.730 211 2HG2 THR 32 2HG2 THR 32 -6.960 -5.294 -3.125 212 3HG2 THR 32 3HG2 THR 32 -7.753 -3.750 -2.809 213 H LEU 33 H LEU 33 -6.929 -1.325 -1.103 214 HA LEU 33 HA LEU 33 -4.811 -1.627 0.829 215 1HB LEU 33 2HB LEU 33 -7.103 0.011 0.666 216 HG LEU 33 HG LEU 33 -5.232 1.057 1.551 217 1HD1 LEU 33 1HD1 LEU 33 -7.018 0.393 3.882 218 2HD1 LEU 33 2HD1 LEU 33 -5.795 1.661 3.884 219 3HD1 LEU 33 3HD1 LEU 33 -7.165 1.763 2.782 220 1HD2 LEU 33 1HD2 LEU 33 -3.939 0.223 3.462 221 2HD2 LEU 33 2HD2 LEU 33 -4.969 -1.208 3.522 222 3HD2 LEU 33 3HD2 LEU 33 -3.945 -0.918 2.115 223 H LEU 34 H LEU 34 -4.563 -3.229 2.196 224 HA LEU 34 HA LEU 34 -6.624 -5.332 2.322 225 1HB LEU 34 2HB LEU 34 -3.618 -5.477 2.553 226 HG LEU 34 HG LEU 34 -4.389 -5.355 0.219 227 1HD1 LEU 34 1HD1 LEU 34 -2.412 -6.682 0.794 228 2HD1 LEU 34 2HD1 LEU 34 -3.435 -8.102 1.000 229 3HD1 LEU 34 3HD1 LEU 34 -3.278 -7.353 -0.587 230 1HD2 LEU 34 1HD2 LEU 34 -5.702 -7.254 -0.691 231 2HD2 LEU 34 2HD2 LEU 34 -6.007 -7.783 0.964 232 3HD2 LEU 34 3HD2 LEU 34 -6.616 -6.223 0.408 233 H ASN 35 H ASN 35 -4.515 -3.242 4.123 234 HA ASN 35 HA ASN 35 -5.930 -3.835 6.577 235 1HB ASN 35 2HB ASN 35 -4.383 -5.419 7.122 236 1HD2 ASN 35 1HD2 ASN 35 -1.927 -2.925 6.822 237 2HD2 ASN 35 2HD2 ASN 35 -1.701 -2.712 8.521 238 H SER 36 H SER 36 -6.126 -2.058 7.790 239 HA SER 36 HA SER 36 -4.109 0.053 7.580 240 1HB SER 36 2HB SER 36 -6.047 1.731 7.531 241 HG SER 36 HG SER 36 -7.405 -0.581 6.567 242 H THR 37 H THR 37 -5.533 -2.023 9.517 243 HA THR 37 HA THR 37 -6.376 -0.330 11.677 244 HB THR 37 HB THR 37 -7.389 -2.542 11.382 245 HG1 THR 37 1HG THR 37 -6.266 -1.647 13.698 246 1HG2 THR 37 1HG2 THR 37 -4.675 -3.645 12.121 247 2HG2 THR 37 2HG2 THR 37 -5.415 -3.730 10.522 248 3HG2 THR 37 3HG2 THR 37 -6.148 -4.585 11.881 249 H ASN 38 H ASN 38 -3.397 -1.427 10.508 250 HA ASN 38 HA ASN 38 -2.016 -1.215 13.061 251 1HB ASN 38 2HB ASN 38 -1.386 -2.938 11.317 252 1HD2 ASN 38 1HD2 ASN 38 1.211 -2.674 10.338 253 2HD2 ASN 38 2HD2 ASN 38 2.277 -2.481 11.696 254 H LYS 39 H LYS 39 -0.644 0.484 13.608 255 HA LYS 39 HA LYS 39 -1.346 2.970 12.330 256 1HB LYS 39 2HB LYS 39 -0.469 4.054 14.200 257 1HG LYS 39 2HG LYS 39 1.241 1.653 14.819 258 1HD LYS 39 2HD LYS 39 0.753 4.252 16.241 259 1HE LYS 39 2HE LYS 39 3.136 4.114 16.087 260 1HZ LYS 39 1HZ LYS 39 4.295 2.114 16.961 261 2HZ LYS 39 2HZ LYS 39 3.523 1.880 15.472 262 3HZ LYS 39 3HZ LYS 39 2.819 1.279 16.898 263 H ASP 40 H ASP 40 1.149 0.729 11.883 264 HA ASP 40 HA ASP 40 2.892 2.824 10.753 265 1HB ASP 40 2HB ASP 40 3.603 0.257 12.144 266 H TRP 41 H TRP 41 2.661 -0.702 10.454 267 HA TRP 41 HA TRP 41 3.262 -0.412 7.622 268 1HB TRP 41 2HB TRP 41 3.299 -2.788 9.478 269 HD1 TRP 41 HD TRP 41 5.313 -1.977 10.938 270 HE1 TRP 41 1HE TRP 41 7.776 -1.412 10.433 271 HE3 TRP 41 3HE TRP 41 5.081 -1.859 5.831 272 HZ2 TRP 41 2HZ TRP 41 9.396 -0.972 8.167 273 HZ3 TRP 41 3HZ TRP 41 7.133 -1.359 4.570 274 HH2 TRP 41 HH TRP 41 9.245 -0.925 5.717 275 H TRP 42 H TRP 42 1.590 -0.130 6.372 276 HA TRP 42 HA TRP 42 -0.920 -1.512 6.885 277 1HB TRP 42 2HB TRP 42 -0.063 0.546 4.862 278 HD1 TRP 42 HD TRP 42 -0.977 0.267 8.329 279 HE1 TRP 42 1HE TRP 42 -2.129 2.405 9.173 280 HE3 TRP 42 3HE TRP 42 -2.120 2.322 3.852 281 HZ2 TRP 42 2HZ TRP 42 -3.367 4.694 8.051 282 HZ3 TRP 42 3HZ TRP 42 -3.280 4.500 3.788 283 HH2 TRP 42 HH TRP 42 -3.890 5.662 5.854 284 H LYS 43 H LYS 43 -1.939 -2.687 5.067 285 HA LYS 43 HA LYS 43 0.118 -4.166 3.566 286 1HB LYS 43 2HB LYS 43 -1.327 -5.373 5.401 287 1HG LYS 43 2HG LYS 43 -1.131 -6.565 2.640 288 1HD LYS 43 2HD LYS 43 -1.278 -7.857 5.367 289 1HE LYS 43 2HE LYS 43 -1.620 -9.944 3.990 290 1HZ LYS 43 1HZ LYS 43 0.523 -9.346 5.074 291 2HZ LYS 43 2HZ LYS 43 1.051 -8.725 3.583 292 3HZ LYS 43 3HZ LYS 43 0.672 -10.365 3.730 293 H VAL 44 H VAL 44 -0.009 -3.991 1.454 294 HA VAL 44 HA VAL 44 -2.563 -3.185 0.253 295 HB VAL 44 HB VAL 44 -1.309 -1.690 -1.305 296 1HG1 VAL 44 1HG1 VAL 44 -2.515 -0.721 0.546 297 2HG1 VAL 44 2HG1 VAL 44 -1.157 -1.015 1.634 298 3HG1 VAL 44 3HG1 VAL 44 -0.999 0.151 0.319 299 1HG2 VAL 44 1HG2 VAL 44 0.961 -2.044 0.650 300 2HG2 VAL 44 2HG2 VAL 44 0.900 -2.737 -0.972 301 3HG2 VAL 44 3HG2 VAL 44 0.936 -0.985 -0.763 302 H GLU 45 H GLU 45 -2.526 -3.489 -2.132 303 HA GLU 45 HA GLU 45 -0.775 -5.698 -2.947 304 1HB GLU 45 2HB GLU 45 -3.063 -6.532 -2.325 305 1HG GLU 45 2HG GLU 45 -2.282 -6.787 -5.220 306 H VAL 46 H VAL 46 0.360 -5.102 -4.609 307 HA VAL 46 HA VAL 46 -0.835 -3.284 -6.605 308 HB VAL 46 HB VAL 46 2.100 -3.419 -6.479 309 1HG1 VAL 46 1HG1 VAL 46 1.709 -0.880 -6.649 310 2HG1 VAL 46 2HG1 VAL 46 1.269 -1.900 -8.022 311 3HG1 VAL 46 3HG1 VAL 46 0.026 -1.316 -6.919 312 1HG2 VAL 46 1HG2 VAL 46 1.653 -3.423 -4.109 313 2HG2 VAL 46 2HG2 VAL 46 2.290 -1.853 -4.600 314 3HG2 VAL 46 3HG2 VAL 46 0.564 -2.045 -4.285 315 H ASN 47 H ASN 47 -1.160 -4.316 -8.439 316 HA ASN 47 HA ASN 47 -1.203 -5.906 -10.006 317 1HB ASN 47 2HB ASN 47 1.014 -6.470 -11.099 318 1HD2 ASN 47 1HD2 ASN 47 2.840 -7.214 -9.789 319 2HD2 ASN 47 2HD2 ASN 47 3.964 -6.082 -9.068 320 H ASP 48 H ASP 48 1.678 -7.182 -8.293 321 HA ASP 48 HA ASP 48 0.109 -9.531 -7.604 322 1HB ASP 48 2HB ASP 48 1.894 -11.053 -8.460 323 H ARG 49 H ARG 49 1.629 -7.202 -6.341 324 HA ARG 49 HA ARG 49 3.156 -8.862 -4.445 325 1HB ARG 49 2HB ARG 49 3.603 -5.964 -5.186 326 1HG ARG 49 2HG ARG 49 5.321 -8.394 -5.575 327 1HD ARG 49 2HD ARG 49 6.011 -5.470 -5.747 328 HE ARG 49 HE ARG 49 6.826 -6.535 -7.801 329 1HH1 ARG 49 2HH1 ARG 49 8.458 -7.264 -4.796 330 2HH1 ARG 49 1HH1 ARG 49 9.908 -7.827 -5.576 331 1HH2 ARG 49 2HH2 ARG 49 8.739 -7.235 -8.826 332 2HH2 ARG 49 1HH2 ARG 49 10.085 -7.767 -7.865 333 H GLN 50 H GLN 50 1.408 -9.279 -3.075 334 HA GLN 50 HA GLN 50 0.240 -7.015 -1.716 335 1HB GLN 50 2HB GLN 50 -0.724 -9.003 -0.334 336 1HG GLN 50 2HG GLN 50 0.646 -10.702 -1.579 337 1HE2 GLN 50 1HE2 GLN 50 -2.483 -10.833 -3.098 338 2HE2 GLN 50 2HE2 GLN 50 -1.899 -10.970 -4.720 339 H GLY 51 H GLY 51 1.027 -6.230 0.115 340 1HA GLY 51 1HA GLY 51 2.511 -7.704 2.028 341 2HA GLY 51 2HA GLY 51 3.602 -6.867 0.927 342 H PHE 52 H PHE 52 4.312 -5.673 2.818 343 HA PHE 52 HA PHE 52 2.330 -3.775 3.832 344 1HB PHE 52 2HB PHE 52 4.954 -4.742 4.946 345 HD1 PHE 52 1HD PHE 52 1.532 -3.804 6.134 346 HD2 PHE 52 2HD PHE 52 4.629 -6.724 6.031 347 HE1 PHE 52 1HE PHE 52 0.215 -5.243 7.619 348 HE2 PHE 52 2HE PHE 52 3.311 -8.166 7.526 349 HZ PHE 52 HZ PHE 52 1.104 -7.416 8.328 350 H VAL 53 H VAL 53 2.693 -1.636 3.990 351 HA VAL 53 HA VAL 53 5.184 -0.474 2.949 352 HB VAL 53 HB VAL 53 3.898 1.368 1.878 353 1HG1 VAL 53 1HG1 VAL 53 3.338 -1.371 0.785 354 2HG1 VAL 53 2HG1 VAL 53 3.228 0.136 -0.130 355 3HG1 VAL 53 3HG1 VAL 53 4.787 -0.403 0.501 356 1HG2 VAL 53 1HG2 VAL 53 1.523 1.005 1.332 357 2HG2 VAL 53 2HG2 VAL 53 1.522 -0.420 2.372 358 3HG2 VAL 53 3HG2 VAL 53 1.804 1.178 3.064 359 HA PRO 54 HA PRO 54 4.721 2.179 6.536 360 1HB PRO 54 2HB PRO 54 5.725 4.522 5.534 361 1HG PRO 54 2HG PRO 54 5.962 3.924 3.312 362 1HD PRO 54 2HD PRO 54 5.792 1.738 2.615 363 H ALA 55 H ALA 55 2.935 3.140 7.249 364 HA ALA 55 HA ALA 55 0.762 3.835 5.672 365 1HB ALA 55 1HB ALA 55 1.402 4.863 8.432 366 2HB ALA 55 2HB ALA 55 -0.187 4.834 7.671 367 3HB ALA 55 3HB ALA 55 0.626 3.321 8.068 368 H ALA 56 H ALA 56 3.483 5.775 6.652 369 HA ALA 56 HA ALA 56 2.251 8.291 6.033 370 1HB ALA 56 1HB ALA 56 5.150 7.643 6.536 371 2HB ALA 56 2HB ALA 56 4.420 9.249 6.532 372 3HB ALA 56 3HB ALA 56 3.967 8.077 7.770 373 H TYR 57 H TYR 57 3.189 5.907 4.027 374 HA TYR 57 HA TYR 57 4.313 7.748 2.024 375 1HB TYR 57 2HB TYR 57 4.739 4.843 2.532 376 HD1 TYR 57 1HD TYR 57 7.035 5.102 0.337 377 HD2 TYR 57 2HD TYR 57 5.970 7.281 3.832 378 HE1 TYR 57 1HE TYR 57 9.362 5.855 0.568 379 HE2 TYR 57 2HE TYR 57 8.293 8.041 4.072 380 HH TYR 57 HH TYR 57 10.526 7.412 3.386 381 H VAL 58 H VAL 58 1.579 5.844 2.789 382 HA VAL 58 HA VAL 58 0.500 6.355 0.102 383 HB VAL 58 HB VAL 58 -1.050 4.468 0.474 384 1HG1 VAL 58 1HG1 VAL 58 1.870 3.789 0.747 385 2HG1 VAL 58 2HG1 VAL 58 0.615 2.682 0.188 386 3HG1 VAL 58 3HG1 VAL 58 1.013 4.118 -0.760 387 1HG2 VAL 58 1HG2 VAL 58 -0.640 2.893 2.296 388 2HG2 VAL 58 2HG2 VAL 58 0.619 3.949 2.936 389 3HG2 VAL 58 3HG2 VAL 58 -1.062 4.486 2.924 390 H LYS 59 H LYS 59 -1.715 6.955 -0.033 391 HA LYS 59 HA LYS 59 -2.687 8.290 2.406 392 1HB LYS 59 2HB LYS 59 -1.935 9.880 0.737 393 1HG LYS 59 2HG LYS 59 -3.867 11.223 0.411 394 1HD LYS 59 2HD LYS 59 -4.178 9.703 2.989 395 1HE LYS 59 2HE LYS 59 -6.040 11.255 2.392 396 1HZ LYS 59 1HZ LYS 59 -4.793 12.908 1.173 397 2HZ LYS 59 2HZ LYS 59 -3.902 13.311 2.557 398 3HZ LYS 59 3HZ LYS 59 -5.570 13.630 2.495 399 H LYS 60 H LYS 60 -4.754 8.009 3.002 400 HA LYS 60 HA LYS 60 -6.299 5.878 1.948 401 1HB LYS 60 2HB LYS 60 -7.153 8.155 3.752 402 1HG LYS 60 2HG LYS 60 -5.359 6.568 4.652 403 1HD LYS 60 2HD LYS 60 -6.263 4.463 3.877 404 1HE LYS 60 2HE LYS 60 -8.700 5.370 5.355 405 1HZ LYS 60 1HZ LYS 60 -8.071 3.292 6.426 406 2HZ LYS 60 2HZ LYS 60 -8.032 2.515 4.922 407 3HZ LYS 60 3HZ LYS 60 -9.497 3.120 5.522 408 H LEU 61 H LEU 61 -7.267 5.969 -0.000 409 HA LEU 61 HA LEU 61 -8.401 8.472 -0.950 410 1HB LEU 61 2HB LEU 61 -8.289 5.695 -2.121 411 HG LEU 61 HG LEU 61 -6.170 7.101 -2.290 412 1HD1 LEU 61 1HD1 LEU 61 -5.860 6.561 -4.659 413 2HD1 LEU 61 2HD1 LEU 61 -6.655 5.243 -3.798 414 3HD1 LEU 61 3HD1 LEU 61 -7.598 6.315 -4.833 415 1HD2 LEU 61 1HD2 LEU 61 -7.102 9.290 -2.600 416 2HD2 LEU 61 2HD2 LEU 61 -6.240 8.845 -4.067 417 3HD2 LEU 61 3HD2 LEU 61 -8.000 8.762 -4.022 418 H ASP 62 H ASP 62 -9.256 6.562 1.346 419 HA ASP 62 HA ASP 62 -12.097 6.332 0.691 420 1HB ASP 62 2HB ASP 62 -11.029 4.303 1.561 Start of MODEL 13 1 1H MET 1 1H MET 1 -14.697 -4.083 -1.215 2 2H MET 1 2H MET 1 -16.240 -4.337 -1.861 3 3H MET 1 3H MET 1 -14.876 -4.482 -2.853 4 HA MET 1 HA MET 1 -15.452 -6.176 -0.513 5 1HB MET 1 2HB MET 1 -16.051 -7.959 -2.114 6 1HG MET 1 2HG MET 1 -14.967 -7.173 -4.149 7 1HE MET 1 1HE MET 1 -16.112 -4.531 -6.859 8 2HE MET 1 2HE MET 1 -15.053 -5.902 -6.530 9 3HE MET 1 3HE MET 1 -16.796 -6.143 -6.644 10 H ASP 2 H ASP 2 -13.933 -7.168 -3.581 11 HA ASP 2 HA ASP 2 -11.625 -7.906 -1.899 12 1HB ASP 2 2HB ASP 2 -11.214 -9.795 -3.365 13 H GLU 3 H GLU 3 -12.420 -7.001 -5.262 14 HA GLU 3 HA GLU 3 -9.947 -5.452 -5.332 15 1HB GLU 3 2HB GLU 3 -9.567 -7.855 -6.193 16 1HG GLU 3 2HG GLU 3 -8.281 -5.656 -6.945 17 H THR 4 H THR 4 -9.942 -4.063 -7.414 18 HA THR 4 HA THR 4 -10.967 -2.559 -8.851 19 HB THR 4 HB THR 4 -13.418 -4.331 -8.679 20 HG1 THR 4 1HG THR 4 -10.984 -4.855 -9.665 21 1HG2 THR 4 1HG2 THR 4 -13.848 -2.130 -9.659 22 2HG2 THR 4 2HG2 THR 4 -13.913 -3.390 -10.891 23 3HG2 THR 4 3HG2 THR 4 -12.493 -2.352 -10.766 24 H GLY 5 H GLY 5 -12.733 -3.430 -5.905 25 1HA GLY 5 1HA GLY 5 -13.466 -0.609 -5.647 26 2HA GLY 5 2HA GLY 5 -14.759 -1.797 -5.597 27 H LYS 6 H LYS 6 -13.024 0.108 -3.727 28 HA LYS 6 HA LYS 6 -13.967 -0.777 -1.323 29 1HB LYS 6 2HB LYS 6 -12.093 -1.795 -0.171 30 1HG LYS 6 2HG LYS 6 -10.609 -2.155 -2.744 31 1HD LYS 6 2HD LYS 6 -8.843 -2.858 -1.383 32 1HE LYS 6 2HE LYS 6 -9.724 -4.551 0.126 33 1HZ LYS 6 1HZ LYS 6 -9.923 -5.131 -2.156 34 2HZ LYS 6 2HZ LYS 6 -11.337 -4.222 -2.329 35 3HZ LYS 6 3HZ LYS 6 -11.345 -5.616 -1.370 36 H GLU 7 H GLU 7 -11.860 -0.119 0.411 37 HA GLU 7 HA GLU 7 -11.980 2.657 0.510 38 1HB GLU 7 2HB GLU 7 -10.160 0.661 1.813 39 1HG GLU 7 2HG GLU 7 -11.998 2.728 2.978 40 H LEU 8 H LEU 8 -9.283 0.624 -0.616 41 HA LEU 8 HA LEU 8 -7.566 0.994 -2.041 42 1HB LEU 8 2HB LEU 8 -9.272 3.331 -2.900 43 HG LEU 8 HG LEU 8 -10.187 1.046 -3.444 44 1HD1 LEU 8 1HD1 LEU 8 -10.664 1.602 -5.767 45 2HD1 LEU 8 2HD1 LEU 8 -10.743 3.043 -4.753 46 3HD1 LEU 8 3HD1 LEU 8 -9.334 2.760 -5.778 47 1HD2 LEU 8 1HD2 LEU 8 -9.070 -0.208 -5.232 48 2HD2 LEU 8 2HD2 LEU 8 -7.712 0.918 -5.170 49 3HD2 LEU 8 3HD2 LEU 8 -8.068 -0.115 -3.783 50 H VAL 9 H VAL 9 -5.621 2.137 -2.238 51 HA VAL 9 HA VAL 9 -5.378 4.608 -0.670 52 HB VAL 9 HB VAL 9 -3.014 3.818 -0.052 53 1HG1 VAL 9 1HG1 VAL 9 -5.403 2.503 1.235 54 2HG1 VAL 9 2HG1 VAL 9 -3.807 2.678 1.968 55 3HG1 VAL 9 3HG1 VAL 9 -4.769 4.109 1.597 56 1HG2 VAL 9 1HG2 VAL 9 -2.922 1.871 -1.507 57 2HG2 VAL 9 2HG2 VAL 9 -2.734 1.395 0.183 58 3HG2 VAL 9 3HG2 VAL 9 -4.274 1.143 -0.638 59 H LEU 10 H LEU 10 -3.828 6.049 -1.386 60 HA LEU 10 HA LEU 10 -2.965 5.560 -4.149 61 1HB LEU 10 2HB LEU 10 -4.301 7.412 -4.277 62 HG LEU 10 HG LEU 10 -1.606 8.543 -3.649 63 1HD1 LEU 10 1HD1 LEU 10 -1.598 9.006 -6.055 64 2HD1 LEU 10 2HD1 LEU 10 -1.793 7.288 -5.708 65 3HD1 LEU 10 3HD1 LEU 10 -3.187 8.253 -6.193 66 1HD2 LEU 10 1HD2 LEU 10 -3.229 10.219 -2.990 67 2HD2 LEU 10 2HD2 LEU 10 -2.416 10.698 -4.480 68 3HD2 LEU 10 3HD2 LEU 10 -4.056 10.052 -4.540 69 H ALA 11 H ALA 11 -0.851 5.363 -4.544 70 HA ALA 11 HA ALA 11 1.051 5.596 -2.424 71 1HB ALA 11 1HB ALA 11 1.495 5.149 -5.375 72 2HB ALA 11 2HB ALA 11 2.698 4.931 -4.102 73 3HB ALA 11 3HB ALA 11 1.276 3.890 -4.159 74 H LEU 12 H LEU 12 1.810 7.477 -1.724 75 HA LEU 12 HA LEU 12 1.705 9.846 -3.377 76 1HB LEU 12 2HB LEU 12 2.908 9.495 -0.624 77 HG LEU 12 HG LEU 12 0.488 8.975 -0.553 78 1HD1 LEU 12 1HD1 LEU 12 -0.098 10.600 1.164 79 2HD1 LEU 12 2HD1 LEU 12 1.573 10.067 1.337 80 3HD1 LEU 12 3HD1 LEU 12 1.220 11.646 0.638 81 1HD2 LEU 12 1HD2 LEU 12 0.167 11.750 -1.700 82 2HD2 LEU 12 2HD2 LEU 12 -0.236 10.233 -2.506 83 3HD2 LEU 12 3HD2 LEU 12 -1.138 10.737 -1.077 84 H TYR 13 H TYR 13 4.156 7.751 -1.990 85 HA TYR 13 HA TYR 13 6.176 9.139 -3.607 86 1HB TYR 13 2HB TYR 13 6.858 7.877 -0.964 87 HD1 TYR 13 1HD TYR 13 5.941 8.610 1.044 88 HD2 TYR 13 2HD TYR 13 6.126 11.305 -2.226 89 HE1 TYR 13 1HE TYR 13 4.866 10.336 2.420 90 HE2 TYR 13 2HE TYR 13 5.056 13.050 -0.866 91 HH TYR 13 HH TYR 13 3.739 13.323 1.074 92 H ASP 14 H ASP 14 7.793 7.789 -4.497 93 HA ASP 14 HA ASP 14 7.090 5.119 -5.073 94 1HB ASP 14 2HB ASP 14 9.929 6.101 -5.165 95 H TYR 15 H TYR 15 7.837 3.168 -4.201 96 HA TYR 15 HA TYR 15 9.545 3.369 -1.830 97 1HB TYR 15 2HB TYR 15 7.166 3.375 -1.083 98 HD1 TYR 15 1HD TYR 15 9.226 3.484 0.595 99 HD2 TYR 15 2HD TYR 15 7.198 -0.083 -0.523 100 HE1 TYR 15 1HE TYR 15 10.020 2.402 2.639 101 HE2 TYR 15 2HE TYR 15 8.000 -1.183 1.522 102 HH TYR 15 HH TYR 15 9.828 -0.962 3.153 103 H GLN 16 H GLN 16 11.018 1.836 -1.700 104 HA GLN 16 HA GLN 16 10.790 -0.467 -3.506 105 1HB GLN 16 2HB GLN 16 12.727 0.935 -3.961 106 1HG GLN 16 2HG GLN 16 14.529 -0.582 -3.843 107 1HE2 GLN 16 1HE2 GLN 16 12.230 -2.946 -2.850 108 2HE2 GLN 16 2HE2 GLN 16 11.786 -3.498 -4.435 109 H GLU 17 H GLU 17 10.140 -2.246 -2.522 110 HA GLU 17 HA GLU 17 10.049 -2.654 0.229 111 1HB GLU 17 2HB GLU 17 9.499 -4.953 -0.260 112 1HG GLU 17 2HG GLU 17 10.707 -4.433 -2.949 113 H LYS 18 H LYS 18 11.416 -3.390 1.700 114 HA LYS 18 HA LYS 18 14.158 -3.970 0.823 115 1HB LYS 18 2HB LYS 18 13.155 -3.278 3.595 116 1HG LYS 18 2HG LYS 18 14.403 -1.371 1.641 117 1HD LYS 18 2HD LYS 18 13.010 -1.027 4.284 118 1HE LYS 18 2HE LYS 18 12.325 0.692 2.643 119 1HZ LYS 18 1HZ LYS 18 13.885 2.182 1.721 120 2HZ LYS 18 2HZ LYS 18 14.462 0.629 1.359 121 3HZ LYS 18 3HZ LYS 18 15.166 1.525 2.616 122 H SER 19 H SER 19 11.512 -5.646 1.411 123 HA SER 19 HA SER 19 12.887 -8.070 2.033 124 1HB SER 19 2HB SER 19 11.700 -8.581 4.117 125 HG SER 19 HG SER 19 10.718 -5.925 4.138 126 HA PRO 20 HA PRO 20 9.433 -9.575 -0.341 127 1HB PRO 20 2HB PRO 20 9.138 -12.104 0.655 128 1HG PRO 20 2HG PRO 20 10.532 -11.925 2.504 129 1HD PRO 20 2HD PRO 20 12.084 -10.220 2.711 130 H ALA 21 H ALA 21 9.135 -8.720 2.797 131 HA ALA 21 HA ALA 21 6.328 -9.559 2.985 132 1HB ALA 21 1HB ALA 21 7.658 -10.027 4.969 133 2HB ALA 21 2HB ALA 21 8.117 -8.329 5.082 134 3HB ALA 21 3HB ALA 21 6.436 -8.804 5.319 135 H GLU 22 H GLU 22 8.229 -7.077 1.910 136 HA GLU 22 HA GLU 22 6.233 -4.987 2.447 137 1HB GLU 22 2HB GLU 22 9.106 -4.885 1.523 138 1HG GLU 22 2HG GLU 22 7.923 -3.358 3.791 139 H VAL 23 H VAL 23 6.358 -3.340 0.396 140 HA VAL 23 HA VAL 23 6.219 -4.927 -2.062 141 HB VAL 23 HB VAL 23 4.000 -3.253 -0.924 142 1HG1 VAL 23 1HG1 VAL 23 2.945 -2.999 -3.034 143 2HG1 VAL 23 2HG1 VAL 23 4.560 -2.298 -3.130 144 3HG1 VAL 23 3HG1 VAL 23 4.238 -3.878 -3.851 145 1HG2 VAL 23 1HG2 VAL 23 2.601 -5.077 -1.597 146 2HG2 VAL 23 2HG2 VAL 23 3.932 -5.846 -2.460 147 3HG2 VAL 23 3HG2 VAL 23 3.972 -5.723 -0.698 148 H THR 24 H THR 24 7.061 -3.994 -3.815 149 HA THR 24 HA THR 24 8.095 -1.291 -3.699 150 HB THR 24 HB THR 24 8.038 -3.224 -6.032 151 HG1 THR 24 1HG THR 24 9.242 -4.104 -4.338 152 1HG2 THR 24 1HG2 THR 24 9.831 -1.852 -6.954 153 2HG2 THR 24 2HG2 THR 24 9.746 -0.775 -5.561 154 3HG2 THR 24 3HG2 THR 24 8.389 -0.874 -6.682 155 H MET 25 H MET 25 7.054 0.474 -4.454 156 HA MET 25 HA MET 25 4.804 0.099 -6.289 157 1HB MET 25 2HB MET 25 3.309 1.456 -4.965 158 1HG MET 25 2HG MET 25 5.496 1.616 -2.901 159 1HE MET 25 1HE MET 25 3.552 3.837 -0.328 160 2HE MET 25 2HE MET 25 5.098 3.105 -0.737 161 3HE MET 25 3HE MET 25 4.447 4.406 -1.733 162 H LYS 26 H LYS 26 4.342 1.827 -7.583 163 HA LYS 26 HA LYS 26 6.320 4.010 -7.600 164 1HB LYS 26 2HB LYS 26 6.246 2.692 -9.644 165 1HG LYS 26 2HG LYS 26 5.601 4.286 -11.357 166 1HD LYS 26 2HD LYS 26 7.002 6.147 -10.695 167 1HE LYS 26 2HE LYS 26 7.986 3.537 -9.551 168 1HZ LYS 26 1HZ LYS 26 9.252 5.574 -8.883 169 2HZ LYS 26 2HZ LYS 26 9.616 5.811 -10.524 170 3HZ LYS 26 3HZ LYS 26 10.154 4.412 -9.730 171 H LYS 27 H LYS 27 5.638 6.073 -7.225 172 HA LYS 27 HA LYS 27 3.094 6.467 -6.102 173 1HB LYS 27 2HB LYS 27 3.703 8.643 -5.657 174 1HG LYS 27 2HG LYS 27 4.066 9.247 -8.113 175 1HD LYS 27 2HD LYS 27 6.830 8.414 -7.299 176 1HE LYS 27 2HE LYS 27 6.105 10.240 -9.583 177 1HZ LYS 27 1HZ LYS 27 8.568 10.457 -9.698 178 2HZ LYS 27 2HZ LYS 27 7.986 8.921 -10.128 179 3HZ LYS 27 3HZ LYS 27 8.691 9.165 -8.604 180 H GLY 28 H GLY 28 1.313 7.606 -6.807 181 1HA GLY 28 1HA GLY 28 -0.012 8.646 -8.493 182 2HA GLY 28 2HA GLY 28 1.108 8.043 -9.707 183 H ASP 29 H ASP 29 0.985 5.393 -8.087 184 HA ASP 29 HA ASP 29 -1.224 4.295 -9.607 185 1HB ASP 29 2HB ASP 29 0.985 3.111 -7.968 186 H ILE 30 H ILE 30 -2.913 3.035 -8.693 187 HA ILE 30 HA ILE 30 -3.645 3.855 -5.954 188 HB ILE 30 HB ILE 30 -5.365 3.100 -8.327 189 1HG1 ILE 30 2HG1 ILE 30 -6.630 5.083 -7.841 190 1HG2 ILE 30 1HG2 ILE 30 -7.305 2.925 -6.833 191 2HG2 ILE 30 2HG2 ILE 30 -6.108 1.664 -6.539 192 3HG2 ILE 30 3HG2 ILE 30 -6.223 3.044 -5.445 193 1HD1 ILE 30 1HD1 ILE 30 -5.098 6.940 -7.913 194 2HD1 ILE 30 2HD1 ILE 30 -3.758 5.874 -7.503 195 3HD1 ILE 30 3HD1 ILE 30 -4.616 5.674 -9.036 196 H LEU 31 H LEU 31 -3.534 2.310 -4.441 197 HA LEU 31 HA LEU 31 -3.156 -0.448 -5.387 198 1HB LEU 31 2HB LEU 31 -2.505 0.253 -2.590 199 HG LEU 31 HG LEU 31 -1.377 2.147 -3.557 200 1HD1 LEU 31 1HD1 LEU 31 -0.211 0.767 -1.874 201 2HD1 LEU 31 2HD1 LEU 31 0.588 -0.099 -3.189 202 3HD1 LEU 31 3HD1 LEU 31 0.889 1.625 -2.955 203 1HD2 LEU 31 1HD2 LEU 31 -1.343 1.478 -5.892 204 2HD2 LEU 31 2HD2 LEU 31 0.283 1.888 -5.344 205 3HD2 LEU 31 3HD2 LEU 31 -0.189 0.199 -5.527 206 H THR 32 H THR 32 -4.057 -2.153 -4.127 207 HA THR 32 HA THR 32 -6.690 -1.532 -3.109 208 HB THR 32 HB THR 32 -5.244 -4.181 -3.403 209 HG1 THR 32 1HG THR 32 -5.874 -3.993 -5.404 210 1HG2 THR 32 1HG2 THR 32 -6.981 -4.213 -1.637 211 2HG2 THR 32 2HG2 THR 32 -7.381 -5.239 -3.014 212 3HG2 THR 32 3HG2 THR 32 -8.161 -3.669 -2.832 213 H LEU 33 H LEU 33 -7.159 -1.234 -0.999 214 HA LEU 33 HA LEU 33 -5.069 -1.469 0.955 215 1HB LEU 33 2HB LEU 33 -7.401 0.077 0.754 216 HG LEU 33 HG LEU 33 -5.609 1.156 1.760 217 1HD1 LEU 33 1HD1 LEU 33 -7.576 1.862 2.867 218 2HD1 LEU 33 2HD1 LEU 33 -7.572 0.439 3.914 219 3HD1 LEU 33 3HD1 LEU 33 -6.321 1.668 4.098 220 1HD2 LEU 33 1HD2 LEU 33 -4.285 0.373 3.558 221 2HD2 LEU 33 2HD2 LEU 33 -5.416 -0.936 3.910 222 3HD2 LEU 33 3HD2 LEU 33 -4.449 -0.977 2.429 223 H LEU 34 H LEU 34 -4.669 -3.169 2.144 224 HA LEU 34 HA LEU 34 -6.718 -5.263 2.395 225 1HB LEU 34 2HB LEU 34 -3.711 -5.404 2.553 226 HG LEU 34 HG LEU 34 -4.509 -5.202 0.230 227 1HD1 LEU 34 1HD1 LEU 34 -3.553 -7.972 0.911 228 2HD1 LEU 34 2HD1 LEU 34 -3.396 -7.160 -0.645 229 3HD1 LEU 34 3HD1 LEU 34 -2.527 -6.544 0.761 230 1HD2 LEU 34 1HD2 LEU 34 -6.742 -6.113 0.467 231 2HD2 LEU 34 2HD2 LEU 34 -5.843 -7.013 -0.753 232 3HD2 LEU 34 3HD2 LEU 34 -6.077 -7.700 0.855 233 H ASN 35 H ASN 35 -4.441 -3.253 4.100 234 HA ASN 35 HA ASN 35 -5.867 -3.666 6.576 235 1HB ASN 35 2HB ASN 35 -4.430 -5.327 7.193 236 1HD2 ASN 35 1HD2 ASN 35 -1.805 -3.046 6.718 237 2HD2 ASN 35 2HD2 ASN 35 -1.522 -2.767 8.403 238 H SER 36 H SER 36 -5.876 -1.877 7.779 239 HA SER 36 HA SER 36 -3.701 0.037 7.526 240 1HB SER 36 2HB SER 36 -6.497 0.592 6.710 241 HG SER 36 HG SER 36 -4.081 0.718 5.645 242 H THR 37 H THR 37 -5.244 -1.868 9.466 243 HA THR 37 HA THR 37 -5.873 -0.062 11.633 244 HB THR 37 HB THR 37 -7.213 -2.080 11.404 245 HG1 THR 37 1HG THR 37 -5.715 -1.538 13.667 246 1HG2 THR 37 1HG2 THR 37 -5.565 -3.567 10.394 247 2HG2 THR 37 2HG2 THR 37 -6.242 -4.307 11.846 248 3HG2 THR 37 3HG2 THR 37 -4.634 -3.582 11.892 249 H ASN 38 H ASN 38 -3.097 -1.453 10.378 250 HA ASN 38 HA ASN 38 -1.636 -1.372 12.923 251 1HB ASN 38 2HB ASN 38 -1.392 -3.257 11.133 252 1HD2 ASN 38 1HD2 ASN 38 1.438 -3.236 10.371 253 2HD2 ASN 38 2HD2 ASN 38 2.312 -3.418 11.857 254 H LYS 39 H LYS 39 -0.884 0.644 13.443 255 HA LYS 39 HA LYS 39 -1.068 2.740 11.552 256 1HB LYS 39 2HB LYS 39 -0.457 4.223 13.273 257 1HG LYS 39 2HG LYS 39 0.716 1.985 14.901 258 1HD LYS 39 2HD LYS 39 0.572 4.970 15.216 259 1HE LYS 39 2HE LYS 39 2.183 3.000 16.830 260 1HZ LYS 39 1HZ LYS 39 1.394 4.761 18.205 261 2HZ LYS 39 2HZ LYS 39 1.829 5.937 17.065 262 3HZ LYS 39 3HZ LYS 39 3.030 5.055 17.873 263 H ASP 40 H ASP 40 1.485 0.561 12.197 264 HA ASP 40 HA ASP 40 3.540 2.357 11.160 265 1HB ASP 40 2HB ASP 40 3.592 -0.422 12.310 266 H TRP 41 H TRP 41 2.460 -0.929 10.407 267 HA TRP 41 HA TRP 41 3.268 -0.461 7.622 268 1HB TRP 41 2HB TRP 41 3.260 -2.978 9.283 269 HD1 TRP 41 HD TRP 41 5.296 -2.365 10.802 270 HE1 TRP 41 1HE TRP 41 7.779 -1.889 10.335 271 HE3 TRP 41 3HE TRP 41 5.085 -1.850 5.716 272 HZ2 TRP 41 2HZ TRP 41 9.431 -1.373 8.109 273 HZ3 TRP 41 3HZ TRP 41 7.164 -1.367 4.497 274 HH2 TRP 41 HH TRP 41 9.291 -1.132 5.674 275 H TRP 42 H TRP 42 1.562 -0.159 6.350 276 HA TRP 42 HA TRP 42 -0.942 -1.550 6.882 277 1HB TRP 42 2HB TRP 42 -0.120 0.469 4.797 278 HD1 TRP 42 HD TRP 42 -1.146 0.212 8.275 279 HE1 TRP 42 1HE TRP 42 -2.226 2.402 9.081 280 HE3 TRP 42 3HE TRP 42 -2.065 2.271 3.771 281 HZ2 TRP 42 2HZ TRP 42 -3.344 4.721 7.911 282 HZ3 TRP 42 3HZ TRP 42 -3.163 4.490 3.656 283 HH2 TRP 42 HH TRP 42 -3.780 5.682 5.696 284 H LYS 43 H LYS 43 -1.972 -2.733 5.054 285 HA LYS 43 HA LYS 43 0.069 -4.248 3.560 286 1HB LYS 43 2HB LYS 43 -1.353 -5.463 5.405 287 1HG LYS 43 2HG LYS 43 -1.250 -6.618 2.626 288 1HD LYS 43 2HD LYS 43 -1.275 -7.988 5.323 289 1HE LYS 43 2HE LYS 43 -1.695 -10.020 3.945 290 1HZ LYS 43 1HZ LYS 43 0.510 -9.804 4.689 291 2HZ LYS 43 2HZ LYS 43 0.874 -8.595 3.563 292 3HZ LYS 43 3HZ LYS 43 0.621 -10.186 3.043 293 H VAL 44 H VAL 44 -0.095 -4.074 1.428 294 HA VAL 44 HA VAL 44 -2.664 -3.208 0.300 295 HB VAL 44 HB VAL 44 -1.487 -1.606 -1.179 296 1HG1 VAL 44 1HG1 VAL 44 -2.598 -0.833 0.869 297 2HG1 VAL 44 2HG1 VAL 44 -1.094 -1.059 1.762 298 3HG1 VAL 44 3HG1 VAL 44 -1.184 0.151 0.482 299 1HG2 VAL 44 1HG2 VAL 44 0.793 -0.903 -0.639 300 2HG2 VAL 44 2HG2 VAL 44 0.884 -2.138 0.617 301 3HG2 VAL 44 3HG2 VAL 44 0.742 -2.610 -1.077 302 H GLU 45 H GLU 45 -2.877 -3.585 -1.951 303 HA GLU 45 HA GLU 45 -1.076 -5.680 -2.969 304 1HB GLU 45 2HB GLU 45 -3.380 -6.456 -2.697 305 1HG GLU 45 2HG GLU 45 -2.470 -6.079 -5.536 306 H VAL 46 H VAL 46 0.128 -5.190 -4.631 307 HA VAL 46 HA VAL 46 -0.692 -3.105 -6.523 308 HB VAL 46 HB VAL 46 2.190 -3.203 -5.816 309 1HG1 VAL 46 1HG1 VAL 46 1.791 -0.655 -6.035 310 2HG1 VAL 46 2HG1 VAL 46 1.772 -1.655 -7.486 311 3HG1 VAL 46 3HG1 VAL 46 0.257 -1.134 -6.753 312 1HG2 VAL 46 1HG2 VAL 46 1.233 -3.185 -3.602 313 2HG2 VAL 46 2HG2 VAL 46 1.930 -1.607 -3.967 314 3HG2 VAL 46 3HG2 VAL 46 0.185 -1.838 -4.037 315 H ASN 47 H ASN 47 -0.039 -3.584 -8.623 316 HA ASN 47 HA ASN 47 0.267 -4.944 -10.357 317 1HB ASN 47 2HB ASN 47 2.478 -6.096 -10.565 318 1HD2 ASN 47 1HD2 ASN 47 3.574 -3.776 -8.268 319 2HD2 ASN 47 2HD2 ASN 47 4.384 -4.895 -7.221 320 H ASP 48 H ASP 48 1.813 -7.331 -8.274 321 HA ASP 48 HA ASP 48 -0.639 -8.888 -8.222 322 1HB ASP 48 2HB ASP 48 0.370 -10.901 -9.102 323 H ARG 49 H ARG 49 1.611 -7.501 -6.520 324 HA ARG 49 HA ARG 49 2.089 -9.789 -4.730 325 1HB ARG 49 2HB ARG 49 4.138 -8.987 -5.848 326 1HG ARG 49 2HG ARG 49 4.442 -8.022 -3.047 327 1HD ARG 49 2HD ARG 49 6.487 -9.410 -3.184 328 HE ARG 49 HE ARG 49 7.029 -7.206 -3.847 329 1HH1 ARG 49 2HH1 ARG 49 5.891 -9.127 -6.562 330 2HH1 ARG 49 1HH1 ARG 49 6.667 -8.114 -7.748 331 1HH2 ARG 49 2HH2 ARG 49 8.071 -5.924 -5.384 332 2HH2 ARG 49 1HH2 ARG 49 7.919 -6.307 -7.085 333 H GLN 50 H GLN 50 1.094 -9.642 -2.860 334 HA GLN 50 HA GLN 50 0.275 -6.998 -1.881 335 1HB GLN 50 2HB GLN 50 -0.557 -9.683 -0.761 336 1HG GLN 50 2HG GLN 50 -2.054 -8.126 -2.867 337 1HE2 GLN 50 1HE2 GLN 50 -4.063 -8.942 -3.419 338 2HE2 GLN 50 2HE2 GLN 50 -4.949 -9.983 -2.352 339 H GLY 51 H GLY 51 1.186 -6.129 -0.130 340 1HA GLY 51 1HA GLY 51 2.579 -7.714 1.831 341 2HA GLY 51 2HA GLY 51 3.659 -6.817 0.772 342 H PHE 52 H PHE 52 4.319 -5.771 2.797 343 HA PHE 52 HA PHE 52 2.339 -3.888 3.846 344 1HB PHE 52 2HB PHE 52 4.965 -4.878 4.945 345 HD1 PHE 52 1HD PHE 52 1.569 -4.029 6.217 346 HD2 PHE 52 2HD PHE 52 4.589 -6.991 5.771 347 HE1 PHE 52 1HE PHE 52 0.217 -5.601 7.540 348 HE2 PHE 52 2HE PHE 52 3.245 -8.571 7.091 349 HZ PHE 52 HZ PHE 52 1.074 -7.867 8.012 350 H VAL 53 H VAL 53 2.653 -1.744 3.957 351 HA VAL 53 HA VAL 53 5.135 -0.562 2.917 352 HB VAL 53 HB VAL 53 3.846 1.184 1.721 353 1HG1 VAL 53 1HG1 VAL 53 3.208 -0.163 -0.224 354 2HG1 VAL 53 2HG1 VAL 53 4.745 -0.688 0.464 355 3HG1 VAL 53 3HG1 VAL 53 3.278 -1.619 0.768 356 1HG2 VAL 53 1HG2 VAL 53 1.457 -0.578 2.286 357 2HG2 VAL 53 2HG2 VAL 53 1.749 1.032 2.945 358 3HG2 VAL 53 3HG2 VAL 53 1.472 0.827 1.216 359 HA PRO 54 HA PRO 54 4.729 2.094 6.460 360 1HB PRO 54 2HB PRO 54 5.672 4.457 5.416 361 1HG PRO 54 2HG PRO 54 5.897 3.834 3.199 362 1HD PRO 54 2HD PRO 54 5.717 1.639 2.525 363 H ALA 55 H ALA 55 3.035 3.122 7.277 364 HA ALA 55 HA ALA 55 0.758 3.728 5.755 365 1HB ALA 55 1HB ALA 55 -0.166 4.613 7.828 366 2HB ALA 55 2HB ALA 55 0.687 3.098 8.117 367 3HB ALA 55 3HB ALA 55 1.442 4.630 8.550 368 H ALA 56 H ALA 56 3.493 5.681 6.617 369 HA ALA 56 HA ALA 56 2.137 8.199 6.192 370 1HB ALA 56 1HB ALA 56 4.357 9.185 6.578 371 2HB ALA 56 2HB ALA 56 3.897 8.053 7.852 372 3HB ALA 56 3HB ALA 56 5.055 7.564 6.611 373 H TYR 57 H TYR 57 3.103 5.908 4.074 374 HA TYR 57 HA TYR 57 4.162 7.836 2.124 375 1HB TYR 57 2HB TYR 57 4.596 4.900 2.473 376 HD1 TYR 57 1HD TYR 57 7.089 5.209 0.618 377 HD2 TYR 57 2HD TYR 57 5.672 7.370 3.997 378 HE1 TYR 57 1HE TYR 57 9.387 5.914 1.126 379 HE2 TYR 57 2HE TYR 57 7.962 8.078 4.512 380 HH TYR 57 HH TYR 57 10.222 7.453 4.103 381 H VAL 58 H VAL 58 1.467 5.887 2.806 382 HA VAL 58 HA VAL 58 0.470 6.383 0.091 383 HB VAL 58 HB VAL 58 -1.082 4.476 0.446 384 1HG1 VAL 58 1HG1 VAL 58 1.849 3.847 0.765 385 2HG1 VAL 58 2HG1 VAL 58 0.621 2.731 0.163 386 3HG1 VAL 58 3HG1 VAL 58 1.024 4.183 -0.760 387 1HG2 VAL 58 1HG2 VAL 58 -0.672 2.924 2.265 388 2HG2 VAL 58 2HG2 VAL 58 0.600 3.971 2.898 389 3HG2 VAL 58 3HG2 VAL 58 -1.076 4.518 2.905 390 H LYS 59 H LYS 59 -1.765 6.895 -0.121 391 HA LYS 59 HA LYS 59 -2.752 8.459 2.176 392 1HB LYS 59 2HB LYS 59 -2.103 9.821 0.255 393 1HG LYS 59 2HG LYS 59 -5.090 9.652 0.559 394 1HD LYS 59 2HD LYS 59 -3.395 11.767 -0.765 395 1HE LYS 59 2HE LYS 59 -5.587 12.825 -1.275 396 1HZ LYS 59 1HZ LYS 59 -5.909 13.785 0.913 397 2HZ LYS 59 2HZ LYS 59 -4.256 13.656 0.555 398 3HZ LYS 59 3HZ LYS 59 -4.977 12.554 1.619 399 H LYS 60 H LYS 60 -4.843 8.278 2.804 400 HA LYS 60 HA LYS 60 -6.332 5.968 1.972 401 1HB LYS 60 2HB LYS 60 -7.129 8.308 3.729 402 1HG LYS 60 2HG LYS 60 -5.341 6.701 4.601 403 1HD LYS 60 2HD LYS 60 -6.390 4.600 3.845 404 1HE LYS 60 2HE LYS 60 -8.244 4.049 5.827 405 1HZ LYS 60 1HZ LYS 60 -8.985 4.910 3.101 406 2HZ LYS 60 2HZ LYS 60 -9.752 3.763 4.091 407 3HZ LYS 60 3HZ LYS 60 -8.238 3.424 3.412 408 H LEU 61 H LEU 61 -7.233 5.948 0.012 409 HA LEU 61 HA LEU 61 -8.419 8.356 -1.110 410 1HB LEU 61 2HB LEU 61 -8.145 5.531 -2.124 411 HG LEU 61 HG LEU 61 -6.067 6.969 -2.314 412 1HD1 LEU 61 1HD1 LEU 61 -5.686 6.387 -4.646 413 2HD1 LEU 61 2HD1 LEU 61 -6.523 5.080 -3.806 414 3HD1 LEU 61 3HD1 LEU 61 -7.417 6.150 -4.887 415 1HD2 LEU 61 1HD2 LEU 61 -7.921 8.583 -4.066 416 2HD2 LEU 61 2HD2 LEU 61 -6.995 9.140 -2.672 417 3HD2 LEU 61 3HD2 LEU 61 -6.160 8.676 -4.152 418 H ASP 62 H ASP 62 -9.449 7.290 1.312 419 HA ASP 62 HA ASP 62 -12.169 6.532 0.505 420 1HB ASP 62 2HB ASP 62 -11.059 4.645 1.600 Start of MODEL 14 1 1H MET 1 1H MET 1 -17.403 -6.867 -1.134 2 2H MET 1 2H MET 1 -17.622 -5.227 -1.502 3 3H MET 1 3H MET 1 -16.260 -5.724 -0.631 4 HA MET 1 HA MET 1 -16.888 -6.340 -3.451 5 1HB MET 1 2HB MET 1 -15.906 -4.042 -2.639 6 1HG MET 1 2HG MET 1 -14.549 -5.595 -4.834 7 1HE MET 1 1HE MET 1 -15.004 -3.254 -7.012 8 2HE MET 1 2HE MET 1 -13.409 -2.503 -6.976 9 3HE MET 1 3HE MET 1 -13.556 -4.259 -6.921 10 H ASP 2 H ASP 2 -13.853 -6.569 -3.732 11 HA ASP 2 HA ASP 2 -13.964 -9.440 -3.547 12 1HB ASP 2 2HB ASP 2 -11.607 -9.339 -4.489 13 H GLU 3 H GLU 3 -12.500 -6.930 -1.652 14 HA GLU 3 HA GLU 3 -11.340 -9.036 0.071 15 1HB GLU 3 2HB GLU 3 -9.551 -7.728 -1.035 16 1HG GLU 3 2HG GLU 3 -8.237 -7.113 0.840 17 H THR 4 H THR 4 -13.865 -8.533 0.489 18 HA THR 4 HA THR 4 -15.391 -8.015 2.193 19 HB THR 4 HB THR 4 -13.187 -6.570 3.684 20 HG1 THR 4 1HG THR 4 -12.204 -8.455 3.619 21 1HG2 THR 4 1HG2 THR 4 -15.459 -6.352 4.569 22 2HG2 THR 4 2HG2 THR 4 -14.455 -7.325 5.644 23 3HG2 THR 4 3HG2 THR 4 -15.628 -8.109 4.585 24 H GLY 5 H GLY 5 -13.312 -5.643 0.810 25 1HA GLY 5 1HA GLY 5 -15.358 -3.834 0.166 26 2HA GLY 5 2HA GLY 5 -14.495 -3.249 1.589 27 H LYS 6 H LYS 6 -13.843 -1.457 0.101 28 HA LYS 6 HA LYS 6 -11.200 -2.098 -0.832 29 1HB LYS 6 2HB LYS 6 -12.770 -2.478 -2.783 30 1HG LYS 6 2HG LYS 6 -11.384 -1.418 -4.384 31 1HD LYS 6 2HD LYS 6 -9.157 -2.024 -3.608 32 1HE LYS 6 2HE LYS 6 -9.691 -4.339 -2.817 33 1HZ LYS 6 1HZ LYS 6 -11.238 -4.848 -4.776 34 2HZ LYS 6 2HZ LYS 6 -9.707 -4.202 -5.110 35 3HZ LYS 6 3HZ LYS 6 -11.075 -3.199 -5.163 36 H GLU 7 H GLU 7 -10.582 -0.748 0.863 37 HA GLU 7 HA GLU 7 -11.444 1.926 1.136 38 1HB GLU 7 2HB GLU 7 -9.120 0.364 2.154 39 1HG GLU 7 2HG GLU 7 -11.323 0.460 3.386 40 H LEU 8 H LEU 8 -8.823 0.486 -0.770 41 HA LEU 8 HA LEU 8 -7.409 1.267 -2.337 42 1HB LEU 8 2HB LEU 8 -9.539 3.382 -2.583 43 HG LEU 8 HG LEU 8 -10.161 1.053 -3.301 44 1HD1 LEU 8 1HD1 LEU 8 -11.033 1.771 -5.492 45 2HD1 LEU 8 2HD1 LEU 8 -11.294 2.971 -4.225 46 3HD1 LEU 8 3HD1 LEU 8 -10.005 3.201 -5.408 47 1HD2 LEU 8 1HD2 LEU 8 -7.981 1.547 -5.332 48 2HD2 LEU 8 2HD2 LEU 8 -8.009 0.284 -4.101 49 3HD2 LEU 8 3HD2 LEU 8 -9.177 0.254 -5.422 50 H VAL 9 H VAL 9 -5.481 2.153 -2.147 51 HA VAL 9 HA VAL 9 -5.283 4.763 -0.806 52 HB VAL 9 HB VAL 9 -2.936 4.011 -0.086 53 1HG1 VAL 9 1HG1 VAL 9 -4.771 4.423 1.474 54 2HG1 VAL 9 2HG1 VAL 9 -5.343 2.770 1.237 55 3HG1 VAL 9 3HG1 VAL 9 -3.777 3.059 1.992 56 1HG2 VAL 9 1HG2 VAL 9 -4.202 1.313 -0.546 57 2HG2 VAL 9 2HG2 VAL 9 -2.801 1.970 -1.389 58 3HG2 VAL 9 3HG2 VAL 9 -2.700 1.598 0.330 59 H LEU 10 H LEU 10 -3.801 6.179 -1.575 60 HA LEU 10 HA LEU 10 -2.831 5.584 -4.276 61 1HB LEU 10 2HB LEU 10 -4.165 7.420 -4.517 62 HG LEU 10 HG LEU 10 -1.505 8.581 -3.807 63 1HD1 LEU 10 1HD1 LEU 10 -1.651 7.326 -5.871 64 2HD1 LEU 10 2HD1 LEU 10 -3.024 8.302 -6.390 65 3HD1 LEU 10 3HD1 LEU 10 -1.434 9.044 -6.210 66 1HD2 LEU 10 1HD2 LEU 10 -2.302 10.733 -4.669 67 2HD2 LEU 10 2HD2 LEU 10 -3.939 10.083 -4.746 68 3HD2 LEU 10 3HD2 LEU 10 -3.134 10.262 -3.187 69 H ALA 11 H ALA 11 -0.718 5.327 -4.563 70 HA ALA 11 HA ALA 11 1.159 5.686 -2.457 71 1HB ALA 11 1HB ALA 11 1.678 5.196 -5.392 72 2HB ALA 11 2HB ALA 11 2.809 4.927 -4.062 73 3HB ALA 11 3HB ALA 11 1.355 3.935 -4.198 74 H LEU 12 H LEU 12 1.900 7.607 -1.817 75 HA LEU 12 HA LEU 12 1.816 9.919 -3.570 76 1HB LEU 12 2HB LEU 12 2.999 9.720 -0.802 77 HG LEU 12 HG LEU 12 0.580 9.052 -0.747 78 1HD1 LEU 12 1HD1 LEU 12 1.303 11.706 0.501 79 2HD1 LEU 12 2HD1 LEU 12 -0.022 10.659 1.009 80 3HD1 LEU 12 3HD1 LEU 12 1.647 10.109 1.166 81 1HD2 LEU 12 1HD2 LEU 12 -1.101 10.749 -1.240 82 2HD2 LEU 12 2HD2 LEU 12 0.158 11.868 -1.762 83 3HD2 LEU 12 3HD2 LEU 12 -0.147 10.395 -2.681 84 H TYR 13 H TYR 13 4.169 7.798 -2.129 85 HA TYR 13 HA TYR 13 6.295 9.161 -3.631 86 1HB TYR 13 2HB TYR 13 6.820 7.643 -1.082 87 HD1 TYR 13 1HD TYR 13 6.373 8.430 1.087 88 HD2 TYR 13 2HD TYR 13 5.983 11.085 -2.210 89 HE1 TYR 13 1HE TYR 13 5.419 10.130 2.576 90 HE2 TYR 13 2HE TYR 13 5.041 12.797 -0.725 91 HH TYR 13 HH TYR 13 3.789 12.805 1.496 92 H ASP 14 H ASP 14 7.996 7.713 -4.399 93 HA ASP 14 HA ASP 14 6.998 5.093 -5.050 94 1HB ASP 14 2HB ASP 14 9.019 4.843 -6.357 95 H TYR 15 H TYR 15 7.775 3.151 -4.260 96 HA TYR 15 HA TYR 15 9.519 3.384 -1.909 97 1HB TYR 15 2HB TYR 15 7.112 3.315 -1.223 98 HD1 TYR 15 1HD TYR 15 9.162 3.493 0.493 99 HD2 TYR 15 2HD TYR 15 7.209 -0.115 -0.622 100 HE1 TYR 15 1HE TYR 15 9.930 2.448 2.567 101 HE2 TYR 15 2HE TYR 15 7.985 -1.179 1.449 102 HH TYR 15 HH TYR 15 9.736 -0.935 3.116 103 H GLN 16 H GLN 16 10.998 1.864 -1.707 104 HA GLN 16 HA GLN 16 10.857 -0.456 -3.501 105 1HB GLN 16 2HB GLN 16 12.762 0.998 -3.974 106 1HG GLN 16 2HG GLN 16 14.593 -0.506 -3.826 107 1HE2 GLN 16 1HE2 GLN 16 12.214 -2.853 -2.939 108 2HE2 GLN 16 2HE2 GLN 16 11.842 -3.391 -4.546 109 H GLU 17 H GLU 17 10.166 -2.172 -2.448 110 HA GLU 17 HA GLU 17 10.203 -2.618 0.293 111 1HB GLU 17 2HB GLU 17 9.705 -4.929 -0.212 112 1HG GLU 17 2HG GLU 17 10.777 -4.327 -2.950 113 H LYS 18 H LYS 18 11.799 -3.028 1.681 114 HA LYS 18 HA LYS 18 14.392 -3.833 0.595 115 1HB LYS 18 2HB LYS 18 15.344 -3.045 2.670 116 1HG LYS 18 2HG LYS 18 12.502 -2.690 3.530 117 1HD LYS 18 2HD LYS 18 13.880 -1.765 5.617 118 1HE LYS 18 2HE LYS 18 12.040 -0.555 4.700 119 1HZ LYS 18 1HZ LYS 18 12.306 -0.757 2.382 120 2HZ LYS 18 2HZ LYS 18 13.816 0.003 2.392 121 3HZ LYS 18 3HZ LYS 18 12.414 0.899 2.712 122 H SER 19 H SER 19 11.739 -5.268 1.703 123 HA SER 19 HA SER 19 13.183 -7.702 2.295 124 1HB SER 19 2HB SER 19 11.910 -8.156 4.353 125 HG SER 19 HG SER 19 10.998 -5.472 4.285 126 HA PRO 20 HA PRO 20 10.007 -9.384 -0.275 127 1HB PRO 20 2HB PRO 20 9.644 -11.853 0.891 128 1HG PRO 20 2HG PRO 20 10.971 -11.557 2.761 129 1HD PRO 20 2HD PRO 20 12.481 -9.806 2.939 130 H ALA 21 H ALA 21 9.419 -8.813 3.034 131 HA ALA 21 HA ALA 21 6.626 -9.617 2.915 132 1HB ALA 21 1HB ALA 21 8.130 -8.197 5.113 133 2HB ALA 21 2HB ALA 21 6.504 -8.867 5.229 134 3HB ALA 21 3HB ALA 21 7.885 -9.941 4.999 135 H GLU 22 H GLU 22 8.517 -6.952 2.126 136 HA GLU 22 HA GLU 22 6.401 -4.979 2.476 137 1HB GLU 22 2HB GLU 22 9.261 -4.836 1.539 138 1HG GLU 22 2HG GLU 22 7.989 -3.258 3.728 139 H VAL 23 H VAL 23 6.400 -3.386 0.420 140 HA VAL 23 HA VAL 23 6.257 -4.996 -2.021 141 HB VAL 23 HB VAL 23 4.023 -3.336 -0.872 142 1HG1 VAL 23 1HG1 VAL 23 4.192 -4.133 -3.761 143 2HG1 VAL 23 2HG1 VAL 23 2.897 -3.244 -2.962 144 3HG1 VAL 23 3HG1 VAL 23 4.486 -2.505 -3.146 145 1HG2 VAL 23 1HG2 VAL 23 2.655 -5.225 -1.339 146 2HG2 VAL 23 2HG2 VAL 23 3.940 -6.005 -2.260 147 3HG2 VAL 23 3HG2 VAL 23 4.101 -5.804 -0.513 148 H THR 24 H THR 24 7.132 -4.078 -3.730 149 HA THR 24 HA THR 24 8.102 -1.364 -3.669 150 HB THR 24 HB THR 24 8.044 -3.306 -5.991 151 HG1 THR 24 1HG THR 24 9.217 -4.219 -4.289 152 1HG2 THR 24 1HG2 THR 24 8.456 -0.989 -6.662 153 2HG2 THR 24 2HG2 THR 24 9.911 -1.969 -6.854 154 3HG2 THR 24 3HG2 THR 24 9.761 -0.872 -5.482 155 H MET 25 H MET 25 7.119 0.388 -4.535 156 HA MET 25 HA MET 25 4.904 0.046 -6.401 157 1HB MET 25 2HB MET 25 3.342 1.330 -5.083 158 1HG MET 25 2HG MET 25 5.511 1.526 -3.005 159 1HE MET 25 1HE MET 25 3.517 3.631 -0.367 160 2HE MET 25 2HE MET 25 5.091 2.980 -0.818 161 3HE MET 25 3HE MET 25 4.358 4.259 -1.784 162 H LYS 26 H LYS 26 4.454 1.918 -7.609 163 HA LYS 26 HA LYS 26 6.382 4.105 -7.258 164 1HB LYS 26 2HB LYS 26 5.006 3.056 -9.725 165 1HG LYS 26 2HG LYS 26 7.256 2.143 -9.044 166 1HD LYS 26 2HD LYS 26 8.149 4.910 -9.867 167 1HE LYS 26 2HE LYS 26 9.761 2.484 -9.079 168 1HZ LYS 26 1HZ LYS 26 10.709 5.111 -10.081 169 2HZ LYS 26 2HZ LYS 26 11.661 3.802 -9.574 170 3HZ LYS 26 3HZ LYS 26 10.733 4.656 -8.449 171 H LYS 27 H LYS 27 5.678 6.115 -6.963 172 HA LYS 27 HA LYS 27 3.124 6.588 -6.006 173 1HB LYS 27 2HB LYS 27 3.705 8.825 -5.765 174 1HG LYS 27 2HG LYS 27 4.261 9.122 -8.259 175 1HD LYS 27 2HD LYS 27 6.999 8.613 -7.099 176 1HE LYS 27 2HE LYS 27 6.403 9.531 -9.888 177 1HZ LYS 27 1HZ LYS 27 8.740 10.141 -9.823 178 2HZ LYS 27 2HZ LYS 27 8.551 8.496 -9.479 179 3HZ LYS 27 3HZ LYS 27 8.865 9.594 -8.224 180 H GLY 28 H GLY 28 1.347 7.658 -6.792 181 1HA GLY 28 1HA GLY 28 0.030 8.609 -8.540 182 2HA GLY 28 2HA GLY 28 1.166 7.954 -9.710 183 H ASP 29 H ASP 29 1.159 5.334 -8.246 184 HA ASP 29 HA ASP 29 -1.045 4.177 -9.678 185 1HB ASP 29 2HB ASP 29 1.173 3.071 -7.988 186 H ILE 30 H ILE 30 -2.789 3.061 -8.850 187 HA ILE 30 HA ILE 30 -3.624 3.878 -6.150 188 HB ILE 30 HB ILE 30 -5.299 2.728 -8.393 189 1HG1 ILE 30 2HG1 ILE 30 -4.468 4.917 -9.032 190 1HG2 ILE 30 1HG2 ILE 30 -6.239 2.276 -6.201 191 2HG2 ILE 30 2HG2 ILE 30 -6.129 3.985 -5.782 192 3HG2 ILE 30 3HG2 ILE 30 -7.221 3.459 -7.064 193 1HD1 ILE 30 1HD1 ILE 30 -5.637 5.954 -6.466 194 2HD1 ILE 30 2HD1 ILE 30 -3.921 5.860 -6.860 195 3HD1 ILE 30 3HD1 ILE 30 -4.980 6.929 -7.778 196 H LEU 31 H LEU 31 -3.324 2.362 -4.598 197 HA LEU 31 HA LEU 31 -3.097 -0.432 -5.485 198 1HB LEU 31 2HB LEU 31 -2.367 0.284 -2.712 199 HG LEU 31 HG LEU 31 -1.191 2.131 -3.669 200 1HD1 LEU 31 1HD1 LEU 31 -0.014 0.586 -2.087 201 2HD1 LEU 31 2HD1 LEU 31 0.761 -0.146 -3.494 202 3HD1 LEU 31 3HD1 LEU 31 1.044 1.554 -3.115 203 1HD2 LEU 31 1HD2 LEU 31 -1.295 1.418 -6.032 204 2HD2 LEU 31 2HD2 LEU 31 0.317 1.946 -5.539 205 3HD2 LEU 31 3HD2 LEU 31 -0.041 0.226 -5.702 206 H THR 32 H THR 32 -4.004 -2.100 -4.173 207 HA THR 32 HA THR 32 -6.578 -1.418 -3.046 208 HB THR 32 HB THR 32 -5.192 -4.106 -3.175 209 HG1 THR 32 1HG THR 32 -6.182 -4.418 -5.094 210 1HG2 THR 32 1HG2 THR 32 -8.093 -3.385 -2.713 211 2HG2 THR 32 2HG2 THR 32 -6.970 -4.058 -1.517 212 3HG2 THR 32 3HG2 THR 32 -7.459 -5.023 -2.909 213 H LEU 33 H LEU 33 -6.988 -1.175 -0.901 214 HA LEU 33 HA LEU 33 -4.794 -1.534 0.939 215 1HB LEU 33 2HB LEU 33 -6.930 0.258 0.826 216 HG LEU 33 HG LEU 33 -4.974 1.076 1.789 217 1HD1 LEU 33 1HD1 LEU 33 -6.973 0.637 3.990 218 2HD1 LEU 33 2HD1 LEU 33 -5.602 1.744 4.089 219 3HD1 LEU 33 3HD1 LEU 33 -6.862 2.011 2.889 220 1HD2 LEU 33 1HD2 LEU 33 -5.083 -1.206 3.751 221 2HD2 LEU 33 2HD2 LEU 33 -3.937 -1.009 2.425 222 3HD2 LEU 33 3HD2 LEU 33 -3.912 0.110 3.789 223 H LEU 34 H LEU 34 -4.538 -3.217 2.183 224 HA LEU 34 HA LEU 34 -6.693 -5.209 2.374 225 1HB LEU 34 2HB LEU 34 -3.697 -5.422 2.655 226 HG LEU 34 HG LEU 34 -4.531 -5.355 0.301 227 1HD1 LEU 34 1HD1 LEU 34 -3.399 -8.005 1.199 228 2HD1 LEU 34 2HD1 LEU 34 -3.298 -7.315 -0.424 229 3HD1 LEU 34 3HD1 LEU 34 -2.471 -6.530 0.919 230 1HD2 LEU 34 1HD2 LEU 34 -5.946 -7.889 1.124 231 2HD2 LEU 34 2HD2 LEU 34 -6.700 -6.378 0.615 232 3HD2 LEU 34 3HD2 LEU 34 -5.752 -7.318 -0.536 233 H ASN 35 H ASN 35 -4.443 -3.270 4.229 234 HA ASN 35 HA ASN 35 -5.940 -3.841 6.659 235 1HB ASN 35 2HB ASN 35 -4.399 -5.405 7.248 236 1HD2 ASN 35 1HD2 ASN 35 -1.846 -3.044 6.870 237 2HD2 ASN 35 2HD2 ASN 35 -1.627 -2.748 8.556 238 H SER 36 H SER 36 -6.275 -2.025 7.737 239 HA SER 36 HA SER 36 -4.188 0.037 7.690 240 1HB SER 36 2HB SER 36 -6.076 1.736 7.806 241 HG SER 36 HG SER 36 -8.088 1.078 7.133 242 H THR 37 H THR 37 -5.525 -2.182 9.538 243 HA THR 37 HA THR 37 -6.328 -0.638 11.821 244 HB THR 37 HB THR 37 -7.327 -2.849 11.401 245 HG1 THR 37 1HG THR 37 -5.821 -2.994 13.819 246 1HG2 THR 37 1HG2 THR 37 -4.583 -3.933 12.061 247 2HG2 THR 37 2HG2 THR 37 -5.388 -4.024 10.495 248 3HG2 THR 37 3HG2 THR 37 -6.048 -4.898 11.879 249 H ASN 38 H ASN 38 -3.385 -2.014 10.628 250 HA ASN 38 HA ASN 38 -1.942 -1.680 13.106 251 1HB ASN 38 2HB ASN 38 -1.331 -3.362 11.293 252 1HD2 ASN 38 1HD2 ASN 38 1.293 -2.983 10.336 253 2HD2 ASN 38 2HD2 ASN 38 2.336 -2.842 11.716 254 H LYS 39 H LYS 39 -0.663 0.072 13.669 255 HA LYS 39 HA LYS 39 -1.484 2.521 12.387 256 1HB LYS 39 2HB LYS 39 -0.728 3.641 14.294 257 1HG LYS 39 2HG LYS 39 1.055 1.330 15.018 258 1HD LYS 39 2HD LYS 39 0.505 4.013 16.231 259 1HE LYS 39 2HE LYS 39 2.899 3.977 15.944 260 1HZ LYS 39 1HZ LYS 39 4.258 2.205 16.784 261 2HZ LYS 39 2HZ LYS 39 3.179 1.567 15.646 262 3HZ LYS 39 3HZ LYS 39 2.898 1.338 17.308 263 H ASP 40 H ASP 40 1.134 0.427 12.006 264 HA ASP 40 HA ASP 40 2.894 2.608 11.093 265 1HB ASP 40 2HB ASP 40 3.719 -0.156 12.012 266 H TRP 41 H TRP 41 2.633 -0.888 10.551 267 HA TRP 41 HA TRP 41 3.275 -0.434 7.742 268 1HB TRP 41 2HB TRP 41 3.324 -2.904 9.471 269 HD1 TRP 41 HD TRP 41 5.343 -2.059 10.946 270 HE1 TRP 41 1HE TRP 41 7.806 -1.543 10.417 271 HE3 TRP 41 3HE TRP 41 5.080 -1.983 5.839 272 HZ2 TRP 41 2HZ TRP 41 9.424 -1.161 8.142 273 HZ3 TRP 41 3HZ TRP 41 7.135 -1.531 4.562 274 HH2 TRP 41 HH TRP 41 9.261 -1.129 5.692 275 H TRP 42 H TRP 42 1.650 -0.214 6.418 276 HA TRP 42 HA TRP 42 -0.880 -1.570 6.945 277 1HB TRP 42 2HB TRP 42 -0.022 0.559 5.002 278 HD1 TRP 42 HD TRP 42 -0.885 0.159 8.415 279 HE1 TRP 42 1HE TRP 42 -2.227 2.148 9.340 280 HE3 TRP 42 3HE TRP 42 -2.345 2.219 4.012 281 HZ2 TRP 42 2HZ TRP 42 -3.710 4.333 8.315 282 HZ3 TRP 42 3HZ TRP 42 -3.720 4.273 4.042 283 HH2 TRP 42 HH TRP 42 -4.390 5.304 6.162 284 H LYS 43 H LYS 43 -1.914 -2.721 5.115 285 HA LYS 43 HA LYS 43 0.140 -4.207 3.612 286 1HB LYS 43 2HB LYS 43 -1.357 -5.385 5.456 287 1HG LYS 43 2HG LYS 43 -1.008 -6.606 2.721 288 1HD LYS 43 2HD LYS 43 -1.410 -7.861 5.439 289 1HE LYS 43 2HE LYS 43 -1.513 -9.989 4.127 290 1HZ LYS 43 1HZ LYS 43 0.473 -9.448 5.368 291 2HZ LYS 43 2HZ LYS 43 1.103 -8.573 4.059 292 3HZ LYS 43 3HZ LYS 43 0.883 -10.244 3.930 293 H VAL 44 H VAL 44 -0.027 -4.103 1.467 294 HA VAL 44 HA VAL 44 -2.560 -3.121 0.348 295 HB VAL 44 HB VAL 44 -1.288 -1.711 -1.245 296 1HG1 VAL 44 1HG1 VAL 44 -0.804 -1.052 1.660 297 2HG1 VAL 44 2HG1 VAL 44 -0.804 0.096 0.322 298 3HG1 VAL 44 3HG1 VAL 44 -2.294 -0.739 0.768 299 1HG2 VAL 44 1HG2 VAL 44 1.066 -2.357 0.533 300 2HG2 VAL 44 2HG2 VAL 44 0.855 -2.878 -1.140 301 3HG2 VAL 44 3HG2 VAL 44 1.054 -1.165 -0.767 302 H GLU 45 H GLU 45 -2.686 -3.374 -1.977 303 HA GLU 45 HA GLU 45 -1.236 -5.737 -2.968 304 1HB GLU 45 2HB GLU 45 -3.484 -6.420 -2.510 305 1HG GLU 45 2HG GLU 45 -3.104 -5.860 -5.432 306 H VAL 46 H VAL 46 -0.011 -5.234 -4.645 307 HA VAL 46 HA VAL 46 -0.889 -3.058 -6.428 308 HB VAL 46 HB VAL 46 2.020 -3.540 -5.999 309 1HG1 VAL 46 1HG1 VAL 46 2.077 -1.082 -6.471 310 2HG1 VAL 46 2HG1 VAL 46 1.445 -2.077 -7.788 311 3HG1 VAL 46 3HG1 VAL 46 0.341 -1.170 -6.757 312 1HG2 VAL 46 1HG2 VAL 46 0.316 -1.833 -4.201 313 2HG2 VAL 46 2HG2 VAL 46 1.187 -3.293 -3.739 314 3HG2 VAL 46 3HG2 VAL 46 2.078 -1.850 -4.223 315 H ASN 47 H ASN 47 -1.070 -3.680 -8.435 316 HA ASN 47 HA ASN 47 -1.250 -4.966 -10.232 317 1HB ASN 47 2HB ASN 47 0.719 -5.805 -11.306 318 1HD2 ASN 47 1HD2 ASN 47 2.724 -4.136 -9.098 319 2HD2 ASN 47 2HD2 ASN 47 3.718 -5.481 -8.656 320 H ASP 48 H ASP 48 0.745 -7.113 -8.176 321 HA ASP 48 HA ASP 48 -1.437 -8.941 -7.853 322 1HB ASP 48 2HB ASP 48 -0.647 -9.501 -10.146 323 H ARG 49 H ARG 49 0.958 -7.360 -6.620 324 HA ARG 49 HA ARG 49 2.087 -9.575 -5.048 325 1HB ARG 49 2HB ARG 49 3.689 -8.350 -6.517 326 1HG ARG 49 2HG ARG 49 4.410 -7.617 -3.715 327 1HD ARG 49 2HD ARG 49 6.612 -8.539 -4.453 328 HE ARG 49 HE ARG 49 6.454 -6.158 -4.735 329 1HH1 ARG 49 2HH1 ARG 49 5.743 -8.025 -7.610 330 2HH1 ARG 49 1HH1 ARG 49 6.083 -6.718 -8.703 331 1HH2 ARG 49 2HH2 ARG 49 6.865 -4.424 -6.169 332 2HH2 ARG 49 1HH2 ARG 49 6.690 -4.654 -7.883 333 H GLN 50 H GLN 50 1.304 -9.653 -3.073 334 HA GLN 50 HA GLN 50 0.184 -7.232 -1.851 335 1HB GLN 50 2HB GLN 50 -0.136 -9.780 -0.414 336 1HG GLN 50 2HG GLN 50 -0.267 -10.526 -2.829 337 1HE2 GLN 50 1HE2 GLN 50 -3.590 -9.922 -2.230 338 2HE2 GLN 50 2HE2 GLN 50 -3.902 -8.988 -3.655 339 H GLY 51 H GLY 51 0.923 -6.463 0.120 340 1HA GLY 51 1HA GLY 51 2.583 -7.849 1.904 341 2HA GLY 51 2HA GLY 51 3.617 -6.978 0.782 342 H PHE 52 H PHE 52 4.295 -5.914 2.830 343 HA PHE 52 HA PHE 52 2.337 -3.991 3.848 344 1HB PHE 52 2HB PHE 52 4.940 -5.023 4.949 345 HD1 PHE 52 1HD PHE 52 1.595 -3.972 6.227 346 HD2 PHE 52 2HD PHE 52 4.501 -7.063 5.911 347 HE1 PHE 52 1HE PHE 52 0.232 -5.396 7.691 348 HE2 PHE 52 2HE PHE 52 3.137 -8.495 7.375 349 HZ PHE 52 HZ PHE 52 1.003 -7.653 8.273 350 H VAL 53 H VAL 53 2.675 -1.850 3.936 351 HA VAL 53 HA VAL 53 5.181 -0.710 2.898 352 HB VAL 53 HB VAL 53 3.915 1.065 1.716 353 1HG1 VAL 53 1HG1 VAL 53 4.778 -0.809 0.440 354 2HG1 VAL 53 2HG1 VAL 53 3.303 -1.725 0.754 355 3HG1 VAL 53 3HG1 VAL 53 3.240 -0.262 -0.232 356 1HG2 VAL 53 1HG2 VAL 53 1.531 0.744 1.219 357 2HG2 VAL 53 2HG2 VAL 53 1.502 -0.658 2.288 358 3HG2 VAL 53 3HG2 VAL 53 1.822 0.947 2.948 359 HA PRO 54 HA PRO 54 4.712 2.075 6.372 360 1HB PRO 54 2HB PRO 54 5.658 4.408 5.315 361 1HG PRO 54 2HG PRO 54 5.823 3.796 3.090 362 1HD PRO 54 2HD PRO 54 5.651 1.601 2.418 363 H ALA 55 H ALA 55 2.966 3.060 7.129 364 HA ALA 55 HA ALA 55 0.733 3.633 5.532 365 1HB ALA 55 1HB ALA 55 1.305 4.526 8.352 366 2HB ALA 55 2HB ALA 55 -0.274 4.511 7.567 367 3HB ALA 55 3HB ALA 55 0.571 2.993 7.876 368 H ALA 56 H ALA 56 3.386 5.647 6.530 369 HA ALA 56 HA ALA 56 2.050 8.146 6.093 370 1HB ALA 56 1HB ALA 56 4.992 7.532 6.311 371 2HB ALA 56 2HB ALA 56 4.264 9.136 6.383 372 3HB ALA 56 3HB ALA 56 3.917 7.953 7.645 373 H TYR 57 H TYR 57 3.428 5.845 4.016 374 HA TYR 57 HA TYR 57 4.289 7.794 2.024 375 1HB TYR 57 2HB TYR 57 4.613 4.824 2.281 376 HD1 TYR 57 1HD TYR 57 7.114 5.274 0.348 377 HD2 TYR 57 2HD TYR 57 5.770 7.029 3.977 378 HE1 TYR 57 1HE TYR 57 9.427 5.860 0.912 379 HE2 TYR 57 2HE TYR 57 8.079 7.625 4.554 380 HH TYR 57 HH TYR 57 10.648 7.424 2.279 381 H VAL 58 H VAL 58 1.541 5.934 2.742 382 HA VAL 58 HA VAL 58 0.522 6.377 0.024 383 HB VAL 58 HB VAL 58 -1.092 4.564 0.453 384 1HG1 VAL 58 1HG1 VAL 58 0.945 4.006 -0.700 385 2HG1 VAL 58 2HG1 VAL 58 1.824 3.873 0.827 386 3HG1 VAL 58 3HG1 VAL 58 0.571 2.700 0.423 387 1HG2 VAL 58 1HG2 VAL 58 -1.187 4.746 2.902 388 2HG2 VAL 58 2HG2 VAL 58 -0.819 3.100 2.388 389 3HG2 VAL 58 3HG2 VAL 58 0.464 4.137 3.006 390 H LYS 59 H LYS 59 -1.657 7.060 -0.197 391 HA LYS 59 HA LYS 59 -2.623 8.569 2.147 392 1HB LYS 59 2HB LYS 59 -1.757 9.994 0.332 393 1HG LYS 59 2HG LYS 59 -4.753 10.107 0.572 394 1HD LYS 59 2HD LYS 59 -2.794 12.185 -0.397 395 1HE LYS 59 2HE LYS 59 -4.813 13.543 -0.784 396 1HZ LYS 59 1HZ LYS 59 -5.233 14.118 1.529 397 2HZ LYS 59 2HZ LYS 59 -3.573 13.906 1.244 398 3HZ LYS 59 3HZ LYS 59 -4.461 12.699 2.045 399 H LYS 60 H LYS 60 -4.802 8.547 2.588 400 HA LYS 60 HA LYS 60 -6.357 6.362 1.598 401 1HB LYS 60 2HB LYS 60 -7.106 8.741 3.317 402 1HG LYS 60 2HG LYS 60 -5.678 6.958 4.370 403 1HD LYS 60 2HD LYS 60 -6.493 4.944 3.404 404 1HE LYS 60 2HE LYS 60 -8.804 5.744 2.855 405 1HZ LYS 60 1HZ LYS 60 -10.422 5.126 4.767 406 2HZ LYS 60 2HZ LYS 60 -9.728 6.672 4.719 407 3HZ LYS 60 3HZ LYS 60 -9.105 5.497 5.770 408 H LEU 61 H LEU 61 -7.348 6.322 -0.303 409 HA LEU 61 HA LEU 61 -8.094 8.779 -1.654 410 1HB LEU 61 2HB LEU 61 -8.327 5.862 -2.352 411 HG LEU 61 HG LEU 61 -6.060 7.089 -2.660 412 1HD1 LEU 61 1HD1 LEU 61 -5.708 5.972 -4.815 413 2HD1 LEU 61 2HD1 LEU 61 -6.600 4.952 -3.688 414 3HD1 LEU 61 3HD1 LEU 61 -7.450 5.776 -4.993 415 1HD2 LEU 61 1HD2 LEU 61 -6.920 9.184 -3.550 416 2HD2 LEU 61 2HD2 LEU 61 -5.907 8.387 -4.750 417 3HD2 LEU 61 3HD2 LEU 61 -7.664 8.333 -4.903 418 H ASP 62 H ASP 62 -9.333 7.253 0.806 419 HA ASP 62 HA ASP 62 -12.127 7.265 0.044 420 1HB ASP 62 2HB ASP 62 -11.581 5.448 1.436 Start of MODEL 15 1 1H MET 1 1H MET 1 -14.500 -9.102 -5.277 2 2H MET 1 2H MET 1 -14.441 -7.995 -6.558 3 3H MET 1 3H MET 1 -13.042 -8.326 -5.663 4 HA MET 1 HA MET 1 -14.509 -10.233 -7.390 5 1HB MET 1 2HB MET 1 -12.521 -10.163 -8.825 6 1HG MET 1 2HG MET 1 -11.575 -7.861 -7.140 7 1HE MET 1 1HE MET 1 -9.475 -9.749 -10.793 8 2HE MET 1 2HE MET 1 -9.589 -10.531 -9.218 9 3HE MET 1 3HE MET 1 -11.040 -10.296 -10.193 10 H ASP 2 H ASP 2 -11.881 -9.677 -5.091 11 HA ASP 2 HA ASP 2 -11.920 -12.386 -4.220 12 1HB ASP 2 2HB ASP 2 -10.689 -12.668 -6.375 13 H GLU 3 H GLU 3 -11.416 -9.261 -3.723 14 HA GLU 3 HA GLU 3 -9.347 -9.616 -1.709 15 1HB GLU 3 2HB GLU 3 -9.011 -7.212 -1.771 16 1HG GLU 3 2HG GLU 3 -11.395 -6.521 -2.281 17 H THR 4 H THR 4 -10.183 -9.851 0.433 18 HA THR 4 HA THR 4 -12.940 -9.239 0.944 19 HB THR 4 HB THR 4 -11.029 -9.681 3.215 20 HG1 THR 4 1HG THR 4 -11.651 -11.504 1.121 21 1HG2 THR 4 1HG2 THR 4 -13.421 -9.414 3.640 22 2HG2 THR 4 2HG2 THR 4 -12.895 -11.053 4.028 23 3HG2 THR 4 3HG2 THR 4 -13.777 -10.738 2.533 24 H GLY 5 H GLY 5 -11.363 -7.012 0.050 25 1HA GLY 5 1HA GLY 5 -12.284 -4.941 1.620 26 2HA GLY 5 2HA GLY 5 -10.694 -5.327 2.269 27 H LYS 6 H LYS 6 -11.880 -3.024 0.672 28 HA LYS 6 HA LYS 6 -9.790 -2.995 -1.388 29 1HB LYS 6 2HB LYS 6 -11.937 -3.279 -2.476 30 1HG LYS 6 2HG LYS 6 -11.946 -1.494 -4.007 31 1HD LYS 6 2HD LYS 6 -9.612 -1.189 -4.593 32 1HE LYS 6 2HE LYS 6 -8.950 -3.568 -4.656 33 1HZ LYS 6 1HZ LYS 6 -11.804 -3.022 -5.262 34 2HZ LYS 6 2HZ LYS 6 -10.988 -4.432 -5.730 35 3HZ LYS 6 3HZ LYS 6 -10.484 -2.924 -6.327 36 H GLU 7 H GLU 7 -11.954 -0.403 -0.685 37 HA GLU 7 HA GLU 7 -11.786 1.539 0.463 38 1HB GLU 7 2HB GLU 7 -9.500 0.071 1.723 39 1HG GLU 7 2HG GLU 7 -10.696 0.715 3.795 40 H LEU 8 H LEU 8 -8.858 0.440 -1.136 41 HA LEU 8 HA LEU 8 -7.453 1.385 -2.610 42 1HB LEU 8 2HB LEU 8 -9.590 3.502 -2.754 43 HG LEU 8 HG LEU 8 -10.247 1.283 -3.684 44 1HD1 LEU 8 1HD1 LEU 8 -11.000 2.143 -5.840 45 2HD1 LEU 8 2HD1 LEU 8 -11.189 3.354 -4.572 46 3HD1 LEU 8 3HD1 LEU 8 -9.854 3.477 -5.715 47 1HD2 LEU 8 1HD2 LEU 8 -7.883 1.777 -5.490 48 2HD2 LEU 8 2HD2 LEU 8 -8.128 0.412 -4.399 49 3HD2 LEU 8 3HD2 LEU 8 -9.154 0.598 -5.820 50 H VAL 9 H VAL 9 -5.553 2.248 -2.211 51 HA VAL 9 HA VAL 9 -5.451 4.803 -0.773 52 HB VAL 9 HB VAL 9 -3.108 4.035 0.010 53 1HG1 VAL 9 1HG1 VAL 9 -4.069 3.040 2.058 54 2HG1 VAL 9 2HG1 VAL 9 -4.905 4.509 1.558 55 3HG1 VAL 9 3HG1 VAL 9 -5.628 2.930 1.245 56 1HG2 VAL 9 1HG2 VAL 9 -4.424 1.354 -0.427 57 2HG2 VAL 9 2HG2 VAL 9 -3.020 1.974 -1.297 58 3HG2 VAL 9 3HG2 VAL 9 -2.908 1.634 0.430 59 H LEU 10 H LEU 10 -3.915 6.250 -1.405 60 HA LEU 10 HA LEU 10 -3.000 5.844 -4.158 61 1HB LEU 10 2HB LEU 10 -4.346 7.700 -4.189 62 HG LEU 10 HG LEU 10 -1.639 8.801 -3.543 63 1HD1 LEU 10 1HD1 LEU 10 -1.640 9.368 -5.916 64 2HD1 LEU 10 2HD1 LEU 10 -1.888 7.640 -5.665 65 3HD1 LEU 10 3HD1 LEU 10 -3.253 8.676 -6.079 66 1HD2 LEU 10 1HD2 LEU 10 -3.234 10.450 -2.773 67 2HD2 LEU 10 2HD2 LEU 10 -2.461 10.999 -4.259 68 3HD2 LEU 10 3HD2 LEU 10 -4.104 10.355 -4.307 69 H ALA 11 H ALA 11 -0.893 5.435 -4.425 70 HA ALA 11 HA ALA 11 1.019 5.739 -2.357 71 1HB ALA 11 1HB ALA 11 1.215 4.047 -4.135 72 2HB ALA 11 2HB ALA 11 1.484 5.334 -5.311 73 3HB ALA 11 3HB ALA 11 2.656 5.061 -4.022 74 H LEU 12 H LEU 12 1.906 7.571 -1.681 75 HA LEU 12 HA LEU 12 1.759 9.986 -3.288 76 1HB LEU 12 2HB LEU 12 2.966 9.552 -0.553 77 HG LEU 12 HG LEU 12 0.529 9.109 -0.487 78 1HD1 LEU 12 1HD1 LEU 12 -0.016 10.752 1.242 79 2HD1 LEU 12 2HD1 LEU 12 1.627 10.140 1.429 80 3HD1 LEU 12 3HD1 LEU 12 1.354 11.740 0.740 81 1HD2 LEU 12 1HD2 LEU 12 -0.106 10.441 -2.444 82 2HD2 LEU 12 2HD2 LEU 12 -1.046 10.895 -1.024 83 3HD2 LEU 12 3HD2 LEU 12 0.283 11.920 -1.565 84 H TYR 13 H TYR 13 4.153 7.747 -2.117 85 HA TYR 13 HA TYR 13 6.234 9.233 -3.552 86 1HB TYR 13 2HB TYR 13 6.803 7.724 -1.003 87 HD1 TYR 13 1HD TYR 13 6.105 8.407 1.059 88 HD2 TYR 13 2HD TYR 13 6.112 11.255 -2.085 89 HE1 TYR 13 1HE TYR 13 5.164 10.079 2.591 90 HE2 TYR 13 2HE TYR 13 5.180 12.946 -0.570 91 HH TYR 13 HH TYR 13 3.884 13.045 1.500 92 H ASP 14 H ASP 14 8.050 7.813 -4.246 93 HA ASP 14 HA ASP 14 7.021 5.247 -5.070 94 1HB ASP 14 2HB ASP 14 9.110 5.115 -6.390 95 H TYR 15 H TYR 15 7.784 3.273 -4.393 96 HA TYR 15 HA TYR 15 9.552 3.376 -2.041 97 1HB TYR 15 2HB TYR 15 7.110 3.362 -1.429 98 HD1 TYR 15 1HD TYR 15 9.028 3.551 0.403 99 HD2 TYR 15 2HD TYR 15 7.217 -0.083 -0.866 100 HE1 TYR 15 1HE TYR 15 9.699 2.484 2.512 101 HE2 TYR 15 2HE TYR 15 7.906 -1.165 1.216 102 HH TYR 15 HH TYR 15 9.126 0.584 3.901 103 H GLN 16 H GLN 16 10.853 1.623 -1.713 104 HA GLN 16 HA GLN 16 10.614 -0.588 -3.627 105 1HB GLN 16 2HB GLN 16 12.911 1.129 -3.043 106 1HG GLN 16 2HG GLN 16 11.893 0.596 -5.313 107 1HE2 GLN 16 1HE2 GLN 16 11.646 -1.993 -3.836 108 2HE2 GLN 16 2HE2 GLN 16 12.036 -3.210 -5.007 109 H GLU 17 H GLU 17 10.236 -2.439 -2.729 110 HA GLU 17 HA GLU 17 10.209 -2.921 0.035 111 1HB GLU 17 2HB GLU 17 9.694 -5.203 -0.560 112 1HG GLU 17 2HG GLU 17 10.876 -4.524 -3.225 113 H LYS 18 H LYS 18 11.763 -3.554 1.428 114 HA LYS 18 HA LYS 18 14.351 -4.384 0.330 115 1HB LYS 18 2HB LYS 18 15.394 -3.436 2.123 116 1HG LYS 18 2HG LYS 18 13.073 -4.239 3.828 117 1HD LYS 18 2HD LYS 18 14.073 -2.038 4.499 118 1HE LYS 18 2HE LYS 18 16.386 -2.583 3.767 119 1HZ LYS 18 1HZ LYS 18 16.438 -4.224 6.242 120 2HZ LYS 18 2HZ LYS 18 17.775 -3.856 5.264 121 3HZ LYS 18 3HZ LYS 18 16.524 -4.829 4.660 122 H SER 19 H SER 19 11.587 -5.721 1.581 123 HA SER 19 HA SER 19 12.930 -8.243 2.151 124 1HB SER 19 2HB SER 19 11.627 -8.526 4.243 125 HG SER 19 HG SER 19 10.846 -5.809 3.860 126 HA PRO 20 HA PRO 20 9.592 -9.925 -0.244 127 1HB PRO 20 2HB PRO 20 8.990 -12.213 1.182 128 1HG PRO 20 2HG PRO 20 10.378 -11.853 3.001 129 1HD PRO 20 2HD PRO 20 12.076 -10.268 2.967 130 H ALA 21 H ALA 21 9.127 -9.030 3.014 131 HA ALA 21 HA ALA 21 6.271 -9.547 3.020 132 1HB ALA 21 1HB ALA 21 6.312 -8.612 5.280 133 2HB ALA 21 2HB ALA 21 7.532 -9.871 5.089 134 3HB ALA 21 3HB ALA 21 8.008 -8.173 5.071 135 H GLU 22 H GLU 22 8.336 -7.182 1.888 136 HA GLU 22 HA GLU 22 6.348 -5.033 2.113 137 1HB GLU 22 2HB GLU 22 9.247 -5.063 1.283 138 1HG GLU 22 2HG GLU 22 7.971 -3.403 3.406 139 H VAL 23 H VAL 23 6.013 -3.719 0.100 140 HA VAL 23 HA VAL 23 6.488 -5.301 -2.338 141 HB VAL 23 HB VAL 23 4.367 -5.050 -3.194 142 1HG1 VAL 23 1HG1 VAL 23 3.848 -5.132 -0.243 143 2HG1 VAL 23 2HG1 VAL 23 2.724 -5.625 -1.508 144 3HG1 VAL 23 3HG1 VAL 23 4.229 -6.507 -1.275 145 1HG2 VAL 23 1HG2 VAL 23 3.985 -2.732 -1.340 146 2HG2 VAL 23 2HG2 VAL 23 4.102 -2.702 -3.094 147 3HG2 VAL 23 3HG2 VAL 23 2.693 -3.422 -2.314 148 H THR 24 H THR 24 6.881 -4.128 -4.194 149 HA THR 24 HA THR 24 7.846 -1.429 -3.814 150 HB THR 24 HB THR 24 7.877 -3.191 -6.273 151 HG1 THR 24 1HG THR 24 9.089 -4.088 -4.558 152 1HG2 THR 24 1HG2 THR 24 9.630 -1.697 -7.077 153 2HG2 THR 24 2HG2 THR 24 9.460 -0.700 -5.632 154 3HG2 THR 24 3HG2 THR 24 8.135 -0.807 -6.791 155 H MET 25 H MET 25 6.937 0.403 -4.650 156 HA MET 25 HA MET 25 4.695 0.203 -6.502 157 1HB MET 25 2HB MET 25 3.203 1.522 -5.131 158 1HG MET 25 2HG MET 25 5.321 1.449 -2.989 159 1HE MET 25 1HE MET 25 3.405 3.747 -0.428 160 2HE MET 25 2HE MET 25 4.933 2.950 -0.801 161 3HE MET 25 3HE MET 25 4.378 4.300 -1.792 162 H LYS 26 H LYS 26 4.241 2.165 -7.581 163 HA LYS 26 HA LYS 26 6.250 4.268 -7.184 164 1HB LYS 26 2HB LYS 26 5.046 3.086 -9.619 165 1HG LYS 26 2HG LYS 26 7.489 2.926 -9.041 166 1HD LYS 26 2HD LYS 26 7.395 5.845 -9.808 167 1HE LYS 26 2HE LYS 26 9.312 4.686 -10.825 168 1HZ LYS 26 1HZ LYS 26 9.840 3.861 -8.032 169 2HZ LYS 26 2HZ LYS 26 11.080 3.973 -9.177 170 3HZ LYS 26 3HZ LYS 26 9.790 2.899 -9.429 171 H LYS 27 H LYS 27 5.531 6.442 -7.124 172 HA LYS 27 HA LYS 27 2.989 6.724 -5.943 173 1HB LYS 27 2HB LYS 27 3.452 8.992 -5.637 174 1HG LYS 27 2HG LYS 27 4.334 9.094 -8.221 175 1HD LYS 27 2HD LYS 27 6.644 9.427 -6.328 176 1HE LYS 27 2HE LYS 27 6.569 10.311 -9.201 177 1HZ LYS 27 1HZ LYS 27 8.628 11.487 -8.440 178 2HZ LYS 27 2HZ LYS 27 8.762 9.800 -8.526 179 3HZ LYS 27 3HZ LYS 27 8.570 10.559 -7.023 180 H GLY 28 H GLY 28 1.185 7.828 -6.641 181 1HA GLY 28 1HA GLY 28 -0.294 8.611 -8.315 182 2HA GLY 28 2HA GLY 28 0.884 8.150 -9.538 183 H ASP 29 H ASP 29 1.072 5.513 -7.877 184 HA ASP 29 HA ASP 29 -0.941 4.089 -9.369 185 1HB ASP 29 2HB ASP 29 1.130 3.188 -7.366 186 H ILE 30 H ILE 30 -2.811 3.219 -8.612 187 HA ILE 30 HA ILE 30 -3.584 3.934 -5.871 188 HB ILE 30 HB ILE 30 -5.375 2.868 -8.059 189 1HG1 ILE 30 2HG1 ILE 30 -4.423 4.988 -8.810 190 1HG2 ILE 30 1HG2 ILE 30 -6.212 2.582 -5.790 191 2HG2 ILE 30 2HG2 ILE 30 -5.995 4.305 -5.482 192 3HG2 ILE 30 3HG2 ILE 30 -7.174 3.764 -6.677 193 1HD1 ILE 30 1HD1 ILE 30 -3.777 5.968 -6.674 194 2HD1 ILE 30 2HD1 ILE 30 -4.775 7.066 -7.627 195 3HD1 ILE 30 3HD1 ILE 30 -5.478 6.193 -6.266 196 H LEU 31 H LEU 31 -3.411 2.379 -4.373 197 HA LEU 31 HA LEU 31 -3.161 -0.399 -5.309 198 1HB LEU 31 2HB LEU 31 -2.602 0.270 -2.483 199 HG LEU 31 HG LEU 31 -1.364 2.119 -3.353 200 1HD1 LEU 31 1HD1 LEU 31 0.899 1.437 -2.780 201 2HD1 LEU 31 2HD1 LEU 31 -0.275 0.711 -1.683 202 3HD1 LEU 31 3HD1 LEU 31 0.442 -0.258 -2.972 203 1HD2 LEU 31 1HD2 LEU 31 -1.327 1.469 -5.718 204 2HD2 LEU 31 2HD2 LEU 31 0.280 1.900 -5.129 205 3HD2 LEU 31 3HD2 LEU 31 -0.156 0.206 -5.343 206 H THR 32 H THR 32 -4.156 -2.084 -4.040 207 HA THR 32 HA THR 32 -6.711 -1.320 -2.902 208 HB THR 32 HB THR 32 -5.452 -4.052 -3.240 209 HG1 THR 32 1HG THR 32 -6.447 -4.115 -5.147 210 1HG2 THR 32 1HG2 THR 32 -7.096 -3.995 -1.423 211 2HG2 THR 32 2HG2 THR 32 -7.701 -4.914 -2.806 212 3HG2 THR 32 3HG2 THR 32 -8.285 -3.265 -2.520 213 H LEU 33 H LEU 33 -7.140 -1.232 -0.752 214 HA LEU 33 HA LEU 33 -4.910 -1.618 1.041 215 1HB LEU 33 2HB LEU 33 -7.107 0.150 0.979 216 HG LEU 33 HG LEU 33 -5.078 1.049 1.695 217 1HD1 LEU 33 1HD1 LEU 33 -5.534 1.896 3.941 218 2HD1 LEU 33 2HD1 LEU 33 -6.958 1.954 2.899 219 3HD1 LEU 33 3HD1 LEU 33 -6.813 0.693 4.125 220 1HD2 LEU 33 1HD2 LEU 33 -4.970 -1.093 3.813 221 2HD2 LEU 33 2HD2 LEU 33 -3.964 -0.998 2.367 222 3HD2 LEU 33 3HD2 LEU 33 -3.817 0.228 3.629 223 H LEU 34 H LEU 34 -4.648 -3.298 2.230 224 HA LEU 34 HA LEU 34 -6.803 -5.267 2.489 225 1HB LEU 34 2HB LEU 34 -3.808 -5.494 2.776 226 HG LEU 34 HG LEU 34 -4.595 -5.293 0.407 227 1HD1 LEU 34 1HD1 LEU 34 -3.419 -7.341 -0.368 228 2HD1 LEU 34 2HD1 LEU 34 -2.543 -6.448 0.876 229 3HD1 LEU 34 3HD1 LEU 34 -3.415 -7.920 1.300 230 1HD2 LEU 34 1HD2 LEU 34 -5.990 -7.903 0.991 231 2HD2 LEU 34 2HD2 LEU 34 -6.779 -6.358 0.666 232 3HD2 LEU 34 3HD2 LEU 34 -5.815 -7.135 -0.590 233 H ASN 35 H ASN 35 -4.594 -3.243 4.276 234 HA ASN 35 HA ASN 35 -6.092 -3.676 6.715 235 1HB ASN 35 2HB ASN 35 -4.629 -5.326 7.334 236 1HD2 ASN 35 1HD2 ASN 35 -2.084 -2.923 7.073 237 2HD2 ASN 35 2HD2 ASN 35 -1.914 -2.669 8.772 238 H SER 36 H SER 36 -6.203 -1.851 7.894 239 HA SER 36 HA SER 36 -4.050 0.118 7.640 240 1HB SER 36 2HB SER 36 -5.921 1.908 7.597 241 HG SER 36 HG SER 36 -7.328 -0.244 6.386 242 H THR 37 H THR 37 -5.534 -1.809 9.671 243 HA THR 37 HA THR 37 -6.223 0.054 11.761 244 HB THR 37 HB THR 37 -7.416 -2.097 11.556 245 HG1 THR 37 1HG THR 37 -6.881 -0.934 13.682 246 1HG2 THR 37 1HG2 THR 37 -5.536 -3.500 10.835 247 2HG2 THR 37 2HG2 THR 37 -6.334 -4.181 12.254 248 3HG2 THR 37 3HG2 THR 37 -4.799 -3.332 12.427 249 H ASN 38 H ASN 38 -3.384 -1.455 10.643 250 HA ASN 38 HA ASN 38 -1.912 -1.250 13.125 251 1HB ASN 38 2HB ASN 38 -1.419 -2.953 11.307 252 1HD2 ASN 38 1HD2 ASN 38 1.156 -2.810 10.286 253 2HD2 ASN 38 2HD2 ASN 38 2.258 -2.738 11.626 254 H LYS 39 H LYS 39 -0.534 0.429 13.715 255 HA LYS 39 HA LYS 39 -1.154 2.935 12.459 256 1HB LYS 39 2HB LYS 39 -0.118 3.995 14.293 257 1HG LYS 39 2HG LYS 39 1.244 1.438 15.106 258 1HD LYS 39 2HD LYS 39 1.418 4.279 16.093 259 1HE LYS 39 2HE LYS 39 3.009 3.396 17.743 260 1HZ LYS 39 1HZ LYS 39 3.896 2.888 14.951 261 2HZ LYS 39 2HZ LYS 39 4.900 3.198 16.280 262 3HZ LYS 39 3HZ LYS 39 3.862 4.409 15.705 263 H ASP 40 H ASP 40 1.318 0.646 11.978 264 HA ASP 40 HA ASP 40 3.099 2.736 10.899 265 1HB ASP 40 2HB ASP 40 3.838 0.001 11.954 266 H TRP 41 H TRP 41 2.645 -0.755 10.441 267 HA TRP 41 HA TRP 41 3.233 -0.382 7.608 268 1HB TRP 41 2HB TRP 41 3.228 -2.822 9.378 269 HD1 TRP 41 HD TRP 41 5.292 -2.080 10.821 270 HE1 TRP 41 1HE TRP 41 7.765 -1.620 10.272 271 HE3 TRP 41 3HE TRP 41 4.971 -1.928 5.724 272 HZ2 TRP 41 2HZ TRP 41 9.362 -1.236 7.975 273 HZ3 TRP 41 3HZ TRP 41 7.016 -1.509 4.424 274 HH2 TRP 41 HH TRP 41 9.167 -1.167 5.529 275 H TRP 42 H TRP 42 1.686 -0.339 6.187 276 HA TRP 42 HA TRP 42 -0.906 -1.547 6.844 277 1HB TRP 42 2HB TRP 42 -0.082 0.571 4.872 278 HD1 TRP 42 HD TRP 42 -0.713 0.237 8.316 279 HE1 TRP 42 1HE TRP 42 -1.975 2.237 9.319 280 HE3 TRP 42 3HE TRP 42 -2.486 2.250 4.015 281 HZ2 TRP 42 2HZ TRP 42 -3.527 4.409 8.383 282 HZ3 TRP 42 3HZ TRP 42 -3.872 4.306 4.129 283 HH2 TRP 42 HH TRP 42 -4.358 5.356 6.279 284 H LYS 43 H LYS 43 -1.976 -2.805 5.223 285 HA LYS 43 HA LYS 43 -0.034 -4.351 3.642 286 1HB LYS 43 2HB LYS 43 -1.543 -5.398 5.546 287 1HG LYS 43 2HG LYS 43 -1.456 -6.784 2.880 288 1HD LYS 43 2HD LYS 43 -1.241 -7.925 5.677 289 1HE LYS 43 2HE LYS 43 -0.439 -9.457 3.909 290 1HZ LYS 43 1HZ LYS 43 -3.190 -9.263 2.806 291 2HZ LYS 43 2HZ LYS 43 -1.941 -10.262 2.243 292 3HZ LYS 43 3HZ LYS 43 -1.821 -8.583 2.081 293 H VAL 44 H VAL 44 -0.192 -4.243 1.512 294 HA VAL 44 HA VAL 44 -2.736 -3.393 0.323 295 HB VAL 44 HB VAL 44 -1.492 -1.890 -1.240 296 1HG1 VAL 44 1HG1 VAL 44 -1.238 -0.028 0.338 297 2HG1 VAL 44 2HG1 VAL 44 -2.715 -0.944 0.635 298 3HG1 VAL 44 3HG1 VAL 44 -1.314 -1.167 1.681 299 1HG2 VAL 44 1HG2 VAL 44 0.727 -2.878 -0.931 300 2HG2 VAL 44 2HG2 VAL 44 0.744 -1.138 -0.642 301 3HG2 VAL 44 3HG2 VAL 44 0.770 -2.259 0.717 302 H GLU 45 H GLU 45 -2.830 -3.789 -1.989 303 HA GLU 45 HA GLU 45 -0.937 -5.860 -2.884 304 1HB GLU 45 2HB GLU 45 -3.181 -6.794 -2.606 305 1HG GLU 45 2HG GLU 45 -2.531 -6.387 -5.520 306 H VAL 46 H VAL 46 0.278 -5.305 -4.549 307 HA VAL 46 HA VAL 46 -0.646 -3.205 -6.384 308 HB VAL 46 HB VAL 46 2.225 -3.189 -5.640 309 1HG1 VAL 46 1HG1 VAL 46 1.703 -1.671 -7.324 310 2HG1 VAL 46 2HG1 VAL 46 0.216 -1.163 -6.520 311 3HG1 VAL 46 3HG1 VAL 46 1.780 -0.687 -5.862 312 1HG2 VAL 46 1HG2 VAL 46 1.848 -1.634 -3.774 313 2HG2 VAL 46 2HG2 VAL 46 0.118 -1.964 -3.880 314 3HG2 VAL 46 3HG2 VAL 46 1.236 -3.254 -3.446 315 H ASN 47 H ASN 47 -0.209 -3.649 -8.452 316 HA ASN 47 HA ASN 47 0.200 -4.828 -10.286 317 1HB ASN 47 2HB ASN 47 2.492 -5.501 -10.799 318 1HD2 ASN 47 1HD2 ASN 47 3.619 -3.486 -8.277 319 2HD2 ASN 47 2HD2 ASN 47 4.611 -4.671 -7.488 320 H ASP 48 H ASP 48 1.973 -6.970 -8.033 321 HA ASP 48 HA ASP 48 -0.085 -8.967 -8.320 322 1HB ASP 48 2HB ASP 48 1.371 -9.187 -10.373 323 H ARG 49 H ARG 49 1.750 -7.349 -6.370 324 HA ARG 49 HA ARG 49 2.562 -9.658 -4.744 325 1HB ARG 49 2HB ARG 49 4.443 -8.369 -5.770 326 1HG ARG 49 2HG ARG 49 4.861 -7.634 -2.986 327 1HD ARG 49 2HD ARG 49 6.803 -9.135 -3.265 328 HE ARG 49 HE ARG 49 7.308 -6.963 -4.139 329 1HH1 ARG 49 2HH1 ARG 49 6.148 -9.225 -6.570 330 2HH1 ARG 49 1HH1 ARG 49 6.827 -8.326 -7.892 331 1HH2 ARG 49 2HH2 ARG 49 8.214 -5.829 -5.853 332 2HH2 ARG 49 1HH2 ARG 49 8.013 -6.397 -7.490 333 H GLN 50 H GLN 50 1.357 -9.816 -2.976 334 HA GLN 50 HA GLN 50 0.195 -7.438 -1.741 335 1HB GLN 50 2HB GLN 50 0.003 -10.326 -0.839 336 1HG GLN 50 2HG GLN 50 -2.344 -10.290 -1.620 337 1HE2 GLN 50 1HE2 GLN 50 -2.572 -9.761 -4.415 338 2HE2 GLN 50 2HE2 GLN 50 -1.528 -10.891 -5.221 339 H GLY 51 H GLY 51 0.895 -6.582 0.163 340 1HA GLY 51 1HA GLY 51 2.550 -7.891 2.023 341 2HA GLY 51 2HA GLY 51 3.566 -7.003 0.895 342 H PHE 52 H PHE 52 4.270 -5.706 2.646 343 HA PHE 52 HA PHE 52 2.235 -3.871 3.701 344 1HB PHE 52 2HB PHE 52 4.827 -4.867 4.858 345 HD1 PHE 52 1HD PHE 52 1.695 -3.675 6.402 346 HD2 PHE 52 2HD PHE 52 4.142 -7.029 5.476 347 HE1 PHE 52 1HE PHE 52 0.300 -5.083 7.852 348 HE2 PHE 52 2HE PHE 52 2.745 -8.449 6.921 349 HZ PHE 52 HZ PHE 52 0.824 -7.471 8.118 350 H VAL 53 H VAL 53 2.634 -1.718 3.889 351 HA VAL 53 HA VAL 53 5.109 -0.569 2.795 352 HB VAL 53 HB VAL 53 3.811 1.251 1.710 353 1HG1 VAL 53 1HG1 VAL 53 4.640 -0.578 0.356 354 2HG1 VAL 53 2HG1 VAL 53 3.165 -1.495 0.674 355 3HG1 VAL 53 3HG1 VAL 53 3.090 0.003 -0.258 356 1HG2 VAL 53 1HG2 VAL 53 1.419 0.907 1.240 357 2HG2 VAL 53 2HG2 VAL 53 1.430 -0.498 2.306 358 3HG2 VAL 53 3HG2 VAL 53 1.751 1.109 2.960 359 HA PRO 54 HA PRO 54 4.592 2.119 6.338 360 1HB PRO 54 2HB PRO 54 5.495 4.479 5.002 361 1HG PRO 54 2HG PRO 54 6.995 3.701 3.484 362 1HD PRO 54 2HD PRO 54 5.370 2.434 2.481 363 H ALA 55 H ALA 55 2.811 3.042 7.110 364 HA ALA 55 HA ALA 55 0.602 3.783 5.598 365 1HB ALA 55 1HB ALA 55 1.348 4.726 8.367 366 2HB ALA 55 2HB ALA 55 -0.264 4.773 7.654 367 3HB ALA 55 3HB ALA 55 0.514 3.223 7.975 368 H ALA 56 H ALA 56 3.379 5.665 6.540 369 HA ALA 56 HA ALA 56 2.184 8.225 6.060 370 1HB ALA 56 1HB ALA 56 4.429 9.102 6.439 371 2HB ALA 56 2HB ALA 56 3.971 7.948 7.691 372 3HB ALA 56 3HB ALA 56 5.080 7.462 6.409 373 H TYR 57 H TYR 57 3.162 5.852 3.975 374 HA TYR 57 HA TYR 57 4.175 7.760 1.982 375 1HB TYR 57 2HB TYR 57 4.582 4.820 2.348 376 HD1 TYR 57 1HD TYR 57 6.961 5.359 0.225 377 HD2 TYR 57 2HD TYR 57 5.769 7.024 3.947 378 HE1 TYR 57 1HE TYR 57 9.282 6.051 0.647 379 HE2 TYR 57 2HE TYR 57 8.081 7.716 4.386 380 HH TYR 57 HH TYR 57 10.447 7.847 2.051 381 H VAL 58 H VAL 58 1.465 5.900 2.775 382 HA VAL 58 HA VAL 58 0.398 6.324 0.072 383 HB VAL 58 HB VAL 58 -1.200 4.517 0.502 384 1HG1 VAL 58 1HG1 VAL 58 0.444 2.637 0.471 385 2HG1 VAL 58 2HG1 VAL 58 0.820 3.944 -0.656 386 3HG1 VAL 58 3HG1 VAL 58 1.708 3.807 0.865 387 1HG2 VAL 58 1HG2 VAL 58 -0.925 3.038 2.434 388 2HG2 VAL 58 2HG2 VAL 58 0.335 4.100 3.067 389 3HG2 VAL 58 3HG2 VAL 58 -1.325 4.682 2.937 390 H LYS 59 H LYS 59 -1.727 7.065 -0.118 391 HA LYS 59 HA LYS 59 -2.628 8.591 2.229 392 1HB LYS 59 2HB LYS 59 -1.814 9.873 0.220 393 1HG LYS 59 2HG LYS 59 -4.740 10.272 0.795 394 1HD LYS 59 2HD LYS 59 -2.646 11.910 -0.610 395 1HE LYS 59 2HE LYS 59 -5.266 12.953 0.458 396 1HZ LYS 59 1HZ LYS 59 -4.631 14.004 -1.588 397 2HZ LYS 59 2HZ LYS 59 -3.055 14.261 -1.029 398 3HZ LYS 59 3HZ LYS 59 -4.352 15.085 -0.316 399 H LYS 60 H LYS 60 -4.743 8.486 2.815 400 HA LYS 60 HA LYS 60 -6.120 6.102 1.969 401 1HB LYS 60 2HB LYS 60 -6.013 7.096 4.371 402 1HG LYS 60 2HG LYS 60 -8.690 6.651 4.559 403 1HD LYS 60 2HD LYS 60 -6.584 4.535 4.336 404 1HE LYS 60 2HE LYS 60 -8.033 3.445 6.067 405 1HZ LYS 60 1HZ LYS 60 -8.214 2.958 3.602 406 2HZ LYS 60 2HZ LYS 60 -9.616 3.914 3.617 407 3HZ LYS 60 3HZ LYS 60 -9.529 2.518 4.572 408 H LEU 61 H LEU 61 -7.096 6.223 0.015 409 HA LEU 61 HA LEU 61 -8.553 8.586 -0.806 410 1HB LEU 61 2HB LEU 61 -8.242 5.861 -2.086 411 HG LEU 61 HG LEU 61 -6.143 7.263 -2.193 412 1HD1 LEU 61 1HD1 LEU 61 -5.844 6.931 -4.594 413 2HD1 LEU 61 2HD1 LEU 61 -6.658 5.553 -3.852 414 3HD1 LEU 61 3HD1 LEU 61 -7.585 6.724 -4.788 415 1HD2 LEU 61 1HD2 LEU 61 -7.961 9.091 -3.768 416 2HD2 LEU 61 2HD2 LEU 61 -7.075 9.481 -2.293 417 3HD2 LEU 61 3HD2 LEU 61 -6.197 9.166 -3.790 418 H ASP 62 H ASP 62 -9.643 8.164 1.342 419 HA ASP 62 HA ASP 62 -12.156 6.823 1.155 420 1HB ASP 62 2HB ASP 62 -10.667 4.850 1.413 Start of MODEL 16 1 1H MET 1 1H MET 1 -17.008 -5.016 -4.243 2 2H MET 1 2H MET 1 -15.317 -5.035 -4.174 3 3H MET 1 3H MET 1 -16.195 -3.959 -3.196 4 HA MET 1 HA MET 1 -17.143 -5.774 -1.969 5 1HB MET 1 2HB MET 1 -17.126 -7.417 -3.801 6 1HG MET 1 2HG MET 1 -16.348 -9.404 -2.616 7 1HE MET 1 1HE MET 1 -18.955 -9.586 -2.896 8 2HE MET 1 2HE MET 1 -20.118 -8.637 -1.970 9 3HE MET 1 3HE MET 1 -19.070 -7.844 -3.148 10 H ASP 2 H ASP 2 -13.791 -6.527 -2.994 11 HA ASP 2 HA ASP 2 -12.824 -5.310 -0.516 12 1HB ASP 2 2HB ASP 2 -13.361 -7.698 0.071 13 H GLU 3 H GLU 3 -12.597 -4.934 -3.449 14 HA GLU 3 HA GLU 3 -9.968 -4.033 -3.456 15 1HB GLU 3 2HB GLU 3 -9.171 -5.455 -5.504 16 1HG GLU 3 2HG GLU 3 -9.536 -7.892 -5.047 17 H THR 4 H THR 4 -11.959 -5.321 -6.170 18 HA THR 4 HA THR 4 -11.919 -2.802 -7.515 19 HB THR 4 HB THR 4 -14.168 -4.740 -7.991 20 HG1 THR 4 1HG THR 4 -12.261 -6.058 -7.798 21 1HG2 THR 4 1HG2 THR 4 -12.384 -3.094 -9.794 22 2HG2 THR 4 2HG2 THR 4 -14.037 -2.701 -9.318 23 3HG2 THR 4 3HG2 THR 4 -13.721 -4.113 -10.328 24 H GLY 5 H GLY 5 -12.467 -1.736 -5.311 25 1HA GLY 5 1HA GLY 5 -14.428 -0.149 -5.046 26 2HA GLY 5 2HA GLY 5 -15.389 -1.617 -4.929 27 H LYS 6 H LYS 6 -13.314 0.562 -3.324 28 HA LYS 6 HA LYS 6 -14.203 0.018 -0.771 29 1HB LYS 6 2HB LYS 6 -12.433 -1.156 0.332 30 1HG LYS 6 2HG LYS 6 -11.003 -1.813 -2.204 31 1HD LYS 6 2HD LYS 6 -9.253 -2.461 -0.778 32 1HE LYS 6 2HE LYS 6 -11.871 -3.121 0.565 33 1HZ LYS 6 1HZ LYS 6 -10.567 -4.997 1.547 34 2HZ LYS 6 2HZ LYS 6 -10.293 -3.474 2.244 35 3HZ LYS 6 3HZ LYS 6 -9.155 -4.129 1.172 36 H GLU 7 H GLU 7 -11.973 0.631 0.768 37 HA GLU 7 HA GLU 7 -11.782 3.353 0.648 38 1HB GLU 7 2HB GLU 7 -9.727 1.397 1.693 39 1HG GLU 7 2HG GLU 7 -10.589 2.077 3.899 40 H LEU 8 H LEU 8 -9.401 1.050 -0.644 41 HA LEU 8 HA LEU 8 -7.659 1.249 -2.071 42 1HB LEU 8 2HB LEU 8 -9.366 3.482 -3.157 43 HG LEU 8 HG LEU 8 -10.280 1.173 -3.473 44 1HD1 LEU 8 1HD1 LEU 8 -9.364 2.557 -5.989 45 2HD1 LEU 8 2HD1 LEU 8 -10.716 1.434 -5.846 46 3HD1 LEU 8 3HD1 LEU 8 -10.782 2.998 -5.035 47 1HD2 LEU 8 1HD2 LEU 8 -7.754 0.810 -5.084 48 2HD2 LEU 8 2HD2 LEU 8 -8.204 -0.073 -3.625 49 3HD2 LEU 8 3HD2 LEU 8 -9.139 -0.284 -5.105 50 H VAL 9 H VAL 9 -5.666 2.225 -2.254 51 HA VAL 9 HA VAL 9 -5.390 4.791 -0.860 52 HB VAL 9 HB VAL 9 -3.126 3.958 -0.050 53 1HG1 VAL 9 1HG1 VAL 9 -4.999 4.310 1.455 54 2HG1 VAL 9 2HG1 VAL 9 -5.621 2.701 1.078 55 3HG1 VAL 9 3HG1 VAL 9 -4.086 2.875 1.928 56 1HG2 VAL 9 1HG2 VAL 9 -2.896 1.535 0.243 57 2HG2 VAL 9 2HG2 VAL 9 -4.379 1.288 -0.679 58 3HG2 VAL 9 3HG2 VAL 9 -2.958 1.982 -1.463 59 H LEU 10 H LEU 10 -3.955 6.205 -1.655 60 HA LEU 10 HA LEU 10 -2.945 5.607 -4.335 61 1HB LEU 10 2HB LEU 10 -4.237 7.489 -4.519 62 HG LEU 10 HG LEU 10 -1.522 8.557 -3.866 63 1HD1 LEU 10 1HD1 LEU 10 -3.069 8.248 -6.427 64 2HD1 LEU 10 2HD1 LEU 10 -1.463 8.960 -6.283 65 3HD1 LEU 10 3HD1 LEU 10 -1.710 7.258 -5.896 66 1HD2 LEU 10 1HD2 LEU 10 -3.918 10.108 -4.827 67 2HD2 LEU 10 2HD2 LEU 10 -3.098 10.297 -3.276 68 3HD2 LEU 10 3HD2 LEU 10 -2.260 10.711 -4.771 69 H ALA 11 H ALA 11 -0.833 5.255 -4.596 70 HA ALA 11 HA ALA 11 1.038 5.516 -2.476 71 1HB ALA 11 1HB ALA 11 1.234 3.813 -4.245 72 2HB ALA 11 2HB ALA 11 1.537 5.090 -5.424 73 3HB ALA 11 3HB ALA 11 2.692 4.802 -4.120 74 H LEU 12 H LEU 12 1.847 7.399 -1.774 75 HA LEU 12 HA LEU 12 1.784 9.747 -3.480 76 1HB LEU 12 2HB LEU 12 2.913 9.500 -0.696 77 HG LEU 12 HG LEU 12 0.490 8.890 -0.695 78 1HD1 LEU 12 1HD1 LEU 12 1.166 11.546 0.555 79 2HD1 LEU 12 2HD1 LEU 12 -0.117 10.449 1.065 80 3HD1 LEU 12 3HD1 LEU 12 1.575 9.964 1.221 81 1HD2 LEU 12 1HD2 LEU 12 0.175 11.689 -1.785 82 2HD2 LEU 12 2HD2 LEU 12 -0.221 10.190 -2.626 83 3HD2 LEU 12 3HD2 LEU 12 -1.137 10.666 -1.196 84 H TYR 13 H TYR 13 4.130 7.604 -2.026 85 HA TYR 13 HA TYR 13 6.274 9.013 -3.466 86 1HB TYR 13 2HB TYR 13 6.769 7.359 -0.997 87 HD1 TYR 13 1HD TYR 13 6.381 8.055 1.231 88 HD2 TYR 13 2HD TYR 13 5.890 10.840 -1.943 89 HE1 TYR 13 1HE TYR 13 5.435 9.683 2.811 90 HE2 TYR 13 2HE TYR 13 4.951 12.475 -0.373 91 HH TYR 13 HH TYR 13 3.843 12.529 1.785 92 H ASP 14 H ASP 14 7.912 7.654 -4.366 93 HA ASP 14 HA ASP 14 7.015 5.022 -5.094 94 1HB ASP 14 2HB ASP 14 9.166 4.904 -6.324 95 H TYR 15 H TYR 15 7.755 3.105 -4.299 96 HA TYR 15 HA TYR 15 9.510 3.301 -1.948 97 1HB TYR 15 2HB TYR 15 7.116 3.244 -1.267 98 HD1 TYR 15 1HD TYR 15 9.141 3.315 0.468 99 HD2 TYR 15 2HD TYR 15 7.126 -0.212 -0.786 100 HE1 TYR 15 1HE TYR 15 9.858 2.185 2.521 101 HE2 TYR 15 2HE TYR 15 7.854 -1.359 1.263 102 HH TYR 15 HH TYR 15 9.587 -1.196 2.948 103 H GLN 16 H GLN 16 11.183 2.033 -2.173 104 HA GLN 16 HA GLN 16 10.892 -0.448 -3.705 105 1HB GLN 16 2HB GLN 16 12.769 1.033 -4.338 106 1HG GLN 16 2HG GLN 16 14.535 -0.549 -4.389 107 1HE2 GLN 16 1HE2 GLN 16 12.111 -2.762 -3.257 108 2HE2 GLN 16 2HE2 GLN 16 11.552 -3.281 -4.817 109 H GLU 17 H GLU 17 10.203 -2.040 -2.518 110 HA GLU 17 HA GLU 17 10.157 -2.363 0.185 111 1HB GLU 17 2HB GLU 17 9.855 -4.741 -0.214 112 1HG GLU 17 2HG GLU 17 10.985 -4.161 -2.932 113 H LYS 18 H LYS 18 11.529 -2.866 1.759 114 HA LYS 18 HA LYS 18 14.317 -3.442 1.056 115 1HB LYS 18 2HB LYS 18 13.162 -2.874 3.793 116 1HG LYS 18 2HG LYS 18 14.243 -0.879 1.815 117 1HD LYS 18 2HD LYS 18 13.635 0.747 3.641 118 1HE LYS 18 2HE LYS 18 15.703 0.358 4.945 119 1HZ LYS 18 1HZ LYS 18 15.921 1.432 2.827 120 2HZ LYS 18 2HZ LYS 18 15.947 -0.056 2.017 121 3HZ LYS 18 3HZ LYS 18 17.230 0.372 3.042 122 H SER 19 H SER 19 11.540 -5.076 1.783 123 HA SER 19 HA SER 19 12.939 -7.449 2.723 124 1HB SER 19 2HB SER 19 10.486 -6.383 4.149 125 HG SER 19 HG SER 19 11.948 -4.985 4.824 126 HA PRO 20 HA PRO 20 10.225 -9.354 -0.205 127 1HB PRO 20 2HB PRO 20 9.787 -11.784 1.065 128 1HG PRO 20 2HG PRO 20 10.989 -11.458 2.993 129 1HD PRO 20 2HD PRO 20 12.229 -9.546 3.331 130 H ALA 21 H ALA 21 9.187 -9.205 3.152 131 HA ALA 21 HA ALA 21 6.436 -9.781 2.611 132 1HB ALA 21 1HB ALA 21 6.026 -9.014 4.889 133 2HB ALA 21 2HB ALA 21 7.396 -10.125 4.835 134 3HB ALA 21 3HB ALA 21 7.674 -8.387 4.983 135 H GLU 22 H GLU 22 8.393 -7.136 2.002 136 HA GLU 22 HA GLU 22 6.246 -5.157 2.126 137 1HB GLU 22 2HB GLU 22 9.192 -4.990 1.496 138 1HG GLU 22 2HG GLU 22 7.686 -3.502 3.601 139 H VAL 23 H VAL 23 6.104 -3.702 0.095 140 HA VAL 23 HA VAL 23 6.653 -5.288 -2.322 141 HB VAL 23 HB VAL 23 4.583 -4.690 -3.395 142 1HG1 VAL 23 1HG1 VAL 23 2.966 -5.925 -2.020 143 2HG1 VAL 23 2HG1 VAL 23 4.518 -6.743 -2.203 144 3HG1 VAL 23 3HG1 VAL 23 4.134 -5.910 -0.697 145 1HG2 VAL 23 1HG2 VAL 23 4.292 -2.503 -2.187 146 2HG2 VAL 23 2HG2 VAL 23 2.826 -3.452 -2.433 147 3HG2 VAL 23 3HG2 VAL 23 3.605 -3.436 -0.855 148 H THR 24 H THR 24 7.336 -4.257 -4.050 149 HA THR 24 HA THR 24 8.199 -1.542 -3.887 150 HB THR 24 HB THR 24 8.043 -3.320 -6.334 151 HG1 THR 24 1HG THR 24 9.229 -4.272 -4.533 152 1HG2 THR 24 1HG2 THR 24 9.929 -1.954 -7.127 153 2HG2 THR 24 2HG2 THR 24 9.807 -0.955 -5.679 154 3HG2 THR 24 3HG2 THR 24 8.488 -0.980 -6.847 155 H MET 25 H MET 25 7.094 0.252 -4.490 156 HA MET 25 HA MET 25 4.825 -0.050 -6.318 157 1HB MET 25 2HB MET 25 3.316 1.171 -4.938 158 1HG MET 25 2HG MET 25 5.560 1.552 -2.971 159 1HE MET 25 1HE MET 25 4.337 4.331 -1.892 160 2HE MET 25 2HE MET 25 3.558 3.761 -0.416 161 3HE MET 25 3HE MET 25 5.142 3.139 -0.868 162 H LYS 26 H LYS 26 4.315 1.779 -7.501 163 HA LYS 26 HA LYS 26 6.333 3.913 -7.473 164 1HB LYS 26 2HB LYS 26 6.273 2.676 -9.556 165 1HG LYS 26 2HG LYS 26 5.536 4.346 -11.213 166 1HD LYS 26 2HD LYS 26 6.990 5.738 -8.980 167 1HE LYS 26 2HE LYS 26 7.240 5.769 -11.986 168 1HZ LYS 26 1HZ LYS 26 9.374 6.112 -10.745 169 2HZ LYS 26 2HZ LYS 26 8.686 7.503 -10.063 170 3HZ LYS 26 3HZ LYS 26 8.899 7.402 -11.737 171 H LYS 27 H LYS 27 5.668 5.998 -7.164 172 HA LYS 27 HA LYS 27 3.179 6.437 -5.955 173 1HB LYS 27 2HB LYS 27 3.793 8.655 -5.656 174 1HG LYS 27 2HG LYS 27 4.400 8.739 -8.322 175 1HD LYS 27 2HD LYS 27 6.721 7.946 -7.603 176 1HE LYS 27 2HE LYS 27 6.730 10.756 -6.528 177 1HZ LYS 27 1HZ LYS 27 9.114 9.067 -6.422 178 2HZ LYS 27 2HZ LYS 27 8.980 10.759 -6.496 179 3HZ LYS 27 3HZ LYS 27 8.765 9.829 -7.898 180 H GLY 28 H GLY 28 1.361 7.556 -6.628 181 1HA GLY 28 1HA GLY 28 -0.035 8.576 -8.244 182 2HA GLY 28 2HA GLY 28 1.083 8.057 -9.498 183 H ASP 29 H ASP 29 1.105 5.332 -8.105 184 HA ASP 29 HA ASP 29 -1.095 4.251 -9.631 185 1HB ASP 29 2HB ASP 29 1.140 3.009 -8.044 186 H ILE 30 H ILE 30 -2.860 3.161 -8.848 187 HA ILE 30 HA ILE 30 -3.607 3.815 -6.095 188 HB ILE 30 HB ILE 30 -5.353 2.611 -8.245 189 1HG1 ILE 30 2HG1 ILE 30 -4.566 4.721 -9.101 190 1HG2 ILE 30 1HG2 ILE 30 -7.190 3.521 -6.875 191 2HG2 ILE 30 2HG2 ILE 30 -6.230 2.309 -6.023 192 3HG2 ILE 30 3HG2 ILE 30 -6.006 4.024 -5.669 193 1HD1 ILE 30 1HD1 ILE 30 -3.757 5.788 -7.085 194 2HD1 ILE 30 2HD1 ILE 30 -4.890 6.835 -7.937 195 3HD1 ILE 30 3HD1 ILE 30 -5.409 5.959 -6.495 196 H LEU 31 H LEU 31 -3.306 2.316 -4.566 197 HA LEU 31 HA LEU 31 -3.111 -0.497 -5.398 198 1HB LEU 31 2HB LEU 31 -2.415 0.291 -2.630 199 HG LEU 31 HG LEU 31 -1.189 2.078 -3.680 200 1HD1 LEU 31 1HD1 LEU 31 -0.078 0.707 -1.958 201 2HD1 LEU 31 2HD1 LEU 31 0.632 -0.276 -3.244 202 3HD1 LEU 31 3HD1 LEU 31 1.060 1.431 -3.100 203 1HD2 LEU 31 1HD2 LEU 31 0.313 1.786 -5.511 204 2HD2 LEU 31 2HD2 LEU 31 0.052 0.040 -5.511 205 3HD2 LEU 31 3HD2 LEU 31 -1.251 1.125 -5.999 206 H THR 32 H THR 32 -4.106 -2.118 -4.016 207 HA THR 32 HA THR 32 -6.658 -1.227 -2.941 208 HB THR 32 HB THR 32 -5.539 -4.022 -3.268 209 HG1 THR 32 1HG THR 32 -6.612 -2.333 -5.032 210 1HG2 THR 32 1HG2 THR 32 -8.290 -3.068 -2.450 211 2HG2 THR 32 2HG2 THR 32 -7.150 -3.993 -1.468 212 3HG2 THR 32 3HG2 THR 32 -7.892 -4.730 -2.887 213 H LEU 33 H LEU 33 -7.070 -1.007 -0.814 214 HA LEU 33 HA LEU 33 -4.948 -1.415 1.064 215 1HB LEU 33 2HB LEU 33 -7.268 0.180 0.989 216 HG LEU 33 HG LEU 33 -5.403 1.214 1.908 217 1HD1 LEU 33 1HD1 LEU 33 -6.019 1.782 4.220 218 2HD1 LEU 33 2HD1 LEU 33 -7.392 1.832 3.113 219 3HD1 LEU 33 3HD1 LEU 33 -7.191 0.467 4.213 220 1HD2 LEU 33 1HD2 LEU 33 -5.149 -1.063 3.871 221 2HD2 LEU 33 2HD2 LEU 33 -4.141 -0.817 2.444 222 3HD2 LEU 33 3HD2 LEU 33 -4.097 0.348 3.768 223 H LEU 34 H LEU 34 -4.611 -3.104 2.303 224 HA LEU 34 HA LEU 34 -6.668 -5.206 2.435 225 1HB LEU 34 2HB LEU 34 -3.659 -5.347 2.445 226 HG LEU 34 HG LEU 34 -4.596 -5.159 0.192 227 1HD1 LEU 34 1HD1 LEU 34 -2.599 -6.551 0.628 228 2HD1 LEU 34 2HD1 LEU 34 -3.649 -7.961 0.769 229 3HD1 LEU 34 3HD1 LEU 34 -3.533 -7.098 -0.765 230 1HD2 LEU 34 1HD2 LEU 34 -5.989 -7.000 -0.701 231 2HD2 LEU 34 2HD2 LEU 34 -6.173 -7.622 0.939 232 3HD2 LEU 34 3HD2 LEU 34 -6.817 -6.034 0.516 233 H ASN 35 H ASN 35 -4.469 -3.212 4.239 234 HA ASN 35 HA ASN 35 -5.753 -3.983 6.719 235 1HB ASN 35 2HB ASN 35 -4.136 -5.522 7.142 236 1HD2 ASN 35 1HD2 ASN 35 -1.722 -3.020 6.737 237 2HD2 ASN 35 2HD2 ASN 35 -1.393 -2.823 8.421 238 H SER 36 H SER 36 -5.954 -2.305 8.044 239 HA SER 36 HA SER 36 -4.031 -0.101 7.871 240 1HB SER 36 2HB SER 36 -5.946 1.527 8.043 241 HG SER 36 HG SER 36 -7.507 -0.700 7.198 242 H THR 37 H THR 37 -5.497 -2.366 9.724 243 HA THR 37 HA THR 37 -6.093 -0.946 12.099 244 HB THR 37 HB THR 37 -6.976 -3.179 11.782 245 HG1 THR 37 1HG THR 37 -6.347 -2.407 13.974 246 1HG2 THR 37 1HG2 THR 37 -5.563 -5.172 11.850 247 2HG2 THR 37 2HG2 THR 37 -4.124 -4.159 11.937 248 3HG2 THR 37 3HG2 THR 37 -5.127 -4.142 10.487 249 H ASN 38 H ASN 38 -3.144 -2.270 10.757 250 HA ASN 38 HA ASN 38 -1.587 -1.707 13.132 251 1HB ASN 38 2HB ASN 38 -1.077 -3.564 11.446 252 1HD2 ASN 38 1HD2 ASN 38 1.536 -3.168 10.328 253 2HD2 ASN 38 2HD2 ASN 38 2.620 -3.004 11.675 254 H LYS 39 H LYS 39 -1.033 0.330 13.631 255 HA LYS 39 HA LYS 39 -1.530 2.422 11.728 256 1HB LYS 39 2HB LYS 39 -1.175 3.970 13.499 257 1HG LYS 39 2HG LYS 39 -0.111 1.787 15.277 258 1HD LYS 39 2HD LYS 39 -0.100 4.776 15.598 259 1HE LYS 39 2HE LYS 39 1.659 3.558 16.813 260 1HZ LYS 39 1HZ LYS 39 0.628 1.430 17.107 261 2HZ LYS 39 2HZ LYS 39 -0.628 2.105 18.030 262 3HZ LYS 39 3HZ LYS 39 0.952 2.081 18.638 263 H ASP 40 H ASP 40 1.006 0.483 11.826 264 HA ASP 40 HA ASP 40 2.899 2.652 11.181 265 1HB ASP 40 2HB ASP 40 3.466 1.191 13.217 266 H TRP 41 H TRP 41 2.534 -0.830 10.537 267 HA TRP 41 HA TRP 41 3.275 -0.299 7.750 268 1HB TRP 41 2HB TRP 41 3.331 -2.836 9.383 269 HD1 TRP 41 HD TRP 41 5.333 -2.128 10.921 270 HE1 TRP 41 1HE TRP 41 7.783 -1.512 10.470 271 HE3 TRP 41 3HE TRP 41 5.116 -1.628 5.839 272 HZ2 TRP 41 2HZ TRP 41 9.418 -0.888 8.242 273 HZ3 TRP 41 3HZ TRP 41 7.167 -1.024 4.626 274 HH2 TRP 41 HH TRP 41 9.271 -0.664 5.806 275 H TRP 42 H TRP 42 1.706 -0.205 6.332 276 HA TRP 42 HA TRP 42 -0.839 -1.532 6.889 277 1HB TRP 42 2HB TRP 42 -0.003 0.581 4.919 278 HD1 TRP 42 HD TRP 42 -0.978 0.204 8.329 279 HE1 TRP 42 1HE TRP 42 -2.342 2.208 9.183 280 HE3 TRP 42 3HE TRP 42 -2.228 2.227 3.859 281 HZ2 TRP 42 2HZ TRP 42 -3.773 4.389 8.077 282 HZ3 TRP 42 3HZ TRP 42 -3.603 4.283 3.812 283 HH2 TRP 42 HH TRP 42 -4.357 5.340 5.885 284 H LYS 43 H LYS 43 -1.881 -2.665 5.043 285 HA LYS 43 HA LYS 43 0.142 -4.127 3.473 286 1HB LYS 43 2HB LYS 43 -1.194 -5.424 5.295 287 1HG LYS 43 2HG LYS 43 -1.308 -6.508 2.498 288 1HD LYS 43 2HD LYS 43 -0.916 -7.903 5.152 289 1HE LYS 43 2HE LYS 43 -1.259 -9.938 3.972 290 1HZ LYS 43 1HZ LYS 43 0.523 -9.916 2.289 291 2HZ LYS 43 2HZ LYS 43 0.999 -9.265 3.779 292 3HZ LYS 43 3HZ LYS 43 0.651 -8.241 2.477 293 H VAL 44 H VAL 44 -0.022 -3.872 1.387 294 HA VAL 44 HA VAL 44 -2.606 -3.060 0.256 295 HB VAL 44 HB VAL 44 -1.426 -1.486 -1.254 296 1HG1 VAL 44 1HG1 VAL 44 -2.528 -0.636 0.746 297 2HG1 VAL 44 2HG1 VAL 44 -1.061 -0.912 1.687 298 3HG1 VAL 44 3HG1 VAL 44 -1.067 0.291 0.396 299 1HG2 VAL 44 1HG2 VAL 44 0.945 -1.997 0.541 300 2HG2 VAL 44 2HG2 VAL 44 0.794 -2.502 -1.142 301 3HG2 VAL 44 3HG2 VAL 44 0.855 -0.787 -0.737 302 H GLU 45 H GLU 45 -2.860 -3.586 -1.968 303 HA GLU 45 HA GLU 45 -0.998 -5.676 -2.874 304 1HB GLU 45 2HB GLU 45 -3.325 -6.423 -2.352 305 1HG GLU 45 2HG GLU 45 -2.553 -6.632 -5.253 306 H VAL 46 H VAL 46 0.195 -5.163 -4.529 307 HA VAL 46 HA VAL 46 -0.768 -3.107 -6.410 308 HB VAL 46 HB VAL 46 2.147 -3.430 -5.990 309 1HG1 VAL 46 1HG1 VAL 46 1.935 -0.881 -6.231 310 2HG1 VAL 46 2HG1 VAL 46 1.623 -1.890 -7.647 311 3HG1 VAL 46 3HG1 VAL 46 0.280 -1.223 -6.727 312 1HG2 VAL 46 1HG2 VAL 46 1.446 -3.358 -3.702 313 2HG2 VAL 46 2HG2 VAL 46 2.132 -1.791 -4.131 314 3HG2 VAL 46 3HG2 VAL 46 0.381 -1.990 -4.025 315 H ASN 47 H ASN 47 -0.945 -3.856 -8.385 316 HA ASN 47 HA ASN 47 -0.917 -5.147 -10.195 317 1HB ASN 47 2HB ASN 47 1.166 -5.799 -11.200 318 1HD2 ASN 47 1HD2 ASN 47 2.956 -3.903 -8.980 319 2HD2 ASN 47 2HD2 ASN 47 4.044 -5.156 -8.470 320 H ASP 48 H ASP 48 1.222 -7.075 -8.072 321 HA ASP 48 HA ASP 48 -0.778 -9.120 -7.824 322 1HB ASP 48 2HB ASP 48 0.184 -9.668 -10.029 323 H ARG 49 H ARG 49 1.137 -7.239 -6.414 324 HA ARG 49 HA ARG 49 2.421 -9.197 -4.628 325 1HB ARG 49 2HB ARG 49 3.313 -6.407 -5.390 326 1HG ARG 49 2HG ARG 49 5.065 -8.825 -5.450 327 1HD ARG 49 2HD ARG 49 5.723 -7.440 -7.642 328 HE ARG 49 HE ARG 49 6.808 -7.094 -4.937 329 1HH1 ARG 49 2HH1 ARG 49 7.252 -6.893 -8.419 330 2HH1 ARG 49 1HH1 ARG 49 8.983 -6.781 -8.299 331 1HH2 ARG 49 2HH2 ARG 49 9.076 -6.933 -4.801 332 2HH2 ARG 49 1HH2 ARG 49 10.016 -6.790 -6.261 333 H GLN 50 H GLN 50 1.119 -9.386 -2.938 334 HA GLN 50 HA GLN 50 0.020 -6.923 -1.767 335 1HB GLN 50 2HB GLN 50 -1.452 -8.431 -0.430 336 1HG GLN 50 2HG GLN 50 -1.518 -10.721 -1.997 337 1HE2 GLN 50 1HE2 GLN 50 -3.063 -10.992 -0.383 338 2HE2 GLN 50 2HE2 GLN 50 -2.620 -11.532 1.206 339 H GLY 51 H GLY 51 1.239 -6.023 -0.313 340 1HA GLY 51 1HA GLY 51 2.556 -7.662 1.707 341 2HA GLY 51 2HA GLY 51 3.605 -6.771 0.609 342 H PHE 52 H PHE 52 4.334 -5.803 2.664 343 HA PHE 52 HA PHE 52 2.443 -3.882 3.786 344 1HB PHE 52 2HB PHE 52 5.107 -4.904 4.743 345 HD1 PHE 52 1HD PHE 52 1.818 -3.935 6.189 346 HD2 PHE 52 2HD PHE 52 4.733 -6.984 5.640 347 HE1 PHE 52 1HE PHE 52 0.517 -5.431 7.640 348 HE2 PHE 52 2HE PHE 52 3.437 -8.486 7.094 349 HZ PHE 52 HZ PHE 52 1.326 -7.706 8.097 350 H VAL 53 H VAL 53 2.745 -1.757 3.873 351 HA VAL 53 HA VAL 53 5.223 -0.558 2.841 352 HB VAL 53 HB VAL 53 3.940 1.276 1.796 353 1HG1 VAL 53 1HG1 VAL 53 3.216 -1.432 0.711 354 2HG1 VAL 53 2HG1 VAL 53 3.174 0.087 -0.188 355 3HG1 VAL 53 3HG1 VAL 53 4.713 -0.549 0.398 356 1HG2 VAL 53 1HG2 VAL 53 1.519 -0.432 2.362 357 2HG2 VAL 53 2HG2 VAL 53 1.892 1.133 3.088 358 3HG2 VAL 53 3HG2 VAL 53 1.537 1.022 1.363 359 HA PRO 54 HA PRO 54 4.693 1.973 6.489 360 1HB PRO 54 2HB PRO 54 5.561 4.385 5.206 361 1HG PRO 54 2HG PRO 54 7.126 3.653 3.728 362 1HD PRO 54 2HD PRO 54 5.560 2.375 2.652 363 H ALA 55 H ALA 55 2.963 2.975 7.303 364 HA ALA 55 HA ALA 55 0.698 3.517 5.771 365 1HB ALA 55 1HB ALA 55 -0.251 4.464 7.801 366 2HB ALA 55 2HB ALA 55 0.646 2.990 8.165 367 3HB ALA 55 3HB ALA 55 1.354 4.565 8.521 368 H ALA 56 H ALA 56 3.374 5.562 6.611 369 HA ALA 56 HA ALA 56 2.021 8.038 6.023 370 1HB ALA 56 1HB ALA 56 3.802 7.936 7.685 371 2HB ALA 56 2HB ALA 56 4.950 7.464 6.432 372 3HB ALA 56 3HB ALA 56 4.205 9.061 6.388 373 H TYR 57 H TYR 57 3.188 5.629 4.053 374 HA TYR 57 HA TYR 57 4.285 7.464 2.044 375 1HB TYR 57 2HB TYR 57 4.546 4.511 2.466 376 HD1 TYR 57 1HD TYR 57 7.036 5.092 0.403 377 HD2 TYR 57 2HD TYR 57 5.753 6.528 4.192 378 HE1 TYR 57 1HE TYR 57 9.348 5.716 0.941 379 HE2 TYR 57 2HE TYR 57 8.065 7.149 4.748 380 HH TYR 57 HH TYR 57 10.484 7.416 2.491 381 H VAL 58 H VAL 58 1.481 5.644 2.709 382 HA VAL 58 HA VAL 58 0.510 6.216 -0.010 383 HB VAL 58 HB VAL 58 -1.115 4.398 0.266 384 1HG1 VAL 58 1HG1 VAL 58 0.499 2.515 0.161 385 2HG1 VAL 58 2HG1 VAL 58 0.975 3.893 -0.831 386 3HG1 VAL 58 3HG1 VAL 58 1.763 3.615 0.721 387 1HG2 VAL 58 1HG2 VAL 58 0.332 3.838 2.857 388 2HG2 VAL 58 2HG2 VAL 58 -1.321 4.438 2.699 389 3HG2 VAL 58 3HG2 VAL 58 -0.912 2.820 2.128 390 H LYS 59 H LYS 59 -1.691 6.947 -0.191 391 HA LYS 59 HA LYS 59 -2.614 8.267 2.279 392 1HB LYS 59 2HB LYS 59 -1.648 9.886 0.727 393 1HG LYS 59 2HG LYS 59 -4.640 10.144 0.598 394 1HD LYS 59 2HD LYS 59 -2.419 12.182 0.576 395 1HE LYS 59 2HE LYS 59 -4.144 13.848 0.401 396 1HZ LYS 59 1HZ LYS 59 -3.555 13.153 2.657 397 2HZ LYS 59 2HZ LYS 59 -4.811 12.015 2.644 398 3HZ LYS 59 3HZ LYS 59 -5.167 13.671 2.560 399 H LYS 60 H LYS 60 -4.824 8.432 2.627 400 HA LYS 60 HA LYS 60 -6.418 6.330 1.560 401 1HB LYS 60 2HB LYS 60 -7.178 8.741 3.222 402 1HG LYS 60 2HG LYS 60 -5.769 6.971 4.338 403 1HD LYS 60 2HD LYS 60 -6.617 4.942 3.443 404 1HE LYS 60 2HE LYS 60 -8.859 5.659 2.769 405 1HZ LYS 60 1HZ LYS 60 -9.487 5.627 5.674 406 2HZ LYS 60 2HZ LYS 60 -10.641 5.734 4.430 407 3HZ LYS 60 3HZ LYS 60 -9.516 6.980 4.647 408 H LEU 61 H LEU 61 -7.343 6.327 -0.377 409 HA LEU 61 HA LEU 61 -8.341 8.822 -1.531 410 1HB LEU 61 2HB LEU 61 -8.287 5.977 -2.551 411 HG LEU 61 HG LEU 61 -6.086 7.247 -2.694 412 1HD1 LEU 61 1HD1 LEU 61 -7.435 6.435 -5.271 413 2HD1 LEU 61 2HD1 LEU 61 -5.698 6.551 -4.996 414 3HD1 LEU 61 3HD1 LEU 61 -6.649 5.345 -4.130 415 1HD2 LEU 61 1HD2 LEU 61 -6.898 9.470 -3.152 416 2HD2 LEU 61 2HD2 LEU 61 -5.958 8.909 -4.531 417 3HD2 LEU 61 3HD2 LEU 61 -7.720 8.916 -4.610 418 H ASP 62 H ASP 62 -9.340 7.929 0.905 419 HA ASP 62 HA ASP 62 -12.135 7.363 0.329 420 1HB ASP 62 2HB ASP 62 -11.263 5.160 0.697 Start of MODEL 17 1 1H MET 1 1H MET 1 -8.972 -2.248 -6.779 2 2H MET 1 2H MET 1 -7.591 -2.856 -6.006 3 3H MET 1 3H MET 1 -9.071 -3.675 -5.867 4 HA MET 1 HA MET 1 -7.563 -3.271 -8.380 5 1HB MET 1 2HB MET 1 -6.249 -4.775 -7.219 6 1HG MET 1 2HG MET 1 -6.644 -7.039 -7.938 7 1HE MET 1 1HE MET 1 -4.508 -6.153 -9.240 8 2HE MET 1 2HE MET 1 -4.589 -4.972 -10.544 9 3HE MET 1 3HE MET 1 -5.042 -4.509 -8.904 10 H ASP 2 H ASP 2 -9.910 -5.583 -6.957 11 HA ASP 2 HA ASP 2 -11.855 -4.979 -9.021 12 1HB ASP 2 2HB ASP 2 -10.171 -6.534 -10.142 13 H GLU 3 H GLU 3 -11.671 -4.996 -6.156 14 HA GLU 3 HA GLU 3 -13.116 -7.331 -5.201 15 1HB GLU 3 2HB GLU 3 -12.428 -4.843 -3.607 16 1HG GLU 3 2HG GLU 3 -10.504 -6.074 -2.695 17 H THR 4 H THR 4 -14.405 -5.470 -7.110 18 HA THR 4 HA THR 4 -16.474 -4.463 -7.486 19 HB THR 4 HB THR 4 -17.142 -5.303 -4.645 20 HG1 THR 4 1HG THR 4 -16.817 -6.732 -6.889 21 1HG2 THR 4 1HG2 THR 4 -19.474 -5.041 -5.356 22 2HG2 THR 4 2HG2 THR 4 -18.930 -4.443 -6.926 23 3HG2 THR 4 3HG2 THR 4 -18.601 -3.512 -5.464 24 H GLY 5 H GLY 5 -14.636 -3.632 -4.631 25 1HA GLY 5 1HA GLY 5 -14.198 -1.052 -5.012 26 2HA GLY 5 2HA GLY 5 -15.867 -1.002 -4.449 27 H LYS 6 H LYS 6 -13.706 0.198 -3.131 28 HA LYS 6 HA LYS 6 -13.981 -0.713 -0.506 29 1HB LYS 6 2HB LYS 6 -11.846 -1.681 -0.001 30 1HG LYS 6 2HG LYS 6 -11.036 -1.629 -2.889 31 1HD LYS 6 2HD LYS 6 -8.821 -2.081 -1.967 32 1HE LYS 6 2HE LYS 6 -10.584 -3.959 -2.399 33 1HZ LYS 6 1HZ LYS 6 -10.706 -5.381 -0.342 34 2HZ LYS 6 2HZ LYS 6 -11.750 -4.051 -0.374 35 3HZ LYS 6 3HZ LYS 6 -10.332 -3.996 0.562 36 H GLU 7 H GLU 7 -11.514 0.109 0.545 37 HA GLU 7 HA GLU 7 -11.923 2.923 0.492 38 1HB GLU 7 2HB GLU 7 -9.869 1.180 1.816 39 1HG GLU 7 2HG GLU 7 -11.876 1.292 3.099 40 H LEU 8 H LEU 8 -9.142 0.939 -0.606 41 HA LEU 8 HA LEU 8 -7.642 1.249 -2.287 42 1HB LEU 8 2HB LEU 8 -9.697 3.207 -3.116 43 HG LEU 8 HG LEU 8 -9.129 2.079 -5.364 44 1HD1 LEU 8 1HD1 LEU 8 -8.280 -0.199 -3.638 45 2HD1 LEU 8 2HD1 LEU 8 -8.302 -0.102 -5.390 46 3HD1 LEU 8 3HD1 LEU 8 -7.143 0.863 -4.475 47 1HD2 LEU 8 1HD2 LEU 8 -10.829 0.412 -5.033 48 2HD2 LEU 8 2HD2 LEU 8 -10.629 0.524 -3.286 49 3HD2 LEU 8 3HD2 LEU 8 -11.265 1.897 -4.189 50 H VAL 9 H VAL 9 -5.648 2.150 -2.239 51 HA VAL 9 HA VAL 9 -5.419 4.741 -0.872 52 HB VAL 9 HB VAL 9 -3.120 3.938 -0.107 53 1HG1 VAL 9 1HG1 VAL 9 -5.584 2.651 1.057 54 2HG1 VAL 9 2HG1 VAL 9 -4.040 2.864 1.883 55 3HG1 VAL 9 3HG1 VAL 9 -4.988 4.276 1.409 56 1HG2 VAL 9 1HG2 VAL 9 -4.353 1.266 -0.768 57 2HG2 VAL 9 2HG2 VAL 9 -2.914 1.972 -1.501 58 3HG2 VAL 9 3HG2 VAL 9 -2.896 1.502 0.199 59 H LEU 10 H LEU 10 -4.049 6.206 -1.664 60 HA LEU 10 HA LEU 10 -3.017 5.681 -4.345 61 1HB LEU 10 2HB LEU 10 -4.283 7.571 -4.503 62 HG LEU 10 HG LEU 10 -1.605 8.628 -3.701 63 1HD1 LEU 10 1HD1 LEU 10 -1.747 7.466 -5.828 64 2HD1 LEU 10 2HD1 LEU 10 -3.073 8.518 -6.323 65 3HD1 LEU 10 3HD1 LEU 10 -1.462 9.190 -6.069 66 1HD2 LEU 10 1HD2 LEU 10 -4.001 10.216 -4.596 67 2HD2 LEU 10 2HD2 LEU 10 -3.191 10.314 -3.031 68 3HD2 LEU 10 3HD2 LEU 10 -2.350 10.834 -4.491 69 H ALA 11 H ALA 11 -0.908 5.319 -4.615 70 HA ALA 11 HA ALA 11 0.980 5.568 -2.508 71 1HB ALA 11 1HB ALA 11 1.446 5.146 -5.462 72 2HB ALA 11 2HB ALA 11 2.629 4.893 -4.177 73 3HB ALA 11 3HB ALA 11 1.193 3.872 -4.268 74 H LEU 12 H LEU 12 1.777 7.425 -1.794 75 HA LEU 12 HA LEU 12 1.664 9.831 -3.388 76 1HB LEU 12 2HB LEU 12 2.878 9.360 -0.660 77 HG LEU 12 HG LEU 12 0.441 8.960 -0.603 78 1HD1 LEU 12 1HD1 LEU 12 1.309 11.566 0.639 79 2HD1 LEU 12 2HD1 LEU 12 -0.083 10.600 1.134 80 3HD1 LEU 12 3HD1 LEU 12 1.547 9.953 1.319 81 1HD2 LEU 12 1HD2 LEU 12 0.261 11.762 -1.711 82 2HD2 LEU 12 2HD2 LEU 12 -0.228 10.278 -2.529 83 3HD2 LEU 12 3HD2 LEU 12 -1.096 10.821 -1.091 84 H TYR 13 H TYR 13 4.093 7.613 -2.217 85 HA TYR 13 HA TYR 13 6.139 9.128 -3.674 86 1HB TYR 13 2HB TYR 13 6.707 7.649 -1.109 87 HD1 TYR 13 1HD TYR 13 5.904 8.385 0.943 88 HD2 TYR 13 2HD TYR 13 6.164 11.144 -2.270 89 HE1 TYR 13 1HE TYR 13 4.908 10.123 2.368 90 HE2 TYR 13 2HE TYR 13 5.180 12.898 -0.865 91 HH TYR 13 HH TYR 13 4.669 12.439 2.562 92 H ASP 14 H ASP 14 7.953 7.780 -4.431 93 HA ASP 14 HA ASP 14 7.107 5.132 -5.167 94 1HB ASP 14 2HB ASP 14 9.246 5.039 -6.386 95 H TYR 15 H TYR 15 7.755 3.250 -4.294 96 HA TYR 15 HA TYR 15 9.551 3.442 -1.970 97 1HB TYR 15 2HB TYR 15 7.134 3.377 -1.313 98 HD1 TYR 15 1HD TYR 15 9.104 3.544 0.474 99 HD2 TYR 15 2HD TYR 15 7.255 -0.066 -0.794 100 HE1 TYR 15 1HE TYR 15 9.831 2.451 2.542 101 HE2 TYR 15 2HE TYR 15 7.988 -1.174 1.256 102 HH TYR 15 HH TYR 15 9.173 0.516 3.947 103 H GLN 16 H GLN 16 11.080 1.933 -1.849 104 HA GLN 16 HA GLN 16 10.844 -0.402 -3.616 105 1HB GLN 16 2HB GLN 16 12.690 1.142 -4.207 106 1HG GLN 16 2HG GLN 16 14.449 -0.413 -4.432 107 1HE2 GLN 16 1HE2 GLN 16 12.122 -2.721 -3.275 108 2HE2 GLN 16 2HE2 GLN 16 11.501 -3.184 -4.830 109 H GLU 17 H GLU 17 10.271 -2.119 -2.523 110 HA GLU 17 HA GLU 17 10.365 -2.526 0.213 111 1HB GLU 17 2HB GLU 17 9.878 -4.843 -0.262 112 1HG GLU 17 2HG GLU 17 10.949 -4.277 -3.004 113 H LYS 18 H LYS 18 11.857 -3.204 1.627 114 HA LYS 18 HA LYS 18 14.419 -4.175 0.564 115 1HB LYS 18 2HB LYS 18 15.580 -3.059 2.209 116 1HG LYS 18 2HG LYS 18 13.259 -3.472 3.927 117 1HD LYS 18 2HD LYS 18 14.961 -1.015 4.296 118 1HE LYS 18 2HE LYS 18 12.455 -1.985 5.655 119 1HZ LYS 18 1HZ LYS 18 12.628 -0.049 7.013 120 2HZ LYS 18 2HZ LYS 18 12.585 0.454 5.397 121 3HZ LYS 18 3HZ LYS 18 14.057 0.442 6.241 122 H SER 19 H SER 19 11.766 -5.450 1.648 123 HA SER 19 HA SER 19 13.131 -7.798 2.621 124 1HB SER 19 2HB SER 19 11.891 -8.009 4.692 125 HG SER 19 HG SER 19 10.725 -5.469 4.315 126 HA PRO 20 HA PRO 20 9.878 -9.737 0.270 127 1HB PRO 20 2HB PRO 20 9.505 -12.048 1.687 128 1HG PRO 20 2HG PRO 20 10.778 -11.498 3.553 129 1HD PRO 20 2HD PRO 20 12.363 -9.801 3.514 130 H ALA 21 H ALA 21 9.361 -8.501 3.312 131 HA ALA 21 HA ALA 21 6.538 -9.299 3.365 132 1HB ALA 21 1HB ALA 21 8.176 -7.839 5.434 133 2HB ALA 21 2HB ALA 21 6.486 -8.305 5.605 134 3HB ALA 21 3HB ALA 21 7.732 -9.544 5.473 135 H GLU 22 H GLU 22 8.492 -6.959 2.131 136 HA GLU 22 HA GLU 22 6.479 -4.827 2.313 137 1HB GLU 22 2HB GLU 22 9.384 -4.823 1.496 138 1HG GLU 22 2HG GLU 22 8.119 -3.098 3.570 139 H VAL 23 H VAL 23 6.223 -3.545 0.221 140 HA VAL 23 HA VAL 23 6.721 -5.240 -2.134 141 HB VAL 23 HB VAL 23 4.634 -5.071 -3.014 142 1HG1 VAL 23 1HG1 VAL 23 4.014 -4.705 -0.102 143 2HG1 VAL 23 2HG1 VAL 23 2.894 -5.299 -1.327 144 3HG1 VAL 23 3HG1 VAL 23 4.337 -6.230 -0.928 145 1HG2 VAL 23 1HG2 VAL 23 4.239 -2.489 -1.532 146 2HG2 VAL 23 2HG2 VAL 23 4.525 -2.700 -3.257 147 3HG2 VAL 23 3HG2 VAL 23 3.013 -3.257 -2.539 148 H THR 24 H THR 24 7.295 -4.201 -4.001 149 HA THR 24 HA THR 24 8.201 -1.475 -3.827 150 HB THR 24 HB THR 24 7.982 -3.173 -6.325 151 HG1 THR 24 1HG THR 24 9.213 -4.201 -4.588 152 1HG2 THR 24 1HG2 THR 24 9.862 -1.769 -7.090 153 2HG2 THR 24 2HG2 THR 24 9.755 -0.840 -5.597 154 3HG2 THR 24 3HG2 THR 24 8.419 -0.816 -6.744 155 H MET 25 H MET 25 7.144 0.330 -4.513 156 HA MET 25 HA MET 25 4.847 0.050 -6.292 157 1HB MET 25 2HB MET 25 3.329 1.246 -4.896 158 1HG MET 25 2HG MET 25 5.576 1.580 -2.921 159 1HE MET 25 1HE MET 25 4.266 4.327 -1.735 160 2HE MET 25 2HE MET 25 3.575 3.663 -0.254 161 3HE MET 25 3HE MET 25 5.168 3.136 -0.797 162 H LYS 26 H LYS 26 4.274 2.014 -7.350 163 HA LYS 26 HA LYS 26 6.283 4.139 -7.081 164 1HB LYS 26 2HB LYS 26 5.010 3.068 -9.606 165 1HG LYS 26 2HG LYS 26 7.002 1.824 -8.737 166 1HD LYS 26 2HD LYS 26 8.429 4.399 -9.396 167 1HE LYS 26 2HE LYS 26 10.439 3.243 -8.672 168 1HZ LYS 26 1HZ LYS 26 9.089 1.571 -10.715 169 2HZ LYS 26 2HZ LYS 26 10.753 1.844 -10.541 170 3HZ LYS 26 3HZ LYS 26 9.734 3.101 -11.041 171 H LYS 27 H LYS 27 5.571 6.213 -7.048 172 HA LYS 27 HA LYS 27 2.972 6.598 -6.101 173 1HB LYS 27 2HB LYS 27 3.520 8.791 -5.730 174 1HG LYS 27 2HG LYS 27 3.924 9.231 -8.258 175 1HD LYS 27 2HD LYS 27 6.050 7.985 -8.393 176 1HE LYS 27 2HE LYS 27 6.965 10.102 -6.455 177 1HZ LYS 27 1HZ LYS 27 8.589 8.251 -8.111 178 2HZ LYS 27 2HZ LYS 27 9.180 9.088 -6.758 179 3HZ LYS 27 3HZ LYS 27 8.638 9.946 -8.119 180 H GLY 28 H GLY 28 1.215 7.683 -6.934 181 1HA GLY 28 1HA GLY 28 -0.064 8.594 -8.729 182 2HA GLY 28 2HA GLY 28 1.113 7.939 -9.859 183 H ASP 29 H ASP 29 1.098 5.347 -8.319 184 HA ASP 29 HA ASP 29 -1.135 4.175 -9.727 185 1HB ASP 29 2HB ASP 29 1.104 3.031 -8.080 186 H ILE 30 H ILE 30 -2.882 3.149 -8.848 187 HA ILE 30 HA ILE 30 -3.546 3.881 -6.087 188 HB ILE 30 HB ILE 30 -5.346 2.791 -8.258 189 1HG1 ILE 30 2HG1 ILE 30 -4.543 4.974 -8.928 190 1HG2 ILE 30 1HG2 ILE 30 -7.177 3.521 -6.817 191 2HG2 ILE 30 2HG2 ILE 30 -6.156 2.327 -6.015 192 3HG2 ILE 30 3HG2 ILE 30 -6.011 4.034 -5.597 193 1HD1 ILE 30 1HD1 ILE 30 -3.825 5.867 -6.770 194 2HD1 ILE 30 2HD1 ILE 30 -4.890 6.979 -7.627 195 3HD1 ILE 30 3HD1 ILE 30 -5.512 6.021 -6.283 196 H LEU 31 H LEU 31 -3.132 2.347 -4.616 197 HA LEU 31 HA LEU 31 -2.924 -0.430 -5.539 198 1HB LEU 31 2HB LEU 31 -2.225 0.280 -2.749 199 HG LEU 31 HG LEU 31 -1.031 2.109 -3.728 200 1HD1 LEU 31 1HD1 LEU 31 1.228 1.484 -3.226 201 2HD1 LEU 31 2HD1 LEU 31 0.143 0.646 -2.114 202 3HD1 LEU 31 3HD1 LEU 31 0.850 -0.222 -3.481 203 1HD2 LEU 31 1HD2 LEU 31 -0.109 0.124 -5.787 204 2HD2 LEU 31 2HD2 LEU 31 -1.099 1.552 -6.060 205 3HD2 LEU 31 3HD2 LEU 31 0.592 1.727 -5.576 206 H THR 32 H THR 32 -3.835 -2.125 -4.261 207 HA THR 32 HA THR 32 -6.452 -1.472 -3.223 208 HB THR 32 HB THR 32 -5.037 -4.149 -3.349 209 HG1 THR 32 1HG THR 32 -5.841 -4.392 -5.324 210 1HG2 THR 32 1HG2 THR 32 -7.331 -5.066 -3.227 211 2HG2 THR 32 2HG2 THR 32 -7.937 -3.431 -2.942 212 3HG2 THR 32 3HG2 THR 32 -6.854 -4.191 -1.771 213 H LEU 33 H LEU 33 -6.972 -1.289 -1.091 214 HA LEU 33 HA LEU 33 -4.849 -1.588 0.838 215 1HB LEU 33 2HB LEU 33 -7.101 0.074 0.659 216 HG LEU 33 HG LEU 33 -5.252 1.071 1.635 217 1HD1 LEU 33 1HD1 LEU 33 -7.260 1.714 2.808 218 2HD1 LEU 33 2HD1 LEU 33 -7.079 0.354 3.916 219 3HD1 LEU 33 3HD1 LEU 33 -5.896 1.660 3.926 220 1HD2 LEU 33 1HD2 LEU 33 -4.017 -0.950 2.199 221 2HD2 LEU 33 2HD2 LEU 33 -4.031 0.171 3.562 222 3HD2 LEU 33 3HD2 LEU 33 -5.089 -1.240 3.570 223 H LEU 34 H LEU 34 -4.611 -3.209 2.184 224 HA LEU 34 HA LEU 34 -6.699 -5.281 2.294 225 1HB LEU 34 2HB LEU 34 -3.698 -5.437 2.528 226 HG LEU 34 HG LEU 34 -4.518 -5.351 0.197 227 1HD1 LEU 34 1HD1 LEU 34 -3.495 -8.066 1.000 228 2HD1 LEU 34 2HD1 LEU 34 -3.330 -7.298 -0.579 229 3HD1 LEU 34 3HD1 LEU 34 -2.501 -6.619 0.821 230 1HD2 LEU 34 1HD2 LEU 34 -6.028 -7.839 0.982 231 2HD2 LEU 34 2HD2 LEU 34 -6.718 -6.301 0.463 232 3HD2 LEU 34 3HD2 LEU 34 -5.792 -7.279 -0.673 233 H ASN 35 H ASN 35 -4.507 -3.283 4.115 234 HA ASN 35 HA ASN 35 -5.955 -3.845 6.561 235 1HB ASN 35 2HB ASN 35 -4.434 -5.460 7.087 236 1HD2 ASN 35 1HD2 ASN 35 -1.898 -3.060 6.831 237 2HD2 ASN 35 2HD2 ASN 35 -1.704 -2.829 8.530 238 H SER 36 H SER 36 -6.164 -2.073 7.730 239 HA SER 36 HA SER 36 -4.135 0.035 7.491 240 1HB SER 36 2HB SER 36 -6.102 1.672 7.672 241 HG SER 36 HG SER 36 -8.019 0.839 7.722 242 H THR 37 H THR 37 -5.259 -2.164 9.453 243 HA THR 37 HA THR 37 -5.894 -0.476 11.739 244 HB THR 37 HB THR 37 -7.265 -2.496 11.298 245 HG1 THR 37 1HG THR 37 -5.815 -2.272 13.732 246 1HG2 THR 37 1HG2 THR 37 -5.518 -3.993 10.475 247 2HG2 THR 37 2HG2 THR 37 -6.348 -4.711 11.857 248 3HG2 THR 37 3HG2 THR 37 -4.752 -3.989 12.063 249 H ASN 38 H ASN 38 -3.122 -1.431 10.338 250 HA ASN 38 HA ASN 38 -1.704 -1.777 12.888 251 1HB ASN 38 2HB ASN 38 -1.221 -3.383 10.988 252 1HD2 ASN 38 1HD2 ASN 38 1.453 -3.104 10.044 253 2HD2 ASN 38 2HD2 ASN 38 2.491 -3.178 11.434 254 H LYS 39 H LYS 39 -0.811 -0.066 13.778 255 HA LYS 39 HA LYS 39 -1.070 2.500 12.664 256 1HB LYS 39 2HB LYS 39 -0.025 3.337 14.645 257 1HG LYS 39 2HG LYS 39 0.945 0.564 15.315 258 1HD LYS 39 2HD LYS 39 1.499 3.232 16.590 259 1HE LYS 39 2HE LYS 39 2.565 1.890 18.337 260 1HZ LYS 39 1HZ LYS 39 3.672 1.366 15.627 261 2HZ LYS 39 2HZ LYS 39 4.514 1.156 17.082 262 3HZ LYS 39 3HZ LYS 39 4.011 2.706 16.615 263 H ASP 40 H ASP 40 1.355 0.205 12.065 264 HA ASP 40 HA ASP 40 3.282 2.322 11.362 265 1HB ASP 40 2HB ASP 40 3.898 -0.572 11.989 266 H TRP 41 H TRP 41 2.558 -1.034 10.447 267 HA TRP 41 HA TRP 41 3.278 -0.332 7.688 268 1HB TRP 41 2HB TRP 41 3.474 -2.940 9.192 269 HD1 TRP 41 HD TRP 41 5.385 -1.910 10.768 270 HE1 TRP 41 1HE TRP 41 7.845 -1.324 10.316 271 HE3 TRP 41 3HE TRP 41 5.291 -1.930 5.658 272 HZ2 TRP 41 2HZ TRP 41 9.525 -0.931 8.092 273 HZ3 TRP 41 3HZ TRP 41 7.377 -1.442 4.445 274 HH2 TRP 41 HH TRP 41 9.450 -0.951 5.640 275 H TRP 42 H TRP 42 1.611 -0.125 6.396 276 HA TRP 42 HA TRP 42 -0.874 -1.540 6.925 277 1HB TRP 42 2HB TRP 42 -0.043 0.604 4.994 278 HD1 TRP 42 HD TRP 42 -1.027 0.165 8.371 279 HE1 TRP 42 1HE TRP 42 -2.456 2.115 9.249 280 HE3 TRP 42 3HE TRP 42 -2.359 2.188 3.924 281 HZ2 TRP 42 2HZ TRP 42 -3.967 4.250 8.164 282 HZ3 TRP 42 3HZ TRP 42 -3.807 4.195 3.898 283 HH2 TRP 42 HH TRP 42 -4.592 5.201 5.986 284 H LYS 43 H LYS 43 -1.938 -2.663 5.071 285 HA LYS 43 HA LYS 43 0.092 -4.202 3.590 286 1HB LYS 43 2HB LYS 43 -1.391 -5.346 5.431 287 1HG LYS 43 2HG LYS 43 -1.251 -6.621 2.718 288 1HD LYS 43 2HD LYS 43 -1.147 -7.839 5.492 289 1HE LYS 43 2HE LYS 43 -1.317 -9.043 2.740 290 1HZ LYS 43 1HZ LYS 43 -1.824 -10.490 5.272 291 2HZ LYS 43 2HZ LYS 43 -1.992 -11.073 3.687 292 3HZ LYS 43 3HZ LYS 43 -3.077 -9.913 4.286 293 H VAL 44 H VAL 44 0.010 -3.983 1.476 294 HA VAL 44 HA VAL 44 -2.504 -3.041 0.276 295 HB VAL 44 HB VAL 44 -1.176 -1.630 -1.281 296 1HG1 VAL 44 1HG1 VAL 44 -0.750 0.182 0.294 297 2HG1 VAL 44 2HG1 VAL 44 -2.258 -0.647 0.684 298 3HG1 VAL 44 3HG1 VAL 44 -0.806 -0.957 1.637 299 1HG2 VAL 44 1HG2 VAL 44 0.962 -2.831 -1.034 300 2HG2 VAL 44 2HG2 VAL 44 1.135 -1.096 -0.769 301 3HG2 VAL 44 3HG2 VAL 44 1.110 -2.199 0.607 302 H GLU 45 H GLU 45 -2.629 -3.381 -2.019 303 HA GLU 45 HA GLU 45 -1.060 -5.689 -2.963 304 1HB GLU 45 2HB GLU 45 -3.311 -6.421 -2.479 305 1HG GLU 45 2HG GLU 45 -2.755 -6.076 -5.401 306 H VAL 46 H VAL 46 0.240 -5.027 -4.520 307 HA VAL 46 HA VAL 46 -0.691 -2.910 -6.345 308 HB VAL 46 HB VAL 46 2.184 -3.668 -6.129 309 1HG1 VAL 46 1HG1 VAL 46 0.915 -0.987 -6.512 310 2HG1 VAL 46 2HG1 VAL 46 2.584 -1.436 -6.822 311 3HG1 VAL 46 3HG1 VAL 46 1.293 -2.070 -7.846 312 1HG2 VAL 46 1HG2 VAL 46 0.719 -1.913 -4.180 313 2HG2 VAL 46 2HG2 VAL 46 1.625 -3.381 -3.825 314 3HG2 VAL 46 3HG2 VAL 46 2.472 -1.933 -4.369 315 H ASN 47 H ASN 47 -1.363 -3.718 -8.179 316 HA ASN 47 HA ASN 47 -1.827 -5.049 -9.898 317 1HB ASN 47 2HB ASN 47 -0.084 -5.864 -11.310 318 1HD2 ASN 47 1HD2 ASN 47 2.316 -4.108 -9.676 319 2HD2 ASN 47 2HD2 ASN 47 3.387 -5.439 -9.371 320 H ASP 48 H ASP 48 0.546 -7.007 -8.117 321 HA ASP 48 HA ASP 48 -1.487 -8.958 -7.483 322 1HB ASP 48 2HB ASP 48 -0.827 -9.794 -9.647 323 H ARG 49 H ARG 49 1.182 -7.202 -6.814 324 HA ARG 49 HA ARG 49 2.479 -9.095 -5.020 325 1HB ARG 49 2HB ARG 49 3.883 -7.774 -6.547 326 1HG ARG 49 2HG ARG 49 4.360 -6.609 -3.832 327 1HD ARG 49 2HD ARG 49 6.721 -6.939 -4.458 328 HE ARG 49 HE ARG 49 5.675 -4.790 -5.167 329 1HH1 ARG 49 2HH1 ARG 49 6.705 -7.141 -7.550 330 2HH1 ARG 49 1HH1 ARG 49 6.904 -5.955 -8.813 331 1HH2 ARG 49 2HH2 ARG 49 5.900 -3.235 -6.834 332 2HH2 ARG 49 1HH2 ARG 49 6.461 -3.743 -8.407 333 H GLN 50 H GLN 50 1.247 -9.259 -3.228 334 HA GLN 50 HA GLN 50 0.393 -6.793 -1.911 335 1HB GLN 50 2HB GLN 50 -0.944 -8.381 -0.442 336 1HG GLN 50 2HG GLN 50 -1.477 -10.507 -1.955 337 1HE2 GLN 50 1HE2 GLN 50 -2.172 -10.985 0.136 338 2HE2 GLN 50 2HE2 GLN 50 -1.094 -11.632 1.329 339 H GLY 51 H GLY 51 0.851 -6.397 0.248 340 1HA GLY 51 1HA GLY 51 2.383 -7.855 2.010 341 2HA GLY 51 2HA GLY 51 3.537 -7.059 0.942 342 H PHE 52 H PHE 52 4.300 -5.829 2.768 343 HA PHE 52 HA PHE 52 2.349 -3.924 3.845 344 1HB PHE 52 2HB PHE 52 4.947 -4.978 4.953 345 HD1 PHE 52 1HD PHE 52 1.839 -3.918 6.638 346 HD2 PHE 52 2HD PHE 52 4.233 -7.186 5.337 347 HE1 PHE 52 1HE PHE 52 0.450 -5.460 7.960 348 HE2 PHE 52 2HE PHE 52 2.849 -8.731 6.655 349 HZ PHE 52 HZ PHE 52 0.928 -7.839 7.979 350 H VAL 53 H VAL 53 2.736 -1.803 4.006 351 HA VAL 53 HA VAL 53 5.247 -0.651 3.012 352 HB VAL 53 HB VAL 53 3.991 1.164 1.868 353 1HG1 VAL 53 1HG1 VAL 53 4.905 -0.647 0.554 354 2HG1 VAL 53 2HG1 VAL 53 3.441 -1.599 0.816 355 3HG1 VAL 53 3HG1 VAL 53 3.367 -0.109 -0.126 356 1HG2 VAL 53 1HG2 VAL 53 1.626 0.796 1.282 357 2HG2 VAL 53 2HG2 VAL 53 1.599 -0.609 2.346 358 3HG2 VAL 53 3HG2 VAL 53 1.871 1.000 3.016 359 HA PRO 54 HA PRO 54 4.726 2.041 6.548 360 1HB PRO 54 2HB PRO 54 5.568 4.442 5.517 361 1HG PRO 54 2HG PRO 54 5.837 3.837 3.300 362 1HD PRO 54 2HD PRO 54 5.771 1.637 2.621 363 H ALA 55 H ALA 55 2.932 2.940 7.327 364 HA ALA 55 HA ALA 55 0.669 3.442 5.768 365 1HB ALA 55 1HB ALA 55 1.270 4.443 8.551 366 2HB ALA 55 2HB ALA 55 -0.325 4.320 7.807 367 3HB ALA 55 3HB ALA 55 0.606 2.861 8.146 368 H ALA 56 H ALA 56 3.337 5.491 6.457 369 HA ALA 56 HA ALA 56 1.838 7.940 5.965 370 1HB ALA 56 1HB ALA 56 3.927 9.075 6.568 371 2HB ALA 56 2HB ALA 56 3.416 7.931 7.811 372 3HB ALA 56 3HB ALA 56 4.725 7.508 6.706 373 H TYR 57 H TYR 57 3.035 5.681 3.993 374 HA TYR 57 HA TYR 57 4.160 7.616 2.084 375 1HB TYR 57 2HB TYR 57 4.633 4.717 2.511 376 HD1 TYR 57 1HD TYR 57 6.860 5.091 0.241 377 HD2 TYR 57 2HD TYR 57 5.861 7.113 3.847 378 HE1 TYR 57 1HE TYR 57 9.189 5.849 0.452 379 HE2 TYR 57 2HE TYR 57 8.191 7.870 4.072 380 HH TYR 57 HH TYR 57 10.493 7.529 1.516 381 H VAL 58 H VAL 58 1.467 5.624 2.704 382 HA VAL 58 HA VAL 58 0.437 6.221 0.021 383 HB VAL 58 HB VAL 58 -1.192 4.404 0.367 384 1HG1 VAL 58 1HG1 VAL 58 0.409 2.530 0.169 385 2HG1 VAL 58 2HG1 VAL 58 0.876 3.922 -0.812 386 3HG1 VAL 58 3HG1 VAL 58 1.701 3.602 0.717 387 1HG2 VAL 58 1HG2 VAL 58 -0.902 2.826 2.222 388 2HG2 VAL 58 2HG2 VAL 58 0.365 3.851 2.896 389 3HG2 VAL 58 3HG2 VAL 58 -1.296 4.441 2.810 390 H LYS 59 H LYS 59 -1.746 6.955 -0.137 391 HA LYS 59 HA LYS 59 -2.695 8.251 2.336 392 1HB LYS 59 2HB LYS 59 -1.879 9.962 0.885 393 1HG LYS 59 2HG LYS 59 -4.870 9.798 0.591 394 1HD LYS 59 2HD LYS 59 -3.115 12.225 0.296 395 1HE LYS 59 2HE LYS 59 -5.126 13.278 -0.557 396 1HZ LYS 59 1HZ LYS 59 -5.867 11.911 1.967 397 2HZ LYS 59 2HZ LYS 59 -6.352 13.447 1.431 398 3HZ LYS 59 3HZ LYS 59 -4.744 13.182 1.901 399 H LYS 60 H LYS 60 -4.820 8.139 2.812 400 HA LYS 60 HA LYS 60 -6.511 6.246 1.563 401 1HB LYS 60 2HB LYS 60 -7.165 8.573 3.391 402 1HG LYS 60 2HG LYS 60 -5.908 6.682 4.437 403 1HD LYS 60 2HD LYS 60 -6.736 4.752 3.321 404 1HE LYS 60 2HE LYS 60 -8.957 5.672 2.657 405 1HZ LYS 60 1HZ LYS 60 -10.805 5.386 4.221 406 2HZ LYS 60 2HZ LYS 60 -9.711 6.577 4.742 407 3HZ LYS 60 3HZ LYS 60 -9.698 5.039 5.462 408 H LEU 61 H LEU 61 -7.572 6.434 -0.322 409 HA LEU 61 HA LEU 61 -7.914 9.037 -1.537 410 1HB LEU 61 2HB LEU 61 -8.616 6.235 -2.369 411 HG LEU 61 HG LEU 61 -6.214 7.203 -2.695 412 1HD1 LEU 61 1HD1 LEU 61 -7.798 6.093 -5.019 413 2HD1 LEU 61 2HD1 LEU 61 -6.044 6.058 -4.854 414 3HD1 LEU 61 3HD1 LEU 61 -7.053 5.146 -3.731 415 1HD2 LEU 61 1HD2 LEU 61 -5.985 8.497 -4.779 416 2HD2 LEU 61 2HD2 LEU 61 -7.740 8.640 -4.876 417 3HD2 LEU 61 3HD2 LEU 61 -6.863 9.387 -3.541 418 H ASP 62 H ASP 62 -9.239 8.207 0.996 419 HA ASP 62 HA ASP 62 -11.945 9.072 0.278 420 1HB ASP 62 2HB ASP 62 -12.108 6.708 0.861 Start of MODEL 18 1 1H MET 1 1H MET 1 -9.734 -10.306 -4.199 2 2H MET 1 2H MET 1 -9.697 -11.996 -4.199 3 3H MET 1 3H MET 1 -8.246 -11.114 -4.196 4 HA MET 1 HA MET 1 -8.658 -12.001 -2.026 5 1HB MET 1 2HB MET 1 -7.536 -9.829 -2.205 6 1HG MET 1 2HG MET 1 -7.856 -8.920 -0.054 7 1HE MET 1 1HE MET 1 -5.642 -10.358 0.140 8 2HE MET 1 2HE MET 1 -5.629 -12.118 0.221 9 3HE MET 1 3HE MET 1 -6.182 -11.304 -1.246 10 H ASP 2 H ASP 2 -10.809 -9.296 -1.619 11 HA ASP 2 HA ASP 2 -13.267 -10.677 -1.650 12 1HB ASP 2 2HB ASP 2 -13.771 -10.914 0.677 13 H GLU 3 H GLU 3 -11.439 -8.118 -0.002 14 HA GLU 3 HA GLU 3 -11.389 -5.898 -0.519 15 1HB GLU 3 2HB GLU 3 -13.236 -6.777 -2.728 16 1HG GLU 3 2HG GLU 3 -10.458 -5.644 -2.964 17 H THR 4 H THR 4 -13.860 -7.272 1.051 18 HA THR 4 HA THR 4 -15.872 -5.360 1.119 19 HB THR 4 HB THR 4 -15.001 -6.623 3.701 20 HG1 THR 4 1HG THR 4 -15.338 -8.592 2.954 21 1HG2 THR 4 1HG2 THR 4 -17.418 -6.911 3.963 22 2HG2 THR 4 2HG2 THR 4 -17.679 -6.239 2.354 23 3HG2 THR 4 3HG2 THR 4 -17.013 -5.228 3.637 24 H GLY 5 H GLY 5 -12.630 -5.203 2.466 25 1HA GLY 5 1HA GLY 5 -13.268 -2.487 3.466 26 2HA GLY 5 2HA GLY 5 -11.991 -3.502 4.133 27 H LYS 6 H LYS 6 -13.054 -2.098 1.077 28 HA LYS 6 HA LYS 6 -10.482 -2.489 -0.139 29 1HB LYS 6 2HB LYS 6 -12.290 -2.625 -1.680 30 1HG LYS 6 2HG LYS 6 -11.859 -0.874 -3.321 31 1HD LYS 6 2HD LYS 6 -9.441 -1.222 -3.570 32 1HE LYS 6 2HE LYS 6 -9.572 -3.634 -3.801 33 1HZ LYS 6 1HZ LYS 6 -10.858 -2.335 -5.394 34 2HZ LYS 6 2HZ LYS 6 -12.219 -2.399 -4.380 35 3HZ LYS 6 3HZ LYS 6 -11.608 -3.823 -5.071 36 H GLU 7 H GLU 7 -12.209 0.525 0.014 37 HA GLU 7 HA GLU 7 -11.636 2.624 0.616 38 1HB GLU 7 2HB GLU 7 -9.555 1.096 1.997 39 1HG GLU 7 2HG GLU 7 -9.878 2.974 3.671 40 H LEU 8 H LEU 8 -9.037 0.809 -0.992 41 HA LEU 8 HA LEU 8 -7.477 1.374 -2.523 42 1HB LEU 8 2HB LEU 8 -9.532 3.463 -3.225 43 HG LEU 8 HG LEU 8 -10.144 1.104 -3.792 44 1HD1 LEU 8 1HD1 LEU 8 -10.731 1.581 -6.117 45 2HD1 LEU 8 2HD1 LEU 8 -11.022 2.975 -5.078 46 3HD1 LEU 8 3HD1 LEU 8 -9.604 2.937 -6.123 47 1HD2 LEU 8 1HD2 LEU 8 -7.937 0.192 -4.188 48 2HD2 LEU 8 2HD2 LEU 8 -8.910 0.036 -5.650 49 3HD2 LEU 8 3HD2 LEU 8 -7.688 1.303 -5.534 50 H VAL 9 H VAL 9 -5.563 2.155 -1.998 51 HA VAL 9 HA VAL 9 -5.466 4.827 -0.776 52 HB VAL 9 HB VAL 9 -3.185 4.097 0.103 53 1HG1 VAL 9 1HG1 VAL 9 -5.684 2.771 1.174 54 2HG1 VAL 9 2HG1 VAL 9 -4.170 2.942 2.058 55 3HG1 VAL 9 3HG1 VAL 9 -5.084 4.375 1.587 56 1HG2 VAL 9 1HG2 VAL 9 -2.840 1.699 0.402 57 2HG2 VAL 9 2HG2 VAL 9 -4.312 1.365 -0.511 58 3HG2 VAL 9 3HG2 VAL 9 -2.929 2.116 -1.309 59 H LEU 10 H LEU 10 -3.939 6.264 -1.463 60 HA LEU 10 HA LEU 10 -2.991 5.754 -4.185 61 1HB LEU 10 2HB LEU 10 -4.319 7.635 -4.233 62 HG LEU 10 HG LEU 10 -1.589 8.748 -3.693 63 1HD1 LEU 10 1HD1 LEU 10 -1.555 9.049 -6.126 64 2HD1 LEU 10 2HD1 LEU 10 -1.740 7.357 -5.665 65 3HD1 LEU 10 3HD1 LEU 10 -3.136 8.275 -6.230 66 1HD2 LEU 10 1HD2 LEU 10 -3.247 10.444 -3.168 67 2HD2 LEU 10 2HD2 LEU 10 -2.407 10.838 -4.666 68 3HD2 LEU 10 3HD2 LEU 10 -4.038 10.172 -4.720 69 H ALA 11 H ALA 11 -0.894 5.355 -4.488 70 HA ALA 11 HA ALA 11 1.052 5.634 -2.427 71 1HB ALA 11 1HB ALA 11 2.650 4.908 -4.142 72 2HB ALA 11 2HB ALA 11 1.210 3.890 -4.131 73 3HB ALA 11 3HB ALA 11 1.413 5.114 -5.384 74 H LEU 12 H LEU 12 1.690 7.586 -1.757 75 HA LEU 12 HA LEU 12 1.692 9.877 -3.515 76 1HB LEU 12 2HB LEU 12 2.840 9.692 -0.731 77 HG LEU 12 HG LEU 12 0.432 8.991 -0.682 78 1HD1 LEU 12 1HD1 LEU 12 1.476 10.109 1.218 79 2HD1 LEU 12 2HD1 LEU 12 1.057 11.680 0.534 80 3HD1 LEU 12 3HD1 LEU 12 -0.217 10.578 1.054 81 1HD2 LEU 12 1HD2 LEU 12 -1.281 10.634 -1.205 82 2HD2 LEU 12 2HD2 LEU 12 -0.048 11.782 -1.732 83 3HD2 LEU 12 3HD2 LEU 12 -0.307 10.290 -2.637 84 H TYR 13 H TYR 13 4.059 7.787 -1.983 85 HA TYR 13 HA TYR 13 6.180 9.179 -3.474 86 1HB TYR 13 2HB TYR 13 6.706 7.668 -0.920 87 HD1 TYR 13 1HD TYR 13 6.135 8.366 1.189 88 HD2 TYR 13 2HD TYR 13 5.798 11.142 -2.012 89 HE1 TYR 13 1HE TYR 13 5.130 10.001 2.722 90 HE2 TYR 13 2HE TYR 13 4.802 12.788 -0.492 91 HH TYR 13 HH TYR 13 3.569 12.823 1.622 92 H ASP 14 H ASP 14 7.937 7.792 -4.203 93 HA ASP 14 HA ASP 14 6.969 5.160 -4.924 94 1HB ASP 14 2HB ASP 14 9.188 5.022 -6.164 95 H TYR 15 H TYR 15 7.754 3.246 -4.193 96 HA TYR 15 HA TYR 15 9.608 3.414 -1.921 97 1HB TYR 15 2HB TYR 15 7.244 3.482 -1.135 98 HD1 TYR 15 1HD TYR 15 9.039 3.605 0.698 99 HD2 TYR 15 2HD TYR 15 7.400 -0.043 -0.744 100 HE1 TYR 15 1HE TYR 15 9.780 2.463 2.739 101 HE2 TYR 15 2HE TYR 15 8.154 -1.191 1.275 102 HH TYR 15 HH TYR 15 9.263 0.501 4.049 103 H GLN 16 H GLN 16 11.084 1.849 -1.873 104 HA GLN 16 HA GLN 16 10.683 -0.503 -3.590 105 1HB GLN 16 2HB GLN 16 12.992 1.133 -2.995 106 1HG GLN 16 2HG GLN 16 12.524 0.560 -5.258 107 1HE2 GLN 16 1HE2 GLN 16 12.525 -2.279 -3.231 108 2HE2 GLN 16 2HE2 GLN 16 11.940 -3.378 -4.439 109 H GLU 17 H GLU 17 10.316 -2.403 -2.690 110 HA GLU 17 HA GLU 17 10.253 -2.734 0.139 111 1HB GLU 17 2HB GLU 17 9.532 -4.978 -0.293 112 1HG GLU 17 2HG GLU 17 10.614 -4.598 -3.059 113 H LYS 18 H LYS 18 11.857 -3.255 1.457 114 HA LYS 18 HA LYS 18 14.408 -4.097 0.331 115 1HB LYS 18 2HB LYS 18 13.676 -3.480 3.208 116 1HG LYS 18 2HG LYS 18 15.064 -1.725 1.187 117 1HD LYS 18 2HD LYS 18 14.906 -0.026 2.979 118 1HE LYS 18 2HE LYS 18 16.398 -2.537 3.735 119 1HZ LYS 18 1HZ LYS 18 17.845 -1.016 4.963 120 2HZ LYS 18 2HZ LYS 18 16.275 -1.036 5.599 121 3HZ LYS 18 3HZ LYS 18 16.782 0.267 4.640 122 H SER 19 H SER 19 11.649 -5.513 1.540 123 HA SER 19 HA SER 19 12.968 -8.096 1.751 124 1HB SER 19 2HB SER 19 11.835 -8.624 3.870 125 HG SER 19 HG SER 19 10.998 -5.901 3.877 126 HA PRO 20 HA PRO 20 9.443 -9.370 -0.634 127 1HB PRO 20 2HB PRO 20 8.996 -11.881 0.410 128 1HG PRO 20 2HG PRO 20 10.508 -11.795 2.164 129 1HD PRO 20 2HD PRO 20 12.172 -10.187 2.285 130 H ALA 21 H ALA 21 9.265 -9.000 2.738 131 HA ALA 21 HA ALA 21 6.442 -9.580 2.967 132 1HB ALA 21 1HB ALA 21 8.261 -8.193 4.931 133 2HB ALA 21 2HB ALA 21 6.653 -8.839 5.257 134 3HB ALA 21 3HB ALA 21 7.981 -9.933 4.868 135 H GLU 22 H GLU 22 8.471 -6.951 2.156 136 HA GLU 22 HA GLU 22 6.457 -4.905 2.587 137 1HB GLU 22 2HB GLU 22 9.252 -4.907 1.451 138 1HG GLU 22 2HG GLU 22 8.250 -3.223 3.695 139 H VAL 23 H VAL 23 6.461 -3.326 0.477 140 HA VAL 23 HA VAL 23 6.175 -4.945 -1.937 141 HB VAL 23 HB VAL 23 3.953 -3.488 -0.601 142 1HG1 VAL 23 1HG1 VAL 23 4.174 -3.563 -3.597 143 2HG1 VAL 23 2HG1 VAL 23 2.773 -3.037 -2.665 144 3HG1 VAL 23 3HG1 VAL 23 4.276 -2.117 -2.593 145 1HG2 VAL 23 1HG2 VAL 23 4.032 -5.954 -0.788 146 2HG2 VAL 23 2HG2 VAL 23 2.605 -5.237 -1.533 147 3HG2 VAL 23 3HG2 VAL 23 3.936 -5.788 -2.546 148 H THR 24 H THR 24 6.925 -4.048 -3.699 149 HA THR 24 HA THR 24 7.978 -1.358 -3.658 150 HB THR 24 HB THR 24 7.851 -3.333 -5.947 151 HG1 THR 24 1HG THR 24 9.088 -4.145 -4.204 152 1HG2 THR 24 1HG2 THR 24 9.515 -0.844 -5.558 153 2HG2 THR 24 2HG2 THR 24 8.189 -1.043 -6.702 154 3HG2 THR 24 3HG2 THR 24 9.673 -1.976 -6.898 155 H MET 25 H MET 25 6.852 0.370 -4.236 156 HA MET 25 HA MET 25 4.621 0.039 -6.109 157 1HB MET 25 2HB MET 25 3.155 1.395 -4.782 158 1HG MET 25 2HG MET 25 5.363 1.632 -2.749 159 1HE MET 25 1HE MET 25 4.337 4.544 -1.829 160 2HE MET 25 2HE MET 25 3.458 4.102 -0.367 161 3HE MET 25 3HE MET 25 5.002 3.336 -0.731 162 H LYS 26 H LYS 26 4.328 1.684 -7.513 163 HA LYS 26 HA LYS 26 6.342 3.812 -7.447 164 1HB LYS 26 2HB LYS 26 6.311 2.336 -9.422 165 1HG LYS 26 2HG LYS 26 6.171 3.938 -11.211 166 1HD LYS 26 2HD LYS 26 7.659 5.669 -10.396 167 1HE LYS 26 2HE LYS 26 9.332 4.306 -9.150 168 1HZ LYS 26 1HZ LYS 26 9.739 2.761 -10.884 169 2HZ LYS 26 2HZ LYS 26 9.097 4.155 -11.608 170 3HZ LYS 26 3HZ LYS 26 8.124 2.784 -11.395 171 H LYS 27 H LYS 27 5.699 5.869 -7.044 172 HA LYS 27 HA LYS 27 3.131 6.349 -6.075 173 1HB LYS 27 2HB LYS 27 3.765 8.533 -5.630 174 1HG LYS 27 2HG LYS 27 4.407 9.044 -8.065 175 1HD LYS 27 2HD LYS 27 6.973 8.008 -6.955 176 1HE LYS 27 2HE LYS 27 6.858 10.016 -9.183 177 1HZ LYS 27 1HZ LYS 27 8.785 8.608 -9.222 178 2HZ LYS 27 2HZ LYS 27 9.085 8.882 -7.574 179 3HZ LYS 27 3HZ LYS 27 9.255 10.149 -8.688 180 H GLY 28 H GLY 28 1.429 7.602 -6.795 181 1HA GLY 28 1HA GLY 28 0.178 8.677 -8.513 182 2HA GLY 28 2HA GLY 28 1.301 8.024 -9.699 183 H ASP 29 H ASP 29 1.135 5.389 -8.192 184 HA ASP 29 HA ASP 29 -1.123 4.327 -9.652 185 1HB ASP 29 2HB ASP 29 1.132 3.128 -8.088 186 H ILE 30 H ILE 30 -2.973 3.495 -8.821 187 HA ILE 30 HA ILE 30 -3.561 4.055 -6.009 188 HB ILE 30 HB ILE 30 -5.429 2.996 -8.136 189 1HG1 ILE 30 2HG1 ILE 30 -4.606 5.153 -8.870 190 1HG2 ILE 30 1HG2 ILE 30 -5.955 4.296 -5.466 191 2HG2 ILE 30 2HG2 ILE 30 -7.189 3.819 -6.634 192 3HG2 ILE 30 3HG2 ILE 30 -6.182 2.592 -5.865 193 1HD1 ILE 30 1HD1 ILE 30 -4.891 7.184 -7.581 194 2HD1 ILE 30 2HD1 ILE 30 -5.437 6.238 -6.196 195 3HD1 ILE 30 3HD1 ILE 30 -3.781 6.071 -6.781 196 H LEU 31 H LEU 31 -3.453 2.475 -4.517 197 HA LEU 31 HA LEU 31 -3.170 -0.289 -5.504 198 1HB LEU 31 2HB LEU 31 -2.472 0.389 -2.704 199 HG LEU 31 HG LEU 31 -1.234 2.195 -3.673 200 1HD1 LEU 31 1HD1 LEU 31 1.032 1.491 -3.191 201 2HD1 LEU 31 2HD1 LEU 31 -0.093 0.778 -2.033 202 3HD1 LEU 31 3HD1 LEU 31 0.554 -0.202 -3.351 203 1HD2 LEU 31 1HD2 LEU 31 0.321 1.898 -5.516 204 2HD2 LEU 31 2HD2 LEU 31 -0.171 0.212 -5.677 205 3HD2 LEU 31 3HD2 LEU 31 -1.326 1.500 -6.018 206 H THR 32 H THR 32 -4.108 -1.985 -4.201 207 HA THR 32 HA THR 32 -6.668 -1.226 -3.037 208 HB THR 32 HB THR 32 -5.447 -3.961 -3.497 209 HG1 THR 32 1HG THR 32 -6.736 -4.023 -5.309 210 1HG2 THR 32 1HG2 THR 32 -7.062 -3.997 -1.658 211 2HG2 THR 32 2HG2 THR 32 -7.710 -4.826 -3.073 212 3HG2 THR 32 3HG2 THR 32 -8.267 -3.191 -2.680 213 H LEU 33 H LEU 33 -7.060 -1.164 -0.877 214 HA LEU 33 HA LEU 33 -4.853 -1.617 0.900 215 1HB LEU 33 2HB LEU 33 -7.234 -0.070 0.999 216 HG LEU 33 HG LEU 33 -5.258 0.995 1.671 217 1HD1 LEU 33 1HD1 LEU 33 -5.730 1.695 3.968 218 2HD1 LEU 33 2HD1 LEU 33 -7.180 1.661 2.957 219 3HD1 LEU 33 3HD1 LEU 33 -6.884 0.371 4.122 220 1HD2 LEU 33 1HD2 LEU 33 -3.841 0.226 3.499 221 2HD2 LEU 33 2HD2 LEU 33 -4.881 -1.180 3.726 222 3HD2 LEU 33 3HD2 LEU 33 -3.957 -0.997 2.235 223 H LEU 34 H LEU 34 -4.596 -3.194 2.306 224 HA LEU 34 HA LEU 34 -6.625 -5.321 2.436 225 1HB LEU 34 2HB LEU 34 -3.612 -5.484 2.453 226 HG LEU 34 HG LEU 34 -4.625 -5.247 0.192 227 1HD1 LEU 34 1HD1 LEU 34 -2.532 -6.475 0.548 228 2HD1 LEU 34 2HD1 LEU 34 -3.450 -7.963 0.769 229 3HD1 LEU 34 3HD1 LEU 34 -3.471 -7.138 -0.787 230 1HD2 LEU 34 1HD2 LEU 34 -6.769 -6.281 0.562 231 2HD2 LEU 34 2HD2 LEU 34 -5.909 -7.151 -0.706 232 3HD2 LEU 34 3HD2 LEU 34 -6.003 -7.830 0.920 233 H ASN 35 H ASN 35 -4.426 -3.250 4.150 234 HA ASN 35 HA ASN 35 -5.822 -3.820 6.613 235 1HB ASN 35 2HB ASN 35 -4.272 -5.362 7.242 236 1HD2 ASN 35 1HD2 ASN 35 -1.753 -2.963 6.799 237 2HD2 ASN 35 2HD2 ASN 35 -1.541 -2.623 8.478 238 H SER 36 H SER 36 -6.171 -1.958 7.632 239 HA SER 36 HA SER 36 -3.962 -0.036 7.736 240 1HB SER 36 2HB SER 36 -5.690 1.829 7.678 241 HG SER 36 HG SER 36 -7.315 -0.367 7.102 242 H THR 37 H THR 37 -5.185 -2.156 9.503 243 HA THR 37 HA THR 37 -6.141 -0.579 11.753 244 HB THR 37 HB THR 37 -7.157 -2.802 11.205 245 HG1 THR 37 1HG THR 37 -6.436 -1.843 13.609 246 1HG2 THR 37 1HG2 THR 37 -5.975 -4.840 11.850 247 2HG2 THR 37 2HG2 THR 37 -4.545 -3.895 12.259 248 3HG2 THR 37 3HG2 THR 37 -5.092 -3.985 10.585 249 H ASN 38 H ASN 38 -3.205 -1.679 10.498 250 HA ASN 38 HA ASN 38 -1.803 -1.524 13.057 251 1HB ASN 38 2HB ASN 38 -1.213 -3.284 11.341 252 1HD2 ASN 38 1HD2 ASN 38 1.387 -2.991 10.276 253 2HD2 ASN 38 2HD2 ASN 38 2.473 -2.820 11.613 254 H LYS 39 H LYS 39 -0.807 0.323 13.719 255 HA LYS 39 HA LYS 39 -1.367 2.705 12.232 256 1HB LYS 39 2HB LYS 39 -0.652 3.898 14.122 257 1HG LYS 39 2HG LYS 39 1.021 1.532 14.943 258 1HD LYS 39 2HD LYS 39 0.530 4.184 16.275 259 1HE LYS 39 2HE LYS 39 2.881 3.777 16.376 260 1HZ LYS 39 1HZ LYS 39 3.778 1.694 17.234 261 2HZ LYS 39 2HZ LYS 39 2.926 1.437 15.790 262 3HZ LYS 39 3HZ LYS 39 2.222 1.020 17.276 263 H ASP 40 H ASP 40 1.174 0.508 12.098 264 HA ASP 40 HA ASP 40 3.131 2.550 11.289 265 1HB ASP 40 2HB ASP 40 3.601 -0.333 12.089 266 H TRP 41 H TRP 41 2.484 -0.842 10.477 267 HA TRP 41 HA TRP 41 3.228 -0.231 7.709 268 1HB TRP 41 2HB TRP 41 3.246 -2.805 9.281 269 HD1 TRP 41 HD TRP 41 5.218 -1.996 10.849 270 HE1 TRP 41 1HE TRP 41 7.706 -1.527 10.412 271 HE3 TRP 41 3HE TRP 41 5.117 -1.805 5.743 272 HZ2 TRP 41 2HZ TRP 41 9.405 -1.116 8.193 273 HZ3 TRP 41 3HZ TRP 41 7.220 -1.372 4.538 274 HH2 TRP 41 HH TRP 41 9.317 -1.035 5.742 275 H TRP 42 H TRP 42 1.735 -0.232 6.205 276 HA TRP 42 HA TRP 42 -0.852 -1.491 6.766 277 1HB TRP 42 2HB TRP 42 0.020 0.672 4.874 278 HD1 TRP 42 HD TRP 42 -0.769 0.268 8.261 279 HE1 TRP 42 1HE TRP 42 -2.158 2.199 9.231 280 HE3 TRP 42 3HE TRP 42 -2.434 2.266 3.913 281 HZ2 TRP 42 2HZ TRP 42 -3.759 4.323 8.252 282 HZ3 TRP 42 3HZ TRP 42 -3.901 4.261 3.988 283 HH2 TRP 42 HH TRP 42 -4.535 5.263 6.118 284 H LYS 43 H LYS 43 -1.871 -2.710 5.030 285 HA LYS 43 HA LYS 43 0.158 -4.167 3.465 286 1HB LYS 43 2HB LYS 43 -1.280 -5.387 5.297 287 1HG LYS 43 2HG LYS 43 -1.198 -6.550 2.528 288 1HD LYS 43 2HD LYS 43 -1.112 -7.869 5.245 289 1HE LYS 43 2HE LYS 43 -1.508 -9.937 3.934 290 1HZ LYS 43 1HZ LYS 43 0.987 -8.492 3.228 291 2HZ LYS 43 2HZ LYS 43 0.740 -10.154 3.041 292 3HZ LYS 43 3HZ LYS 43 0.746 -9.468 4.593 293 H VAL 44 H VAL 44 0.016 -3.939 1.346 294 HA VAL 44 HA VAL 44 -2.549 -3.052 0.209 295 HB VAL 44 HB VAL 44 -1.276 -1.581 -1.361 296 1HG1 VAL 44 1HG1 VAL 44 -0.967 -0.915 1.565 297 2HG1 VAL 44 2HG1 VAL 44 -0.908 0.240 0.234 298 3HG1 VAL 44 3HG1 VAL 44 -2.403 -0.629 0.581 299 1HG2 VAL 44 1HG2 VAL 44 0.911 -2.675 -1.128 300 2HG2 VAL 44 2HG2 VAL 44 1.006 -0.941 -0.821 301 3HG2 VAL 44 3HG2 VAL 44 1.027 -2.077 0.528 302 H GLU 45 H GLU 45 -2.873 -3.600 -1.983 303 HA GLU 45 HA GLU 45 -1.075 -5.714 -2.957 304 1HB GLU 45 2HB GLU 45 -3.372 -6.486 -2.503 305 1HG GLU 45 2HG GLU 45 -2.726 -6.345 -5.441 306 H VAL 46 H VAL 46 0.131 -5.178 -4.584 307 HA VAL 46 HA VAL 46 -0.852 -3.273 -6.600 308 HB VAL 46 HB VAL 46 2.063 -3.294 -6.062 309 1HG1 VAL 46 1HG1 VAL 46 1.517 -1.818 -7.755 310 2HG1 VAL 46 2HG1 VAL 46 0.050 -1.271 -6.936 311 3HG1 VAL 46 3HG1 VAL 46 1.630 -0.766 -6.346 312 1HG2 VAL 46 1HG2 VAL 46 0.155 -1.919 -4.195 313 2HG2 VAL 46 2HG2 VAL 46 1.291 -3.204 -3.793 314 3HG2 VAL 46 3HG2 VAL 46 1.890 -1.617 -4.268 315 H ASN 47 H ASN 47 -0.281 -3.870 -8.706 316 HA ASN 47 HA ASN 47 -0.037 -5.351 -10.357 317 1HB ASN 47 2HB ASN 47 2.188 -6.431 -10.613 318 1HD2 ASN 47 1HD2 ASN 47 3.323 -4.011 -8.448 319 2HD2 ASN 47 2HD2 ASN 47 4.205 -5.074 -7.401 320 H ASP 48 H ASP 48 1.593 -7.507 -8.042 321 HA ASP 48 HA ASP 48 -0.772 -9.147 -7.800 322 1HB ASP 48 2HB ASP 48 0.304 -9.845 -9.971 323 H ARG 49 H ARG 49 1.440 -7.625 -6.299 324 HA ARG 49 HA ARG 49 2.210 -9.819 -4.505 325 1HB ARG 49 2HB ARG 49 4.090 -8.832 -5.825 326 1HG ARG 49 2HG ARG 49 4.597 -7.956 -3.033 327 1HD ARG 49 2HD ARG 49 6.684 -9.279 -3.414 328 HE ARG 49 HE ARG 49 7.034 -6.988 -3.952 329 1HH1 ARG 49 2HH1 ARG 49 5.985 -8.891 -6.727 330 2HH1 ARG 49 1HH1 ARG 49 6.615 -7.751 -7.881 331 1HH2 ARG 49 2HH2 ARG 49 7.838 -5.536 -5.445 332 2HH2 ARG 49 1HH2 ARG 49 7.639 -5.818 -7.150 333 H GLN 50 H GLN 50 1.277 -9.689 -2.607 334 HA GLN 50 HA GLN 50 0.236 -7.094 -1.690 335 1HB GLN 50 2HB GLN 50 -0.445 -9.782 -0.513 336 1HG GLN 50 2HG GLN 50 -2.047 -8.504 -2.712 337 1HE2 GLN 50 1HE2 GLN 50 -3.828 -9.731 -3.326 338 2HE2 GLN 50 2HE2 GLN 50 -4.436 -11.032 -2.352 339 H GLY 51 H GLY 51 1.409 -6.095 -0.183 340 1HA GLY 51 1HA GLY 51 2.659 -7.628 1.947 341 2HA GLY 51 2HA GLY 51 3.765 -6.797 0.863 342 H PHE 52 H PHE 52 4.405 -5.727 2.887 343 HA PHE 52 HA PHE 52 2.455 -3.777 3.861 344 1HB PHE 52 2HB PHE 52 5.048 -4.791 5.009 345 HD1 PHE 52 1HD PHE 52 1.658 -3.835 6.230 346 HD2 PHE 52 2HD PHE 52 4.629 -6.865 5.889 347 HE1 PHE 52 1HE PHE 52 0.287 -5.326 7.624 348 HE2 PHE 52 2HE PHE 52 3.257 -8.366 7.277 349 HZ PHE 52 HZ PHE 52 1.088 -7.590 8.154 350 H VAL 53 H VAL 53 2.743 -1.669 3.866 351 HA VAL 53 HA VAL 53 5.272 -0.496 2.926 352 HB VAL 53 HB VAL 53 4.013 1.245 1.686 353 1HG1 VAL 53 1HG1 VAL 53 3.424 -1.560 0.742 354 2HG1 VAL 53 2HG1 VAL 53 3.401 -0.107 -0.258 355 3HG1 VAL 53 3HG1 VAL 53 4.914 -0.661 0.461 356 1HG2 VAL 53 1HG2 VAL 53 1.604 -0.499 2.191 357 2HG2 VAL 53 2HG2 VAL 53 1.898 1.092 2.893 358 3HG2 VAL 53 3HG2 VAL 53 1.653 0.929 1.156 359 HA PRO 54 HA PRO 54 4.612 2.182 6.415 360 1HB PRO 54 2HB PRO 54 5.440 4.579 5.087 361 1HG PRO 54 2HG PRO 54 7.001 3.844 3.608 362 1HD PRO 54 2HD PRO 54 5.460 2.508 2.571 363 H ALA 55 H ALA 55 2.847 3.108 7.212 364 HA ALA 55 HA ALA 55 0.591 3.706 5.670 365 1HB ALA 55 1HB ALA 55 0.514 3.123 8.054 366 2HB ALA 55 2HB ALA 55 1.247 4.676 8.455 367 3HB ALA 55 3HB ALA 55 -0.357 4.620 7.722 368 H ALA 56 H ALA 56 3.260 5.711 6.684 369 HA ALA 56 HA ALA 56 1.975 8.215 6.163 370 1HB ALA 56 1HB ALA 56 4.900 7.559 6.488 371 2HB ALA 56 2HB ALA 56 4.201 9.180 6.495 372 3HB ALA 56 3HB ALA 56 3.793 8.034 7.774 373 H TYR 57 H TYR 57 3.182 5.840 4.119 374 HA TYR 57 HA TYR 57 4.130 7.737 2.097 375 1HB TYR 57 2HB TYR 57 4.462 4.776 2.432 376 HD1 TYR 57 1HD TYR 57 6.925 5.274 0.438 377 HD2 TYR 57 2HD TYR 57 5.643 6.942 4.127 378 HE1 TYR 57 1HE TYR 57 9.250 5.873 0.966 379 HE2 TYR 57 2HE TYR 57 7.960 7.541 4.671 380 HH TYR 57 HH TYR 57 10.268 6.700 4.032 381 H VAL 58 H VAL 58 1.461 5.633 2.767 382 HA VAL 58 HA VAL 58 0.381 6.252 0.100 383 HB VAL 58 HB VAL 58 -1.138 4.364 0.365 384 1HG1 VAL 58 1HG1 VAL 58 1.767 3.683 0.815 385 2HG1 VAL 58 2HG1 VAL 58 0.541 2.540 0.259 386 3HG1 VAL 58 3HG1 VAL 58 0.957 3.935 -0.736 387 1HG2 VAL 58 1HG2 VAL 58 0.297 3.864 2.973 388 2HG2 VAL 58 2HG2 VAL 58 -1.388 4.353 2.785 389 3HG2 VAL 58 3HG2 VAL 58 -0.859 2.768 2.216 390 H LYS 59 H LYS 59 -1.702 7.072 -0.073 391 HA LYS 59 HA LYS 59 -2.675 8.285 2.423 392 1HB LYS 59 2HB LYS 59 -1.889 9.947 0.846 393 1HG LYS 59 2HG LYS 59 -4.891 9.966 0.712 394 1HD LYS 59 2HD LYS 59 -2.899 12.225 0.792 395 1HE LYS 59 2HE LYS 59 -4.814 13.617 0.237 396 1HZ LYS 59 1HZ LYS 59 -5.290 11.909 2.627 397 2HZ LYS 59 2HZ LYS 59 -6.084 13.373 2.313 398 3HZ LYS 59 3HZ LYS 59 -4.409 13.361 2.575 399 H LYS 60 H LYS 60 -4.728 8.079 3.001 400 HA LYS 60 HA LYS 60 -6.247 5.942 1.811 401 1HB LYS 60 2HB LYS 60 -6.130 6.639 4.324 402 1HG LYS 60 2HG LYS 60 -8.919 6.395 4.221 403 1HD LYS 60 2HD LYS 60 -6.938 4.145 4.428 404 1HE LYS 60 2HE LYS 60 -9.014 4.362 6.465 405 1HZ LYS 60 1HZ LYS 60 -8.263 2.243 4.539 406 2HZ LYS 60 2HZ LYS 60 -9.488 2.071 5.685 407 3HZ LYS 60 3HZ LYS 60 -7.888 2.310 6.187 408 H LEU 61 H LEU 61 -7.165 6.371 -0.142 409 HA LEU 61 HA LEU 61 -8.210 8.954 -0.841 410 1HB LEU 61 2HB LEU 61 -8.342 6.253 -2.187 411 HG LEU 61 HG LEU 61 -6.091 7.459 -2.275 412 1HD1 LEU 61 1HD1 LEU 61 -7.565 6.985 -4.867 413 2HD1 LEU 61 2HD1 LEU 61 -5.815 6.988 -4.643 414 3HD1 LEU 61 3HD1 LEU 61 -6.801 5.741 -3.880 415 1HD2 LEU 61 1HD2 LEU 61 -5.965 9.298 -3.926 416 2HD2 LEU 61 2HD2 LEU 61 -7.727 9.359 -3.963 417 3HD2 LEU 61 3HD2 LEU 61 -6.860 9.748 -2.476 418 H ASP 62 H ASP 62 -9.382 8.512 1.356 419 HA ASP 62 HA ASP 62 -12.155 7.814 0.822 420 1HB ASP 62 2HB ASP 62 -11.086 5.696 1.562 Start of MODEL 19 1 1H MET 1 1H MET 1 -6.014 -5.261 -5.657 2 2H MET 1 2H MET 1 -5.715 -6.729 -6.446 3 3H MET 1 3H MET 1 -7.297 -6.329 -5.964 4 HA MET 1 HA MET 1 -5.674 -5.044 -8.076 5 1HB MET 1 2HB MET 1 -6.717 -6.986 -8.932 6 1HG MET 1 2HG MET 1 -8.699 -4.782 -9.441 7 1HE MET 1 1HE MET 1 -10.092 -6.109 -12.833 8 2HE MET 1 2HE MET 1 -10.190 -4.843 -11.608 9 3HE MET 1 3HE MET 1 -8.725 -5.024 -12.573 10 H ASP 2 H ASP 2 -8.941 -5.035 -6.696 11 HA ASP 2 HA ASP 2 -9.038 -2.388 -5.853 12 1HB ASP 2 2HB ASP 2 -10.117 -1.153 -7.556 13 H GLU 3 H GLU 3 -10.532 -5.142 -7.257 14 HA GLU 3 HA GLU 3 -12.311 -6.425 -6.732 15 1HB GLU 3 2HB GLU 3 -12.363 -5.131 -4.019 16 1HG GLU 3 2HG GLU 3 -10.078 -5.541 -4.076 17 H THR 4 H THR 4 -13.107 -4.343 -8.208 18 HA THR 4 HA THR 4 -15.054 -3.253 -8.895 19 HB THR 4 HB THR 4 -16.389 -4.334 -6.405 20 HG1 THR 4 1HG THR 4 -15.185 -5.804 -8.148 21 1HG2 THR 4 1HG2 THR 4 -18.393 -4.302 -7.828 22 2HG2 THR 4 2HG2 THR 4 -17.443 -3.620 -9.149 23 3HG2 THR 4 3HG2 THR 4 -17.690 -2.691 -7.669 24 H GLY 5 H GLY 5 -13.395 -2.539 -6.088 25 1HA GLY 5 1HA GLY 5 -13.187 -0.070 -5.748 26 2HA GLY 5 2HA GLY 5 -14.949 -0.061 -5.675 27 H LYS 6 H LYS 6 -13.109 0.826 -3.643 28 HA LYS 6 HA LYS 6 -14.044 -0.419 -1.327 29 1HB LYS 6 2HB LYS 6 -12.136 -1.703 -0.571 30 1HG LYS 6 2HG LYS 6 -10.820 -1.368 -3.254 31 1HD LYS 6 2HD LYS 6 -8.864 -2.247 -2.067 32 1HE LYS 6 2HE LYS 6 -10.599 -3.760 -3.223 33 1HZ LYS 6 1HZ LYS 6 -12.309 -4.012 -1.686 34 2HZ LYS 6 2HZ LYS 6 -11.253 -4.215 -0.376 35 3HZ LYS 6 3HZ LYS 6 -11.431 -5.451 -1.520 36 H GLU 7 H GLU 7 -11.743 -0.106 0.311 37 HA GLU 7 HA GLU 7 -11.675 2.639 0.758 38 1HB GLU 7 2HB GLU 7 -9.566 0.611 1.538 39 1HG GLU 7 2HG GLU 7 -10.696 0.828 3.796 40 H LEU 8 H LEU 8 -9.178 0.591 -0.773 41 HA LEU 8 HA LEU 8 -7.437 1.029 -2.135 42 1HB LEU 8 2HB LEU 8 -9.235 3.297 -2.980 43 HG LEU 8 HG LEU 8 -10.071 0.978 -3.484 44 1HD1 LEU 8 1HD1 LEU 8 -10.774 2.878 -4.813 45 2HD1 LEU 8 2HD1 LEU 8 -9.329 2.738 -5.815 46 3HD1 LEU 8 3HD1 LEU 8 -10.548 1.465 -5.845 47 1HD2 LEU 8 1HD2 LEU 8 -7.916 -0.118 -3.850 48 2HD2 LEU 8 2HD2 LEU 8 -8.953 -0.270 -5.268 49 3HD2 LEU 8 3HD2 LEU 8 -7.634 0.899 -5.264 50 H VAL 9 H VAL 9 -5.523 2.226 -2.363 51 HA VAL 9 HA VAL 9 -5.341 4.678 -0.767 52 HB VAL 9 HB VAL 9 -2.970 3.928 -0.120 53 1HG1 VAL 9 1HG1 VAL 9 -4.722 4.193 1.518 54 2HG1 VAL 9 2HG1 VAL 9 -5.383 2.608 1.113 55 3HG1 VAL 9 3HG1 VAL 9 -3.798 2.734 1.874 56 1HG2 VAL 9 1HG2 VAL 9 -2.836 1.987 -1.589 57 2HG2 VAL 9 2HG2 VAL 9 -2.653 1.510 0.098 58 3HG2 VAL 9 3HG2 VAL 9 -4.182 1.232 -0.732 59 H LEU 10 H LEU 10 -3.901 6.174 -1.463 60 HA LEU 10 HA LEU 10 -2.940 5.773 -4.199 61 1HB LEU 10 2HB LEU 10 -4.311 7.616 -4.243 62 HG LEU 10 HG LEU 10 -1.606 8.742 -3.638 63 1HD1 LEU 10 1HD1 LEU 10 -1.609 9.207 -6.045 64 2HD1 LEU 10 2HD1 LEU 10 -1.789 7.487 -5.695 65 3HD1 LEU 10 3HD1 LEU 10 -3.193 8.441 -6.174 66 1HD2 LEU 10 1HD2 LEU 10 -4.072 10.234 -4.514 67 2HD2 LEU 10 2HD2 LEU 10 -3.228 10.413 -2.974 68 3HD2 LEU 10 3HD2 LEU 10 -2.436 10.891 -4.474 69 H ALA 11 H ALA 11 -0.830 5.485 -4.493 70 HA ALA 11 HA ALA 11 1.043 5.732 -2.351 71 1HB ALA 11 1HB ALA 11 2.698 5.029 -3.989 72 2HB ALA 11 2HB ALA 11 1.254 4.024 -4.122 73 3HB ALA 11 3HB ALA 11 1.550 5.306 -5.299 74 H LEU 12 H LEU 12 1.793 7.626 -1.662 75 HA LEU 12 HA LEU 12 1.734 9.975 -3.363 76 1HB LEU 12 2HB LEU 12 2.905 9.726 -0.596 77 HG LEU 12 HG LEU 12 0.507 9.027 -0.535 78 1HD1 LEU 12 1HD1 LEU 12 -0.114 10.534 1.260 79 2HD1 LEU 12 2HD1 LEU 12 1.603 10.136 1.364 80 3HD1 LEU 12 3HD1 LEU 12 1.096 11.702 0.728 81 1HD2 LEU 12 1HD2 LEU 12 0.013 11.835 -1.533 82 2HD2 LEU 12 2HD2 LEU 12 -0.273 10.355 -2.449 83 3HD2 LEU 12 3HD2 LEU 12 -1.214 10.690 -0.996 84 H TYR 13 H TYR 13 4.055 7.773 -1.994 85 HA TYR 13 HA TYR 13 6.210 9.169 -3.425 86 1HB TYR 13 2HB TYR 13 6.693 7.583 -0.909 87 HD1 TYR 13 1HD TYR 13 6.289 8.302 1.236 88 HD2 TYR 13 2HD TYR 13 5.867 11.100 -1.934 89 HE1 TYR 13 1HE TYR 13 5.430 9.962 2.824 90 HE2 TYR 13 2HE TYR 13 5.016 12.774 -0.354 91 HH TYR 13 HH TYR 13 5.301 12.455 2.980 92 H ASP 14 H ASP 14 7.870 7.752 -4.269 93 HA ASP 14 HA ASP 14 6.908 5.136 -4.977 94 1HB ASP 14 2HB ASP 14 8.849 4.940 -6.332 95 H TYR 15 H TYR 15 7.889 3.135 -4.370 96 HA TYR 15 HA TYR 15 9.590 3.259 -1.996 97 1HB TYR 15 2HB TYR 15 7.190 3.318 -1.262 98 HD1 TYR 15 1HD TYR 15 9.133 3.472 0.489 99 HD2 TYR 15 2HD TYR 15 7.275 -0.159 -0.708 100 HE1 TYR 15 1HE TYR 15 9.889 2.412 2.565 101 HE2 TYR 15 2HE TYR 15 8.050 -1.242 1.357 102 HH TYR 15 HH TYR 15 9.713 -0.993 3.073 103 H GLN 16 H GLN 16 11.217 1.954 -2.397 104 HA GLN 16 HA GLN 16 10.834 -0.508 -3.904 105 1HB GLN 16 2HB GLN 16 12.840 0.749 -4.410 106 1HG GLN 16 2HG GLN 16 14.632 -0.786 -4.020 107 1HE2 GLN 16 1HE2 GLN 16 12.060 -2.982 -3.215 108 2HE2 GLN 16 2HE2 GLN 16 11.800 -3.592 -4.825 109 H GLU 17 H GLU 17 10.115 -2.247 -2.860 110 HA GLU 17 HA GLU 17 9.906 -2.586 -0.120 111 1HB GLU 17 2HB GLU 17 9.425 -4.903 -0.564 112 1HG GLU 17 2HG GLU 17 11.051 -4.488 -2.999 113 H LYS 18 H LYS 18 11.223 -3.233 1.476 114 HA LYS 18 HA LYS 18 14.023 -3.658 0.830 115 1HB LYS 18 2HB LYS 18 13.713 -2.030 2.527 116 1HG LYS 18 2HG LYS 18 14.342 -4.608 3.865 117 1HD LYS 18 2HD LYS 18 13.579 -2.979 5.504 118 1HE LYS 18 2HE LYS 18 15.829 -1.167 4.728 119 1HZ LYS 18 1HZ LYS 18 14.730 -0.899 6.895 120 2HZ LYS 18 2HZ LYS 18 13.247 -0.659 6.101 121 3HZ LYS 18 3HZ LYS 18 14.509 0.450 5.886 122 H SER 19 H SER 19 11.250 -5.455 1.752 123 HA SER 19 HA SER 19 12.849 -7.875 1.974 124 1HB SER 19 2HB SER 19 11.706 -8.562 4.046 125 HG SER 19 HG SER 19 10.621 -5.942 4.178 126 HA PRO 20 HA PRO 20 9.572 -9.616 -0.481 127 1HB PRO 20 2HB PRO 20 9.230 -12.067 0.774 128 1HG PRO 20 2HG PRO 20 10.715 -11.758 2.517 129 1HD PRO 20 2HD PRO 20 12.278 -10.034 2.520 130 H ALA 21 H ALA 21 9.141 -8.934 2.814 131 HA ALA 21 HA ALA 21 6.330 -9.696 2.840 132 1HB ALA 21 1HB ALA 21 7.612 -10.069 4.874 133 2HB ALA 21 2HB ALA 21 8.018 -8.354 4.952 134 3HB ALA 21 3HB ALA 21 6.345 -8.873 5.154 135 H GLU 22 H GLU 22 8.293 -7.093 2.000 136 HA GLU 22 HA GLU 22 6.173 -5.092 2.237 137 1HB GLU 22 2HB GLU 22 9.077 -4.941 1.410 138 1HG GLU 22 2HG GLU 22 7.800 -3.388 3.602 139 H VAL 23 H VAL 23 6.074 -3.616 0.161 140 HA VAL 23 HA VAL 23 6.481 -5.244 -2.255 141 HB VAL 23 HB VAL 23 4.391 -4.953 -3.150 142 1HG1 VAL 23 1HG1 VAL 23 3.769 -4.939 -0.215 143 2HG1 VAL 23 2HG1 VAL 23 2.694 -5.464 -1.511 144 3HG1 VAL 23 3HG1 VAL 23 4.178 -6.356 -1.179 145 1HG2 VAL 23 1HG2 VAL 23 3.959 -2.616 -1.322 146 2HG2 VAL 23 2HG2 VAL 23 4.267 -2.560 -3.054 147 3HG2 VAL 23 3HG2 VAL 23 2.760 -3.248 -2.447 148 H THR 24 H THR 24 6.989 -4.126 -4.111 149 HA THR 24 HA THR 24 7.921 -1.408 -3.797 150 HB THR 24 HB THR 24 7.991 -3.261 -6.185 151 HG1 THR 24 1HG THR 24 9.494 -4.095 -4.925 152 1HG2 THR 24 1HG2 THR 24 8.065 -0.897 -6.861 153 2HG2 THR 24 2HG2 THR 24 9.607 -1.702 -7.139 154 3HG2 THR 24 3HG2 THR 24 9.414 -0.631 -5.753 155 H MET 25 H MET 25 6.968 0.385 -4.548 156 HA MET 25 HA MET 25 4.677 0.166 -6.353 157 1HB MET 25 2HB MET 25 3.238 1.483 -4.930 158 1HG MET 25 2HG MET 25 5.453 1.463 -2.888 159 1HE MET 25 1HE MET 25 5.184 3.055 -0.775 160 2HE MET 25 2HE MET 25 4.491 4.368 -1.727 161 3HE MET 25 3HE MET 25 3.660 3.791 -0.285 162 H LYS 26 H LYS 26 4.204 2.090 -7.479 163 HA LYS 26 HA LYS 26 6.203 4.223 -7.175 164 1HB LYS 26 2HB LYS 26 4.716 3.269 -9.618 165 1HG LYS 26 2HG LYS 26 6.910 2.207 -9.116 166 1HD LYS 26 2HD LYS 26 7.879 5.037 -9.515 167 1HE LYS 26 2HE LYS 26 9.442 2.452 -9.536 168 1HZ LYS 26 1HZ LYS 26 10.667 4.114 -8.352 169 2HZ LYS 26 2HZ LYS 26 10.382 5.265 -9.562 170 3HZ LYS 26 3HZ LYS 26 11.360 3.923 -9.890 171 H LYS 27 H LYS 27 5.530 6.233 -6.797 172 HA LYS 27 HA LYS 27 2.995 6.750 -5.816 173 1HB LYS 27 2HB LYS 27 3.618 8.982 -5.586 174 1HG LYS 27 2HG LYS 27 4.148 9.277 -8.078 175 1HD LYS 27 2HD LYS 27 6.877 8.630 -6.970 176 1HE LYS 27 2HE LYS 27 6.240 9.720 -9.692 177 1HZ LYS 27 1HZ LYS 27 8.786 9.307 -8.226 178 2HZ LYS 27 2HZ LYS 27 8.653 10.126 -9.706 179 3HZ LYS 27 3HZ LYS 27 8.260 8.475 -9.611 180 H GLY 28 H GLY 28 1.232 7.871 -6.584 181 1HA GLY 28 1HA GLY 28 -0.112 8.807 -8.300 182 2HA GLY 28 2HA GLY 28 1.026 8.195 -9.493 183 H ASP 29 H ASP 29 1.038 5.544 -8.050 184 HA ASP 29 HA ASP 29 -1.152 4.414 -9.534 185 1HB ASP 29 2HB ASP 29 1.096 3.257 -7.915 186 H ILE 30 H ILE 30 -2.869 3.269 -8.745 187 HA ILE 30 HA ILE 30 -3.682 3.938 -6.009 188 HB ILE 30 HB ILE 30 -5.390 2.715 -8.180 189 1HG1 ILE 30 2HG1 ILE 30 -4.591 4.834 -9.046 190 1HG2 ILE 30 1HG2 ILE 30 -7.248 3.629 -6.839 191 2HG2 ILE 30 2HG2 ILE 30 -6.284 2.443 -5.956 192 3HG2 ILE 30 3HG2 ILE 30 -6.080 4.165 -5.631 193 1HD1 ILE 30 1HD1 ILE 30 -5.578 6.102 -6.509 194 2HD1 ILE 30 2HD1 ILE 30 -3.890 5.928 -6.989 195 3HD1 ILE 30 3HD1 ILE 30 -4.976 6.949 -7.933 196 H LEU 31 H LEU 31 -3.157 2.394 -4.548 197 HA LEU 31 HA LEU 31 -2.890 -0.361 -5.503 198 1HB LEU 31 2HB LEU 31 -2.293 0.368 -2.678 199 HG LEU 31 HG LEU 31 -1.006 2.118 -3.578 200 1HD1 LEU 31 1HD1 LEU 31 0.131 0.508 -2.050 201 2HD1 LEU 31 2HD1 LEU 31 0.827 -0.260 -3.482 202 3HD1 LEU 31 3HD1 LEU 31 1.225 1.418 -3.097 203 1HD2 LEU 31 1HD2 LEU 31 -1.172 1.464 -5.964 204 2HD2 LEU 31 2HD2 LEU 31 0.456 1.947 -5.479 205 3HD2 LEU 31 3HD2 LEU 31 0.060 0.238 -5.675 206 H THR 32 H THR 32 -3.664 -2.092 -4.059 207 HA THR 32 HA THR 32 -6.399 -1.548 -3.223 208 HB THR 32 HB THR 32 -4.898 -4.178 -3.259 209 HG1 THR 32 1HG THR 32 -5.691 -2.727 -5.286 210 1HG2 THR 32 1HG2 THR 32 -7.839 -3.541 -2.998 211 2HG2 THR 32 2HG2 THR 32 -6.796 -4.275 -1.774 212 3HG2 THR 32 3HG2 THR 32 -7.179 -5.159 -3.253 213 H LEU 33 H LEU 33 -6.974 -1.265 -1.133 214 HA LEU 33 HA LEU 33 -4.943 -1.496 0.895 215 1HB LEU 33 2HB LEU 33 -7.234 0.103 0.586 216 HG LEU 33 HG LEU 33 -5.461 1.188 1.589 217 1HD1 LEU 33 1HD1 LEU 33 -6.127 1.756 3.894 218 2HD1 LEU 33 2HD1 LEU 33 -7.469 1.818 2.750 219 3HD1 LEU 33 3HD1 LEU 33 -7.306 0.448 3.847 220 1HD2 LEU 33 1HD2 LEU 33 -4.161 -0.789 2.182 221 2HD2 LEU 33 2HD2 LEU 33 -4.202 0.370 3.512 222 3HD2 LEU 33 3HD2 LEU 33 -5.215 -1.071 3.567 223 H LEU 34 H LEU 34 -4.672 -3.137 2.184 224 HA LEU 34 HA LEU 34 -6.759 -5.204 2.352 225 1HB LEU 34 2HB LEU 34 -3.764 -5.388 2.685 226 HG LEU 34 HG LEU 34 -4.455 -5.242 0.308 227 1HD1 LEU 34 1HD1 LEU 34 -2.483 -6.528 0.925 228 2HD1 LEU 34 2HD1 LEU 34 -3.482 -7.961 1.167 229 3HD1 LEU 34 3HD1 LEU 34 -3.315 -7.265 -0.444 230 1HD2 LEU 34 1HD2 LEU 34 -6.691 -6.171 0.468 231 2HD2 LEU 34 2HD2 LEU 34 -5.724 -7.089 -0.685 232 3HD2 LEU 34 3HD2 LEU 34 -6.030 -7.742 0.926 233 H ASN 35 H ASN 35 -4.555 -3.172 4.148 234 HA ASN 35 HA ASN 35 -6.110 -3.567 6.564 235 1HB ASN 35 2HB ASN 35 -4.639 -5.137 7.312 236 1HD2 ASN 35 1HD2 ASN 35 -2.024 -2.864 6.809 237 2HD2 ASN 35 2HD2 ASN 35 -1.825 -2.456 8.476 238 H SER 36 H SER 36 -6.199 -1.748 7.787 239 HA SER 36 HA SER 36 -4.145 0.305 7.399 240 1HB SER 36 2HB SER 36 -6.080 2.001 7.518 241 HG SER 36 HG SER 36 -8.058 1.277 7.312 242 H THR 37 H THR 37 -5.249 -1.729 9.527 243 HA THR 37 HA THR 37 -5.925 0.136 11.658 244 HB THR 37 HB THR 37 -7.198 -2.015 11.333 245 HG1 THR 37 1HG THR 37 -7.187 -0.843 13.335 246 1HG2 THR 37 1HG2 THR 37 -4.712 -3.250 12.527 247 2HG2 THR 37 2HG2 THR 37 -5.272 -3.484 10.871 248 3HG2 THR 37 3HG2 THR 37 -6.238 -4.077 12.223 249 H ASN 38 H ASN 38 -3.173 -1.393 10.412 250 HA ASN 38 HA ASN 38 -1.704 -1.253 12.930 251 1HB ASN 38 2HB ASN 38 -1.327 -3.134 11.284 252 1HD2 ASN 38 1HD2 ASN 38 1.339 -3.047 10.209 253 2HD2 ASN 38 2HD2 ASN 38 2.410 -2.957 11.571 254 H LYS 39 H LYS 39 -0.987 0.690 13.538 255 HA LYS 39 HA LYS 39 -1.062 2.939 11.835 256 1HB LYS 39 2HB LYS 39 -0.300 4.229 13.685 257 1HG LYS 39 2HG LYS 39 0.597 1.700 15.064 258 1HD LYS 39 2HD LYS 39 -0.322 3.645 16.435 259 1HE LYS 39 2HE LYS 39 2.309 4.852 15.581 260 1HZ LYS 39 1HZ LYS 39 1.775 6.617 17.071 261 2HZ LYS 39 2HZ LYS 39 1.701 5.169 17.949 262 3HZ LYS 39 3HZ LYS 39 0.272 5.932 17.450 263 H ASP 40 H ASP 40 1.337 0.583 12.132 264 HA ASP 40 HA ASP 40 3.464 2.401 11.261 265 1HB ASP 40 2HB ASP 40 3.527 -0.452 12.248 266 H TRP 41 H TRP 41 2.439 -0.891 10.439 267 HA TRP 41 HA TRP 41 3.185 -0.334 7.652 268 1HB TRP 41 2HB TRP 41 3.193 -2.899 9.238 269 HD1 TRP 41 HD TRP 41 5.193 -2.148 10.787 270 HE1 TRP 41 1HE TRP 41 7.691 -1.711 10.330 271 HE3 TRP 41 3HE TRP 41 5.058 -1.912 5.677 272 HZ2 TRP 41 2HZ TRP 41 9.369 -1.318 8.099 273 HZ3 TRP 41 3HZ TRP 41 7.162 -1.505 4.462 274 HH2 TRP 41 HH TRP 41 9.270 -1.214 5.652 275 H TRP 42 H TRP 42 1.515 -0.065 6.357 276 HA TRP 42 HA TRP 42 -1.015 -1.402 6.909 277 1HB TRP 42 2HB TRP 42 -0.149 0.626 4.855 278 HD1 TRP 42 HD TRP 42 -1.175 0.354 8.304 279 HE1 TRP 42 1HE TRP 42 -2.332 2.503 9.111 280 HE3 TRP 42 3HE TRP 42 -2.169 2.393 3.800 281 HZ2 TRP 42 2HZ TRP 42 -3.524 4.796 7.949 282 HZ3 TRP 42 3HZ TRP 42 -3.325 4.583 3.688 283 HH2 TRP 42 HH TRP 42 -3.983 5.754 5.729 284 H LYS 43 H LYS 43 -2.048 -2.643 5.140 285 HA LYS 43 HA LYS 43 0.004 -4.171 3.693 286 1HB LYS 43 2HB LYS 43 -1.527 -5.310 5.525 287 1HG LYS 43 2HG LYS 43 -1.206 -6.571 2.805 288 1HD LYS 43 2HD LYS 43 -1.408 -7.827 5.544 289 1HE LYS 43 2HE LYS 43 -1.669 -9.923 4.199 290 1HZ LYS 43 1HZ LYS 43 0.444 -9.496 5.214 291 2HZ LYS 43 2HZ LYS 43 0.931 -8.515 3.922 292 3HZ LYS 43 3HZ LYS 43 0.690 -10.172 3.677 293 H VAL 44 H VAL 44 -0.094 -4.093 1.558 294 HA VAL 44 HA VAL 44 -2.601 -3.244 0.296 295 HB VAL 44 HB VAL 44 -1.367 -1.720 -1.211 296 1HG1 VAL 44 1HG1 VAL 44 -1.056 -1.065 1.718 297 2HG1 VAL 44 2HG1 VAL 44 -1.012 0.098 0.393 298 3HG1 VAL 44 3HG1 VAL 44 -2.496 -0.793 0.735 299 1HG2 VAL 44 1HG2 VAL 44 0.834 -2.777 -0.999 300 2HG2 VAL 44 2HG2 VAL 44 0.903 -1.041 -0.693 301 3HG2 VAL 44 3HG2 VAL 44 0.957 -2.178 0.655 302 H GLU 45 H GLU 45 -2.427 -3.464 -2.108 303 HA GLU 45 HA GLU 45 -0.671 -5.680 -2.887 304 1HB GLU 45 2HB GLU 45 -2.891 -6.621 -2.473 305 1HG GLU 45 2HG GLU 45 -2.199 -6.377 -5.388 306 H VAL 46 H VAL 46 0.426 -5.282 -4.660 307 HA VAL 46 HA VAL 46 -0.650 -3.389 -6.635 308 HB VAL 46 HB VAL 46 2.278 -3.371 -6.403 309 1HG1 VAL 46 1HG1 VAL 46 0.154 -1.271 -6.710 310 2HG1 VAL 46 2HG1 VAL 46 1.879 -0.916 -6.658 311 3HG1 VAL 46 3HG1 VAL 46 1.221 -1.912 -7.958 312 1HG2 VAL 46 1HG2 VAL 46 0.615 -2.113 -4.232 313 2HG2 VAL 46 2HG2 VAL 46 1.804 -3.403 -4.036 314 3HG2 VAL 46 3HG2 VAL 46 2.326 -1.788 -4.517 315 H ASN 47 H ASN 47 -0.559 -4.156 -8.633 316 HA ASN 47 HA ASN 47 -0.663 -5.757 -10.186 317 1HB ASN 47 2HB ASN 47 1.506 -6.716 -10.979 318 1HD2 ASN 47 1HD2 ASN 47 2.960 -3.970 -9.554 319 2HD2 ASN 47 2HD2 ASN 47 4.198 -4.816 -8.693 320 H ASP 48 H ASP 48 1.777 -7.627 -8.427 321 HA ASP 48 HA ASP 48 -0.334 -9.500 -7.670 322 1HB ASP 48 2HB ASP 48 0.773 -10.216 -9.819 323 H ARG 49 H ARG 49 2.029 -7.577 -6.632 324 HA ARG 49 HA ARG 49 3.050 -9.407 -4.589 325 1HB ARG 49 2HB ARG 49 3.954 -6.750 -5.622 326 1HG ARG 49 2HG ARG 49 5.440 -9.245 -4.820 327 1HD ARG 49 2HD ARG 49 6.582 -6.883 -4.513 328 HE ARG 49 HE ARG 49 7.442 -7.170 -7.273 329 1HH1 ARG 49 2HH1 ARG 49 5.440 -5.380 -5.021 330 2HH1 ARG 49 1HH1 ARG 49 5.361 -3.965 -6.029 331 1HH2 ARG 49 2HH2 ARG 49 7.335 -5.377 -8.591 332 2HH2 ARG 49 1HH2 ARG 49 6.431 -3.968 -8.098 333 H GLN 50 H GLN 50 1.765 -9.643 -2.933 334 HA GLN 50 HA GLN 50 0.283 -7.324 -1.885 335 1HB GLN 50 2HB GLN 50 -0.116 -10.172 -0.980 336 1HG GLN 50 2HG GLN 50 -1.613 -8.986 -3.300 337 1HE2 GLN 50 1HE2 GLN 50 -3.601 -9.682 -2.600 338 2HE2 GLN 50 2HE2 GLN 50 -3.998 -11.357 -2.385 339 H GLY 51 H GLY 51 1.104 -6.385 -0.098 340 1HA GLY 51 1HA GLY 51 2.453 -7.884 1.941 341 2HA GLY 51 2HA GLY 51 3.578 -7.016 0.903 342 H PHE 52 H PHE 52 4.239 -5.773 2.720 343 HA PHE 52 HA PHE 52 2.202 -3.920 3.744 344 1HB PHE 52 2HB PHE 52 4.753 -4.967 4.943 345 HD1 PHE 52 1HD PHE 52 1.691 -3.703 6.543 346 HD2 PHE 52 2HD PHE 52 3.928 -7.141 5.416 347 HE1 PHE 52 1HE PHE 52 0.225 -5.105 7.931 348 HE2 PHE 52 2HE PHE 52 2.461 -8.550 6.800 349 HZ PHE 52 HZ PHE 52 0.609 -7.531 8.062 350 H VAL 53 H VAL 53 2.632 -1.764 4.003 351 HA VAL 53 HA VAL 53 5.138 -0.632 2.971 352 HB VAL 53 HB VAL 53 3.913 1.211 1.860 353 1HG1 VAL 53 1HG1 VAL 53 4.734 -0.600 0.501 354 2HG1 VAL 53 2HG1 VAL 53 3.262 -1.527 0.811 355 3HG1 VAL 53 3HG1 VAL 53 3.183 -0.034 -0.126 356 1HG2 VAL 53 1HG2 VAL 53 1.526 0.935 1.322 357 2HG2 VAL 53 2HG2 VAL 53 1.468 -0.478 2.377 358 3HG2 VAL 53 3HG2 VAL 53 1.813 1.114 3.053 359 HA PRO 54 HA PRO 54 4.751 2.014 6.558 360 1HB PRO 54 2HB PRO 54 5.672 4.379 5.502 361 1HG PRO 54 2HG PRO 54 5.926 3.744 3.294 362 1HD PRO 54 2HD PRO 54 5.780 1.540 2.637 363 H ALA 55 H ALA 55 3.013 3.014 7.350 364 HA ALA 55 HA ALA 55 0.763 3.593 5.794 365 1HB ALA 55 1HB ALA 55 -0.194 4.521 7.835 366 2HB ALA 55 2HB ALA 55 0.673 3.022 8.173 367 3HB ALA 55 3HB ALA 55 1.408 4.577 8.573 368 H ALA 56 H ALA 56 3.422 5.615 6.796 369 HA ALA 56 HA ALA 56 2.112 8.103 6.226 370 1HB ALA 56 1HB ALA 56 3.844 7.965 7.916 371 2HB ALA 56 2HB ALA 56 5.018 7.469 6.695 372 3HB ALA 56 3HB ALA 56 4.317 9.088 6.641 373 H TYR 57 H TYR 57 3.085 5.794 4.130 374 HA TYR 57 HA TYR 57 4.206 7.707 2.194 375 1HB TYR 57 2HB TYR 57 4.532 4.749 2.515 376 HD1 TYR 57 1HD TYR 57 7.012 5.237 0.512 377 HD2 TYR 57 2HD TYR 57 5.694 6.929 4.182 378 HE1 TYR 57 1HE TYR 57 9.324 5.843 1.054 379 HE2 TYR 57 2HE TYR 57 8.007 7.540 4.737 380 HH TYR 57 HH TYR 57 10.545 7.401 2.438 381 H VAL 58 H VAL 58 1.527 5.601 2.782 382 HA VAL 58 HA VAL 58 0.444 6.336 0.148 383 HB VAL 58 HB VAL 58 -1.084 4.409 0.368 384 1HG1 VAL 58 1HG1 VAL 58 1.031 4.176 -0.840 385 2HG1 VAL 58 2HG1 VAL 58 1.837 3.714 0.663 386 3HG1 VAL 58 3HG1 VAL 58 0.594 2.670 -0.030 387 1HG2 VAL 58 1HG2 VAL 58 -1.147 4.257 2.802 388 2HG2 VAL 58 2HG2 VAL 58 -0.662 2.718 2.089 389 3HG2 VAL 58 3HG2 VAL 58 0.548 3.769 2.824 390 H LYS 59 H LYS 59 -1.738 7.019 0.034 391 HA LYS 59 HA LYS 59 -2.728 8.097 2.591 392 1HB LYS 59 2HB LYS 59 -1.813 9.840 1.105 393 1HG LYS 59 2HG LYS 59 -4.815 10.039 1.186 394 1HD LYS 59 2HD LYS 59 -2.741 12.224 1.289 395 1HE LYS 59 2HE LYS 59 -5.718 12.291 0.790 396 1HZ LYS 59 1HZ LYS 59 -5.477 14.655 0.824 397 2HZ LYS 59 2HZ LYS 59 -4.462 14.027 -0.380 398 3HZ LYS 59 3HZ LYS 59 -3.810 14.540 1.102 399 H LYS 60 H LYS 60 -4.943 8.153 2.937 400 HA LYS 60 HA LYS 60 -6.402 5.982 1.808 401 1HB LYS 60 2HB LYS 60 -7.380 8.289 3.510 402 1HG LYS 60 2HG LYS 60 -5.608 6.759 4.547 403 1HD LYS 60 2HD LYS 60 -6.586 4.628 3.704 404 1HE LYS 60 2HE LYS 60 -8.461 4.199 5.803 405 1HZ LYS 60 1HZ LYS 60 -8.965 4.364 2.889 406 2HZ LYS 60 2HZ LYS 60 -9.897 3.545 4.045 407 3HZ LYS 60 3HZ LYS 60 -8.336 3.005 3.677 408 H LEU 61 H LEU 61 -7.285 6.031 -0.178 409 HA LEU 61 HA LEU 61 -8.428 8.514 -1.205 410 1HB LEU 61 2HB LEU 61 -8.172 5.742 -2.372 411 HG LEU 61 HG LEU 61 -6.065 7.150 -2.446 412 1HD1 LEU 61 1HD1 LEU 61 -5.669 6.697 -4.817 413 2HD1 LEU 61 2HD1 LEU 61 -6.486 5.350 -4.025 414 3HD1 LEU 61 3HD1 LEU 61 -7.398 6.448 -5.060 415 1HD2 LEU 61 1HD2 LEU 61 -6.074 8.952 -4.177 416 2HD2 LEU 61 2HD2 LEU 61 -7.836 8.884 -4.172 417 3HD2 LEU 61 3HD2 LEU 61 -6.964 9.353 -2.712 418 H ASP 62 H ASP 62 -9.399 7.198 1.163 419 HA ASP 62 HA ASP 62 -12.166 6.625 0.388 420 1HB ASP 62 2HB ASP 62 -11.080 4.492 0.910 Start of MODEL 20 1 1H MET 1 1H MET 1 -14.125 -4.333 -1.427 2 2H MET 1 2H MET 1 -13.396 -5.610 -2.278 3 3H MET 1 3H MET 1 -13.694 -5.757 -0.612 4 HA MET 1 HA MET 1 -16.059 -5.653 -0.975 5 1HB MET 1 2HB MET 1 -16.976 -5.761 -3.231 6 1HG MET 1 2HG MET 1 -14.168 -5.351 -4.236 7 1HE MET 1 1HE MET 1 -14.705 -6.830 -7.019 8 2HE MET 1 2HE MET 1 -15.039 -5.443 -8.058 9 3HE MET 1 3HE MET 1 -13.745 -5.357 -6.859 10 H ASP 2 H ASP 2 -13.430 -7.386 -2.419 11 HA ASP 2 HA ASP 2 -14.565 -9.923 -1.597 12 1HB ASP 2 2HB ASP 2 -15.619 -9.657 -3.813 13 H GLU 3 H GLU 3 -12.129 -7.863 -1.943 14 HA GLU 3 HA GLU 3 -10.028 -9.843 -2.499 15 1HB GLU 3 2HB GLU 3 -9.597 -6.868 -2.207 16 1HG GLU 3 2HG GLU 3 -9.546 -6.902 -4.784 17 H THR 4 H THR 4 -11.452 -9.695 0.112 18 HA THR 4 HA THR 4 -10.992 -9.632 2.413 19 HB THR 4 HB THR 4 -8.151 -8.867 1.674 20 HG1 THR 4 1HG THR 4 -7.825 -10.898 1.189 21 1HG2 THR 4 1HG2 THR 4 -8.741 -8.481 4.026 22 2HG2 THR 4 2HG2 THR 4 -7.599 -9.815 3.867 23 3HG2 THR 4 3HG2 THR 4 -9.306 -10.148 4.161 24 H GLY 5 H GLY 5 -10.272 -7.066 0.263 25 1HA GLY 5 1HA GLY 5 -11.668 -5.130 1.630 26 2HA GLY 5 2HA GLY 5 -9.988 -4.955 2.133 27 H LYS 6 H LYS 6 -11.288 -2.941 0.731 28 HA LYS 6 HA LYS 6 -9.588 -2.926 -1.630 29 1HB LYS 6 2HB LYS 6 -11.804 -3.435 -2.475 30 1HG LYS 6 2HG LYS 6 -12.074 -1.789 -4.089 31 1HD LYS 6 2HD LYS 6 -9.770 -1.085 -4.729 32 1HE LYS 6 2HE LYS 6 -8.877 -3.443 -4.869 33 1HZ LYS 6 1HZ LYS 6 -10.262 -2.585 -6.616 34 2HZ LYS 6 2HZ LYS 6 -11.670 -2.969 -5.759 35 3HZ LYS 6 3HZ LYS 6 -10.659 -4.209 -6.328 36 H GLU 7 H GLU 7 -11.866 -0.462 -0.913 37 HA GLU 7 HA GLU 7 -11.771 1.566 0.091 38 1HB GLU 7 2HB GLU 7 -9.464 0.214 1.415 39 1HG GLU 7 2HG GLU 7 -10.631 0.747 3.441 40 H LEU 8 H LEU 8 -8.836 0.486 -1.460 41 HA LEU 8 HA LEU 8 -7.408 1.407 -2.927 42 1HB LEU 8 2HB LEU 8 -9.488 3.579 -3.119 43 HG LEU 8 HG LEU 8 -10.225 1.394 -4.054 44 1HD1 LEU 8 1HD1 LEU 8 -10.850 2.274 -6.250 45 2HD1 LEU 8 2HD1 LEU 8 -11.047 3.486 -4.984 46 3HD1 LEU 8 3HD1 LEU 8 -9.660 3.563 -6.071 47 1HD2 LEU 8 1HD2 LEU 8 -7.810 1.756 -5.828 48 2HD2 LEU 8 2HD2 LEU 8 -8.103 0.433 -4.697 49 3HD2 LEU 8 3HD2 LEU 8 -9.116 0.612 -6.129 50 H VAL 9 H VAL 9 -5.519 2.217 -2.462 51 HA VAL 9 HA VAL 9 -5.407 4.700 -0.888 52 HB VAL 9 HB VAL 9 -3.049 3.879 -0.202 53 1HG1 VAL 9 1HG1 VAL 9 -3.953 2.727 1.774 54 2HG1 VAL 9 2HG1 VAL 9 -4.831 4.208 1.400 55 3HG1 VAL 9 3HG1 VAL 9 -5.529 2.643 0.986 56 1HG2 VAL 9 1HG2 VAL 9 -4.356 1.248 -0.884 57 2HG2 VAL 9 2HG2 VAL 9 -2.922 1.942 -1.641 58 3HG2 VAL 9 3HG2 VAL 9 -2.868 1.435 0.049 59 H LEU 10 H LEU 10 -3.974 6.220 -1.516 60 HA LEU 10 HA LEU 10 -2.975 5.879 -4.243 61 1HB LEU 10 2HB LEU 10 -4.337 7.715 -4.282 62 HG LEU 10 HG LEU 10 -1.672 8.861 -3.550 63 1HD1 LEU 10 1HD1 LEU 10 -1.588 9.378 -5.941 64 2HD1 LEU 10 2HD1 LEU 10 -1.768 7.648 -5.644 65 3HD1 LEU 10 3HD1 LEU 10 -3.158 8.604 -6.153 66 1HD2 LEU 10 1HD2 LEU 10 -3.367 10.481 -2.911 67 2HD2 LEU 10 2HD2 LEU 10 -2.504 11.018 -4.351 68 3HD2 LEU 10 3HD2 LEU 10 -4.124 10.334 -4.499 69 H ALA 11 H ALA 11 -0.890 5.500 -4.491 70 HA ALA 11 HA ALA 11 1.002 5.760 -2.387 71 1HB ALA 11 1HB ALA 11 1.473 5.336 -5.341 72 2HB ALA 11 2HB ALA 11 2.642 5.061 -4.048 73 3HB ALA 11 3HB ALA 11 1.191 4.060 -4.157 74 H LEU 12 H LEU 12 1.747 7.659 -1.681 75 HA LEU 12 HA LEU 12 1.654 10.018 -3.362 76 1HB LEU 12 2HB LEU 12 2.822 9.765 -0.587 77 HG LEU 12 HG LEU 12 0.410 9.043 -0.588 78 1HD1 LEU 12 1HD1 LEU 12 -0.224 10.531 1.251 79 2HD1 LEU 12 2HD1 LEU 12 1.458 10.015 1.380 80 3HD1 LEU 12 3HD1 LEU 12 1.072 11.636 0.799 81 1HD2 LEU 12 1HD2 LEU 12 -0.046 11.889 -1.485 82 2HD2 LEU 12 2HD2 LEU 12 -0.367 10.442 -2.438 83 3HD2 LEU 12 3HD2 LEU 12 -1.293 10.755 -0.971 84 H TYR 13 H TYR 13 4.064 7.941 -1.890 85 HA TYR 13 HA TYR 13 6.146 9.358 -3.410 86 1HB TYR 13 2HB TYR 13 6.718 7.885 -0.847 87 HD1 TYR 13 1HD TYR 13 6.093 8.618 1.286 88 HD2 TYR 13 2HD TYR 13 5.807 11.319 -1.981 89 HE1 TYR 13 1HE TYR 13 5.046 10.276 2.761 90 HE2 TYR 13 2HE TYR 13 4.767 12.996 -0.518 91 HH TYR 13 HH TYR 13 3.519 13.101 1.588 92 H ASP 14 H ASP 14 7.951 7.944 -4.086 93 HA ASP 14 HA ASP 14 6.902 5.352 -4.839 94 1HB ASP 14 2HB ASP 14 8.952 5.172 -6.233 95 H TYR 15 H TYR 15 7.701 3.401 -4.192 96 HA TYR 15 HA TYR 15 9.564 3.520 -1.920 97 1HB TYR 15 2HB TYR 15 7.136 3.495 -1.218 98 HD1 TYR 15 1HD TYR 15 9.116 3.749 0.537 99 HD2 TYR 15 2HD TYR 15 7.329 0.069 -0.612 100 HE1 TYR 15 1HE TYR 15 9.903 2.724 2.629 101 HE2 TYR 15 2HE TYR 15 8.117 -0.976 1.453 102 HH TYR 15 HH TYR 15 9.861 -0.664 3.126 103 H GLN 16 H GLN 16 10.868 1.768 -1.617 104 HA GLN 16 HA GLN 16 10.554 -0.466 -3.493 105 1HB GLN 16 2HB GLN 16 12.906 1.226 -2.974 106 1HG GLN 16 2HG GLN 16 11.740 0.923 -5.193 107 1HE2 GLN 16 1HE2 GLN 16 11.450 -1.758 -3.857 108 2HE2 GLN 16 2HE2 GLN 16 11.633 -2.900 -5.144 109 H GLU 17 H GLU 17 10.130 -2.252 -2.523 110 HA GLU 17 HA GLU 17 10.282 -2.730 0.226 111 1HB GLU 17 2HB GLU 17 9.671 -5.000 -0.313 112 1HG GLU 17 2HG GLU 17 10.609 -4.374 -3.094 113 H LYS 18 H LYS 18 11.913 -3.360 1.523 114 HA LYS 18 HA LYS 18 14.404 -4.270 0.291 115 1HB LYS 18 2HB LYS 18 15.436 -3.873 2.445 116 1HG LYS 18 2HG LYS 18 12.685 -3.216 3.444 117 1HD LYS 18 2HD LYS 18 15.341 -3.186 4.873 118 1HE LYS 18 2HE LYS 18 13.566 -3.830 6.359 119 1HZ LYS 18 1HZ LYS 18 11.611 -3.160 5.278 120 2HZ LYS 18 2HZ LYS 18 12.110 -1.543 5.176 121 3HZ LYS 18 3HZ LYS 18 11.686 -2.202 6.682 122 H SER 19 H SER 19 11.716 -5.464 2.109 123 HA SER 19 HA SER 19 13.014 -8.104 2.267 124 1HB SER 19 2HB SER 19 11.699 -8.546 4.286 125 HG SER 19 HG SER 19 10.785 -5.876 4.309 126 HA PRO 20 HA PRO 20 9.756 -9.552 -0.375 127 1HB PRO 20 2HB PRO 20 9.283 -12.050 0.653 128 1HG PRO 20 2HG PRO 20 10.561 -11.882 2.581 129 1HD PRO 20 2HD PRO 20 12.149 -10.217 2.866 130 H ALA 21 H ALA 21 9.234 -8.968 2.904 131 HA ALA 21 HA ALA 21 6.413 -9.674 2.842 132 1HB ALA 21 1HB ALA 21 8.041 -8.344 5.003 133 2HB ALA 21 2HB ALA 21 6.375 -8.898 5.158 134 3HB ALA 21 3HB ALA 21 7.671 -10.065 4.900 135 H GLU 22 H GLU 22 8.398 -7.125 1.981 136 HA GLU 22 HA GLU 22 6.350 -5.064 2.307 137 1HB GLU 22 2HB GLU 22 9.239 -5.013 1.424 138 1HG GLU 22 2HG GLU 22 8.073 -3.337 3.586 139 H VAL 23 H VAL 23 6.183 -3.570 0.289 140 HA VAL 23 HA VAL 23 6.295 -5.186 -2.158 141 HB VAL 23 HB VAL 23 4.091 -5.127 -2.489 142 1HG1 VAL 23 1HG1 VAL 23 2.565 -4.359 -0.740 143 2HG1 VAL 23 2HG1 VAL 23 3.892 -5.326 -0.098 144 3HG1 VAL 23 3HG1 VAL 23 3.913 -3.571 0.078 145 1HG2 VAL 23 1HG2 VAL 23 2.833 -2.978 -2.643 146 2HG2 VAL 23 2HG2 VAL 23 4.296 -2.144 -2.127 147 3HG2 VAL 23 3HG2 VAL 23 4.285 -3.049 -3.641 148 H THR 24 H THR 24 6.841 -4.170 -3.988 149 HA THR 24 HA THR 24 7.955 -1.504 -3.829 150 HB THR 24 HB THR 24 7.746 -3.357 -6.214 151 HG1 THR 24 1HG THR 24 8.992 -4.209 -4.419 152 1HG2 THR 24 1HG2 THR 24 9.557 -1.992 -7.142 153 2HG2 THR 24 2HG2 THR 24 9.505 -0.952 -5.717 154 3HG2 THR 24 3HG2 THR 24 8.125 -1.013 -6.814 155 H MET 25 H MET 25 6.889 0.293 -4.403 156 HA MET 25 HA MET 25 4.620 0.087 -6.246 157 1HB MET 25 2HB MET 25 3.173 1.375 -4.829 158 1HG MET 25 2HG MET 25 5.413 1.497 -2.824 159 1HE MET 25 1HE MET 25 3.566 3.840 -0.267 160 2HE MET 25 2HE MET 25 5.116 3.169 -0.770 161 3HE MET 25 3HE MET 25 4.329 4.404 -1.753 162 H LYS 26 H LYS 26 4.279 1.886 -7.495 163 HA LYS 26 HA LYS 26 6.246 4.046 -7.190 164 1HB LYS 26 2HB LYS 26 4.946 2.800 -9.559 165 1HG LYS 26 2HG LYS 26 7.381 2.483 -8.971 166 1HD LYS 26 2HD LYS 26 7.477 5.359 -9.883 167 1HE LYS 26 2HE LYS 26 9.271 3.970 -10.878 168 1HZ LYS 26 1HZ LYS 26 9.847 3.385 -8.038 169 2HZ LYS 26 2HZ LYS 26 11.057 3.331 -9.223 170 3HZ LYS 26 3HZ LYS 26 9.716 2.298 -9.336 171 H LYS 27 H LYS 27 5.604 6.096 -6.896 172 HA LYS 27 HA LYS 27 3.023 6.571 -5.912 173 1HB LYS 27 2HB LYS 27 3.652 8.778 -5.512 174 1HG LYS 27 2HG LYS 27 4.357 9.237 -7.925 175 1HD LYS 27 2HD LYS 27 6.884 8.169 -6.750 176 1HE LYS 27 2HE LYS 27 6.822 10.105 -9.041 177 1HZ LYS 27 1HZ LYS 27 9.056 9.018 -7.405 178 2HZ LYS 27 2HZ LYS 27 9.205 10.132 -8.677 179 3HZ LYS 27 3HZ LYS 27 8.678 8.554 -8.993 180 H GLY 28 H GLY 28 1.332 7.789 -6.690 181 1HA GLY 28 1HA GLY 28 0.083 8.824 -8.424 182 2HA GLY 28 2HA GLY 28 1.266 8.242 -9.588 183 H ASP 29 H ASP 29 1.072 5.563 -8.050 184 HA ASP 29 HA ASP 29 -1.080 4.496 -9.673 185 1HB ASP 29 2HB ASP 29 1.100 3.286 -8.014 186 H ILE 30 H ILE 30 -2.717 3.089 -8.814 187 HA ILE 30 HA ILE 30 -3.652 3.999 -6.170 188 HB ILE 30 HB ILE 30 -5.334 2.887 -8.424 189 1HG1 ILE 30 2HG1 ILE 30 -4.401 5.010 -9.143 190 1HG2 ILE 30 1HG2 ILE 30 -6.102 4.293 -5.869 191 2HG2 ILE 30 2HG2 ILE 30 -7.217 3.768 -7.130 192 3HG2 ILE 30 3HG2 ILE 30 -6.298 2.575 -6.214 193 1HD1 ILE 30 1HD1 ILE 30 -4.787 7.088 -7.965 194 2HD1 ILE 30 2HD1 ILE 30 -5.505 6.205 -6.618 195 3HD1 ILE 30 3HD1 ILE 30 -3.796 5.993 -7.000 196 H LEU 31 H LEU 31 -3.278 2.467 -4.669 197 HA LEU 31 HA LEU 31 -3.075 -0.318 -5.562 198 1HB LEU 31 2HB LEU 31 -2.473 0.421 -2.756 199 HG LEU 31 HG LEU 31 -1.209 2.214 -3.678 200 1HD1 LEU 31 1HD1 LEU 31 -0.123 0.729 -2.036 201 2HD1 LEU 31 2HD1 LEU 31 0.597 -0.172 -3.371 202 3HD1 LEU 31 3HD1 LEU 31 1.029 1.521 -3.114 203 1HD2 LEU 31 1HD2 LEU 31 -1.258 1.522 -6.044 204 2HD2 LEU 31 2HD2 LEU 31 0.367 1.959 -5.504 205 3HD2 LEU 31 3HD2 LEU 31 -0.079 0.262 -5.682 206 H THR 32 H THR 32 -3.955 -1.998 -4.089 207 HA THR 32 HA THR 32 -6.580 -1.213 -3.071 208 HB THR 32 HB THR 32 -5.364 -3.956 -3.461 209 HG1 THR 32 1HG THR 32 -5.877 -2.733 -5.405 210 1HG2 THR 32 1HG2 THR 32 -7.051 -3.914 -1.675 211 2HG2 THR 32 2HG2 THR 32 -7.615 -4.809 -3.088 212 3HG2 THR 32 3HG2 THR 32 -8.211 -3.171 -2.793 213 H LEU 33 H LEU 33 -7.067 -1.173 -0.937 214 HA LEU 33 HA LEU 33 -4.884 -1.522 0.930 215 1HB LEU 33 2HB LEU 33 -7.085 0.199 0.799 216 HG LEU 33 HG LEU 33 -5.209 1.114 1.799 217 1HD1 LEU 33 1HD1 LEU 33 -7.127 0.486 4.030 218 2HD1 LEU 33 2HD1 LEU 33 -5.897 1.749 4.055 219 3HD1 LEU 33 3HD1 LEU 33 -7.229 1.838 2.901 220 1HD2 LEU 33 1HD2 LEU 33 -4.061 -0.933 2.396 221 2HD2 LEU 33 2HD2 LEU 33 -4.079 0.185 3.760 222 3HD2 LEU 33 3HD2 LEU 33 -5.179 -1.193 3.735 223 H LEU 34 H LEU 34 -4.689 -3.114 2.338 224 HA LEU 34 HA LEU 34 -6.812 -5.151 2.446 225 1HB LEU 34 2HB LEU 34 -3.816 -5.398 2.615 226 HG LEU 34 HG LEU 34 -4.687 -5.108 0.300 227 1HD1 LEU 34 1HD1 LEU 34 -3.512 -6.998 -0.634 228 2HD1 LEU 34 2HD1 LEU 34 -2.651 -6.390 0.779 229 3HD1 LEU 34 3HD1 LEU 34 -3.618 -7.858 0.901 230 1HD2 LEU 34 1HD2 LEU 34 -6.157 -7.669 0.897 231 2HD2 LEU 34 2HD2 LEU 34 -6.878 -6.099 0.545 232 3HD2 LEU 34 3HD2 LEU 34 -5.965 -6.948 -0.702 233 H ASN 35 H ASN 35 -4.573 -3.179 4.218 234 HA ASN 35 HA ASN 35 -5.975 -3.697 6.695 235 1HB ASN 35 2HB ASN 35 -4.491 -5.338 7.250 236 1HD2 ASN 35 1HD2 ASN 35 -1.924 -2.979 6.849 237 2HD2 ASN 35 2HD2 ASN 35 -1.640 -2.748 8.536 238 H SER 36 H SER 36 -6.053 -1.901 7.916 239 HA SER 36 HA SER 36 -4.028 0.182 7.437 240 1HB SER 36 2HB SER 36 -5.928 1.852 7.742 241 HG SER 36 HG SER 36 -7.598 -0.235 6.842 242 H THR 37 H THR 37 -5.487 -1.826 9.619 243 HA THR 37 HA THR 37 -5.819 -0.037 11.801 244 HB THR 37 HB THR 37 -7.057 -2.161 11.686 245 HG1 THR 37 1HG THR 37 -6.473 -1.049 13.731 246 1HG2 THR 37 1HG2 THR 37 -4.401 -3.460 12.314 247 2HG2 THR 37 2HG2 THR 37 -5.263 -3.589 10.783 248 3HG2 THR 37 3HG2 THR 37 -5.965 -4.273 12.251 249 H ASN 38 H ASN 38 -3.110 -1.874 10.576 250 HA ASN 38 HA ASN 38 -1.494 -1.420 12.931 251 1HB ASN 38 2HB ASN 38 -1.144 -3.362 11.326 252 1HD2 ASN 38 1HD2 ASN 38 1.471 -3.261 10.183 253 2HD2 ASN 38 2HD2 ASN 38 2.585 -3.096 11.504 254 H LYS 39 H LYS 39 -0.957 0.636 13.397 255 HA LYS 39 HA LYS 39 -1.076 2.707 11.483 256 1HB LYS 39 2HB LYS 39 -0.399 4.198 13.206 257 1HG LYS 39 2HG LYS 39 0.439 1.891 14.945 258 1HD LYS 39 2HD LYS 39 0.765 4.870 15.224 259 1HE LYS 39 2HE LYS 39 1.286 2.647 17.190 260 1HZ LYS 39 1HZ LYS 39 2.187 4.397 18.555 261 2HZ LYS 39 2HZ LYS 39 0.581 4.773 18.163 262 3HZ LYS 39 3HZ LYS 39 1.855 5.558 17.364 263 H ASP 40 H ASP 40 1.421 0.500 12.070 264 HA ASP 40 HA ASP 40 3.493 2.328 11.109 265 1HB ASP 40 2HB ASP 40 3.590 -0.496 12.167 266 H TRP 41 H TRP 41 2.560 -1.004 10.351 267 HA TRP 41 HA TRP 41 3.317 -0.478 7.565 268 1HB TRP 41 2HB TRP 41 3.345 -3.017 9.196 269 HD1 TRP 41 HD TRP 41 5.351 -2.300 10.727 270 HE1 TRP 41 1HE TRP 41 7.833 -1.808 10.269 271 HE3 TRP 41 3HE TRP 41 5.175 -1.930 5.634 272 HZ2 TRP 41 2HZ TRP 41 9.493 -1.317 8.041 273 HZ3 TRP 41 3HZ TRP 41 7.256 -1.447 4.415 274 HH2 TRP 41 HH TRP 41 9.371 -1.147 5.596 275 H TRP 42 H TRP 42 1.610 -0.152 6.334 276 HA TRP 42 HA TRP 42 -0.910 -1.491 6.870 277 1HB TRP 42 2HB TRP 42 -0.004 0.571 4.881 278 HD1 TRP 42 HD TRP 42 -0.998 0.290 8.283 279 HE1 TRP 42 1HE TRP 42 -2.333 2.345 9.085 280 HE3 TRP 42 3HE TRP 42 -2.206 2.210 3.771 281 HZ2 TRP 42 2HZ TRP 42 -3.725 4.518 7.914 282 HZ3 TRP 42 3HZ TRP 42 -3.543 4.288 3.653 283 HH2 TRP 42 HH TRP 42 -4.280 5.415 5.692 284 H LYS 43 H LYS 43 -1.981 -2.711 5.140 285 HA LYS 43 HA LYS 43 -0.005 -4.255 3.590 286 1HB LYS 43 2HB LYS 43 -1.485 -5.432 5.410 287 1HG LYS 43 2HG LYS 43 -1.459 -6.564 2.625 288 1HD LYS 43 2HD LYS 43 -1.478 -7.891 5.337 289 1HE LYS 43 2HE LYS 43 -1.741 -9.979 4.069 290 1HZ LYS 43 1HZ LYS 43 0.495 -9.355 4.709 291 2HZ LYS 43 2HZ LYS 43 0.692 -8.475 3.279 292 3HZ LYS 43 3HZ LYS 43 0.512 -10.153 3.218 293 H VAL 44 H VAL 44 -0.085 -3.938 1.494 294 HA VAL 44 HA VAL 44 -2.636 -3.117 0.292 295 HB VAL 44 HB VAL 44 -1.452 -1.538 -1.183 296 1HG1 VAL 44 1HG1 VAL 44 -2.539 -0.692 0.825 297 2HG1 VAL 44 2HG1 VAL 44 -1.065 -0.970 1.754 298 3HG1 VAL 44 3HG1 VAL 44 -1.081 0.235 0.465 299 1HG2 VAL 44 1HG2 VAL 44 0.836 -0.839 -0.664 300 2HG2 VAL 44 2HG2 VAL 44 0.931 -2.076 0.590 301 3HG2 VAL 44 3HG2 VAL 44 0.769 -2.547 -1.103 302 H GLU 45 H GLU 45 -2.895 -3.676 -1.889 303 HA GLU 45 HA GLU 45 -0.982 -5.696 -2.833 304 1HB GLU 45 2HB GLU 45 -3.298 -6.529 -2.426 305 1HG GLU 45 2HG GLU 45 -2.554 -6.489 -5.344 306 H VAL 46 H VAL 46 0.208 -5.182 -4.445 307 HA VAL 46 HA VAL 46 -0.758 -3.250 -6.442 308 HB VAL 46 HB VAL 46 2.153 -3.359 -5.862 309 1HG1 VAL 46 1HG1 VAL 46 0.224 -1.248 -6.751 310 2HG1 VAL 46 2HG1 VAL 46 1.879 -0.869 -6.269 311 3HG1 VAL 46 3HG1 VAL 46 1.584 -1.940 -7.637 312 1HG2 VAL 46 1HG2 VAL 46 1.294 -3.205 -3.624 313 2HG2 VAL 46 2HG2 VAL 46 1.975 -1.651 -4.102 314 3HG2 VAL 46 3HG2 VAL 46 0.227 -1.884 -4.093 315 H ASN 47 H ASN 47 -0.378 -3.904 -8.511 316 HA ASN 47 HA ASN 47 -0.184 -5.353 -10.190 317 1HB ASN 47 2HB ASN 47 1.987 -6.495 -10.564 318 1HD2 ASN 47 1HD2 ASN 47 3.356 -4.144 -8.495 319 2HD2 ASN 47 2HD2 ASN 47 4.246 -5.237 -7.493 320 H ASP 48 H ASP 48 1.505 -7.578 -8.005 321 HA ASP 48 HA ASP 48 -0.988 -9.008 -7.559 322 1HB ASP 48 2HB ASP 48 -0.219 -11.119 -8.300 323 H ARG 49 H ARG 49 1.828 -7.705 -6.491 324 HA ARG 49 HA ARG 49 2.301 -9.624 -4.355 325 1HB ARG 49 2HB ARG 49 4.203 -8.669 -5.659 326 1HG ARG 49 2HG ARG 49 4.652 -7.511 -2.976 327 1HD ARG 49 2HD ARG 49 6.668 -8.969 -3.133 328 HE ARG 49 HE ARG 49 7.167 -6.819 -3.981 329 1HH1 ARG 49 2HH1 ARG 49 5.863 -8.902 -6.512 330 2HH1 ARG 49 1HH1 ARG 49 6.577 -7.969 -7.790 331 1HH2 ARG 49 2HH2 ARG 49 8.090 -5.641 -5.648 332 2HH2 ARG 49 1HH2 ARG 49 7.845 -6.114 -7.310 333 H GLN 50 H GLN 50 1.191 -9.420 -2.569 334 HA GLN 50 HA GLN 50 0.386 -6.728 -1.735 335 1HB GLN 50 2HB GLN 50 -1.597 -7.820 -0.619 336 1HG GLN 50 2HG GLN 50 -1.551 -10.058 -2.510 337 1HE2 GLN 50 1HE2 GLN 50 -3.774 -10.073 -2.288 338 2HE2 GLN 50 2HE2 GLN 50 -4.553 -10.464 -0.790 339 H GLY 51 H GLY 51 1.697 -6.140 -0.254 340 1HA GLY 51 1HA GLY 51 2.204 -7.916 2.034 341 2HA GLY 51 2HA GLY 51 3.565 -7.179 1.194 342 H PHE 52 H PHE 52 4.311 -5.784 2.725 343 HA PHE 52 HA PHE 52 2.333 -3.932 3.857 344 1HB PHE 52 2HB PHE 52 4.935 -4.954 4.974 345 HD1 PHE 52 1HD PHE 52 1.557 -4.002 6.229 346 HD2 PHE 52 2HD PHE 52 4.493 -7.052 5.802 347 HE1 PHE 52 1HE PHE 52 0.176 -5.507 7.587 348 HE2 PHE 52 2HE PHE 52 3.113 -8.570 7.159 349 HZ PHE 52 HZ PHE 52 0.953 -7.795 8.056 350 H VAL 53 H VAL 53 2.678 -1.795 3.930 351 HA VAL 53 HA VAL 53 5.190 -0.668 2.904 352 HB VAL 53 HB VAL 53 3.943 1.112 1.707 353 1HG1 VAL 53 1HG1 VAL 53 4.809 -0.787 0.451 354 2HG1 VAL 53 2HG1 VAL 53 3.306 -1.666 0.727 355 3HG1 VAL 53 3HG1 VAL 53 3.303 -0.197 -0.249 356 1HG2 VAL 53 1HG2 VAL 53 1.841 1.009 2.911 357 2HG2 VAL 53 2HG2 VAL 53 1.568 0.799 1.183 358 3HG2 VAL 53 3HG2 VAL 53 1.523 -0.597 2.258 359 HA PRO 54 HA PRO 54 4.781 2.082 6.387 360 1HB PRO 54 2HB PRO 54 5.628 4.447 5.303 361 1HG PRO 54 2HG PRO 54 5.737 3.818 3.075 362 1HD PRO 54 2HD PRO 54 5.662 1.603 2.426 363 H ALA 55 H ALA 55 3.025 2.995 7.209 364 HA ALA 55 HA ALA 55 0.767 3.645 5.639 365 1HB ALA 55 1HB ALA 55 0.633 2.811 7.944 366 2HB ALA 55 2HB ALA 55 1.323 4.328 8.527 367 3HB ALA 55 3HB ALA 55 -0.255 4.321 7.738 368 H ALA 56 H ALA 56 3.516 5.488 6.448 369 HA ALA 56 HA ALA 56 2.149 8.050 6.272 370 1HB ALA 56 1HB ALA 56 4.330 9.017 6.772 371 2HB ALA 56 2HB ALA 56 3.908 7.762 7.938 372 3HB ALA 56 3HB ALA 56 5.070 7.420 6.655 373 H TYR 57 H TYR 57 3.057 5.887 4.034 374 HA TYR 57 HA TYR 57 4.120 7.907 2.171 375 1HB TYR 57 2HB TYR 57 4.504 4.941 2.344 376 HD1 TYR 57 1HD TYR 57 6.947 5.442 0.391 377 HD2 TYR 57 2HD TYR 57 5.680 7.144 4.072 378 HE1 TYR 57 1HE TYR 57 9.278 6.021 0.918 379 HE2 TYR 57 2HE TYR 57 8.002 7.726 4.610 380 HH TYR 57 HH TYR 57 10.499 7.656 2.332 381 H VAL 58 H VAL 58 1.446 5.873 2.805 382 HA VAL 58 HA VAL 58 0.360 6.463 0.136 383 HB VAL 58 HB VAL 58 -1.120 4.525 0.404 384 1HG1 VAL 58 1HG1 VAL 58 0.999 4.195 -0.726 385 2HG1 VAL 58 2HG1 VAL 58 1.802 3.900 0.819 386 3HG1 VAL 58 3HG1 VAL 58 0.595 2.760 0.218 387 1HG2 VAL 58 1HG2 VAL 58 -0.767 2.928 2.228 388 2HG2 VAL 58 2HG2 VAL 58 0.400 4.031 2.963 389 3HG2 VAL 58 3HG2 VAL 58 -1.296 4.498 2.835 390 H LYS 59 H LYS 59 -1.908 6.983 0.040 391 HA LYS 59 HA LYS 59 -2.904 8.179 2.548 392 1HB LYS 59 2HB LYS 59 -2.043 9.876 0.969 393 1HG LYS 59 2HG LYS 59 -5.043 9.944 1.216 394 1HD LYS 59 2HD LYS 59 -3.119 12.226 0.806 395 1HE LYS 59 2HE LYS 59 -6.131 12.056 0.807 396 1HZ LYS 59 1HZ LYS 59 -4.401 14.375 0.135 397 2HZ LYS 59 2HZ LYS 59 -6.093 14.394 0.255 398 3HZ LYS 59 3HZ LYS 59 -5.338 13.499 -0.973 399 H LYS 60 H LYS 60 -5.121 8.125 2.909 400 HA LYS 60 HA LYS 60 -6.548 5.941 1.763 401 1HB LYS 60 2HB LYS 60 -7.569 8.241 3.449 402 1HG LYS 60 2HG LYS 60 -5.822 6.690 4.503 403 1HD LYS 60 2HD LYS 60 -6.600 4.562 3.745 404 1HE LYS 60 2HE LYS 60 -9.204 5.373 5.026 405 1HZ LYS 60 1HZ LYS 60 -9.970 3.117 4.660 406 2HZ LYS 60 2HZ LYS 60 -8.703 3.150 5.781 407 3HZ LYS 60 3HZ LYS 60 -8.413 2.643 4.192 408 H LEU 61 H LEU 61 -7.435 5.968 -0.225 409 HA LEU 61 HA LEU 61 -8.570 8.454 -1.256 410 1HB LEU 61 2HB LEU 61 -8.235 5.712 -2.468 411 HG LEU 61 HG LEU 61 -6.157 7.173 -2.458 412 1HD1 LEU 61 1HD1 LEU 61 -7.381 6.497 -5.133 413 2HD1 LEU 61 2HD1 LEU 61 -5.665 6.738 -4.803 414 3HD1 LEU 61 3HD1 LEU 61 -6.520 5.376 -4.079 415 1HD2 LEU 61 1HD2 LEU 61 -7.126 9.350 -2.728 416 2HD2 LEU 61 2HD2 LEU 61 -6.151 8.998 -4.148 417 3HD2 LEU 61 3HD2 LEU 61 -7.908 8.874 -4.235 418 H ASP 62 H ASP 62 -9.519 6.670 1.003 419 HA ASP 62 HA ASP 62 -12.251 6.124 0.086 420 1HB ASP 62 2HB ASP 62 -11.135 4.195 1.078
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