NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10597 | 1q10 | 5875 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 5.433 -18.910 2.938 2 2H MET 1 2HT MET 1 5.152 -19.887 1.588 3 3H MET 1 3HT MET 1 4.286 -18.447 1.783 4 HA MET 1 HA MET 1 7.226 -18.435 1.581 5 1HB MET 1 2HB MET 1 6.335 -19.669 -0.353 6 2HB MET 1 1HB MET 1 5.230 -18.345 -0.694 7 1HG MET 1 2HG MET 1 7.116 -16.873 -1.141 8 2HG MET 1 1HG MET 1 8.235 -18.185 -0.774 9 1HE MET 1 1HE MET 1 8.154 -16.621 -3.992 10 2HE MET 1 2HE MET 1 8.975 -18.126 -4.404 11 3HE MET 1 3HE MET 1 9.272 -17.357 -2.844 12 H GLN 2 H GLN 2 7.941 -16.343 0.666 13 HA GLN 2 HA GLN 2 6.178 -14.178 1.586 14 1HB GLN 2 2HB GLN 2 8.343 -14.315 2.727 15 2HB GLN 2 1HB GLN 2 9.176 -14.208 1.183 16 1HG GLN 2 2HG GLN 2 8.273 -11.963 0.850 17 2HG GLN 2 1HG GLN 2 7.439 -12.071 2.399 18 1HE2 GLN 2 1HE2 GLN 2 8.426 -11.014 3.948 19 2HE2 GLN 2 2HE2 GLN 2 10.132 -10.807 4.124 20 H TYR 3 H TYR 3 5.648 -12.482 0.251 21 HA TYR 3 HA TYR 3 6.667 -12.623 -2.508 22 1HB TYR 3 2HB TYR 3 3.825 -12.055 -1.647 23 2HB TYR 3 1HB TYR 3 4.421 -11.955 -3.300 24 HD1 TYR 3 1HD TYR 3 4.057 -13.776 -4.669 25 HD2 TYR 3 2HD TYR 3 4.343 -14.400 -0.471 26 HE1 TYR 3 1HE TYR 3 3.560 -16.162 -4.996 27 HE2 TYR 3 2HE TYR 3 3.848 -16.788 -0.787 28 HH TYR 3 HH TYR 3 4.189 -18.410 -3.387 29 H LYS 4 H LYS 4 6.971 -10.691 -3.587 30 HA LYS 4 HA LYS 4 7.038 -8.326 -1.846 31 1HB LYS 4 2HB LYS 4 9.167 -9.038 -2.889 32 2HB LYS 4 1HB LYS 4 8.443 -8.825 -4.478 33 1HG LYS 4 2HG LYS 4 8.173 -6.443 -4.047 34 2HG LYS 4 1HG LYS 4 8.873 -6.650 -2.441 35 1HD LYS 4 2HD LYS 4 10.958 -7.453 -3.481 36 2HD LYS 4 1HD LYS 4 10.251 -7.178 -5.073 37 1HE LYS 4 2HE LYS 4 11.704 -5.331 -4.435 38 2HE LYS 4 1HE LYS 4 10.028 -4.798 -4.563 39 1HZ LYS 4 1HZ LYS 4 11.587 -4.240 -2.489 40 2HZ LYS 4 2HZ LYS 4 10.885 -5.675 -1.929 41 3HZ LYS 4 3HZ LYS 4 9.904 -4.370 -2.371 42 H VAL 5 H VAL 5 5.232 -7.142 -2.026 43 HA VAL 5 HA VAL 5 3.883 -6.971 -4.611 44 HB VAL 5 HB VAL 5 2.991 -5.925 -1.921 45 1HG1 VAL 5 1HG1 VAL 5 1.757 -5.948 -4.636 46 2HG1 VAL 5 2HG1 VAL 5 1.768 -4.675 -3.416 47 3HG1 VAL 5 3HG1 VAL 5 0.724 -6.082 -3.213 48 1HG2 VAL 5 1HG2 VAL 5 3.228 -8.539 -2.571 49 2HG2 VAL 5 2HG2 VAL 5 1.597 -8.203 -3.152 50 3HG2 VAL 5 3HG2 VAL 5 2.012 -7.901 -1.465 51 H ILE 6 H ILE 6 3.884 -5.210 -5.848 52 HA ILE 6 HA ILE 6 5.271 -2.825 -4.836 53 HB ILE 6 HB ILE 6 4.902 -3.832 -7.659 54 1HG1 ILE 6 2HG1 ILE 6 7.380 -3.397 -5.978 55 2HG1 ILE 6 1HG1 ILE 6 6.645 -4.958 -6.327 56 1HG2 ILE 6 1HG2 ILE 6 4.928 -1.659 -8.224 57 2HG2 ILE 6 2HG2 ILE 6 6.654 -1.770 -7.877 58 3HG2 ILE 6 3HG2 ILE 6 5.547 -1.152 -6.652 59 1HD1 ILE 6 1HD1 ILE 6 8.604 -4.511 -7.719 60 2HD1 ILE 6 2HD1 ILE 6 7.802 -3.084 -8.376 61 3HD1 ILE 6 3HD1 ILE 6 7.137 -4.689 -8.681 62 H LEU 7 H LEU 7 4.040 -1.158 -4.362 63 HA LEU 7 HA LEU 7 1.360 -0.959 -5.530 64 1HB LEU 7 2HB LEU 7 2.488 0.765 -3.331 65 2HB LEU 7 1HB LEU 7 0.807 0.484 -3.732 66 HG LEU 7 HG LEU 7 2.704 -1.453 -2.434 67 1HD1 LEU 7 1HD1 LEU 7 1.741 0.268 -0.979 68 2HD1 LEU 7 2HD1 LEU 7 1.138 -1.340 -0.582 69 3HD1 LEU 7 3HD1 LEU 7 0.123 -0.217 -1.486 70 1HD2 LEU 7 1HD2 LEU 7 -0.165 -1.961 -3.200 71 2HD2 LEU 7 2HD2 LEU 7 0.984 -3.099 -2.495 72 3HD2 LEU 7 3HD2 LEU 7 1.216 -2.520 -4.144 73 H ASN 8 H ASN 8 2.125 -0.302 -7.582 74 HA ASN 8 HA ASN 8 3.508 2.252 -7.776 75 1HB ASN 8 2HB ASN 8 4.191 0.287 -9.153 76 2HB ASN 8 1HB ASN 8 2.638 0.372 -9.976 77 1HD2 ASN 8 1HD2 ASN 8 5.694 0.966 -10.469 78 2HD2 ASN 8 2HD2 ASN 8 5.623 2.382 -11.458 79 H GLY 9 H GLY 9 2.282 4.023 -7.652 80 1HA GLY 9 2HA GLY 9 -0.256 4.042 -9.169 81 2HA GLY 9 1HA GLY 9 -0.025 4.926 -7.667 82 H LYS 10 H LYS 10 -0.802 6.720 -9.101 83 HA LYS 10 HA LYS 10 1.166 7.718 -10.987 84 1HB LYS 10 2HB LYS 10 -1.464 8.904 -10.071 85 2HB LYS 10 1HB LYS 10 -0.454 9.550 -11.357 86 1HG LYS 10 2HG LYS 10 -0.772 7.476 -12.630 87 2HG LYS 10 1HG LYS 10 -1.819 6.866 -11.347 88 1HD LYS 10 2HD LYS 10 -2.307 9.346 -12.997 89 2HD LYS 10 1HD LYS 10 -3.119 7.793 -13.206 90 1HE LYS 10 2HE LYS 10 -4.036 7.974 -10.941 91 2HE LYS 10 1HE LYS 10 -3.229 9.529 -10.741 92 1HZ LYS 10 1HZ LYS 10 -4.550 10.134 -12.870 93 2HZ LYS 10 2HZ LYS 10 -5.330 10.156 -11.370 94 3HZ LYS 10 3HZ LYS 10 -5.547 8.844 -12.414 95 H THR 11 H THR 11 -0.468 8.993 -8.095 96 HA THR 11 HA THR 11 1.702 10.882 -7.669 97 HB THR 11 HB THR 11 0.105 11.599 -5.765 98 HG1 THR 11 1HG THR 11 -2.118 10.987 -6.387 99 1HG2 THR 11 1HG2 THR 11 0.118 13.132 -7.469 100 2HG2 THR 11 2HG2 THR 11 -1.559 12.588 -7.508 101 3HG2 THR 11 3HG2 THR 11 -0.399 11.955 -8.676 102 H LEU 12 H LEU 12 0.961 7.760 -6.816 103 HA LEU 12 HA LEU 12 2.678 7.953 -4.456 104 1HB LEU 12 2HB LEU 12 0.382 7.807 -3.658 105 2HB LEU 12 1HB LEU 12 0.120 6.365 -4.623 106 HG LEU 12 HG LEU 12 1.634 5.100 -3.269 107 1HD1 LEU 12 1HD1 LEU 12 3.393 6.185 -2.456 108 2HD1 LEU 12 2HD1 LEU 12 2.340 6.701 -1.136 109 3HD1 LEU 12 3HD1 LEU 12 2.574 7.737 -2.540 110 1HD2 LEU 12 1HD2 LEU 12 0.134 4.775 -1.653 111 2HD2 LEU 12 2HD2 LEU 12 -0.765 6.108 -2.375 112 3HD2 LEU 12 3HD2 LEU 12 0.328 6.412 -1.026 113 H LYS 13 H LYS 13 4.173 6.413 -4.257 114 HA LYS 13 HA LYS 13 3.989 3.960 -5.822 115 1HB LYS 13 2HB LYS 13 6.295 5.901 -6.076 116 2HB LYS 13 1HB LYS 13 6.287 4.265 -6.719 117 1HG LYS 13 2HG LYS 13 4.405 4.841 -8.167 118 2HG LYS 13 1HG LYS 13 4.416 6.483 -7.523 119 1HD LYS 13 2HD LYS 13 6.697 5.165 -8.995 120 2HD LYS 13 1HD LYS 13 5.565 6.324 -9.693 121 1HE LYS 13 2HE LYS 13 7.448 6.848 -7.394 122 2HE LYS 13 1HE LYS 13 7.665 7.400 -9.054 123 1HZ LYS 13 1HZ LYS 13 6.657 9.232 -8.279 124 2HZ LYS 13 2HZ LYS 13 5.938 8.435 -6.972 125 3HZ LYS 13 3HZ LYS 13 5.231 8.349 -8.506 126 H GLY 14 H GLY 14 5.190 2.243 -4.951 127 1HA GLY 14 2HA GLY 14 7.180 2.563 -2.969 128 2HA GLY 14 1HA GLY 14 5.628 2.299 -2.192 129 H GLU 15 H GLU 15 7.032 0.451 -1.405 130 HA GLU 15 HA GLU 15 6.391 -1.898 -3.023 131 1HB GLU 15 2HB GLU 15 9.116 -1.404 -1.803 132 2HB GLU 15 1HB GLU 15 8.609 -2.877 -2.621 133 1HG GLU 15 2HG GLU 15 8.354 -1.660 -4.704 134 2HG GLU 15 1HG GLU 15 8.797 -0.157 -3.895 135 H THR 16 H THR 16 5.765 -3.644 -1.843 136 HA THR 16 HA THR 16 6.147 -3.587 1.053 137 HB THR 16 HB THR 16 4.032 -2.643 1.036 138 HG1 THR 16 1HG THR 16 3.409 -5.377 0.887 139 1HG2 THR 16 1HG2 THR 16 3.819 -3.399 -1.582 140 2HG2 THR 16 2HG2 THR 16 2.554 -2.642 -0.621 141 3HG2 THR 16 3HG2 THR 16 2.601 -4.394 -0.791 142 H THR 17 H THR 17 5.355 -5.714 2.069 143 HA THR 17 HA THR 17 5.582 -7.972 0.224 144 HB THR 17 HB THR 17 7.281 -9.047 1.696 145 HG1 THR 17 1HG THR 17 7.436 -6.458 2.841 146 1HG2 THR 17 1HG2 THR 17 8.203 -8.130 -0.247 147 2HG2 THR 17 2HG2 THR 17 9.201 -7.521 1.074 148 3HG2 THR 17 3HG2 THR 17 7.990 -6.477 0.330 149 H THR 18 H THR 18 4.032 -9.360 0.628 150 HA THR 18 HA THR 18 2.956 -9.624 3.376 151 HB THR 18 HB THR 18 1.342 -8.892 1.609 152 HG1 THR 18 1HG THR 18 0.683 -10.155 3.429 153 1HG2 THR 18 1HG2 THR 18 0.705 -11.274 0.340 154 2HG2 THR 18 2HG2 THR 18 2.452 -11.115 0.160 155 3HG2 THR 18 3HG2 THR 18 1.387 -9.823 -0.393 156 H GLU 19 H GLU 19 2.681 -11.724 4.231 157 HA GLU 19 HA GLU 19 4.234 -13.803 2.837 158 1HB GLU 19 2HB GLU 19 5.157 -13.139 5.008 159 2HB GLU 19 1HB GLU 19 3.622 -13.504 5.784 160 1HG GLU 19 2HG GLU 19 3.874 -15.855 5.182 161 2HG GLU 19 1HG GLU 19 5.411 -15.490 4.400 162 H ALA 20 H ALA 20 3.077 -15.413 1.943 163 HA ALA 20 HA ALA 20 0.776 -16.461 3.374 164 1HB ALA 20 1HB ALA 20 0.384 -15.779 0.489 165 2HB ALA 20 2HB ALA 20 0.087 -14.579 1.746 166 3HB ALA 20 3HB ALA 20 -0.821 -16.090 1.740 167 H VAL 21 H VAL 21 0.188 -18.521 2.798 168 HA VAL 21 HA VAL 21 2.143 -20.338 2.172 169 HB VAL 21 HB VAL 21 -0.780 -20.763 1.556 170 1HG1 VAL 21 1HG1 VAL 21 -0.118 -23.116 2.357 171 2HG1 VAL 21 2HG1 VAL 21 1.539 -22.591 2.058 172 3HG1 VAL 21 3HG1 VAL 21 0.370 -22.612 0.738 173 1HG2 VAL 21 1HG2 VAL 21 -0.752 -21.715 3.943 174 2HG2 VAL 21 2HG2 VAL 21 -0.817 -19.963 3.742 175 3HG2 VAL 21 3HG2 VAL 21 0.707 -20.747 4.157 176 H ASP 22 H ASP 22 0.250 -18.470 -0.045 177 HA ASP 22 HA ASP 22 1.883 -19.390 -2.241 178 1HB ASP 22 2HB ASP 22 0.068 -20.142 -3.677 179 2HB ASP 22 1HB ASP 22 0.112 -21.104 -2.203 180 H ALA 23 H ALA 23 1.064 -18.309 -4.372 181 HA ALA 23 HA ALA 23 1.234 -15.547 -4.009 182 1HB ALA 23 1HB ALA 23 1.533 -17.184 -6.129 183 2HB ALA 23 2HB ALA 23 1.400 -15.430 -6.254 184 3HB ALA 23 3HB ALA 23 -0.019 -16.443 -6.516 185 H ALA 24 H ALA 24 -1.584 -17.594 -4.618 186 HA ALA 24 HA ALA 24 -3.451 -15.493 -4.885 187 1HB ALA 24 1HB ALA 24 -3.722 -18.017 -5.410 188 2HB ALA 24 2HB ALA 24 -5.115 -17.122 -4.803 189 3HB ALA 24 3HB ALA 24 -4.189 -18.156 -3.715 190 H THR 25 H THR 25 -2.688 -17.555 -2.057 191 HA THR 25 HA THR 25 -4.280 -16.308 -0.188 192 HB THR 25 HB THR 25 -2.579 -17.071 1.476 193 HG1 THR 25 1HG THR 25 -1.102 -17.446 -0.865 194 1HG2 THR 25 1HG2 THR 25 -2.444 -19.525 0.366 195 2HG2 THR 25 2HG2 THR 25 -3.794 -18.822 -0.526 196 3HG2 THR 25 3HG2 THR 25 -3.843 -18.897 1.236 197 H ALA 26 H ALA 26 -0.989 -15.505 -1.244 198 HA ALA 26 HA ALA 26 -0.575 -13.288 0.422 199 1HB ALA 26 1HB ALA 26 0.828 -12.587 -1.771 200 2HB ALA 26 2HB ALA 26 0.601 -14.305 -2.091 201 3HB ALA 26 3HB ALA 26 1.387 -13.783 -0.602 202 H GLU 27 H GLU 27 -1.764 -13.444 -2.946 203 HA GLU 27 HA GLU 27 -2.333 -10.782 -3.342 204 1HB GLU 27 2HB GLU 27 -2.469 -12.484 -5.099 205 2HB GLU 27 1HB GLU 27 -3.891 -13.170 -4.328 206 1HG GLU 27 2HG GLU 27 -5.117 -11.101 -4.734 207 2HG GLU 27 1HG GLU 27 -3.690 -10.404 -5.497 208 H LYS 28 H LYS 28 -4.363 -13.288 -1.881 209 HA LYS 28 HA LYS 28 -6.616 -11.636 -1.434 210 1HB LYS 28 2HB LYS 28 -5.749 -14.157 -0.006 211 2HB LYS 28 1HB LYS 28 -7.335 -13.411 0.137 212 1HG LYS 28 2HG LYS 28 -6.127 -14.593 -2.354 213 2HG LYS 28 1HG LYS 28 -7.437 -15.272 -1.387 214 1HD LYS 28 2HD LYS 28 -8.834 -13.340 -1.916 215 2HD LYS 28 1HD LYS 28 -7.520 -12.645 -2.869 216 1HE LYS 28 2HE LYS 28 -9.166 -13.742 -4.300 217 2HE LYS 28 1HE LYS 28 -7.602 -14.550 -4.389 218 1HZ LYS 28 1HZ LYS 28 -8.432 -16.219 -2.838 219 2HZ LYS 28 2HZ LYS 28 -9.388 -16.151 -4.231 220 3HZ LYS 28 3HZ LYS 28 -9.939 -15.452 -2.793 221 H VAL 29 H VAL 29 -3.957 -12.674 0.692 222 HA VAL 29 HA VAL 29 -4.730 -11.347 3.006 223 HB VAL 29 HB VAL 29 -1.909 -11.767 1.995 224 1HG1 VAL 29 1HG1 VAL 29 -1.882 -11.891 4.754 225 2HG1 VAL 29 2HG1 VAL 29 -2.960 -10.539 4.407 226 3HG1 VAL 29 3HG1 VAL 29 -1.318 -10.545 3.763 227 1HG2 VAL 29 1HG2 VAL 29 -2.918 -13.530 4.094 228 2HG2 VAL 29 2HG2 VAL 29 -2.028 -13.913 2.621 229 3HG2 VAL 29 3HG2 VAL 29 -3.776 -13.692 2.562 230 H VAL 30 H VAL 30 -2.918 -10.195 0.214 231 HA VAL 30 HA VAL 30 -2.330 -7.611 1.199 232 HB VAL 30 HB VAL 30 -2.740 -8.478 -1.671 233 1HG1 VAL 30 1HG1 VAL 30 -1.580 -6.536 -2.339 234 2HG1 VAL 30 2HG1 VAL 30 -1.082 -6.170 -0.687 235 3HG1 VAL 30 3HG1 VAL 30 -2.772 -5.990 -1.159 236 1HG2 VAL 30 1HG2 VAL 30 -0.653 -9.322 -1.720 237 2HG2 VAL 30 2HG2 VAL 30 -0.903 -9.503 0.017 238 3HG2 VAL 30 3HG2 VAL 30 -0.023 -8.108 -0.606 239 H LYS 31 H LYS 31 -5.004 -8.866 -0.810 240 HA LYS 31 HA LYS 31 -6.395 -6.522 -1.239 241 1HB LYS 31 2HB LYS 31 -7.362 -9.343 -0.849 242 2HB LYS 31 1HB LYS 31 -8.473 -8.026 -1.203 243 1HG LYS 31 2HG LYS 31 -7.263 -7.564 -3.273 244 2HG LYS 31 1HG LYS 31 -6.161 -8.897 -2.923 245 1HD LYS 31 2HD LYS 31 -8.009 -10.475 -3.021 246 2HD LYS 31 1HD LYS 31 -9.144 -9.152 -3.299 247 1HE LYS 31 2HE LYS 31 -7.992 -8.612 -5.393 248 2HE LYS 31 1HE LYS 31 -6.869 -9.942 -5.116 249 1HZ LYS 31 1HZ LYS 31 -9.086 -10.169 -6.563 250 2HZ LYS 31 2HZ LYS 31 -9.687 -10.635 -5.053 251 3HZ LYS 31 3HZ LYS 31 -8.382 -11.466 -5.735 252 H GLN 32 H GLN 32 -6.492 -8.657 1.568 253 HA GLN 32 HA GLN 32 -8.517 -7.299 2.985 254 1HB GLN 32 2HB GLN 32 -7.695 -9.550 3.609 255 2HB GLN 32 1HB GLN 32 -6.157 -8.846 4.087 256 1HG GLN 32 2HG GLN 32 -7.474 -9.268 6.039 257 2HG GLN 32 1HG GLN 32 -7.319 -7.530 5.809 258 1HE2 GLN 32 1HE2 GLN 32 -9.480 -8.849 3.573 259 2HE2 GLN 32 2HE2 GLN 32 -10.945 -8.479 4.404 260 H PHE 33 H PHE 33 -5.054 -6.870 2.752 261 HA PHE 33 HA PHE 33 -4.570 -5.008 4.746 262 1HB PHE 33 2HB PHE 33 -2.907 -6.176 3.217 263 2HB PHE 33 1HB PHE 33 -3.318 -4.984 1.992 264 HD1 PHE 33 1HD PHE 33 -2.214 -5.150 5.543 265 HD2 PHE 33 2HD PHE 33 -1.995 -3.122 1.801 266 HE1 PHE 33 1HE PHE 33 -0.524 -3.618 6.467 267 HE2 PHE 33 2HE PHE 33 -0.304 -1.599 2.724 268 HZ PHE 33 HZ PHE 33 0.434 -1.848 5.063 269 H PHE 34 H PHE 34 -5.138 -4.338 1.333 270 HA PHE 34 HA PHE 34 -5.576 -1.540 1.693 271 1HB PHE 34 2HB PHE 34 -6.263 -3.302 -0.663 272 2HB PHE 34 1HB PHE 34 -6.219 -1.535 -0.674 273 HD1 PHE 34 1HD PHE 34 -3.895 -0.802 0.736 274 HD2 PHE 34 2HD PHE 34 -4.463 -4.128 -1.848 275 HE1 PHE 34 1HE PHE 34 -1.478 -0.876 0.313 276 HE2 PHE 34 2HE PHE 34 -2.044 -4.205 -2.287 277 HZ PHE 34 HZ PHE 34 -0.555 -2.577 -1.188 278 H ASN 35 H ASN 35 -7.701 -4.313 1.330 279 HA ASN 35 HA ASN 35 -10.167 -3.082 1.109 280 1HB ASN 35 2HB ASN 35 -9.831 -5.517 1.006 281 2HB ASN 35 1HB ASN 35 -9.439 -5.542 2.722 282 1HD2 ASN 35 1HD2 ASN 35 -11.681 -6.463 0.752 283 2HD2 ASN 35 2HD2 ASN 35 -13.115 -6.178 1.673 284 H ASP 36 H ASP 36 -8.158 -3.639 3.898 285 HA ASP 36 HA ASP 36 -10.074 -2.350 5.686 286 1HB ASP 36 2HB ASP 36 -7.472 -3.774 6.263 287 2HB ASP 36 1HB ASP 36 -8.492 -3.037 7.494 288 H ASN 37 H ASN 37 -7.092 -1.597 4.047 289 HA ASN 37 HA ASN 37 -6.469 0.618 5.807 290 1HB ASN 37 2HB ASN 37 -5.347 -0.159 3.102 291 2HB ASN 37 1HB ASN 37 -4.784 1.218 4.040 292 1HD2 ASN 37 1HD2 ASN 37 -3.622 -1.463 3.128 293 2HD2 ASN 37 2HD2 ASN 37 -2.886 -2.079 4.566 294 H GLY 38 H GLY 38 -7.721 0.127 2.568 295 1HA GLY 38 2HA GLY 38 -8.203 2.089 1.141 296 2HA GLY 38 1HA GLY 38 -9.647 1.365 1.812 297 H VAL 39 H VAL 39 -11.046 2.750 2.540 298 HA VAL 39 HA VAL 39 -10.153 5.458 3.194 299 HB VAL 39 HB VAL 39 -12.951 4.489 2.694 300 1HG1 VAL 39 1HG1 VAL 39 -11.702 7.166 3.090 301 2HG1 VAL 39 2HG1 VAL 39 -13.235 6.535 3.693 302 3HG1 VAL 39 3HG1 VAL 39 -13.084 7.020 2.004 303 1HG2 VAL 39 1HG2 VAL 39 -12.677 5.365 0.418 304 2HG2 VAL 39 2HG2 VAL 39 -11.567 4.036 0.749 305 3HG2 VAL 39 3HG2 VAL 39 -10.979 5.698 0.758 306 H ASP 40 H ASP 40 -10.961 2.755 5.093 307 HA ASP 40 HA ASP 40 -11.920 4.578 7.184 308 1HB ASP 40 2HB ASP 40 -12.793 1.721 6.717 309 2HB ASP 40 1HB ASP 40 -13.273 2.721 8.085 310 H GLY 41 H GLY 41 -9.225 3.276 6.369 311 1HA GLY 41 2HA GLY 41 -8.606 1.528 8.561 312 2HA GLY 41 1HA GLY 41 -7.467 2.184 7.398 313 H GLU 42 H GLU 42 -6.722 1.949 9.995 314 HA GLU 42 HA GLU 42 -7.028 4.580 11.237 315 1HB GLU 42 2HB GLU 42 -5.673 2.074 12.254 316 2HB GLU 42 1HB GLU 42 -5.870 3.565 13.166 317 1HG GLU 42 2HG GLU 42 -8.295 3.311 13.066 318 2HG GLU 42 1HG GLU 42 -8.100 1.817 12.149 319 H TRP 43 H TRP 43 -5.744 5.994 10.164 320 HA TRP 43 HA TRP 43 -2.986 5.238 9.565 321 1HB TRP 43 2HB TRP 43 -4.556 7.694 8.771 322 2HB TRP 43 1HB TRP 43 -2.942 7.279 8.208 323 HD1 TRP 43 HD TRP 43 -5.659 4.571 8.353 324 HE1 TRP 43 1HE TRP 43 -6.246 3.891 5.942 325 HE3 TRP 43 3HE TRP 43 -2.991 8.123 5.834 326 HZ2 TRP 43 2HZ TRP 43 -5.654 4.743 3.321 327 HZ3 TRP 43 3HZ TRP 43 -3.054 8.122 3.381 328 HH2 TRP 43 HH TRP 43 -4.358 6.467 2.146 329 H THR 44 H THR 44 -1.396 5.797 10.893 330 HA THR 44 HA THR 44 -1.795 8.073 12.711 331 HB THR 44 HB THR 44 0.091 7.088 14.012 332 HG1 THR 44 1HG THR 44 -0.187 4.880 12.262 333 1HG2 THR 44 1HG2 THR 44 -1.170 4.800 14.468 334 2HG2 THR 44 2HG2 THR 44 -2.443 5.635 13.578 335 3HG2 THR 44 3HG2 THR 44 -1.777 6.352 15.045 336 H TYR 45 H TYR 45 -0.390 9.805 12.657 337 HA TYR 45 HA TYR 45 1.576 9.755 10.465 338 1HB TYR 45 2HB TYR 45 -0.256 11.350 10.140 339 2HB TYR 45 1HB TYR 45 0.126 12.115 11.678 340 HD1 TYR 45 1HD TYR 45 2.468 10.964 9.026 341 HD2 TYR 45 2HD TYR 45 0.758 14.282 11.067 342 HE1 TYR 45 1HE TYR 45 4.037 12.470 7.879 343 HE2 TYR 45 2HE TYR 45 2.322 15.798 9.925 344 HH TYR 45 HH TYR 45 4.415 15.772 8.791 345 H ASP 46 H ASP 46 3.634 10.452 10.756 346 HA ASP 46 HA ASP 46 4.436 11.190 13.492 347 1HB ASP 46 2HB ASP 46 5.127 8.883 12.985 348 2HB ASP 46 1HB ASP 46 5.964 9.447 11.542 349 H ASP 47 H ASP 47 4.258 13.397 12.804 350 HA ASP 47 HA ASP 47 5.382 14.619 10.633 351 1HB ASP 47 2HB ASP 47 5.289 15.691 13.459 352 2HB ASP 47 1HB ASP 47 5.533 16.664 12.011 353 H ALA 48 H ALA 48 7.030 13.604 13.579 354 HA ALA 48 HA ALA 48 9.427 14.908 13.374 355 1HB ALA 48 1HB ALA 48 9.379 13.679 15.271 356 2HB ALA 48 2HB ALA 48 10.321 12.563 14.283 357 3HB ALA 48 3HB ALA 48 8.589 12.306 14.497 358 H THR 49 H THR 49 8.301 12.236 11.408 359 HA THR 49 HA THR 49 10.791 12.443 9.848 360 HB THR 49 HB THR 49 10.611 10.026 9.349 361 HG1 THR 49 1HG THR 49 8.299 9.965 9.884 362 1HG2 THR 49 1HG2 THR 49 10.779 10.733 12.264 363 2HG2 THR 49 2HG2 THR 49 12.107 10.549 11.119 364 3HG2 THR 49 3HG2 THR 49 11.164 9.141 11.610 365 H LYS 50 H LYS 50 7.832 13.412 9.688 366 HA LYS 50 HA LYS 50 6.215 13.707 8.075 367 1HB LYS 50 2HB LYS 50 8.715 13.487 6.392 368 2HB LYS 50 1HB LYS 50 7.155 13.960 5.739 369 1HG LYS 50 2HG LYS 50 8.599 15.428 7.935 370 2HG LYS 50 1HG LYS 50 8.658 15.861 6.225 371 1HD LYS 50 2HD LYS 50 6.159 16.057 6.284 372 2HD LYS 50 1HD LYS 50 6.247 15.847 8.034 373 1HE LYS 50 2HE LYS 50 7.556 18.045 6.436 374 2HE LYS 50 1HE LYS 50 6.114 18.209 7.436 375 1HZ LYS 50 1HZ LYS 50 7.438 17.638 9.375 376 2HZ LYS 50 2HZ LYS 50 8.085 18.988 8.590 377 3HZ LYS 50 3HZ LYS 50 8.821 17.476 8.415 378 H THR 51 H THR 51 6.582 11.001 8.968 379 HA THR 51 HA THR 51 5.839 9.548 6.520 380 HB THR 51 HB THR 51 7.304 8.518 8.953 381 HG1 THR 51 1HG THR 51 8.586 9.686 7.464 382 1HG2 THR 51 1HG2 THR 51 6.694 6.467 8.425 383 2HG2 THR 51 2HG2 THR 51 7.453 6.670 6.846 384 3HG2 THR 51 3HG2 THR 51 5.748 7.062 7.061 385 H PHE 52 H PHE 52 4.124 8.181 6.564 386 HA PHE 52 HA PHE 52 2.387 8.330 8.941 387 1HB PHE 52 2HB PHE 52 1.603 7.693 6.084 388 2HB PHE 52 1HB PHE 52 0.512 7.941 7.440 389 HD1 PHE 52 1HD PHE 52 -0.574 9.952 7.508 390 HD2 PHE 52 2HD PHE 52 3.298 9.771 5.747 391 HE1 PHE 52 1HE PHE 52 -0.723 12.342 6.936 392 HE2 PHE 52 2HE PHE 52 3.156 12.159 5.180 393 HZ PHE 52 HZ PHE 52 1.144 13.448 5.774 394 H THR 53 H THR 53 1.543 6.413 9.805 395 HA THR 53 HA THR 53 2.578 3.942 8.589 396 HB THR 53 HB THR 53 2.442 3.069 11.040 397 HG1 THR 53 1HG THR 53 2.700 5.861 11.431 398 1HG2 THR 53 1HG2 THR 53 4.575 4.560 9.690 399 2HG2 THR 53 2HG2 THR 53 4.584 2.953 10.422 400 3HG2 THR 53 3HG2 THR 53 4.748 4.388 11.437 401 H VAL 54 H VAL 54 0.910 3.131 7.578 402 HA VAL 54 HA VAL 54 -1.760 3.135 8.705 403 HB VAL 54 HB VAL 54 -0.732 1.754 6.211 404 1HG1 VAL 54 1HG1 VAL 54 -2.830 0.817 7.192 405 2HG1 VAL 54 2HG1 VAL 54 -3.020 1.483 5.570 406 3HG1 VAL 54 3HG1 VAL 54 -3.577 2.399 6.971 407 1HG2 VAL 54 1HG2 VAL 54 -1.096 3.636 5.016 408 2HG2 VAL 54 2HG2 VAL 54 -0.810 4.418 6.571 409 3HG2 VAL 54 3HG2 VAL 54 -2.460 4.137 6.016 410 H THR 55 H THR 55 -2.156 1.783 10.339 411 HA THR 55 HA THR 55 -0.842 -0.839 10.330 412 HB THR 55 HB THR 55 -2.268 0.499 12.626 413 HG1 THR 55 1HG THR 55 -0.464 1.714 12.050 414 1HG2 THR 55 1HG2 THR 55 -0.849 -1.020 13.986 415 2HG2 THR 55 2HG2 THR 55 -0.392 -1.848 12.496 416 3HG2 THR 55 3HG2 THR 55 -2.076 -1.845 13.024 417 H GLU 56 H GLU 56 -1.942 -2.524 9.647 418 HA GLU 56 HA GLU 56 -4.639 -2.564 9.004 419 1HB GLU 56 2HB GLU 56 -3.066 -4.200 8.132 420 2HB GLU 56 1HB GLU 56 -2.820 -4.862 9.741 421 1HG GLU 56 2HG GLU 56 -4.273 -6.282 8.413 422 2HG GLU 56 1HG GLU 56 -5.126 -5.619 9.805 423 1H MET 1 1HT MET 1 5.932 18.825 -2.768 424 2H MET 1 2HT MET 1 5.655 19.809 -1.420 425 3H MET 1 3HT MET 1 4.758 18.390 -1.629 426 HA MET 1 HA MET 1 7.692 18.308 -1.386 427 1HB MET 1 2HB MET 1 6.805 19.563 0.536 428 2HB MET 1 1HB MET 1 5.664 18.266 0.862 429 1HG MET 1 2HG MET 1 7.508 16.748 1.335 430 2HG MET 1 1HG MET 1 8.663 18.032 0.983 431 1HE MET 1 1HE MET 1 8.498 16.472 4.200 432 2HE MET 1 2HE MET 1 9.350 17.957 4.623 433 3HE MET 1 3HE MET 1 9.650 17.181 3.068 434 H GLN 2 H GLN 2 8.344 16.199 -0.461 435 HA GLN 2 HA GLN 2 6.542 14.077 -1.406 436 1HB GLN 2 2HB GLN 2 8.727 14.162 -2.516 437 2HB GLN 2 1HB GLN 2 9.534 14.034 -0.960 438 1HG GLN 2 2HG GLN 2 8.572 11.812 -0.640 439 2HG GLN 2 1HG GLN 2 7.764 11.940 -2.202 440 1HE2 GLN 2 1HE2 GLN 2 8.747 10.859 -3.736 441 2HE2 GLN 2 2HE2 GLN 2 10.450 10.611 -3.889 442 H TYR 3 H TYR 3 5.953 12.394 -0.079 443 HA TYR 3 HA TYR 3 6.937 12.511 2.695 444 1HB TYR 3 2HB TYR 3 4.093 12.012 1.793 445 2HB TYR 3 1HB TYR 3 4.664 11.898 3.455 446 HD1 TYR 3 1HD TYR 3 4.325 13.727 4.819 447 HD2 TYR 3 2HD TYR 3 4.685 14.344 0.625 448 HE1 TYR 3 1HE TYR 3 3.881 16.124 5.139 449 HE2 TYR 3 2HE TYR 3 4.243 16.744 0.934 450 HH TYR 3 HH TYR 3 4.587 18.357 3.539 451 H LYS 4 H LYS 4 7.177 10.572 3.777 452 HA LYS 4 HA LYS 4 7.211 8.205 2.038 453 1HB LYS 4 2HB LYS 4 9.341 8.867 3.111 454 2HB LYS 4 1HB LYS 4 8.591 8.671 4.689 455 1HG LYS 4 2HG LYS 4 8.269 6.296 4.254 456 2HG LYS 4 1HG LYS 4 8.997 6.486 2.657 457 1HD LYS 4 2HD LYS 4 11.085 7.240 3.727 458 2HD LYS 4 1HD LYS 4 10.350 6.980 5.310 459 1HE LYS 4 2HE LYS 4 11.766 5.099 4.690 460 2HE LYS 4 1HE LYS 4 10.076 4.607 4.795 461 1HZ LYS 4 1HZ LYS 4 11.651 4.012 2.743 462 2HZ LYS 4 2HZ LYS 4 10.992 5.462 2.174 463 3HZ LYS 4 3HZ LYS 4 9.973 4.181 2.602 464 H VAL 5 H VAL 5 5.376 7.066 2.191 465 HA VAL 5 HA VAL 5 3.986 6.929 4.757 466 HB VAL 5 HB VAL 5 3.107 5.905 2.054 467 1HG1 VAL 5 1HG1 VAL 5 1.835 5.958 4.752 468 2HG1 VAL 5 2HG1 VAL 5 1.833 4.685 3.532 469 3HG1 VAL 5 3HG1 VAL 5 0.826 6.116 3.314 470 1HG2 VAL 5 1HG2 VAL 5 3.398 8.512 2.708 471 2HG2 VAL 5 2HG2 VAL 5 1.751 8.216 3.266 472 3HG2 VAL 5 3HG2 VAL 5 2.182 7.903 1.584 473 H ILE 6 H ILE 6 3.927 5.168 5.994 474 HA ILE 6 HA ILE 6 5.269 2.751 5.001 475 HB ILE 6 HB ILE 6 4.885 3.766 7.818 476 1HG1 ILE 6 2HG1 ILE 6 7.375 3.272 6.172 477 2HG1 ILE 6 1HG1 ILE 6 6.673 4.849 6.512 478 1HG2 ILE 6 1HG2 ILE 6 4.851 1.594 8.382 479 2HG2 ILE 6 2HG2 ILE 6 6.584 1.663 8.061 480 3HG2 ILE 6 3HG2 ILE 6 5.479 1.071 6.820 481 1HD1 ILE 6 1HD1 ILE 6 8.601 4.356 7.931 482 2HD1 ILE 6 2HD1 ILE 6 7.756 2.949 8.576 483 3HD1 ILE 6 3HD1 ILE 6 7.126 4.569 8.872 484 H LEU 7 H LEU 7 4.006 1.114 4.509 485 HA LEU 7 HA LEU 7 1.305 0.980 5.639 486 1HB LEU 7 2HB LEU 7 2.421 -0.771 3.455 487 2HB LEU 7 1HB LEU 7 0.742 -0.450 3.833 488 HG LEU 7 HG LEU 7 2.704 1.441 2.562 489 1HD1 LEU 7 1HD1 LEU 7 1.719 -0.257 1.093 490 2HD1 LEU 7 2HD1 LEU 7 1.161 1.366 0.689 491 3HD1 LEU 7 3HD1 LEU 7 0.107 0.267 1.578 492 1HD2 LEU 7 1HD2 LEU 7 -0.162 2.019 3.288 493 2HD2 LEU 7 2HD2 LEU 7 1.023 3.129 2.599 494 3HD2 LEU 7 3HD2 LEU 7 1.218 2.544 4.251 495 H ASN 8 H ASN 8 2.024 0.304 7.701 496 HA ASN 8 HA ASN 8 3.342 -2.283 7.914 497 1HB ASN 8 2HB ASN 8 4.054 -0.334 9.301 498 2HB ASN 8 1HB ASN 8 2.487 -0.381 10.102 499 1HD2 ASN 8 1HD2 ASN 8 5.521 -1.049 10.639 500 2HD2 ASN 8 2HD2 ASN 8 5.402 -2.463 11.626 501 H GLY 9 H GLY 9 2.075 -4.023 7.773 502 1HA GLY 9 2HA GLY 9 -0.484 -3.979 9.253 503 2HA GLY 9 1HA GLY 9 -0.252 -4.869 7.756 504 H LYS 10 H LYS 10 -1.093 -6.643 9.177 505 HA LYS 10 HA LYS 10 0.822 -7.689 11.091 506 1HB LYS 10 2HB LYS 10 -1.821 -8.811 10.137 507 2HB LYS 10 1HB LYS 10 -0.847 -9.481 11.438 508 1HG LYS 10 2HG LYS 10 -1.132 -7.399 12.706 509 2HG LYS 10 1HG LYS 10 -2.146 -6.764 11.410 510 1HD LYS 10 2HD LYS 10 -2.717 -9.231 13.052 511 2HD LYS 10 1HD LYS 10 -3.493 -7.659 13.249 512 1HE LYS 10 2HE LYS 10 -4.382 -7.818 10.972 513 2HE LYS 10 1HE LYS 10 -3.611 -9.392 10.783 514 1HZ LYS 10 1HZ LYS 10 -4.977 -9.964 12.893 515 2HZ LYS 10 2HZ LYS 10 -5.735 -9.969 11.382 516 3HZ LYS 10 3HZ LYS 10 -5.935 -8.651 12.423 517 H THR 11 H THR 11 -0.801 -8.924 8.175 518 HA THR 11 HA THR 11 1.328 -10.866 7.781 519 HB THR 11 HB THR 11 -0.258 -11.543 5.853 520 HG1 THR 11 1HG THR 11 -2.474 -10.878 6.445 521 1HG2 THR 11 1HG2 THR 11 -0.307 -13.076 7.557 522 2HG2 THR 11 2HG2 THR 11 -1.971 -12.492 7.574 523 3HG2 THR 11 3HG2 THR 11 -0.812 -11.887 8.757 524 H LEU 12 H LEU 12 0.676 -7.726 6.918 525 HA LEU 12 HA LEU 12 2.420 -7.962 4.582 526 1HB LEU 12 2HB LEU 12 0.141 -7.760 3.751 527 2HB LEU 12 1HB LEU 12 -0.100 -6.312 4.713 528 HG LEU 12 HG LEU 12 1.463 -5.085 3.381 529 1HD1 LEU 12 1HD1 LEU 12 3.207 -6.211 2.593 530 2HD1 LEU 12 2HD1 LEU 12 2.161 -6.702 1.258 531 3HD1 LEU 12 3HD1 LEU 12 2.350 -7.743 2.665 532 1HD2 LEU 12 1HD2 LEU 12 -0.005 -4.723 1.743 533 2HD2 LEU 12 2HD2 LEU 12 -0.946 -6.034 2.454 534 3HD2 LEU 12 3HD2 LEU 12 0.158 -6.365 1.119 535 H LYS 13 H LYS 13 3.954 -6.459 4.405 536 HA LYS 13 HA LYS 13 3.808 -4.003 5.967 537 1HB LYS 13 2HB LYS 13 6.063 -5.998 6.253 538 2HB LYS 13 1HB LYS 13 6.086 -4.361 6.896 539 1HG LYS 13 2HG LYS 13 4.170 -4.891 8.317 540 2HG LYS 13 1HG LYS 13 4.151 -6.534 7.673 541 1HD LYS 13 2HD LYS 13 6.443 -5.271 9.177 542 2HD LYS 13 1HD LYS 13 5.272 -6.403 9.860 543 1HE LYS 13 2HE LYS 13 7.174 -6.972 7.587 544 2HE LYS 13 1HE LYS 13 7.354 -7.529 9.251 545 1HZ LYS 13 1HZ LYS 13 6.313 -9.336 8.460 546 2HZ LYS 13 2HZ LYS 13 5.631 -8.522 7.144 547 3HZ LYS 13 3HZ LYS 13 4.906 -8.418 8.667 548 H GLY 14 H GLY 14 5.063 -2.314 5.113 549 1HA GLY 14 2HA GLY 14 7.072 -2.682 3.160 550 2HA GLY 14 1HA GLY 14 5.539 -2.381 2.361 551 H GLU 15 H GLU 15 6.999 -0.568 1.594 552 HA GLU 15 HA GLU 15 6.392 1.795 3.204 553 1HB GLU 15 2HB GLU 15 9.121 1.237 2.023 554 2HB GLU 15 1HB GLU 15 8.639 2.721 2.833 555 1HG GLU 15 2HG GLU 15 8.325 1.510 4.912 556 2HG GLU 15 1HG GLU 15 8.742 -0.003 4.109 557 H THR 16 H THR 16 5.825 3.557 2.015 558 HA THR 16 HA THR 16 6.248 3.488 -0.875 559 HB THR 16 HB THR 16 4.109 2.597 -0.889 560 HG1 THR 16 1HG THR 16 3.550 5.346 -0.748 561 1HG2 THR 16 1HG2 THR 16 3.878 3.358 1.726 562 2HG2 THR 16 2HG2 THR 16 2.608 2.633 0.748 563 3HG2 THR 16 3HG2 THR 16 2.695 4.383 0.917 564 H THR 17 H THR 17 5.521 5.635 -1.902 565 HA THR 17 HA THR 17 5.776 7.887 -0.054 566 HB THR 17 HB THR 17 7.521 8.920 -1.502 567 HG1 THR 17 1HG THR 17 7.631 6.328 -2.644 568 1HG2 THR 17 1HG2 THR 17 8.394 7.982 0.454 569 2HG2 THR 17 2HG2 THR 17 9.395 7.348 -0.852 570 3HG2 THR 17 3HG2 THR 17 8.148 6.335 -0.125 571 H THR 18 H THR 18 4.267 9.312 -0.480 572 HA THR 18 HA THR 18 3.237 9.602 -3.241 573 HB THR 18 HB THR 18 1.580 8.911 -1.499 574 HG1 THR 18 1HG THR 18 0.979 10.189 -3.328 575 1HG2 THR 18 1HG2 THR 18 0.983 11.308 -0.237 576 2HG2 THR 18 2HG2 THR 18 2.723 11.106 -0.033 577 3HG2 THR 18 3HG2 THR 18 1.619 9.840 0.505 578 H GLU 19 H GLU 19 3.025 11.707 -4.100 579 HA GLU 19 HA GLU 19 4.608 13.749 -2.684 580 1HB GLU 19 2HB GLU 19 5.545 13.062 -4.842 581 2HB GLU 19 1HB GLU 19 4.031 13.465 -5.640 582 1HG GLU 19 2HG GLU 19 4.331 15.810 -5.034 583 2HG GLU 19 1HG GLU 19 5.848 15.407 -4.230 584 H ALA 20 H ALA 20 3.478 15.386 -1.807 585 HA ALA 20 HA ALA 20 1.223 16.491 -3.270 586 1HB ALA 20 1HB ALA 20 0.774 15.819 -0.392 587 2HB ALA 20 2HB ALA 20 0.465 14.625 -1.653 588 3HB ALA 20 3HB ALA 20 -0.404 16.158 -1.658 589 H VAL 21 H VAL 21 0.678 18.564 -2.701 590 HA VAL 21 HA VAL 21 2.667 20.333 -2.048 591 HB VAL 21 HB VAL 21 -0.252 20.829 -1.474 592 1HG1 VAL 21 1HG1 VAL 21 0.477 23.164 -2.264 593 2HG1 VAL 21 2HG1 VAL 21 2.117 22.601 -1.942 594 3HG1 VAL 21 3HG1 VAL 21 0.929 22.650 -0.639 595 1HG2 VAL 21 1HG2 VAL 21 -0.169 21.779 -3.860 596 2HG2 VAL 21 2HG2 VAL 21 -0.280 20.030 -3.660 597 3HG2 VAL 21 3HG2 VAL 21 1.269 20.777 -4.054 598 H ASP 22 H ASP 22 0.699 18.511 0.141 599 HA ASP 22 HA ASP 22 2.321 19.392 2.359 600 1HB ASP 22 2HB ASP 22 0.504 20.188 3.771 601 2HB ASP 22 1HB ASP 22 0.593 21.148 2.298 602 H ALA 23 H ALA 23 1.447 18.332 4.480 603 HA ALA 23 HA ALA 23 1.554 15.566 4.119 604 1HB ALA 23 1HB ALA 23 1.864 17.196 6.244 605 2HB ALA 23 2HB ALA 23 1.686 15.446 6.366 606 3HB ALA 23 3HB ALA 23 0.288 16.494 6.609 607 H ALA 24 H ALA 24 -1.221 17.681 4.689 608 HA ALA 24 HA ALA 24 -3.141 15.627 4.929 609 1HB ALA 24 1HB ALA 24 -3.359 18.156 5.450 610 2HB ALA 24 2HB ALA 24 -4.765 17.295 4.823 611 3HB ALA 24 3HB ALA 24 -3.799 18.306 3.749 612 H THR 25 H THR 25 -2.289 17.669 2.112 613 HA THR 25 HA THR 25 -3.885 16.460 0.220 614 HB THR 25 HB THR 25 -2.143 17.181 -1.420 615 HG1 THR 25 1HG THR 25 -0.691 17.521 0.942 616 1HG2 THR 25 1HG2 THR 25 -1.963 19.632 -0.307 617 2HG2 THR 25 2HG2 THR 25 -3.343 18.963 0.565 618 3HG2 THR 25 3HG2 THR 25 -3.364 19.037 -1.197 619 H ALA 26 H ALA 26 -0.630 15.578 1.323 620 HA ALA 26 HA ALA 26 -0.246 13.351 -0.338 621 1HB ALA 26 1HB ALA 26 1.108 12.616 1.875 622 2HB ALA 26 2HB ALA 26 0.919 14.340 2.192 623 3HB ALA 26 3HB ALA 26 1.713 13.798 0.713 624 H GLU 27 H GLU 27 -1.478 13.537 3.013 625 HA GLU 27 HA GLU 27 -2.117 10.889 3.401 626 1HB GLU 27 2HB GLU 27 -2.237 12.594 5.156 627 2HB GLU 27 1HB GLU 27 -3.631 13.315 4.365 628 1HG GLU 27 2HG GLU 27 -4.913 11.277 4.752 629 2HG GLU 27 1HG GLU 27 -3.514 10.545 5.536 630 H LYS 28 H LYS 28 -4.066 13.444 1.910 631 HA LYS 28 HA LYS 28 -6.351 11.847 1.433 632 1HB LYS 28 2HB LYS 28 -5.403 14.346 0.016 633 2HB LYS 28 1HB LYS 28 -7.005 13.639 -0.148 634 1HG LYS 28 2HG LYS 28 -5.802 14.791 2.360 635 2HG LYS 28 1HG LYS 28 -7.083 15.503 1.375 636 1HD LYS 28 2HD LYS 28 -8.533 13.605 1.884 637 2HD LYS 28 1HD LYS 28 -7.252 12.877 2.855 638 1HE LYS 28 2HE LYS 28 -8.890 14.014 4.263 639 2HE LYS 28 1HE LYS 28 -7.307 14.785 4.373 640 1HZ LYS 28 1HZ LYS 28 -8.075 16.473 2.810 641 2HZ LYS 28 2HZ LYS 28 -9.052 16.429 4.190 642 3HZ LYS 28 3HZ LYS 28 -9.599 15.743 2.744 643 H VAL 29 H VAL 29 -3.638 12.820 -0.656 644 HA VAL 29 HA VAL 29 -4.410 11.511 -2.979 645 HB VAL 29 HB VAL 29 -1.594 11.863 -1.929 646 1HG1 VAL 29 1HG1 VAL 29 -1.525 11.986 -4.688 647 2HG1 VAL 29 2HG1 VAL 29 -2.641 10.660 -4.357 648 3HG1 VAL 29 3HG1 VAL 29 -1.008 10.627 -3.689 649 1HG2 VAL 29 1HG2 VAL 29 -2.530 13.649 -4.043 650 2HG2 VAL 29 2HG2 VAL 29 -1.652 14.011 -2.558 651 3HG2 VAL 29 3HG2 VAL 29 -3.405 13.833 -2.522 652 H VAL 30 H VAL 30 -2.666 10.316 -0.163 653 HA VAL 30 HA VAL 30 -2.127 7.719 -1.140 654 HB VAL 30 HB VAL 30 -2.556 8.595 1.724 655 1HG1 VAL 30 1HG1 VAL 30 -1.454 6.625 2.408 656 2HG1 VAL 30 2HG1 VAL 30 -0.942 6.248 0.762 657 3HG1 VAL 30 3HG1 VAL 30 -2.642 6.109 1.211 658 1HG2 VAL 30 1HG2 VAL 30 -0.450 9.389 1.801 659 2HG2 VAL 30 2HG2 VAL 30 -0.671 9.576 0.062 660 3HG2 VAL 30 3HG2 VAL 30 0.166 8.160 0.698 661 H LYS 31 H LYS 31 -4.799 9.038 0.831 662 HA LYS 31 HA LYS 31 -6.252 6.729 1.240 663 1HB LYS 31 2HB LYS 31 -7.144 9.573 0.836 664 2HB LYS 31 1HB LYS 31 -8.292 8.283 1.175 665 1HG LYS 31 2HG LYS 31 -7.123 7.792 3.261 666 2HG LYS 31 1HG LYS 31 -5.983 9.097 2.927 667 1HD LYS 31 2HD LYS 31 -7.794 10.721 3.000 668 2HD LYS 31 1HD LYS 31 -8.965 9.426 3.262 669 1HE LYS 31 2HE LYS 31 -7.856 8.858 5.372 670 2HE LYS 31 1HE LYS 31 -6.696 10.160 5.110 671 1HZ LYS 31 1HZ LYS 31 -8.928 10.441 6.526 672 2HZ LYS 31 2HZ LYS 31 -9.497 10.922 5.007 673 3HZ LYS 31 3HZ LYS 31 -8.181 11.721 5.709 674 H GLN 32 H GLN 32 -6.257 8.864 -1.568 675 HA GLN 32 HA GLN 32 -8.295 7.557 -3.013 676 1HB GLN 32 2HB GLN 32 -7.409 9.787 -3.626 677 2HB GLN 32 1HB GLN 32 -5.883 9.046 -4.083 678 1HG GLN 32 2HG GLN 32 -7.161 9.499 -6.052 679 2HG GLN 32 1HG GLN 32 -7.051 7.759 -5.821 680 1HE2 GLN 32 1HE2 GLN 32 -9.212 9.130 -3.614 681 2HE2 GLN 32 2HE2 GLN 32 -10.672 8.794 -4.466 682 H PHE 33 H PHE 33 -4.847 7.044 -2.732 683 HA PHE 33 HA PHE 33 -4.380 5.170 -4.720 684 1HB PHE 33 2HB PHE 33 -2.710 6.297 -3.167 685 2HB PHE 33 1HB PHE 33 -3.167 5.116 -1.948 686 HD1 PHE 33 1HD PHE 33 -2.010 5.255 -5.484 687 HD2 PHE 33 2HD PHE 33 -1.894 3.223 -1.738 688 HE1 PHE 33 1HE PHE 33 -0.345 3.682 -6.384 689 HE2 PHE 33 2HE PHE 33 -0.227 1.659 -2.637 690 HZ PHE 33 HZ PHE 33 0.551 1.890 -4.965 691 H PHE 34 H PHE 34 -5.012 4.515 -1.315 692 HA PHE 34 HA PHE 34 -5.512 1.729 -1.681 693 1HB PHE 34 2HB PHE 34 -6.190 3.506 0.666 694 2HB PHE 34 1HB PHE 34 -6.188 1.740 0.676 695 HD1 PHE 34 1HD PHE 34 -3.863 0.949 -0.701 696 HD2 PHE 34 2HD PHE 34 -4.387 4.289 1.876 697 HE1 PHE 34 1HE PHE 34 -1.451 0.965 -0.244 698 HE2 PHE 34 2HE PHE 34 -1.973 4.307 2.349 699 HZ PHE 34 HZ PHE 34 -0.509 2.643 1.271 700 H ASN 35 H ASN 35 -7.575 4.552 -1.348 701 HA ASN 35 HA ASN 35 -10.073 3.382 -1.162 702 1HB ASN 35 2HB ASN 35 -9.679 5.808 -1.054 703 2HB ASN 35 1HB ASN 35 -9.262 5.823 -2.765 704 1HD2 ASN 35 1HD2 ASN 35 -11.509 6.798 -0.825 705 2HD2 ASN 35 2HD2 ASN 35 -12.936 6.548 -1.767 706 H ASP 36 H ASP 36 -8.011 3.889 -3.922 707 HA ASP 36 HA ASP 36 -9.933 2.646 -5.737 708 1HB ASP 36 2HB ASP 36 -7.289 4.007 -6.277 709 2HB ASP 36 1HB ASP 36 -8.310 3.295 -7.524 710 H ASN 37 H ASN 37 -6.993 1.822 -4.056 711 HA ASN 37 HA ASN 37 -6.399 -0.408 -5.808 712 1HB ASN 37 2HB ASN 37 -5.297 0.341 -3.087 713 2HB ASN 37 1HB ASN 37 -4.754 -1.049 -4.018 714 1HD2 ASN 37 1HD2 ASN 37 -3.540 1.604 -3.089 715 2HD2 ASN 37 2HD2 ASN 37 -2.770 2.202 -4.516 716 H GLY 38 H GLY 38 -7.686 0.113 -2.587 717 1HA GLY 38 2HA GLY 38 -8.234 -1.836 -1.168 718 2HA GLY 38 1HA GLY 38 -9.651 -1.078 -1.858 719 H VAL 39 H VAL 39 -11.073 -2.429 -2.606 720 HA VAL 39 HA VAL 39 -10.236 -5.157 -3.248 721 HB VAL 39 HB VAL 39 -13.017 -4.121 -2.787 722 1HG1 VAL 39 1HG1 VAL 39 -11.828 -6.826 -3.166 723 2HG1 VAL 39 2HG1 VAL 39 -13.336 -6.159 -3.791 724 3HG1 VAL 39 3HG1 VAL 39 -13.221 -6.647 -2.099 725 1HG2 VAL 39 1HG2 VAL 39 -12.796 -5.003 -0.509 726 2HG2 VAL 39 2HG2 VAL 39 -11.650 -3.700 -0.823 727 3HG2 VAL 39 3HG2 VAL 39 -11.103 -5.377 -0.825 728 H ASP 40 H ASP 40 -10.953 -2.435 -5.158 729 HA ASP 40 HA ASP 40 -11.925 -4.235 -7.263 730 1HB ASP 40 2HB ASP 40 -12.735 -1.358 -6.807 731 2HB ASP 40 1HB ASP 40 -13.219 -2.346 -8.182 732 H GLY 41 H GLY 41 -9.211 -2.998 -6.409 733 1HA GLY 41 2HA GLY 41 -8.519 -1.266 -8.592 734 2HA GLY 41 1HA GLY 41 -7.412 -1.949 -7.412 735 H GLU 42 H GLU 42 -6.625 -1.733 -10.000 736 HA GLU 42 HA GLU 42 -6.978 -4.356 -11.245 737 1HB GLU 42 2HB GLU 42 -5.548 -1.885 -12.245 738 2HB GLU 42 1HB GLU 42 -5.768 -3.370 -13.158 739 1HG GLU 42 2HG GLU 42 -8.188 -3.057 -13.092 740 2HG GLU 42 1HG GLU 42 -7.969 -1.569 -12.173 741 H TRP 43 H TRP 43 -5.743 -5.801 -10.156 742 HA TRP 43 HA TRP 43 -2.977 -5.112 -9.517 743 1HB TRP 43 2HB TRP 43 -4.617 -7.528 -8.746 744 2HB TRP 43 1HB TRP 43 -3.002 -7.153 -8.160 745 HD1 TRP 43 HD TRP 43 -5.650 -4.381 -8.343 746 HE1 TRP 43 1HE TRP 43 -6.254 -3.685 -5.940 747 HE3 TRP 43 3HE TRP 43 -3.104 -7.995 -5.787 748 HZ2 TRP 43 2HZ TRP 43 -5.721 -4.551 -3.311 749 HZ3 TRP 43 3HZ TRP 43 -3.202 -7.993 -3.336 750 HH2 TRP 43 HH TRP 43 -4.483 -6.307 -2.119 751 H THR 44 H THR 44 -1.382 -5.710 -10.822 752 HA THR 44 HA THR 44 -1.810 -7.976 -12.648 753 HB THR 44 HB THR 44 0.117 -7.038 -13.920 754 HG1 THR 44 1HG THR 44 -0.132 -4.823 -12.175 755 1HG2 THR 44 1HG2 THR 44 -1.082 -4.719 -14.394 756 2HG2 THR 44 2HG2 THR 44 -2.387 -5.522 -13.522 757 3HG2 THR 44 3HG2 THR 44 -1.718 -6.256 -14.979 758 H TYR 45 H TYR 45 -0.449 -9.741 -12.573 759 HA TYR 45 HA TYR 45 1.485 -9.739 -10.354 760 1HB TYR 45 2HB TYR 45 -0.387 -11.289 -10.054 761 2HB TYR 45 1HB TYR 45 -0.003 -12.063 -11.587 762 HD1 TYR 45 1HD TYR 45 2.329 -10.968 -8.902 763 HD2 TYR 45 2HD TYR 45 0.569 -14.244 -10.968 764 HE1 TYR 45 1HE TYR 45 3.844 -12.512 -7.733 765 HE2 TYR 45 2HE TYR 45 2.078 -15.798 -9.804 766 HH TYR 45 HH TYR 45 4.154 -15.823 -8.640 767 H ASP 46 H ASP 46 3.530 -10.485 -10.615 768 HA ASP 46 HA ASP 46 4.353 -11.243 -13.340 769 1HB ASP 46 2HB ASP 46 5.093 -8.954 -12.823 770 2HB ASP 46 1HB ASP 46 5.895 -9.538 -11.369 771 H ASP 47 H ASP 47 4.112 -13.446 -12.654 772 HA ASP 47 HA ASP 47 5.175 -14.694 -10.468 773 1HB ASP 47 2HB ASP 47 5.096 -15.764 -13.295 774 2HB ASP 47 1HB ASP 47 5.296 -16.741 -11.844 775 H ALA 48 H ALA 48 6.889 -13.719 -13.391 776 HA ALA 48 HA ALA 48 9.250 -15.082 -13.152 777 1HB ALA 48 1HB ALA 48 9.259 -13.852 -15.050 778 2HB ALA 48 2HB ALA 48 10.214 -12.760 -14.048 779 3HB ALA 48 3HB ALA 48 8.492 -12.460 -14.285 780 H THR 49 H THR 49 8.162 -12.382 -11.202 781 HA THR 49 HA THR 49 10.624 -12.650 -9.606 782 HB THR 49 HB THR 49 10.496 -10.229 -9.110 783 HG1 THR 49 1HG THR 49 8.193 -10.112 -9.678 784 1HG2 THR 49 1HG2 THR 49 10.687 -10.940 -12.022 785 2HG2 THR 49 2HG2 THR 49 12.003 -10.788 -10.858 786 3HG2 THR 49 3HG2 THR 49 11.102 -9.358 -11.363 787 H LYS 50 H LYS 50 7.639 -13.547 -9.488 788 HA LYS 50 HA LYS 50 5.994 -13.803 -7.899 789 1HB LYS 50 2HB LYS 50 8.475 -13.642 -6.180 790 2HB LYS 50 1HB LYS 50 6.894 -14.078 -5.550 791 1HG LYS 50 2HG LYS 50 8.333 -15.580 -7.725 792 2HG LYS 50 1HG LYS 50 8.357 -16.015 -6.015 793 1HD LYS 50 2HD LYS 50 5.855 -16.150 -6.109 794 2HD LYS 50 1HD LYS 50 5.973 -15.942 -7.858 795 1HE LYS 50 2HE LYS 50 7.205 -18.171 -6.241 796 2HE LYS 50 1HE LYS 50 5.774 -18.300 -7.263 797 1HZ LYS 50 1HZ LYS 50 7.139 -17.762 -9.183 798 2HZ LYS 50 2HZ LYS 50 7.743 -19.127 -8.389 799 3HZ LYS 50 3HZ LYS 50 8.512 -17.633 -8.202 800 H THR 51 H THR 51 6.439 -11.106 -8.785 801 HA THR 51 HA THR 51 5.697 -9.634 -6.348 802 HB THR 51 HB THR 51 7.221 -8.641 -8.760 803 HG1 THR 51 1HG THR 51 8.452 -9.839 -7.254 804 1HG2 THR 51 1HG2 THR 51 6.653 -6.575 -8.240 805 2HG2 THR 51 2HG2 THR 51 7.385 -6.798 -6.651 806 3HG2 THR 51 3HG2 THR 51 5.673 -7.147 -6.890 807 H PHE 52 H PHE 52 4.016 -8.227 -6.417 808 HA PHE 52 HA PHE 52 2.310 -8.333 -8.817 809 1HB PHE 52 2HB PHE 52 1.501 -7.677 -5.973 810 2HB PHE 52 1HB PHE 52 0.423 -7.899 -7.344 811 HD1 PHE 52 1HD PHE 52 -0.708 -9.883 -7.427 812 HD2 PHE 52 2HD PHE 52 3.141 -9.796 -5.612 813 HE1 PHE 52 1HE PHE 52 -0.924 -12.269 -6.857 814 HE2 PHE 52 2HE PHE 52 2.933 -12.180 -5.046 815 HZ PHE 52 HZ PHE 52 0.899 -13.419 -5.670 816 H THR 53 H THR 53 1.525 -6.396 -9.693 817 HA THR 53 HA THR 53 2.603 -3.952 -8.462 818 HB THR 53 HB THR 53 2.521 -3.077 -10.916 819 HG1 THR 53 1HG THR 53 2.719 -5.873 -11.303 820 1HG2 THR 53 1HG2 THR 53 4.599 -4.618 -9.535 821 2HG2 THR 53 2HG2 THR 53 4.658 -3.012 -10.267 822 3HG2 THR 53 3HG2 THR 53 4.801 -4.451 -11.279 823 H VAL 54 H VAL 54 0.941 -3.101 -7.474 824 HA VAL 54 HA VAL 54 -1.713 -3.040 -8.640 825 HB VAL 54 HB VAL 54 -0.687 -1.683 -6.131 826 1HG1 VAL 54 1HG1 VAL 54 -2.746 -0.696 -7.141 827 2HG1 VAL 54 2HG1 VAL 54 -2.977 -1.357 -5.522 828 3HG1 VAL 54 3HG1 VAL 54 -3.535 -2.259 -6.932 829 1HG2 VAL 54 1HG2 VAL 54 -1.113 -3.555 -4.942 830 2HG2 VAL 54 2HG2 VAL 54 -0.824 -4.345 -6.492 831 3HG2 VAL 54 3HG2 VAL 54 -2.474 -4.023 -5.960 832 H THR 55 H THR 55 -2.053 -1.678 -10.278 833 HA THR 55 HA THR 55 -0.675 0.912 -10.251 834 HB THR 55 HB THR 55 -2.101 -0.392 -12.566 835 HG1 THR 55 1HG THR 55 -0.336 -1.651 -11.965 836 1HG2 THR 55 1HG2 THR 55 -0.626 1.091 -13.906 837 2HG2 THR 55 2HG2 THR 55 -0.170 1.908 -12.411 838 3HG2 THR 55 3HG2 THR 55 -1.846 1.946 -12.962 839 H GLU 56 H GLU 56 -1.744 2.623 -9.583 840 HA GLU 56 HA GLU 56 -4.448 2.727 -8.978 841 1HB GLU 56 2HB GLU 56 -2.848 4.325 -8.083 842 2HB GLU 56 1HB GLU 56 -2.563 4.981 -9.689 843 1HG GLU 56 2HG GLU 56 -4.000 6.436 -8.381 844 2HG GLU 56 1HG GLU 56 -4.849 5.794 -9.786 Start of MODEL 2 1 1H MET 1 1HT MET 1 5.610 -18.778 2.890 2 2H MET 1 2HT MET 1 5.295 -19.697 1.505 3 3H MET 1 3HT MET 1 4.528 -18.206 1.722 4 HA MET 1 HA MET 1 7.456 -18.330 1.649 5 1HB MET 1 2HB MET 1 6.622 -19.614 -0.291 6 2HB MET 1 1HB MET 1 5.638 -18.240 -0.769 7 1HG MET 1 2HG MET 1 7.492 -16.972 -1.390 8 2HG MET 1 1HG MET 1 8.608 -17.993 -0.485 9 1HE MET 1 1HE MET 1 6.034 -17.859 -3.244 10 2HE MET 1 2HE MET 1 5.795 -19.594 -3.041 11 3HE MET 1 3HE MET 1 6.602 -18.978 -4.483 12 H GLN 2 H GLN 2 8.269 -16.295 0.643 13 HA GLN 2 HA GLN 2 6.678 -14.043 1.604 14 1HB GLN 2 2HB GLN 2 9.003 -14.314 2.422 15 2HB GLN 2 1HB GLN 2 9.584 -14.163 0.771 16 1HG GLN 2 2HG GLN 2 9.905 -12.075 1.831 17 2HG GLN 2 1HG GLN 2 8.576 -11.890 0.694 18 1HE2 GLN 2 1HE2 GLN 2 7.461 -13.636 3.312 19 2HE2 GLN 2 2HE2 GLN 2 6.788 -12.338 4.222 20 H TYR 3 H TYR 3 5.809 -12.561 0.289 21 HA TYR 3 HA TYR 3 6.619 -12.566 -2.544 22 1HB TYR 3 2HB TYR 3 3.833 -12.253 -1.408 23 2HB TYR 3 1HB TYR 3 4.253 -11.982 -3.096 24 HD1 TYR 3 1HD TYR 3 4.262 -13.759 -4.614 25 HD2 TYR 3 2HD TYR 3 4.264 -14.586 -0.440 26 HE1 TYR 3 1HE TYR 3 3.906 -16.144 -5.092 27 HE2 TYR 3 2HE TYR 3 3.913 -16.975 -0.906 28 HH TYR 3 HH TYR 3 4.126 -18.274 -4.115 29 H LYS 4 H LYS 4 6.874 -10.596 -3.528 30 HA LYS 4 HA LYS 4 6.724 -8.270 -1.734 31 1HB LYS 4 2HB LYS 4 8.956 -8.758 -2.596 32 2HB LYS 4 1HB LYS 4 8.354 -8.688 -4.246 33 1HG LYS 4 2HG LYS 4 7.825 -6.324 -3.962 34 2HG LYS 4 1HG LYS 4 8.413 -6.391 -2.298 35 1HD LYS 4 2HD LYS 4 10.058 -6.938 -4.769 36 2HD LYS 4 1HD LYS 4 10.091 -5.450 -3.822 37 1HE LYS 4 2HE LYS 4 10.846 -6.730 -1.866 38 2HE LYS 4 1HE LYS 4 10.838 -8.201 -2.837 39 1HZ LYS 4 1HZ LYS 4 12.408 -6.821 -4.354 40 2HZ LYS 4 2HZ LYS 4 13.021 -7.568 -2.967 41 3HZ LYS 4 3HZ LYS 4 12.676 -5.913 -2.951 42 H VAL 5 H VAL 5 4.958 -7.079 -2.012 43 HA VAL 5 HA VAL 5 3.731 -6.945 -4.662 44 HB VAL 5 HB VAL 5 2.648 -5.978 -2.010 45 1HG1 VAL 5 1HG1 VAL 5 1.763 -5.622 -4.764 46 2HG1 VAL 5 2HG1 VAL 5 1.263 -4.783 -3.297 47 3HG1 VAL 5 3HG1 VAL 5 0.526 -6.328 -3.723 48 1HG2 VAL 5 1HG2 VAL 5 2.382 -8.184 -1.666 49 2HG2 VAL 5 2HG2 VAL 5 2.589 -8.580 -3.372 50 3HG2 VAL 5 3HG2 VAL 5 1.027 -8.008 -2.782 51 H ILE 6 H ILE 6 3.622 -5.131 -5.830 52 HA ILE 6 HA ILE 6 5.005 -2.757 -4.779 53 HB ILE 6 HB ILE 6 4.668 -3.717 -7.623 54 1HG1 ILE 6 2HG1 ILE 6 7.131 -3.366 -5.900 55 2HG1 ILE 6 1HG1 ILE 6 6.374 -4.903 -6.301 56 1HG2 ILE 6 1HG2 ILE 6 4.726 -1.530 -8.123 57 2HG2 ILE 6 2HG2 ILE 6 6.450 -1.687 -7.787 58 3HG2 ILE 6 3HG2 ILE 6 5.360 -1.076 -6.540 59 1HD1 ILE 6 1HD1 ILE 6 8.026 -3.102 -7.980 60 2HD1 ILE 6 2HD1 ILE 6 6.774 -4.068 -8.763 61 3HD1 ILE 6 3HD1 ILE 6 8.049 -4.860 -7.838 62 H LEU 7 H LEU 7 3.847 -0.976 -4.465 63 HA LEU 7 HA LEU 7 1.142 -0.857 -5.596 64 1HB LEU 7 2HB LEU 7 2.178 0.918 -3.404 65 2HB LEU 7 1HB LEU 7 0.521 0.460 -3.756 66 HG LEU 7 HG LEU 7 2.651 -1.281 -2.538 67 1HD1 LEU 7 1HD1 LEU 7 1.632 0.352 -1.028 68 2HD1 LEU 7 2HD1 LEU 7 1.191 -1.302 -0.604 69 3HD1 LEU 7 3HD1 LEU 7 0.034 -0.268 -1.444 70 1HD2 LEU 7 1HD2 LEU 7 -0.177 -1.993 -3.304 71 2HD2 LEU 7 2HD2 LEU 7 0.954 -3.026 -2.430 72 3HD2 LEU 7 3HD2 LEU 7 1.287 -2.570 -4.100 73 H ASN 8 H ASN 8 1.614 -0.048 -7.614 74 HA ASN 8 HA ASN 8 3.054 2.493 -7.798 75 1HB ASN 8 2HB ASN 8 2.214 0.485 -9.881 76 2HB ASN 8 1HB ASN 8 2.868 2.062 -10.298 77 1HD2 ASN 8 1HD2 ASN 8 4.392 1.299 -7.518 78 2HD2 ASN 8 2HD2 ASN 8 5.787 0.514 -8.155 79 H GLY 9 H GLY 9 1.788 4.225 -7.452 80 1HA GLY 9 2HA GLY 9 -0.845 4.255 -8.784 81 2HA GLY 9 1HA GLY 9 -0.468 5.159 -7.325 82 H LYS 10 H LYS 10 -1.459 6.860 -8.794 83 HA LYS 10 HA LYS 10 0.181 7.856 -10.924 84 1HB LYS 10 2HB LYS 10 -2.153 9.113 -9.472 85 2HB LYS 10 1HB LYS 10 -1.397 9.772 -10.916 86 1HG LYS 10 2HG LYS 10 -2.050 7.794 -12.177 87 2HG LYS 10 1HG LYS 10 -2.784 7.106 -10.726 88 1HD LYS 10 2HD LYS 10 -4.346 8.992 -10.627 89 2HD LYS 10 1HD LYS 10 -3.613 9.672 -12.081 90 1HE LYS 10 2HE LYS 10 -5.009 7.005 -11.889 91 2HE LYS 10 1HE LYS 10 -5.685 8.474 -12.592 92 1HZ LYS 10 1HZ LYS 10 -4.881 7.584 -14.476 93 2HZ LYS 10 2HZ LYS 10 -3.735 6.622 -13.685 94 3HZ LYS 10 3HZ LYS 10 -3.415 8.260 -13.965 95 H THR 11 H THR 11 -0.711 9.142 -7.720 96 HA THR 11 HA THR 11 1.672 10.847 -7.784 97 HB THR 11 HB THR 11 0.416 11.950 -5.817 98 HG1 THR 11 1HG THR 11 -1.153 10.005 -6.008 99 1HG2 THR 11 1HG2 THR 11 0.249 13.428 -7.480 100 2HG2 THR 11 2HG2 THR 11 -1.395 12.806 -7.640 101 3HG2 THR 11 3HG2 THR 11 -0.111 12.186 -8.679 102 H LEU 12 H LEU 12 0.953 7.885 -6.763 103 HA LEU 12 HA LEU 12 2.696 8.127 -4.424 104 1HB LEU 12 2HB LEU 12 0.431 8.051 -3.566 105 2HB LEU 12 1HB LEU 12 0.087 6.620 -4.515 106 HG LEU 12 HG LEU 12 1.566 5.296 -3.170 107 1HD1 LEU 12 1HD1 LEU 12 3.374 6.316 -2.373 108 2HD1 LEU 12 2HD1 LEU 12 2.350 6.870 -1.048 109 3HD1 LEU 12 3HD1 LEU 12 2.610 7.899 -2.452 110 1HD2 LEU 12 1HD2 LEU 12 -0.787 6.392 -2.280 111 2HD2 LEU 12 2HD2 LEU 12 0.317 6.684 -0.937 112 3HD2 LEU 12 3HD2 LEU 12 0.071 5.043 -1.533 113 H LYS 13 H LYS 13 4.159 6.530 -4.183 114 HA LYS 13 HA LYS 13 3.904 4.075 -5.745 115 1HB LYS 13 2HB LYS 13 6.302 5.910 -5.952 116 2HB LYS 13 1HB LYS 13 6.176 4.308 -6.663 117 1HG LYS 13 2HG LYS 13 4.421 5.033 -8.132 118 2HG LYS 13 1HG LYS 13 4.363 6.609 -7.342 119 1HD LYS 13 2HD LYS 13 5.569 6.787 -9.431 120 2HD LYS 13 1HD LYS 13 6.677 7.037 -8.083 121 1HE LYS 13 2HE LYS 13 6.329 4.384 -9.464 122 2HE LYS 13 1HE LYS 13 7.522 5.580 -9.965 123 1HZ LYS 13 1HZ LYS 13 7.900 5.312 -7.267 124 2HZ LYS 13 2HZ LYS 13 8.863 4.646 -8.484 125 3HZ LYS 13 3HZ LYS 13 7.619 3.729 -7.799 126 H GLY 14 H GLY 14 5.035 2.320 -4.866 127 1HA GLY 14 2HA GLY 14 7.021 2.597 -2.862 128 2HA GLY 14 1HA GLY 14 5.456 2.328 -2.116 129 H GLU 15 H GLU 15 6.985 0.478 -1.391 130 HA GLU 15 HA GLU 15 6.293 -1.844 -3.035 131 1HB GLU 15 2HB GLU 15 9.015 -1.451 -1.773 132 2HB GLU 15 1HB GLU 15 8.485 -2.858 -2.682 133 1HG GLU 15 2HG GLU 15 9.650 -1.795 -4.305 134 2HG GLU 15 1HG GLU 15 8.075 -1.046 -4.560 135 H THR 16 H THR 16 5.678 -3.614 -1.893 136 HA THR 16 HA THR 16 6.029 -3.596 1.009 137 HB THR 16 HB THR 16 3.889 -2.716 0.979 138 HG1 THR 16 1HG THR 16 3.345 -5.465 0.770 139 1HG2 THR 16 1HG2 THR 16 3.288 -2.602 -1.270 140 2HG2 THR 16 2HG2 THR 16 2.074 -3.647 -0.533 141 3HG2 THR 16 3HG2 THR 16 3.386 -4.349 -1.476 142 H THR 17 H THR 17 5.349 -5.739 1.990 143 HA THR 17 HA THR 17 5.605 -7.977 0.130 144 HB THR 17 HB THR 17 7.369 -9.000 1.554 145 HG1 THR 17 1HG THR 17 7.586 -6.416 2.688 146 1HG2 THR 17 1HG2 THR 17 7.987 -6.383 0.229 147 2HG2 THR 17 2HG2 THR 17 8.198 -8.012 -0.411 148 3HG2 THR 17 3HG2 THR 17 9.232 -7.439 0.896 149 H THR 18 H THR 18 4.160 -9.475 0.583 150 HA THR 18 HA THR 18 3.073 -9.671 3.322 151 HB THR 18 HB THR 18 1.445 -9.149 1.525 152 HG1 THR 18 1HG THR 18 0.865 -10.434 3.374 153 1HG2 THR 18 1HG2 THR 18 0.778 -11.019 0.005 154 2HG2 THR 18 2HG2 THR 18 2.308 -11.798 0.407 155 3HG2 THR 18 3HG2 THR 18 2.304 -10.229 -0.396 156 H GLU 19 H GLU 19 3.074 -11.607 4.385 157 HA GLU 19 HA GLU 19 4.734 -13.744 3.224 158 1HB GLU 19 2HB GLU 19 5.377 -12.811 5.441 159 2HB GLU 19 1HB GLU 19 3.822 -13.314 6.084 160 1HG GLU 19 2HG GLU 19 5.439 -14.912 6.757 161 2HG GLU 19 1HG GLU 19 4.429 -15.663 5.522 162 H ALA 20 H ALA 20 3.503 -15.242 2.151 163 HA ALA 20 HA ALA 20 1.235 -16.378 3.598 164 1HB ALA 20 1HB ALA 20 0.659 -14.511 1.813 165 2HB ALA 20 2HB ALA 20 -0.354 -15.937 2.031 166 3HB ALA 20 3HB ALA 20 0.808 -15.875 0.705 167 H VAL 21 H VAL 21 0.723 -18.471 3.059 168 HA VAL 21 HA VAL 21 2.748 -20.225 2.465 169 HB VAL 21 HB VAL 21 -0.162 -20.759 1.873 170 1HG1 VAL 21 1HG1 VAL 21 1.976 -22.672 2.784 171 2HG1 VAL 21 2HG1 VAL 21 1.535 -22.431 1.094 172 3HG1 VAL 21 3HG1 VAL 21 0.345 -23.056 2.235 173 1HG2 VAL 21 1HG2 VAL 21 -0.069 -21.693 4.270 174 2HG2 VAL 21 2HG2 VAL 21 -0.212 -19.948 4.054 175 3HG2 VAL 21 3HG2 VAL 21 1.350 -20.663 4.458 176 H ASP 22 H ASP 22 0.755 -18.478 0.220 177 HA ASP 22 HA ASP 22 2.444 -19.313 -1.956 178 1HB ASP 22 2HB ASP 22 0.690 -20.221 -3.391 179 2HB ASP 22 1HB ASP 22 0.842 -21.172 -1.917 180 H ALA 23 H ALA 23 1.501 -18.359 -4.115 181 HA ALA 23 HA ALA 23 1.501 -15.590 -3.845 182 1HB ALA 23 1HB ALA 23 1.056 -17.494 -6.045 183 2HB ALA 23 2HB ALA 23 2.110 -16.083 -5.957 184 3HB ALA 23 3HB ALA 23 0.389 -15.879 -6.284 185 H ALA 24 H ALA 24 -1.225 -17.805 -4.261 186 HA ALA 24 HA ALA 24 -3.215 -15.830 -4.526 187 1HB ALA 24 1HB ALA 24 -4.588 -17.851 -3.378 188 2HB ALA 24 2HB ALA 24 -3.158 -18.723 -3.931 189 3HB ALA 24 3HB ALA 24 -4.140 -17.819 -5.084 190 H THR 25 H THR 25 -2.216 -17.694 -1.640 191 HA THR 25 HA THR 25 -3.809 -16.415 0.224 192 HB THR 25 HB THR 25 -2.010 -17.031 1.865 193 HG1 THR 25 1HG THR 25 -0.621 -17.453 -0.503 194 1HG2 THR 25 1HG2 THR 25 -3.228 -18.954 0.003 195 2HG2 THR 25 2HG2 THR 25 -3.326 -18.851 1.761 196 3HG2 THR 25 3HG2 THR 25 -1.898 -19.546 0.996 197 H ALA 26 H ALA 26 -0.577 -15.536 -0.973 198 HA ALA 26 HA ALA 26 -0.229 -13.232 0.600 199 1HB ALA 26 1HB ALA 26 0.977 -14.342 -1.850 200 2HB ALA 26 2HB ALA 26 1.746 -13.644 -0.425 201 3HB ALA 26 3HB ALA 26 1.094 -12.592 -1.681 202 H GLU 27 H GLU 27 -1.369 -13.582 -2.763 203 HA GLU 27 HA GLU 27 -2.109 -11.021 -3.333 204 1HB GLU 27 2HB GLU 27 -2.187 -12.884 -4.923 205 2HB GLU 27 1HB GLU 27 -3.556 -13.570 -4.061 206 1HG GLU 27 2HG GLU 27 -4.891 -11.608 -4.624 207 2HG GLU 27 1HG GLU 27 -3.519 -10.931 -5.499 208 H LYS 28 H LYS 28 -4.088 -13.507 -1.735 209 HA LYS 28 HA LYS 28 -6.383 -11.940 -1.354 210 1HB LYS 28 2HB LYS 28 -5.324 -14.265 0.261 211 2HB LYS 28 1HB LYS 28 -6.931 -13.576 0.455 212 1HG LYS 28 2HG LYS 28 -5.840 -14.910 -2.013 213 2HG LYS 28 1HG LYS 28 -7.043 -15.564 -0.901 214 1HD LYS 28 2HD LYS 28 -8.551 -13.710 -1.466 215 2HD LYS 28 1HD LYS 28 -7.350 -13.092 -2.602 216 1HE LYS 28 2HE LYS 28 -9.080 -14.368 -3.758 217 2HE LYS 28 1HE LYS 28 -7.507 -15.152 -3.901 218 1HZ LYS 28 1HZ LYS 28 -9.811 -16.337 -3.077 219 2HZ LYS 28 2HZ LYS 28 -8.994 -16.055 -1.623 220 3HZ LYS 28 3HZ LYS 28 -8.252 -16.951 -2.849 221 H VAL 29 H VAL 29 -3.551 -12.469 0.692 222 HA VAL 29 HA VAL 29 -4.367 -11.092 2.959 223 HB VAL 29 HB VAL 29 -1.595 -11.294 1.765 224 1HG1 VAL 29 1HG1 VAL 29 -2.542 -10.233 4.404 225 2HG1 VAL 29 2HG1 VAL 29 -1.418 -9.508 3.254 226 3HG1 VAL 29 3HG1 VAL 29 -0.922 -10.906 4.210 227 1HG2 VAL 29 1HG2 VAL 29 -3.183 -13.291 2.765 228 2HG2 VAL 29 2HG2 VAL 29 -2.222 -12.828 4.170 229 3HG2 VAL 29 3HG2 VAL 29 -1.421 -13.329 2.681 230 H VAL 30 H VAL 30 -2.935 -9.889 -0.024 231 HA VAL 30 HA VAL 30 -2.590 -7.217 0.802 232 HB VAL 30 HB VAL 30 -3.201 -8.168 -1.996 233 1HG1 VAL 30 1HG1 VAL 30 -3.263 -5.687 -1.433 234 2HG1 VAL 30 2HG1 VAL 30 -2.207 -6.178 -2.758 235 3HG1 VAL 30 3HG1 VAL 30 -1.524 -5.818 -1.172 236 1HG2 VAL 30 1HG2 VAL 30 -1.122 -8.984 -2.234 237 2HG2 VAL 30 2HG2 VAL 30 -1.146 -9.099 -0.474 238 3HG2 VAL 30 3HG2 VAL 30 -0.402 -7.704 -1.257 239 H LYS 31 H LYS 31 -5.300 -8.869 -0.871 240 HA LYS 31 HA LYS 31 -6.995 -6.732 -1.234 241 1HB LYS 31 2HB LYS 31 -7.534 -9.612 -0.669 242 2HB LYS 31 1HB LYS 31 -8.870 -8.475 -0.695 243 1HG LYS 31 2HG LYS 31 -8.614 -9.601 -2.826 244 2HG LYS 31 1HG LYS 31 -8.345 -7.869 -2.979 245 1HD LYS 31 2HD LYS 31 -5.899 -8.303 -2.930 246 2HD LYS 31 1HD LYS 31 -6.252 -10.035 -2.926 247 1HE LYS 31 2HE LYS 31 -7.538 -9.721 -5.028 248 2HE LYS 31 1HE LYS 31 -7.022 -8.037 -5.051 249 1HZ LYS 31 1HZ LYS 31 -5.263 -8.726 -6.174 250 2HZ LYS 31 2HZ LYS 31 -5.637 -10.351 -5.920 251 3HZ LYS 31 3HZ LYS 31 -4.716 -9.508 -4.777 252 H GLN 32 H GLN 32 -6.743 -8.757 1.679 253 HA GLN 32 HA GLN 32 -8.662 -7.301 3.162 254 1HB GLN 32 2HB GLN 32 -7.861 -9.578 3.773 255 2HB GLN 32 1HB GLN 32 -6.302 -8.890 4.198 256 1HG GLN 32 2HG GLN 32 -7.556 -9.253 6.195 257 2HG GLN 32 1HG GLN 32 -7.409 -7.521 5.922 258 1HE2 GLN 32 1HE2 GLN 32 -9.633 -8.849 3.768 259 2HE2 GLN 32 2HE2 GLN 32 -11.072 -8.477 4.639 260 H PHE 33 H PHE 33 -5.196 -7.028 2.766 261 HA PHE 33 HA PHE 33 -4.567 -5.145 4.689 262 1HB PHE 33 2HB PHE 33 -2.985 -6.406 3.185 263 2HB PHE 33 1HB PHE 33 -3.402 -5.279 1.899 264 HD1 PHE 33 1HD PHE 33 -1.879 -5.566 5.237 265 HD2 PHE 33 2HD PHE 33 -2.352 -3.159 1.748 266 HE1 PHE 33 1HE PHE 33 -0.116 -4.050 6.036 267 HE2 PHE 33 2HE PHE 33 -0.590 -1.645 2.557 268 HZ PHE 33 HZ PHE 33 0.524 -2.099 4.708 269 H PHE 34 H PHE 34 -5.362 -4.534 1.294 270 HA PHE 34 HA PHE 34 -5.618 -1.701 1.705 271 1HB PHE 34 2HB PHE 34 -6.285 -3.409 -0.690 272 2HB PHE 34 1HB PHE 34 -6.341 -1.644 -0.668 273 HD1 PHE 34 1HD PHE 34 -4.023 -0.922 0.878 274 HD2 PHE 34 2HD PHE 34 -4.472 -3.988 -2.035 275 HE1 PHE 34 1HE PHE 34 -1.610 -0.841 0.434 276 HE2 PHE 34 2HE PHE 34 -2.055 -3.908 -2.491 277 HZ PHE 34 HZ PHE 34 -0.628 -2.337 -1.241 278 H ASN 35 H ASN 35 -7.876 -4.381 1.354 279 HA ASN 35 HA ASN 35 -10.275 -3.029 1.109 280 1HB ASN 35 2HB ASN 35 -10.170 -5.454 1.064 281 2HB ASN 35 1HB ASN 35 -9.632 -5.501 2.739 282 1HD2 ASN 35 1HD2 ASN 35 -12.151 -6.131 0.897 283 2HD2 ASN 35 2HD2 ASN 35 -13.452 -5.787 1.976 284 H ASP 36 H ASP 36 -8.288 -3.586 3.928 285 HA ASP 36 HA ASP 36 -10.153 -2.165 5.665 286 1HB ASP 36 2HB ASP 36 -7.580 -3.609 6.329 287 2HB ASP 36 1HB ASP 36 -8.668 -2.881 7.507 288 H ASN 37 H ASN 37 -7.109 -1.579 4.047 289 HA ASN 37 HA ASN 37 -6.428 0.654 5.753 290 1HB ASN 37 2HB ASN 37 -5.321 -0.220 3.073 291 2HB ASN 37 1HB ASN 37 -4.720 1.164 3.976 292 1HD2 ASN 37 1HD2 ASN 37 -3.541 -1.472 3.136 293 2HD2 ASN 37 2HD2 ASN 37 -2.865 -2.117 4.590 294 H GLY 38 H GLY 38 -7.708 0.143 2.528 295 1HA GLY 38 2HA GLY 38 -8.164 2.058 1.051 296 2HA GLY 38 1HA GLY 38 -9.618 1.456 1.810 297 H VAL 39 H VAL 39 -10.898 2.963 2.474 298 HA VAL 39 HA VAL 39 -9.995 5.662 2.722 299 HB VAL 39 HB VAL 39 -12.736 4.479 3.037 300 1HG1 VAL 39 1HG1 VAL 39 -13.079 6.453 4.126 301 2HG1 VAL 39 2HG1 VAL 39 -13.253 7.025 2.466 302 3HG1 VAL 39 3HG1 VAL 39 -11.729 7.257 3.324 303 1HG2 VAL 39 1HG2 VAL 39 -11.968 4.196 0.812 304 2HG2 VAL 39 2HG2 VAL 39 -11.319 5.834 0.758 305 3HG2 VAL 39 3HG2 VAL 39 -13.064 5.579 0.803 306 H ASP 40 H ASP 40 -11.753 3.579 5.081 307 HA ASP 40 HA ASP 40 -11.133 5.566 7.111 308 1HB ASP 40 2HB ASP 40 -12.884 3.110 7.221 309 2HB ASP 40 1HB ASP 40 -12.695 4.275 8.528 310 H GLY 41 H GLY 41 -8.980 3.771 6.109 311 1HA GLY 41 2HA GLY 41 -8.451 1.789 8.064 312 2HA GLY 41 1HA GLY 41 -7.267 2.499 6.979 313 H GLU 42 H GLU 42 -7.161 1.795 9.883 314 HA GLU 42 HA GLU 42 -7.024 4.270 11.333 315 1HB GLU 42 2HB GLU 42 -5.917 1.538 12.018 316 2HB GLU 42 1HB GLU 42 -6.012 2.901 13.126 317 1HG GLU 42 2HG GLU 42 -8.350 1.507 11.840 318 2HG GLU 42 1HG GLU 42 -7.810 1.309 13.508 319 H TRP 43 H TRP 43 -5.591 5.676 10.372 320 HA TRP 43 HA TRP 43 -2.825 4.733 10.009 321 1HB TRP 43 2HB TRP 43 -4.048 7.268 8.926 322 2HB TRP 43 1HB TRP 43 -2.494 6.573 8.499 323 HD1 TRP 43 HD TRP 43 -5.014 3.859 8.530 324 HE1 TRP 43 1HE TRP 43 -5.808 3.354 6.148 325 HE3 TRP 43 3HE TRP 43 -3.073 7.938 6.178 326 HZ2 TRP 43 2HZ TRP 43 -5.632 4.542 3.580 327 HZ3 TRP 43 3HZ TRP 43 -3.417 8.190 3.766 328 HH2 TRP 43 HH TRP 43 -4.675 6.524 2.487 329 H THR 44 H THR 44 -1.210 5.533 11.206 330 HA THR 44 HA THR 44 -1.797 7.808 12.979 331 HB THR 44 HB THR 44 0.118 6.987 14.341 332 HG1 THR 44 1HG THR 44 1.071 5.834 12.491 333 1HG2 THR 44 1HG2 THR 44 -1.771 4.700 13.922 334 2HG2 THR 44 2HG2 THR 44 -2.248 6.186 14.746 335 3HG2 THR 44 3HG2 THR 44 -0.946 5.193 15.400 336 H TYR 45 H TYR 45 -0.465 9.621 12.894 337 HA TYR 45 HA TYR 45 1.495 9.605 10.695 338 1HB TYR 45 2HB TYR 45 -0.436 11.089 10.341 339 2HB TYR 45 1HB TYR 45 -0.053 11.940 11.834 340 HD1 TYR 45 1HD TYR 45 2.354 10.768 9.263 341 HD2 TYR 45 2HD TYR 45 0.388 14.106 11.021 342 HE1 TYR 45 1HE TYR 45 3.823 12.286 8.006 343 HE2 TYR 45 2HE TYR 45 1.853 15.635 9.768 344 HH TYR 45 HH TYR 45 3.984 15.653 8.663 345 H ASP 46 H ASP 46 3.532 10.354 10.980 346 HA ASP 46 HA ASP 46 4.262 11.282 13.677 347 1HB ASP 46 2HB ASP 46 5.031 8.969 13.331 348 2HB ASP 46 1HB ASP 46 5.882 9.468 11.872 349 H ASP 47 H ASP 47 4.032 13.439 12.840 350 HA ASP 47 HA ASP 47 5.184 14.524 10.600 351 1HB ASP 47 2HB ASP 47 4.944 15.808 13.329 352 2HB ASP 47 1HB ASP 47 5.220 16.675 11.821 353 H ALA 48 H ALA 48 6.726 13.762 13.667 354 HA ALA 48 HA ALA 48 9.123 15.110 13.398 355 1HB ALA 48 1HB ALA 48 8.196 13.640 15.328 356 2HB ALA 48 2HB ALA 48 9.940 13.781 15.099 357 3HB ALA 48 3HB ALA 48 9.089 12.345 14.530 358 H THR 49 H THR 49 8.071 12.156 11.827 359 HA THR 49 HA THR 49 10.678 12.020 10.459 360 HB THR 49 HB THR 49 10.253 9.629 10.111 361 HG1 THR 49 1HG THR 49 7.841 10.234 11.438 362 1HG2 THR 49 1HG2 THR 49 10.948 8.940 12.136 363 2HG2 THR 49 2HG2 THR 49 9.696 9.837 12.997 364 3HG2 THR 49 3HG2 THR 49 11.130 10.673 12.403 365 H LYS 50 H LYS 50 7.806 13.267 9.908 366 HA LYS 50 HA LYS 50 6.461 13.633 8.069 367 1HB LYS 50 2HB LYS 50 9.155 13.159 6.791 368 2HB LYS 50 1HB LYS 50 7.758 13.727 5.894 369 1HG LYS 50 2HG LYS 50 8.828 15.173 8.297 370 2HG LYS 50 1HG LYS 50 9.414 15.475 6.660 371 1HD LYS 50 2HD LYS 50 6.567 15.776 7.619 372 2HD LYS 50 1HD LYS 50 7.694 17.087 7.269 373 1HE LYS 50 2HE LYS 50 6.533 15.103 5.323 374 2HE LYS 50 1HE LYS 50 6.231 16.838 5.393 375 1HZ LYS 50 1HZ LYS 50 7.784 16.370 3.648 376 2HZ LYS 50 2HZ LYS 50 8.798 15.519 4.699 377 3HZ LYS 50 3HZ LYS 50 8.600 17.188 4.885 378 H THR 51 H THR 51 6.425 10.932 9.053 379 HA THR 51 HA THR 51 5.790 9.537 6.548 380 HB THR 51 HB THR 51 7.226 8.380 8.941 381 HG1 THR 51 1HG THR 51 8.024 9.020 6.312 382 1HG2 THR 51 1HG2 THR 51 6.611 6.360 8.315 383 2HG2 THR 51 2HG2 THR 51 7.339 6.637 6.733 384 3HG2 THR 51 3HG2 THR 51 5.644 7.036 7.005 385 H PHE 52 H PHE 52 4.064 8.147 6.584 386 HA PHE 52 HA PHE 52 2.334 8.295 8.966 387 1HB PHE 52 2HB PHE 52 1.498 7.678 6.122 388 2HB PHE 52 1HB PHE 52 0.443 7.999 7.490 389 HD1 PHE 52 1HD PHE 52 -0.573 10.046 7.514 390 HD2 PHE 52 2HD PHE 52 3.268 9.691 5.713 391 HE1 PHE 52 1HE PHE 52 -0.654 12.423 6.875 392 HE2 PHE 52 2HE PHE 52 3.194 12.068 5.082 393 HZ PHE 52 HZ PHE 52 1.234 13.434 5.664 394 H THR 53 H THR 53 1.402 6.340 9.738 395 HA THR 53 HA THR 53 2.447 3.908 8.456 396 HB THR 53 HB THR 53 2.269 2.940 10.868 397 HG1 THR 53 1HG THR 53 2.768 5.654 11.474 398 1HG2 THR 53 1HG2 THR 53 4.466 4.616 9.765 399 2HG2 THR 53 2HG2 THR 53 4.388 2.869 10.012 400 3HG2 THR 53 3HG2 THR 53 4.592 3.951 11.394 401 H VAL 54 H VAL 54 0.775 3.150 7.389 402 HA VAL 54 HA VAL 54 -1.899 3.163 8.492 403 HB VAL 54 HB VAL 54 -0.847 1.903 5.949 404 1HG1 VAL 54 1HG1 VAL 54 -2.948 0.907 6.823 405 2HG1 VAL 54 2HG1 VAL 54 -3.135 1.694 5.257 406 3HG1 VAL 54 3HG1 VAL 54 -3.698 2.496 6.721 407 1HG2 VAL 54 1HG2 VAL 54 -1.061 3.872 4.906 408 2HG2 VAL 54 2HG2 VAL 54 -1.039 4.579 6.522 409 3HG2 VAL 54 3HG2 VAL 54 -2.576 4.243 5.727 410 H THR 55 H THR 55 -2.529 1.657 9.907 411 HA THR 55 HA THR 55 -1.279 -0.996 9.735 412 HB THR 55 HB THR 55 -2.621 0.122 12.187 413 HG1 THR 55 1HG THR 55 -0.493 0.640 12.872 414 1HG2 THR 55 1HG2 THR 55 -1.329 -1.494 13.388 415 2HG2 THR 55 2HG2 THR 55 -0.490 -1.982 11.914 416 3HG2 THR 55 3HG2 THR 55 -2.213 -2.319 12.103 417 H GLU 56 H GLU 56 -2.510 -2.604 9.059 418 HA GLU 56 HA GLU 56 -5.340 -2.209 8.715 419 1HB GLU 56 2HB GLU 56 -5.333 -4.291 7.542 420 2HB GLU 56 1HB GLU 56 -3.880 -3.421 7.076 421 1HG GLU 56 2HG GLU 56 -2.944 -5.438 7.417 422 2HG GLU 56 1HG GLU 56 -2.869 -4.855 9.076 423 1H MET 1 1HT MET 1 6.104 18.688 -2.718 424 2H MET 1 2HT MET 1 5.793 19.614 -1.338 425 3H MET 1 3HT MET 1 4.993 18.143 -1.566 426 HA MET 1 HA MET 1 7.922 18.196 -1.452 427 1HB MET 1 2HB MET 1 7.092 19.501 0.477 428 2HB MET 1 1HB MET 1 6.069 18.150 0.941 429 1HG MET 1 2HG MET 1 7.881 16.838 1.588 430 2HG MET 1 1HG MET 1 9.034 17.831 0.698 431 1HE MET 1 1HE MET 1 6.419 17.761 3.421 432 2HE MET 1 2HE MET 1 6.226 19.501 3.215 433 3HE MET 1 3HE MET 1 6.996 18.865 4.668 434 H GLN 2 H GLN 2 8.672 16.140 -0.433 435 HA GLN 2 HA GLN 2 7.039 13.928 -1.418 436 1HB GLN 2 2HB GLN 2 9.381 14.143 -2.203 437 2HB GLN 2 1HB GLN 2 9.935 13.978 -0.544 438 1HG GLN 2 2HG GLN 2 10.220 11.884 -1.600 439 2HG GLN 2 1HG GLN 2 8.871 11.731 -0.481 440 1HE2 GLN 2 1HE2 GLN 2 7.837 13.502 -3.114 441 2HE2 GLN 2 2HE2 GLN 2 7.143 12.221 -4.034 442 H TYR 3 H TYR 3 6.116 12.468 -0.116 443 HA TYR 3 HA TYR 3 6.884 12.455 2.729 444 1HB TYR 3 2HB TYR 3 4.108 12.209 1.554 445 2HB TYR 3 1HB TYR 3 4.499 11.927 3.247 446 HD1 TYR 3 1HD TYR 3 4.530 13.705 4.766 447 HD2 TYR 3 2HD TYR 3 4.611 14.531 0.592 448 HE1 TYR 3 1HE TYR 3 4.226 16.097 5.238 449 HE2 TYR 3 2HE TYR 3 4.311 16.929 1.054 450 HH TYR 3 HH TYR 3 4.511 18.222 4.266 451 H LYS 4 H LYS 4 7.078 10.479 3.716 452 HA LYS 4 HA LYS 4 6.898 8.156 1.920 453 1HB LYS 4 2HB LYS 4 9.129 8.592 2.813 454 2HB LYS 4 1HB LYS 4 8.501 8.535 4.454 455 1HG LYS 4 2HG LYS 4 7.920 6.185 4.162 456 2HG LYS 4 1HG LYS 4 8.533 6.238 2.507 457 1HD LYS 4 2HD LYS 4 10.156 6.745 5.002 458 2HD LYS 4 1HD LYS 4 10.165 5.257 4.054 459 1HE LYS 4 2HE LYS 4 10.978 6.517 2.109 460 2HE LYS 4 1HE LYS 4 10.994 7.990 3.080 461 1HZ LYS 4 1HZ LYS 4 12.507 6.570 4.619 462 2HZ LYS 4 2HZ LYS 4 13.159 7.303 3.241 463 3HZ LYS 4 3HZ LYS 4 12.773 5.656 3.220 464 H VAL 5 H VAL 5 5.100 7.009 2.171 465 HA VAL 5 HA VAL 5 3.833 6.905 4.807 466 HB VAL 5 HB VAL 5 2.765 5.965 2.137 467 1HG1 VAL 5 1HG1 VAL 5 1.832 5.631 4.879 468 2HG1 VAL 5 2HG1 VAL 5 1.333 4.804 3.403 469 3HG1 VAL 5 3HG1 VAL 5 0.626 6.365 3.821 470 1HG2 VAL 5 1HG2 VAL 5 2.557 8.177 1.790 471 2HG2 VAL 5 2HG2 VAL 5 2.748 8.568 3.500 472 3HG2 VAL 5 3HG2 VAL 5 1.183 8.034 2.887 473 H ILE 6 H ILE 6 3.664 5.094 5.971 474 HA ILE 6 HA ILE 6 5.003 2.688 4.939 475 HB ILE 6 HB ILE 6 4.649 3.656 7.779 476 1HG1 ILE 6 2HG1 ILE 6 7.126 3.246 6.090 477 2HG1 ILE 6 1HG1 ILE 6 6.402 4.800 6.481 478 1HG2 ILE 6 1HG2 ILE 6 4.646 1.467 8.279 479 2HG2 ILE 6 2HG2 ILE 6 6.378 1.585 7.966 480 3HG2 ILE 6 3HG2 ILE 6 5.292 1.000 6.705 481 1HD1 ILE 6 1HD1 ILE 6 7.984 2.961 8.183 482 2HD1 ILE 6 2HD1 ILE 6 6.747 3.957 8.948 483 3HD1 ILE 6 3HD1 ILE 6 8.055 4.716 8.041 484 H LEU 7 H LEU 7 3.807 0.936 4.608 485 HA LEU 7 HA LEU 7 1.084 0.883 5.701 486 1HB LEU 7 2HB LEU 7 2.107 -0.918 3.523 487 2HB LEU 7 1HB LEU 7 0.456 -0.419 3.851 488 HG LEU 7 HG LEU 7 2.647 1.270 2.665 489 1HD1 LEU 7 1HD1 LEU 7 1.608 -0.338 1.139 490 2HD1 LEU 7 2HD1 LEU 7 1.214 1.326 0.710 491 3HD1 LEU 7 3HD1 LEU 7 0.020 0.320 1.534 492 1HD2 LEU 7 1HD2 LEU 7 -0.176 2.049 3.392 493 2HD2 LEU 7 2HD2 LEU 7 0.993 3.055 2.533 494 3HD2 LEU 7 3HD2 LEU 7 1.290 2.592 4.207 495 H ASN 8 H ASN 8 1.506 0.064 7.726 496 HA ASN 8 HA ASN 8 2.883 -2.513 7.929 497 1HB ASN 8 2HB ASN 8 2.061 -0.484 10.000 498 2HB ASN 8 1HB ASN 8 2.671 -2.078 10.427 499 1HD2 ASN 8 1HD2 ASN 8 4.252 -1.351 7.669 500 2HD2 ASN 8 2HD2 ASN 8 5.657 -0.600 8.325 501 H GLY 9 H GLY 9 1.579 -4.213 7.565 502 1HA GLY 9 2HA GLY 9 -1.073 -4.179 8.859 503 2HA GLY 9 1HA GLY 9 -0.697 -5.092 7.407 504 H LYS 10 H LYS 10 -1.749 -6.769 8.862 505 HA LYS 10 HA LYS 10 -0.164 -7.803 11.013 506 1HB LYS 10 2HB LYS 10 -2.508 -9.005 9.528 507 2HB LYS 10 1HB LYS 10 -1.788 -9.682 10.982 508 1HG LYS 10 2HG LYS 10 -2.411 -7.687 12.234 509 2HG LYS 10 1HG LYS 10 -3.107 -6.981 10.774 510 1HD LYS 10 2HD LYS 10 -4.713 -8.829 10.654 511 2HD LYS 10 1HD LYS 10 -4.016 -9.527 12.116 512 1HE LYS 10 2HE LYS 10 -5.345 -6.826 11.904 513 2HE LYS 10 1HE LYS 10 -6.066 -8.279 12.598 514 1HZ LYS 10 1HZ LYS 10 -5.266 -7.408 14.494 515 2HZ LYS 10 2HZ LYS 10 -4.089 -6.475 13.719 516 3HZ LYS 10 3HZ LYS 10 -3.812 -8.119 14.003 517 H THR 11 H THR 11 -1.043 -9.069 7.797 518 HA THR 11 HA THR 11 1.298 -10.830 7.896 519 HB THR 11 HB THR 11 0.043 -11.903 5.910 520 HG1 THR 11 1HG THR 11 -1.482 -9.920 6.078 521 1HG2 THR 11 1HG2 THR 11 -0.184 -13.377 7.569 522 2HG2 THR 11 2HG2 THR 11 -1.813 -12.715 7.707 523 3HG2 THR 11 3HG2 THR 11 -0.531 -12.124 8.763 524 H LEU 12 H LEU 12 0.666 -7.853 6.864 525 HA LEU 12 HA LEU 12 2.435 -8.137 4.551 526 1HB LEU 12 2HB LEU 12 0.185 -8.006 3.661 527 2HB LEU 12 1HB LEU 12 -0.138 -6.567 4.604 528 HG LEU 12 HG LEU 12 1.392 -5.278 3.280 529 1HD1 LEU 12 1HD1 LEU 12 3.186 -6.343 2.509 530 2HD1 LEU 12 2HD1 LEU 12 2.167 -6.872 1.169 531 3HD1 LEU 12 3HD1 LEU 12 2.383 -7.907 2.577 532 1HD2 LEU 12 1HD2 LEU 12 -0.975 -6.317 2.357 533 2HD2 LEU 12 2HD2 LEU 12 0.141 -6.638 1.029 534 3HD2 LEU 12 3HD2 LEU 12 -0.073 -4.991 1.623 535 H LYS 13 H LYS 13 3.940 -6.576 4.329 536 HA LYS 13 HA LYS 13 3.723 -4.115 5.889 537 1HB LYS 13 2HB LYS 13 6.071 -6.008 6.128 538 2HB LYS 13 1HB LYS 13 5.976 -4.403 6.838 539 1HG LYS 13 2HG LYS 13 4.183 -5.086 8.282 540 2HG LYS 13 1HG LYS 13 4.096 -6.660 7.491 541 1HD LYS 13 2HD LYS 13 5.267 -6.866 9.597 542 2HD LYS 13 1HD LYS 13 6.390 -7.143 8.265 543 1HE LYS 13 2HE LYS 13 6.086 -4.482 9.641 544 2HE LYS 13 1HE LYS 13 7.242 -5.706 10.159 545 1HZ LYS 13 1HZ LYS 13 7.664 -5.448 7.466 546 2HZ LYS 13 2HZ LYS 13 8.627 -4.804 8.698 547 3HZ LYS 13 3HZ LYS 13 7.416 -3.859 7.995 548 H GLY 14 H GLY 14 4.908 -2.388 5.026 549 1HA GLY 14 2HA GLY 14 6.916 -2.714 3.049 550 2HA GLY 14 1HA GLY 14 5.366 -2.407 2.282 551 H GLU 15 H GLU 15 6.950 -0.595 1.580 552 HA GLU 15 HA GLU 15 6.293 1.744 3.213 553 1HB GLU 15 2HB GLU 15 9.022 1.283 1.991 554 2HB GLU 15 1HB GLU 15 8.513 2.704 2.891 555 1HG GLU 15 2HG GLU 15 9.628 1.614 4.531 556 2HG GLU 15 1HG GLU 15 8.033 0.903 4.763 557 H THR 16 H THR 16 5.736 3.528 2.065 558 HA THR 16 HA THR 16 6.127 3.500 -0.834 559 HB THR 16 HB THR 16 3.966 2.674 -0.835 560 HG1 THR 16 1HG THR 16 3.487 5.436 -0.632 561 1HG2 THR 16 1HG2 THR 16 3.332 2.574 1.406 562 2HG2 THR 16 2HG2 THR 16 2.154 3.648 0.651 563 3HG2 THR 16 3HG2 THR 16 3.470 4.317 1.613 564 H THR 17 H THR 17 5.515 5.660 -1.823 565 HA THR 17 HA THR 17 5.799 7.892 0.040 566 HB THR 17 HB THR 17 7.607 8.871 -1.359 567 HG1 THR 17 1HG THR 17 7.778 6.282 -2.490 568 1HG2 THR 17 1HG2 THR 17 8.143 6.239 -0.026 569 2HG2 THR 17 2HG2 THR 17 8.383 7.864 0.618 570 3HG2 THR 17 3HG2 THR 17 9.421 7.265 -0.676 571 H THR 18 H THR 18 4.396 9.423 -0.433 572 HA THR 18 HA THR 18 3.355 9.645 -3.188 573 HB THR 18 HB THR 18 1.688 9.164 -1.414 574 HG1 THR 18 1HG THR 18 1.166 10.462 -3.269 575 1HG2 THR 18 1HG2 THR 18 1.046 11.050 0.097 576 2HG2 THR 18 2HG2 THR 18 2.599 11.792 -0.284 577 3HG2 THR 18 3HG2 THR 18 2.545 10.223 0.520 578 H GLU 19 H GLU 19 3.417 11.581 -4.249 579 HA GLU 19 HA GLU 19 5.112 13.677 -3.065 580 1HB GLU 19 2HB GLU 19 5.764 12.728 -5.272 581 2HB GLU 19 1HB GLU 19 4.231 13.269 -5.939 582 1HG GLU 19 2HG GLU 19 5.894 14.828 -6.588 583 2HG GLU 19 1HG GLU 19 4.887 15.602 -5.366 584 H ALA 20 H ALA 20 3.902 15.204 -2.010 585 HA ALA 20 HA ALA 20 1.683 16.395 -3.487 586 1HB ALA 20 1HB ALA 20 1.037 14.543 -1.711 587 2HB ALA 20 2HB ALA 20 0.062 15.994 -1.943 588 3HB ALA 20 3HB ALA 20 1.204 15.904 -0.603 589 H VAL 21 H VAL 21 1.214 18.500 -2.956 590 HA VAL 21 HA VAL 21 3.272 20.204 -2.334 591 HB VAL 21 HB VAL 21 0.369 20.809 -1.783 592 1HG1 VAL 21 1HG1 VAL 21 2.566 22.669 -2.663 593 2HG1 VAL 21 2HG1 VAL 21 2.095 22.439 -0.979 594 3HG1 VAL 21 3HG1 VAL 21 0.937 23.093 -2.136 595 1HG2 VAL 21 1HG2 VAL 21 0.517 21.741 -4.178 596 2HG2 VAL 21 2HG2 VAL 21 0.330 19.999 -3.963 597 3HG2 VAL 21 3HG2 VAL 21 1.914 20.676 -4.346 598 H ASP 22 H ASP 22 1.206 18.505 -0.117 599 HA ASP 22 HA ASP 22 2.885 19.301 2.083 600 1HB ASP 22 2HB ASP 22 1.133 20.252 3.493 601 2HB ASP 22 1HB ASP 22 1.330 21.199 2.022 602 H ALA 23 H ALA 23 1.888 18.370 4.228 603 HA ALA 23 HA ALA 23 1.825 15.602 3.957 604 1HB ALA 23 1HB ALA 23 1.395 17.517 6.151 605 2HB ALA 23 2HB ALA 23 2.415 16.080 6.079 606 3HB ALA 23 3HB ALA 23 0.686 15.918 6.382 607 H ALA 24 H ALA 24 -0.851 17.883 4.336 608 HA ALA 24 HA ALA 24 -2.892 15.957 4.572 609 1HB ALA 24 1HB ALA 24 -4.201 18.010 3.405 610 2HB ALA 24 2HB ALA 24 -2.758 18.846 3.977 611 3HB ALA 24 3HB ALA 24 -3.777 17.969 5.117 612 H THR 25 H THR 25 -1.808 17.795 1.702 613 HA THR 25 HA THR 25 -3.405 16.554 -0.185 614 HB THR 25 HB THR 25 -1.568 17.128 -1.802 615 HG1 THR 25 1HG THR 25 -0.203 17.515 0.587 616 1HG2 THR 25 1HG2 THR 25 -2.766 19.080 0.043 617 2HG2 THR 25 2HG2 THR 25 -2.841 18.978 -1.716 618 3HG2 THR 25 3HG2 THR 25 -1.407 19.639 -0.931 619 H ALA 26 H ALA 26 -0.213 15.599 1.057 620 HA ALA 26 HA ALA 26 0.102 13.285 -0.511 621 1HB ALA 26 1HB ALA 26 1.298 14.368 1.955 622 2HB ALA 26 2HB ALA 26 2.071 13.652 0.541 623 3HB ALA 26 3HB ALA 26 1.376 12.614 1.786 624 H GLU 27 H GLU 27 -1.078 13.664 2.835 625 HA GLU 27 HA GLU 27 -1.888 11.123 3.395 626 1HB GLU 27 2HB GLU 27 -1.943 12.987 4.984 627 2HB GLU 27 1HB GLU 27 -3.283 13.706 4.101 628 1HG GLU 27 2HG GLU 27 -4.672 11.777 4.645 629 2HG GLU 27 1HG GLU 27 -3.329 11.067 5.539 630 H LYS 28 H LYS 28 -3.782 13.655 1.768 631 HA LYS 28 HA LYS 28 -6.110 12.144 1.355 632 1HB LYS 28 2HB LYS 28 -4.972 14.444 -0.244 633 2HB LYS 28 1HB LYS 28 -6.591 13.793 -0.461 634 1HG LYS 28 2HG LYS 28 -5.503 15.100 2.022 635 2HG LYS 28 1HG LYS 28 -6.675 15.783 0.893 636 1HD LYS 28 2HD LYS 28 -8.235 13.968 1.436 637 2HD LYS 28 1HD LYS 28 -7.067 13.320 2.589 638 1HE LYS 28 2HE LYS 28 -8.780 14.637 3.722 639 2HE LYS 28 1HE LYS 28 -7.192 15.385 3.886 640 1HZ LYS 28 1HZ LYS 28 -9.455 16.625 3.030 641 2HZ LYS 28 2HZ LYS 28 -8.623 16.322 1.588 642 3HZ LYS 28 3HZ LYS 28 -7.876 17.200 2.824 643 H VAL 29 H VAL 29 -3.237 12.604 -0.651 644 HA VAL 29 HA VAL 29 -4.053 11.247 -2.930 645 HB VAL 29 HB VAL 29 -1.296 11.383 -1.697 646 1HG1 VAL 29 1HG1 VAL 29 -2.230 10.345 -4.349 647 2HG1 VAL 29 2HG1 VAL 29 -1.141 9.593 -3.183 648 3HG1 VAL 29 3HG1 VAL 29 -0.597 10.977 -4.132 649 1HG2 VAL 29 1HG2 VAL 29 -2.818 13.417 -2.719 650 2HG2 VAL 29 2HG2 VAL 29 -1.851 12.930 -4.110 651 3HG2 VAL 29 3HG2 VAL 29 -1.058 13.411 -2.609 652 H VAL 30 H VAL 30 -2.693 10.011 0.074 653 HA VAL 30 HA VAL 30 -2.402 7.330 -0.749 654 HB VAL 30 HB VAL 30 -3.029 8.296 2.041 655 1HG1 VAL 30 1HG1 VAL 30 -3.144 5.818 1.477 656 2HG1 VAL 30 2HG1 VAL 30 -2.096 6.283 2.817 657 3HG1 VAL 30 3HG1 VAL 30 -1.398 5.906 1.241 658 1HG2 VAL 30 1HG2 VAL 30 -0.934 9.062 2.310 659 2HG2 VAL 30 2HG2 VAL 30 -0.930 9.176 0.549 660 3HG2 VAL 30 3HG2 VAL 30 -0.233 7.765 1.342 661 H LYS 31 H LYS 31 -5.094 9.048 0.886 662 HA LYS 31 HA LYS 31 -6.845 6.952 1.225 663 1HB LYS 31 2HB LYS 31 -7.307 9.845 0.653 664 2HB LYS 31 1HB LYS 31 -8.672 8.740 0.660 665 1HG LYS 31 2HG LYS 31 -8.416 9.861 2.794 666 2HG LYS 31 1HG LYS 31 -8.193 8.123 2.951 667 1HD LYS 31 2HD LYS 31 -5.737 8.497 2.937 668 2HD LYS 31 1HD LYS 31 -6.046 10.239 2.928 669 1HE LYS 31 2HE LYS 31 -7.369 9.955 5.012 670 2HE LYS 31 1HE LYS 31 -6.896 8.259 5.041 671 1HZ LYS 31 1HZ LYS 31 -5.136 8.904 6.190 672 2HZ LYS 31 2HZ LYS 31 -5.467 10.538 5.931 673 3HZ LYS 31 3HZ LYS 31 -4.549 9.674 4.800 674 H GLN 32 H GLN 32 -6.505 8.970 -1.684 675 HA GLN 32 HA GLN 32 -8.436 7.562 -3.193 676 1HB GLN 32 2HB GLN 32 -7.573 9.817 -3.793 677 2HB GLN 32 1HB GLN 32 -6.024 9.094 -4.196 678 1HG GLN 32 2HG GLN 32 -7.240 9.485 -6.210 679 2HG GLN 32 1HG GLN 32 -7.140 7.750 -5.936 680 1HE2 GLN 32 1HE2 GLN 32 -9.360 9.133 -3.813 681 2HE2 GLN 32 2HE2 GLN 32 -10.796 8.797 -4.704 682 H PHE 33 H PHE 33 -4.984 7.205 -2.748 683 HA PHE 33 HA PHE 33 -4.372 5.306 -4.663 684 1HB PHE 33 2HB PHE 33 -2.784 6.529 -3.136 685 2HB PHE 33 1HB PHE 33 -3.245 5.412 -1.857 686 HD1 PHE 33 1HD PHE 33 -1.668 5.662 -5.173 687 HD2 PHE 33 2HD PHE 33 -2.249 3.267 -1.692 688 HE1 PHE 33 1HE PHE 33 0.067 4.102 -5.946 689 HE2 PHE 33 2HE PHE 33 -0.513 1.711 -2.476 690 HZ PHE 33 HZ PHE 33 0.642 2.137 -4.610 691 H PHE 34 H PHE 34 -5.231 4.716 -1.279 692 HA PHE 34 HA PHE 34 -5.551 1.889 -1.695 693 1HB PHE 34 2HB PHE 34 -6.209 3.613 0.692 694 2HB PHE 34 1HB PHE 34 -6.308 1.851 0.669 695 HD1 PHE 34 1HD PHE 34 -3.987 1.071 -0.846 696 HD2 PHE 34 2HD PHE 34 -4.403 4.148 2.062 697 HE1 PHE 34 1HE PHE 34 -1.584 0.934 -0.367 698 HE2 PHE 34 2HE PHE 34 -1.993 4.010 2.551 699 HZ PHE 34 HZ PHE 34 -0.589 2.404 1.321 700 H ASN 35 H ASN 35 -7.747 4.622 -1.377 701 HA ASN 35 HA ASN 35 -10.181 3.330 -1.165 702 1HB ASN 35 2HB ASN 35 -10.019 5.752 -1.117 703 2HB ASN 35 1HB ASN 35 -9.456 5.786 -2.785 704 1HD2 ASN 35 1HD2 ASN 35 -11.984 6.476 -0.979 705 2HD2 ASN 35 2HD2 ASN 35 -13.279 6.164 -2.075 706 H ASP 36 H ASP 36 -8.142 3.840 -3.954 707 HA ASP 36 HA ASP 36 -10.016 2.463 -5.718 708 1HB ASP 36 2HB ASP 36 -7.400 3.843 -6.347 709 2HB ASP 36 1HB ASP 36 -8.488 3.141 -7.539 710 H ASN 37 H ASN 37 -7.011 1.803 -4.057 711 HA ASN 37 HA ASN 37 -6.359 -0.445 -5.755 712 1HB ASN 37 2HB ASN 37 -5.271 0.402 -3.058 713 2HB ASN 37 1HB ASN 37 -4.691 -0.997 -3.953 714 1HD2 ASN 37 1HD2 ASN 37 -3.460 1.610 -3.095 715 2HD2 ASN 37 2HD2 ASN 37 -2.748 2.238 -4.541 716 H GLY 38 H GLY 38 -7.673 0.096 -2.547 717 1HA GLY 38 2HA GLY 38 -8.196 -1.807 -1.077 718 2HA GLY 38 1HA GLY 38 -9.624 -1.169 -1.857 719 H VAL 39 H VAL 39 -10.931 -2.644 -2.539 720 HA VAL 39 HA VAL 39 -10.090 -5.366 -2.774 721 HB VAL 39 HB VAL 39 -12.796 -4.116 -3.129 722 1HG1 VAL 39 1HG1 VAL 39 -13.172 -6.082 -4.222 723 2HG1 VAL 39 2HG1 VAL 39 -13.384 -6.648 -2.566 724 3HG1 VAL 39 3HG1 VAL 39 -11.854 -6.916 -3.402 725 1HG2 VAL 39 1HG2 VAL 39 -12.054 -3.852 -0.892 726 2HG2 VAL 39 2HG2 VAL 39 -11.445 -5.505 -0.830 727 3HG2 VAL 39 3HG2 VAL 39 -13.182 -5.207 -0.899 728 H ASP 40 H ASP 40 -11.763 -3.241 -5.158 729 HA ASP 40 HA ASP 40 -11.163 -5.243 -7.179 730 1HB ASP 40 2HB ASP 40 -12.852 -2.745 -7.313 731 2HB ASP 40 1HB ASP 40 -12.673 -3.915 -8.617 732 H GLY 41 H GLY 41 -8.981 -3.500 -6.147 733 1HA GLY 41 2HA GLY 41 -8.378 -1.531 -8.095 734 2HA GLY 41 1HA GLY 41 -7.226 -2.270 -6.994 735 H GLU 42 H GLU 42 -7.063 -1.570 -9.895 736 HA GLU 42 HA GLU 42 -6.965 -4.047 -11.343 737 1HB GLU 42 2HB GLU 42 -5.781 -1.343 -12.011 738 2HB GLU 42 1HB GLU 42 -5.894 -2.704 -13.119 739 1HG GLU 42 2HG GLU 42 -8.217 -1.252 -11.868 740 2HG GLU 42 1HG GLU 42 -7.647 -1.069 -13.527 741 H TRP 43 H TRP 43 -5.580 -5.488 -10.361 742 HA TRP 43 HA TRP 43 -2.797 -4.612 -9.959 743 1HB TRP 43 2HB TRP 43 -4.096 -7.116 -8.893 744 2HB TRP 43 1HB TRP 43 -2.532 -6.460 -8.445 745 HD1 TRP 43 HD TRP 43 -4.985 -3.686 -8.510 746 HE1 TRP 43 1HE TRP 43 -5.800 -3.161 -6.141 747 HE3 TRP 43 3HE TRP 43 -3.177 -7.809 -6.133 748 HZ2 TRP 43 2HZ TRP 43 -5.690 -4.352 -3.571 749 HZ3 TRP 43 3HZ TRP 43 -3.561 -8.052 -3.727 750 HH2 TRP 43 HH TRP 43 -4.797 -6.356 -2.464 751 H THR 44 H THR 44 -1.187 -5.451 -11.134 752 HA THR 44 HA THR 44 -1.802 -7.712 -12.915 753 HB THR 44 HB THR 44 0.151 -6.937 -14.249 754 HG1 THR 44 1HG THR 44 1.105 -5.807 -12.385 755 1HG2 THR 44 1HG2 THR 44 -1.688 -4.605 -13.858 756 2HG2 THR 44 2HG2 THR 44 -2.189 -6.078 -14.687 757 3HG2 THR 44 3HG2 THR 44 -0.853 -5.118 -15.325 758 H TYR 45 H TYR 45 -0.516 -9.558 -12.811 759 HA TYR 45 HA TYR 45 1.412 -9.588 -10.584 760 1HB TYR 45 2HB TYR 45 -0.560 -11.024 -10.259 761 2HB TYR 45 1HB TYR 45 -0.176 -11.885 -11.745 762 HD1 TYR 45 1HD TYR 45 2.223 -10.769 -9.141 763 HD2 TYR 45 2HD TYR 45 0.201 -14.061 -10.927 764 HE1 TYR 45 1HE TYR 45 3.637 -12.325 -7.865 765 HE2 TYR 45 2HE TYR 45 1.611 -15.624 -9.656 766 HH TYR 45 HH TYR 45 3.724 -15.694 -8.520 767 H ASP 46 H ASP 46 3.435 -10.386 -10.841 768 HA ASP 46 HA ASP 46 4.180 -11.333 -13.529 769 1HB ASP 46 2HB ASP 46 5.000 -9.038 -13.170 770 2HB ASP 46 1HB ASP 46 5.817 -9.558 -11.700 771 H ASP 47 H ASP 47 3.883 -13.482 -12.695 772 HA ASP 47 HA ASP 47 4.980 -14.595 -10.438 773 1HB ASP 47 2HB ASP 47 4.747 -15.872 -13.172 774 2HB ASP 47 1HB ASP 47 4.980 -16.745 -11.660 775 H ALA 48 H ALA 48 6.582 -13.870 -13.484 776 HA ALA 48 HA ALA 48 8.943 -15.276 -13.181 777 1HB ALA 48 1HB ALA 48 8.078 -13.785 -15.124 778 2HB ALA 48 2HB ALA 48 9.814 -13.967 -14.870 779 3HB ALA 48 3HB ALA 48 8.990 -12.512 -14.312 780 H THR 49 H THR 49 7.939 -12.298 -11.625 781 HA THR 49 HA THR 49 10.530 -12.224 -10.219 782 HB THR 49 HB THR 49 10.159 -9.825 -9.876 783 HG1 THR 49 1HG THR 49 7.752 -10.371 -11.240 784 1HG2 THR 49 1HG2 THR 49 10.898 -9.153 -11.893 785 2HG2 THR 49 2HG2 THR 49 9.637 -10.018 -12.770 786 3HG2 THR 49 3HG2 THR 49 11.043 -10.890 -12.156 787 H LYS 50 H LYS 50 7.621 -13.401 -9.709 788 HA LYS 50 HA LYS 50 6.240 -13.735 -7.888 789 1HB LYS 50 2HB LYS 50 8.929 -13.327 -6.574 790 2HB LYS 50 1HB LYS 50 7.505 -13.860 -5.697 791 1HG LYS 50 2HG LYS 50 8.573 -15.332 -8.084 792 2HG LYS 50 1HG LYS 50 9.129 -15.648 -6.440 793 1HD LYS 50 2HD LYS 50 6.289 -15.879 -7.439 794 2HD LYS 50 1HD LYS 50 7.379 -17.218 -7.073 795 1HE LYS 50 2HE LYS 50 6.238 -15.205 -5.143 796 2HE LYS 50 1HE LYS 50 5.895 -16.933 -5.217 797 1HZ LYS 50 1HZ LYS 50 7.434 -16.503 -3.451 798 2HZ LYS 50 2HZ LYS 50 8.484 -15.675 -4.487 799 3HZ LYS 50 3HZ LYS 50 8.248 -17.340 -4.676 800 H THR 51 H THR 51 6.285 -11.034 -8.873 801 HA THR 51 HA THR 51 5.649 -9.623 -6.377 802 HB THR 51 HB THR 51 7.146 -8.502 -8.750 803 HG1 THR 51 1HG THR 51 7.890 -9.161 -6.110 804 1HG2 THR 51 1HG2 THR 51 6.571 -6.467 -8.132 805 2HG2 THR 51 2HG2 THR 51 7.271 -6.762 -6.541 806 3HG2 THR 51 3HG2 THR 51 5.570 -7.119 -6.837 807 H PHE 52 H PHE 52 3.958 -8.194 -6.436 808 HA PHE 52 HA PHE 52 2.260 -8.298 -8.844 809 1HB PHE 52 2HB PHE 52 1.398 -7.660 -6.012 810 2HB PHE 52 1HB PHE 52 0.354 -7.956 -7.395 811 HD1 PHE 52 1HD PHE 52 -0.711 -9.977 -7.434 812 HD2 PHE 52 2HD PHE 52 3.111 -9.716 -5.578 813 HE1 PHE 52 1HE PHE 52 -0.858 -12.353 -6.796 814 HE2 PHE 52 2HE PHE 52 2.971 -12.090 -4.948 815 HZ PHE 52 HZ PHE 52 0.987 -13.409 -5.559 816 H THR 53 H THR 53 1.385 -6.321 -9.628 817 HA THR 53 HA THR 53 2.472 -3.915 -8.332 818 HB THR 53 HB THR 53 2.351 -2.944 -10.747 819 HG1 THR 53 1HG THR 53 2.792 -5.668 -11.344 820 1HG2 THR 53 1HG2 THR 53 4.490 -4.672 -9.613 821 2HG2 THR 53 2HG2 THR 53 4.457 -2.924 -9.860 822 3HG2 THR 53 3HG2 THR 53 4.655 -4.010 -11.240 823 H VAL 54 H VAL 54 0.803 -3.117 -7.289 824 HA VAL 54 HA VAL 54 -1.855 -3.064 -8.430 825 HB VAL 54 HB VAL 54 -0.808 -1.831 -5.872 826 1HG1 VAL 54 1HG1 VAL 54 -2.871 -0.784 -6.775 827 2HG1 VAL 54 2HG1 VAL 54 -3.100 -1.566 -5.212 828 3HG1 VAL 54 3HG1 VAL 54 -3.662 -2.354 -6.684 829 1HG2 VAL 54 1HG2 VAL 54 -1.086 -3.791 -4.833 830 2HG2 VAL 54 2HG2 VAL 54 -1.057 -4.501 -6.447 831 3HG2 VAL 54 3HG2 VAL 54 -2.597 -4.127 -5.675 832 H THR 55 H THR 55 -2.429 -1.544 -9.854 833 HA THR 55 HA THR 55 -1.117 1.078 -9.663 834 HB THR 55 HB THR 55 -2.452 -0.009 -12.134 835 HG1 THR 55 1HG THR 55 -0.326 -0.577 -12.789 836 1HG2 THR 55 1HG2 THR 55 -1.103 1.575 -13.316 837 2HG2 THR 55 2HG2 THR 55 -0.273 2.043 -11.829 838 3HG2 THR 55 3HG2 THR 55 -1.984 2.423 -12.044 839 H GLU 56 H GLU 56 -2.318 2.716 -9.005 840 HA GLU 56 HA GLU 56 -5.161 2.389 -8.701 841 1HB GLU 56 2HB GLU 56 -5.120 4.471 -7.525 842 2HB GLU 56 1HB GLU 56 -3.695 3.565 -7.039 843 1HG GLU 56 2HG GLU 56 -2.706 5.560 -7.366 844 2HG GLU 56 1HG GLU 56 -2.622 4.975 -9.025 Start of MODEL 3 1 1H MET 1 1HT MET 1 7.220 -18.098 3.402 2 2H MET 1 2HT MET 1 6.482 -19.295 2.463 3 3H MET 1 3HT MET 1 5.634 -17.886 2.852 4 HA MET 1 HA MET 1 8.148 -17.784 1.314 5 1HB MET 1 2HB MET 1 6.294 -19.330 0.356 6 2HB MET 1 1HB MET 1 5.408 -17.843 0.057 7 1HG MET 1 2HG MET 1 8.144 -18.469 -1.033 8 2HG MET 1 1HG MET 1 6.631 -18.665 -1.915 9 1HE MET 1 1HE MET 1 8.461 -17.568 -3.335 10 2HE MET 1 2HE MET 1 9.257 -16.059 -2.888 11 3HE MET 1 3HE MET 1 7.853 -16.034 -3.955 12 H GLN 2 H GLN 2 8.651 -15.719 0.756 13 HA GLN 2 HA GLN 2 6.807 -13.614 1.632 14 1HB GLN 2 2HB GLN 2 9.048 -13.552 2.625 15 2HB GLN 2 1HB GLN 2 9.767 -13.478 1.022 16 1HG GLN 2 2HG GLN 2 8.707 -11.322 0.634 17 2HG GLN 2 1HG GLN 2 7.952 -11.397 2.222 18 1HE2 GLN 2 1HE2 GLN 2 10.919 -12.764 2.611 19 2HE2 GLN 2 2HE2 GLN 2 11.817 -11.372 3.088 20 H TYR 3 H TYR 3 5.918 -12.216 0.228 21 HA TYR 3 HA TYR 3 6.760 -12.425 -2.589 22 1HB TYR 3 2HB TYR 3 4.006 -11.789 -1.510 23 2HB TYR 3 1HB TYR 3 4.450 -11.865 -3.214 24 HD1 TYR 3 1HD TYR 3 4.054 -13.840 -4.358 25 HD2 TYR 3 2HD TYR 3 4.571 -13.977 -0.137 26 HE1 TYR 3 1HE TYR 3 3.550 -16.247 -4.378 27 HE2 TYR 3 2HE TYR 3 4.072 -16.383 -0.148 28 HH TYR 3 HH TYR 3 4.234 -18.290 -1.883 29 H LYS 4 H LYS 4 6.920 -10.564 -3.818 30 HA LYS 4 HA LYS 4 7.207 -8.109 -2.246 31 1HB LYS 4 2HB LYS 4 9.154 -8.812 -3.549 32 2HB LYS 4 1HB LYS 4 8.191 -8.803 -5.020 33 1HG LYS 4 2HG LYS 4 7.859 -6.386 -4.775 34 2HG LYS 4 1HG LYS 4 8.864 -6.409 -3.324 35 1HD LYS 4 2HD LYS 4 10.758 -7.214 -4.646 36 2HD LYS 4 1HD LYS 4 9.752 -7.212 -6.096 37 1HE LYS 4 2HE LYS 4 9.432 -4.790 -5.853 38 2HE LYS 4 1HE LYS 4 10.470 -4.805 -4.427 39 1HZ LYS 4 1HZ LYS 4 12.333 -5.364 -5.721 40 2HZ LYS 4 2HZ LYS 4 11.551 -4.138 -6.584 41 3HZ LYS 4 3HZ LYS 4 11.396 -5.748 -7.077 42 H VAL 5 H VAL 5 5.398 -6.937 -2.180 43 HA VAL 5 HA VAL 5 3.687 -6.814 -4.551 44 HB VAL 5 HB VAL 5 3.161 -5.772 -1.761 45 1HG1 VAL 5 1HG1 VAL 5 1.953 -4.610 -3.612 46 2HG1 VAL 5 2HG1 VAL 5 0.899 -5.428 -2.460 47 3HG1 VAL 5 3HG1 VAL 5 1.218 -6.158 -4.033 48 1HG2 VAL 5 1HG2 VAL 5 1.398 -7.804 -2.173 49 2HG2 VAL 5 2HG2 VAL 5 2.918 -7.952 -1.292 50 3HG2 VAL 5 3HG2 VAL 5 2.836 -8.412 -2.992 51 H ILE 6 H ILE 6 3.880 -5.175 -5.903 52 HA ILE 6 HA ILE 6 5.225 -2.728 -5.015 53 HB ILE 6 HB ILE 6 4.680 -3.791 -7.790 54 1HG1 ILE 6 2HG1 ILE 6 7.248 -3.462 -6.224 55 2HG1 ILE 6 1HG1 ILE 6 6.447 -4.988 -6.589 56 1HG2 ILE 6 1HG2 ILE 6 6.531 -1.766 -8.035 57 2HG2 ILE 6 2HG2 ILE 6 5.368 -1.118 -6.879 58 3HG2 ILE 6 3HG2 ILE 6 4.821 -1.673 -8.461 59 1HD1 ILE 6 1HD1 ILE 6 7.980 -5.012 -8.243 60 2HD1 ILE 6 2HD1 ILE 6 8.105 -3.254 -8.304 61 3HD1 ILE 6 3HD1 ILE 6 6.741 -4.066 -9.071 62 H LEU 7 H LEU 7 3.977 -1.068 -4.487 63 HA LEU 7 HA LEU 7 1.263 -0.901 -5.577 64 1HB LEU 7 2HB LEU 7 2.396 0.886 -3.440 65 2HB LEU 7 1HB LEU 7 0.720 0.454 -3.735 66 HG LEU 7 HG LEU 7 2.857 -1.300 -2.552 67 1HD1 LEU 7 1HD1 LEU 7 0.254 -0.302 -1.412 68 2HD1 LEU 7 2HD1 LEU 7 1.843 0.371 -1.052 69 3HD1 LEU 7 3HD1 LEU 7 1.462 -1.286 -0.584 70 1HD2 LEU 7 1HD2 LEU 7 0.003 -2.014 -3.208 71 2HD2 LEU 7 2HD2 LEU 7 1.195 -3.052 -2.424 72 3HD2 LEU 7 3HD2 LEU 7 1.420 -2.563 -4.103 73 H ASN 8 H ASN 8 1.800 -0.166 -7.647 74 HA ASN 8 HA ASN 8 3.212 2.378 -7.889 75 1HB ASN 8 2HB ASN 8 3.792 0.380 -9.304 76 2HB ASN 8 1HB ASN 8 2.222 0.550 -10.079 77 1HD2 ASN 8 1HD2 ASN 8 5.284 1.020 -10.641 78 2HD2 ASN 8 2HD2 ASN 8 5.252 2.460 -11.598 79 H GLY 9 H GLY 9 1.926 4.128 -7.620 80 1HA GLY 9 2HA GLY 9 -0.683 4.109 -9.013 81 2HA GLY 9 1HA GLY 9 -0.379 4.997 -7.530 82 H LYS 10 H LYS 10 -1.316 6.738 -8.912 83 HA LYS 10 HA LYS 10 0.330 7.803 -11.012 84 1HB LYS 10 2HB LYS 10 -2.143 8.774 -9.604 85 2HB LYS 10 1HB LYS 10 -1.283 9.794 -10.744 86 1HG LYS 10 2HG LYS 10 -3.204 8.641 -11.748 87 2HG LYS 10 1HG LYS 10 -1.678 8.226 -12.526 88 1HD LYS 10 2HD LYS 10 -2.625 6.482 -10.316 89 2HD LYS 10 1HD LYS 10 -3.475 6.388 -11.858 90 1HE LYS 10 2HE LYS 10 -0.495 6.076 -11.508 91 2HE LYS 10 1HE LYS 10 -1.637 4.743 -11.658 92 1HZ LYS 10 1HZ LYS 10 -1.887 6.678 -13.761 93 2HZ LYS 10 2HZ LYS 10 -1.722 4.997 -13.855 94 3HZ LYS 10 3HZ LYS 10 -0.349 5.973 -13.708 95 H THR 11 H THR 11 -0.623 9.029 -7.793 96 HA THR 11 HA THR 11 1.738 10.759 -7.808 97 HB THR 11 HB THR 11 0.456 11.783 -5.809 98 HG1 THR 11 1HG THR 11 -1.844 11.436 -6.070 99 1HG2 THR 11 1HG2 THR 11 -0.537 12.007 -8.630 100 2HG2 THR 11 2HG2 THR 11 0.575 13.078 -7.778 101 3HG2 THR 11 3HG2 THR 11 -1.125 13.022 -7.315 102 H LEU 12 H LEU 12 1.035 7.765 -6.831 103 HA LEU 12 HA LEU 12 2.781 8.001 -4.497 104 1HB LEU 12 2HB LEU 12 0.515 7.869 -3.645 105 2HB LEU 12 1HB LEU 12 0.210 6.431 -4.600 106 HG LEU 12 HG LEU 12 1.727 5.144 -3.265 107 1HD1 LEU 12 1HD1 LEU 12 3.511 6.202 -2.466 108 2HD1 LEU 12 2HD1 LEU 12 2.476 6.739 -1.142 109 3HD1 LEU 12 3HD1 LEU 12 2.715 7.768 -2.551 110 1HD2 LEU 12 1HD2 LEU 12 -0.636 6.254 -2.324 111 2HD2 LEU 12 2HD2 LEU 12 0.499 6.432 -0.985 112 3HD2 LEU 12 3HD2 LEU 12 0.196 4.840 -1.679 113 H LYS 13 H LYS 13 4.274 6.460 -4.288 114 HA LYS 13 HA LYS 13 4.088 4.005 -5.853 115 1HB LYS 13 2HB LYS 13 6.530 5.779 -6.009 116 2HB LYS 13 1HB LYS 13 6.262 4.270 -6.868 117 1HG LYS 13 2HG LYS 13 5.818 5.783 -8.519 118 2HG LYS 13 1HG LYS 13 4.202 5.546 -7.854 119 1HD LYS 13 2HD LYS 13 4.571 7.899 -8.181 120 2HD LYS 13 1HD LYS 13 4.540 7.568 -6.450 121 1HE LYS 13 2HE LYS 13 6.974 7.603 -6.382 122 2HE LYS 13 1HE LYS 13 7.029 7.880 -8.123 123 1HZ LYS 13 1HZ LYS 13 5.521 9.748 -6.434 124 2HZ LYS 13 2HZ LYS 13 6.326 10.030 -7.894 125 3HZ LYS 13 3HZ LYS 13 7.209 9.859 -6.463 126 H GLY 14 H GLY 14 5.265 2.281 -4.964 127 1HA GLY 14 2HA GLY 14 7.239 2.608 -2.961 128 2HA GLY 14 1HA GLY 14 5.678 2.335 -2.206 129 H GLU 15 H GLU 15 7.085 0.497 -1.401 130 HA GLU 15 HA GLU 15 6.470 -1.855 -3.020 131 1HB GLU 15 2HB GLU 15 9.193 -1.336 -1.806 132 2HB GLU 15 1HB GLU 15 8.697 -2.816 -2.612 133 1HG GLU 15 2HG GLU 15 8.425 -1.611 -4.703 134 2HG GLU 15 1HG GLU 15 8.861 -0.101 -3.904 135 H THR 16 H THR 16 5.753 -3.530 -1.853 136 HA THR 16 HA THR 16 6.191 -3.539 1.038 137 HB THR 16 HB THR 16 4.083 -2.596 1.082 138 HG1 THR 16 1HG THR 16 3.434 -5.321 0.865 139 1HG2 THR 16 1HG2 THR 16 3.204 -2.352 -0.978 140 2HG2 THR 16 2HG2 THR 16 2.227 -3.717 -0.439 141 3HG2 THR 16 3HG2 THR 16 3.623 -3.987 -1.478 142 H THR 17 H THR 17 5.441 -5.673 2.038 143 HA THR 17 HA THR 17 5.639 -7.904 0.159 144 HB THR 17 HB THR 17 7.376 -8.981 1.582 145 HG1 THR 17 1HG THR 17 7.440 -6.422 2.791 146 1HG2 THR 17 1HG2 THR 17 9.268 -7.751 0.782 147 2HG2 THR 17 2HG2 THR 17 8.274 -6.320 0.511 148 3HG2 THR 17 3HG2 THR 17 8.023 -7.766 -0.466 149 H THR 18 H THR 18 4.165 -9.365 0.583 150 HA THR 18 HA THR 18 3.114 -9.654 3.336 151 HB THR 18 HB THR 18 1.468 -8.932 1.608 152 HG1 THR 18 1HG THR 18 0.859 -10.254 3.409 153 1HG2 THR 18 1HG2 THR 18 2.278 -11.488 0.291 154 2HG2 THR 18 2HG2 THR 18 2.043 -9.890 -0.416 155 3HG2 THR 18 3HG2 THR 18 0.649 -10.840 0.098 156 H GLU 19 H GLU 19 2.871 -11.764 4.180 157 HA GLU 19 HA GLU 19 4.439 -13.826 2.764 158 1HB GLU 19 2HB GLU 19 5.375 -13.152 4.928 159 2HB GLU 19 1HB GLU 19 3.852 -13.534 5.719 160 1HG GLU 19 2HG GLU 19 4.122 -15.883 5.118 161 2HG GLU 19 1HG GLU 19 5.645 -15.503 4.316 162 H ALA 20 H ALA 20 3.308 -15.473 1.917 163 HA ALA 20 HA ALA 20 1.009 -16.520 3.359 164 1HB ALA 20 1HB ALA 20 0.279 -14.679 1.731 165 2HB ALA 20 2HB ALA 20 -0.578 -16.221 1.684 166 3HB ALA 20 3HB ALA 20 0.641 -15.851 0.463 167 H VAL 21 H VAL 21 0.417 -18.602 2.793 168 HA VAL 21 HA VAL 21 2.403 -20.404 2.197 169 HB VAL 21 HB VAL 21 -0.520 -20.863 1.603 170 1HG1 VAL 21 1HG1 VAL 21 -0.081 -23.165 1.930 171 2HG1 VAL 21 2HG1 VAL 21 1.539 -22.843 2.547 172 3HG1 VAL 21 3HG1 VAL 21 1.174 -22.571 0.843 173 1HG2 VAL 21 1HG2 VAL 21 -0.598 -20.083 3.779 174 2HG2 VAL 21 2HG2 VAL 21 0.981 -20.753 4.188 175 3HG2 VAL 21 3HG2 VAL 21 -0.413 -21.822 4.012 176 H ASP 22 H ASP 22 0.423 -18.615 -0.030 177 HA ASP 22 HA ASP 22 2.075 -19.520 -2.226 178 1HB ASP 22 2HB ASP 22 0.249 -20.296 -3.643 179 2HB ASP 22 1HB ASP 22 0.331 -21.254 -2.168 180 H ALA 23 H ALA 23 1.171 -18.481 -4.368 181 HA ALA 23 HA ALA 23 1.334 -15.709 -4.041 182 1HB ALA 23 1HB ALA 23 0.046 -16.676 -6.510 183 2HB ALA 23 2HB ALA 23 1.630 -17.357 -6.142 184 3HB ALA 23 3HB ALA 23 1.435 -15.610 -6.293 185 H ALA 24 H ALA 24 -1.478 -17.784 -4.591 186 HA ALA 24 HA ALA 24 -3.372 -15.713 -4.849 187 1HB ALA 24 1HB ALA 24 -3.519 -18.617 -4.173 188 2HB ALA 24 2HB ALA 24 -4.233 -17.738 -5.524 189 3HB ALA 24 3HB ALA 24 -4.942 -17.607 -3.915 190 H THR 25 H THR 25 -2.572 -17.730 -2.012 191 HA THR 25 HA THR 25 -4.119 -16.451 -0.126 192 HB THR 25 HB THR 25 -2.400 -17.226 1.513 193 HG1 THR 25 1HG THR 25 -0.968 -17.664 -0.856 194 1HG2 THR 25 1HG2 THR 25 -2.318 -19.680 0.645 195 2HG2 THR 25 2HG2 THR 25 -3.441 -19.071 -0.571 196 3HG2 THR 25 3HG2 THR 25 -3.849 -18.958 1.141 197 H ALA 26 H ALA 26 -0.847 -15.687 -1.250 198 HA ALA 26 HA ALA 26 -0.394 -13.453 0.393 199 1HB ALA 26 1HB ALA 26 1.185 -12.757 -1.478 200 2HB ALA 26 2HB ALA 26 0.668 -14.219 -2.318 201 3HB ALA 26 3HB ALA 26 1.473 -14.340 -0.754 202 H GLU 27 H GLU 27 -1.593 -13.655 -2.967 203 HA GLU 27 HA GLU 27 -2.140 -11.013 -3.443 204 1HB GLU 27 2HB GLU 27 -2.355 -12.791 -5.124 205 2HB GLU 27 1HB GLU 27 -3.772 -13.413 -4.289 206 1HG GLU 27 2HG GLU 27 -4.428 -12.130 -6.224 207 2HG GLU 27 1HG GLU 27 -4.956 -11.325 -4.747 208 H LYS 28 H LYS 28 -4.245 -13.427 -1.910 209 HA LYS 28 HA LYS 28 -6.428 -11.709 -1.462 210 1HB LYS 28 2HB LYS 28 -5.578 -14.167 0.084 211 2HB LYS 28 1HB LYS 28 -7.154 -13.392 0.196 212 1HG LYS 28 2HG LYS 28 -5.977 -14.739 -2.225 213 2HG LYS 28 1HG LYS 28 -7.312 -15.320 -1.226 214 1HD LYS 28 2HD LYS 28 -8.637 -13.365 -1.871 215 2HD LYS 28 1HD LYS 28 -7.303 -12.794 -2.876 216 1HE LYS 28 2HE LYS 28 -7.473 -14.818 -4.244 217 2HE LYS 28 1HE LYS 28 -8.806 -15.385 -3.240 218 1HZ LYS 28 1HZ LYS 28 -10.085 -13.441 -3.920 219 2HZ LYS 28 2HZ LYS 28 -9.623 -14.364 -5.260 220 3HZ LYS 28 3HZ LYS 28 -8.809 -12.925 -4.904 221 H VAL 29 H VAL 29 -3.662 -12.599 0.570 222 HA VAL 29 HA VAL 29 -4.361 -11.225 2.881 223 HB VAL 29 HB VAL 29 -1.596 -11.638 1.728 224 1HG1 VAL 29 1HG1 VAL 29 -2.552 -10.570 4.337 225 2HG1 VAL 29 2HG1 VAL 29 -1.181 -10.071 3.347 226 3HG1 VAL 29 3HG1 VAL 29 -1.086 -11.549 4.302 227 1HG2 VAL 29 1HG2 VAL 29 -3.404 -13.541 2.554 228 2HG2 VAL 29 2HG2 VAL 29 -2.406 -13.291 3.985 229 3HG2 VAL 29 3HG2 VAL 29 -1.655 -13.748 2.457 230 H VAL 30 H VAL 30 -2.703 -10.104 -0.022 231 HA VAL 30 HA VAL 30 -2.166 -7.480 0.894 232 HB VAL 30 HB VAL 30 -2.589 -8.434 -1.947 233 1HG1 VAL 30 1HG1 VAL 30 -1.687 -6.461 -2.709 234 2HG1 VAL 30 2HG1 VAL 30 -0.845 -6.136 -1.195 235 3HG1 VAL 30 3HG1 VAL 30 -2.587 -5.891 -1.304 236 1HG2 VAL 30 1HG2 VAL 30 -0.787 -9.538 -0.431 237 2HG2 VAL 30 2HG2 VAL 30 0.086 -8.027 -0.682 238 3HG2 VAL 30 3HG2 VAL 30 -0.361 -9.027 -2.064 239 H LYS 31 H LYS 31 -4.813 -8.866 -1.067 240 HA LYS 31 HA LYS 31 -6.277 -6.556 -1.475 241 1HB LYS 31 2HB LYS 31 -7.094 -9.430 -1.212 242 2HB LYS 31 1HB LYS 31 -8.300 -8.171 -1.448 243 1HG LYS 31 2HG LYS 31 -7.162 -7.489 -3.510 244 2HG LYS 31 1HG LYS 31 -5.997 -8.793 -3.282 245 1HD LYS 31 2HD LYS 31 -7.728 -10.448 -3.507 246 2HD LYS 31 1HD LYS 31 -8.974 -9.197 -3.545 247 1HE LYS 31 2HE LYS 31 -8.552 -9.981 -5.789 248 2HE LYS 31 1HE LYS 31 -7.981 -8.319 -5.627 249 1HZ LYS 31 1HZ LYS 31 -6.438 -10.789 -5.948 250 2HZ LYS 31 2HZ LYS 31 -5.746 -9.522 -5.072 251 3HZ LYS 31 3HZ LYS 31 -6.218 -9.279 -6.677 252 H GLN 32 H GLN 32 -6.348 -8.768 1.289 253 HA GLN 32 HA GLN 32 -8.421 -7.467 2.695 254 1HB GLN 32 2HB GLN 32 -7.575 -9.736 3.259 255 2HB GLN 32 1HB GLN 32 -6.075 -9.015 3.824 256 1HG GLN 32 2HG GLN 32 -7.456 -9.525 5.707 257 2HG GLN 32 1HG GLN 32 -7.340 -7.777 5.532 258 1HE2 GLN 32 1HE2 GLN 32 -9.372 -9.074 3.168 259 2HE2 GLN 32 2HE2 GLN 32 -10.878 -8.770 3.948 260 H PHE 33 H PHE 33 -4.952 -7.031 2.555 261 HA PHE 33 HA PHE 33 -4.502 -5.227 4.601 262 1HB PHE 33 2HB PHE 33 -2.802 -6.336 3.104 263 2HB PHE 33 1HB PHE 33 -3.226 -5.172 1.857 264 HD1 PHE 33 1HD PHE 33 -1.953 -5.401 5.335 265 HD2 PHE 33 2HD PHE 33 -2.104 -3.154 1.714 266 HE1 PHE 33 1HE PHE 33 -0.270 -3.836 6.223 267 HE2 PHE 33 2HE PHE 33 -0.424 -1.595 2.608 268 HZ PHE 33 HZ PHE 33 0.492 -1.944 4.868 269 H PHE 34 H PHE 34 -4.974 -4.395 1.199 270 HA PHE 34 HA PHE 34 -5.469 -1.632 1.671 271 1HB PHE 34 2HB PHE 34 -6.116 -3.304 -0.759 272 2HB PHE 34 1HB PHE 34 -6.095 -1.539 -0.698 273 HD1 PHE 34 1HD PHE 34 -3.795 -0.814 0.737 274 HD2 PHE 34 2HD PHE 34 -4.296 -4.079 -1.934 275 HE1 PHE 34 1HE PHE 34 -1.372 -0.850 0.337 276 HE2 PHE 34 2HE PHE 34 -1.874 -4.117 -2.351 277 HZ PHE 34 HZ PHE 34 -0.416 -2.501 -1.195 278 H ASN 35 H ASN 35 -7.555 -4.420 1.251 279 HA ASN 35 HA ASN 35 -10.033 -3.206 1.013 280 1HB ASN 35 2HB ASN 35 -9.688 -5.632 0.866 281 2HB ASN 35 1HB ASN 35 -9.299 -5.692 2.582 282 1HD2 ASN 35 1HD2 ASN 35 -11.538 -6.551 0.565 283 2HD2 ASN 35 2HD2 ASN 35 -12.973 -6.306 1.494 284 H ASP 36 H ASP 36 -8.055 -3.793 3.827 285 HA ASP 36 HA ASP 36 -10.016 -2.567 5.608 286 1HB ASP 36 2HB ASP 36 -7.380 -3.927 6.193 287 2HB ASP 36 1HB ASP 36 -8.446 -3.251 7.421 288 H ASN 37 H ASN 37 -7.035 -1.745 4.013 289 HA ASN 37 HA ASN 37 -6.452 0.457 5.801 290 1HB ASN 37 2HB ASN 37 -5.280 -0.254 3.102 291 2HB ASN 37 1HB ASN 37 -4.706 1.052 4.133 292 1HD2 ASN 37 1HD2 ASN 37 -3.591 -1.599 3.105 293 2HD2 ASN 37 2HD2 ASN 37 -2.923 -2.321 4.526 294 H GLY 38 H GLY 38 -7.649 0.020 2.524 295 1HA GLY 38 2HA GLY 38 -8.055 2.053 1.141 296 2HA GLY 38 1HA GLY 38 -9.525 1.305 1.726 297 H VAL 39 H VAL 39 -10.942 2.595 2.616 298 HA VAL 39 HA VAL 39 -10.082 5.282 3.454 299 HB VAL 39 HB VAL 39 -12.831 4.370 2.690 300 1HG1 VAL 39 1HG1 VAL 39 -12.857 6.967 2.148 301 2HG1 VAL 39 2HG1 VAL 39 -11.614 6.984 3.398 302 3HG1 VAL 39 3HG1 VAL 39 -13.219 6.346 3.758 303 1HG2 VAL 39 1HG2 VAL 39 -11.244 4.058 0.832 304 2HG2 VAL 39 2HG2 VAL 39 -10.802 5.761 0.947 305 3HG2 VAL 39 3HG2 VAL 39 -12.444 5.304 0.491 306 H ASP 40 H ASP 40 -10.812 2.492 5.071 307 HA ASP 40 HA ASP 40 -12.164 4.009 7.194 308 1HB ASP 40 2HB ASP 40 -12.615 1.118 6.430 309 2HB ASP 40 1HB ASP 40 -13.307 1.905 7.846 310 H GLY 41 H GLY 41 -9.265 2.915 6.481 311 1HA GLY 41 2HA GLY 41 -8.694 1.248 8.761 312 2HA GLY 41 1HA GLY 41 -7.526 1.883 7.616 313 H GLU 42 H GLU 42 -6.781 1.801 10.171 314 HA GLU 42 HA GLU 42 -7.226 4.454 11.336 315 1HB GLU 42 2HB GLU 42 -5.821 2.022 12.462 316 2HB GLU 42 1HB GLU 42 -6.033 3.543 13.312 317 1HG GLU 42 2HG GLU 42 -7.659 1.958 14.081 318 2HG GLU 42 1HG GLU 42 -8.472 3.245 13.191 319 H TRP 43 H TRP 43 -5.935 5.924 10.375 320 HA TRP 43 HA TRP 43 -3.165 5.193 9.771 321 1HB TRP 43 2HB TRP 43 -4.802 7.576 8.910 322 2HB TRP 43 1HB TRP 43 -3.152 7.247 8.407 323 HD1 TRP 43 HD TRP 43 -5.792 4.446 8.482 324 HE1 TRP 43 1HE TRP 43 -6.226 3.700 6.060 325 HE3 TRP 43 3HE TRP 43 -3.057 7.992 6.060 326 HZ2 TRP 43 2HZ TRP 43 -5.494 4.522 3.450 327 HZ3 TRP 43 3HZ TRP 43 -2.970 7.960 3.607 328 HH2 TRP 43 HH TRP 43 -4.165 6.254 2.324 329 H THR 44 H THR 44 -1.551 5.857 11.013 330 HA THR 44 HA THR 44 -1.975 8.166 12.789 331 HB THR 44 HB THR 44 -0.108 7.233 14.137 332 HG1 THR 44 1HG THR 44 -0.310 5.017 12.381 333 1HG2 THR 44 1HG2 THR 44 -2.464 5.446 13.651 334 2HG2 THR 44 2HG2 THR 44 -2.202 6.590 14.967 335 3HG2 THR 44 3HG2 THR 44 -1.251 5.107 14.886 336 H TYR 45 H TYR 45 -0.573 9.898 12.657 337 HA TYR 45 HA TYR 45 1.431 9.743 10.501 338 1HB TYR 45 2HB TYR 45 -0.416 11.254 9.986 339 2HB TYR 45 1HB TYR 45 -0.134 12.134 11.483 340 HD1 TYR 45 1HD TYR 45 2.295 10.908 8.932 341 HD2 TYR 45 2HD TYR 45 0.525 14.269 10.848 342 HE1 TYR 45 1HE TYR 45 3.861 12.396 7.757 343 HE2 TYR 45 2HE TYR 45 2.084 15.766 9.677 344 HH TYR 45 HH TYR 45 3.456 15.745 7.612 345 H ASP 46 H ASP 46 3.456 10.616 10.770 346 HA ASP 46 HA ASP 46 4.151 11.520 13.485 347 1HB ASP 46 2HB ASP 46 4.986 9.236 13.102 348 2HB ASP 46 1HB ASP 46 5.823 9.783 11.653 349 H ASP 47 H ASP 47 3.897 13.688 12.729 350 HA ASP 47 HA ASP 47 4.988 14.859 10.502 351 1HB ASP 47 2HB ASP 47 4.782 16.061 13.269 352 2HB ASP 47 1HB ASP 47 5.006 16.974 11.779 353 H ALA 48 H ALA 48 6.614 14.051 13.516 354 HA ALA 48 HA ALA 48 8.959 15.457 13.300 355 1HB ALA 48 1HB ALA 48 10.011 13.664 14.606 356 2HB ALA 48 2HB ALA 48 8.622 12.628 14.285 357 3HB ALA 48 3HB ALA 48 8.421 14.101 15.233 358 H THR 49 H THR 49 7.959 12.680 11.426 359 HA THR 49 HA THR 49 10.484 12.875 9.924 360 HB THR 49 HB THR 49 10.387 10.443 9.532 361 HG1 THR 49 1HG THR 49 8.921 9.210 10.742 362 1HG2 THR 49 1HG2 THR 49 11.672 11.316 11.467 363 2HG2 THR 49 2HG2 THR 49 11.084 9.666 11.672 364 3HG2 THR 49 3HG2 THR 49 10.264 11.002 12.481 365 H LYS 50 H LYS 50 7.465 13.721 9.662 366 HA LYS 50 HA LYS 50 5.898 13.911 7.990 367 1HB LYS 50 2HB LYS 50 8.392 13.671 6.291 368 2HB LYS 50 1HB LYS 50 6.839 14.266 5.728 369 1HG LYS 50 2HG LYS 50 8.463 15.544 7.916 370 2HG LYS 50 1HG LYS 50 8.476 16.052 6.227 371 1HD LYS 50 2HD LYS 50 6.025 15.984 7.988 372 2HD LYS 50 1HD LYS 50 6.988 17.424 7.657 373 1HE LYS 50 2HE LYS 50 5.637 15.766 5.537 374 2HE LYS 50 1HE LYS 50 4.939 17.216 6.255 375 1HZ LYS 50 1HZ LYS 50 6.289 18.547 5.083 376 2HZ LYS 50 2HZ LYS 50 6.446 17.215 4.054 377 3HZ LYS 50 3HZ LYS 50 7.628 17.524 5.224 378 H THR 51 H THR 51 6.420 11.230 8.969 379 HA THR 51 HA THR 51 5.821 9.663 6.551 380 HB THR 51 HB THR 51 7.138 8.781 9.126 381 HG1 THR 51 1HG THR 51 8.627 9.813 7.904 382 1HG2 THR 51 1HG2 THR 51 5.666 7.129 7.576 383 2HG2 THR 51 2HG2 THR 51 7.070 6.632 8.518 384 3HG2 THR 51 3HG2 THR 51 7.243 7.003 6.802 385 H PHE 52 H PHE 52 4.132 8.227 6.580 386 HA PHE 52 HA PHE 52 2.311 8.415 8.894 387 1HB PHE 52 2HB PHE 52 1.554 7.874 6.014 388 2HB PHE 52 1HB PHE 52 0.454 8.129 7.362 389 HD1 PHE 52 1HD PHE 52 -0.546 10.179 7.500 390 HD2 PHE 52 2HD PHE 52 3.304 9.890 5.710 391 HE1 PHE 52 1HE PHE 52 -0.610 12.583 6.982 392 HE2 PHE 52 2HE PHE 52 3.249 12.294 5.193 393 HZ PHE 52 HZ PHE 52 1.291 13.644 5.831 394 H THR 53 H THR 53 1.412 6.525 9.697 395 HA THR 53 HA THR 53 2.369 4.032 8.462 396 HB THR 53 HB THR 53 2.075 3.119 10.887 397 HG1 THR 53 1HG THR 53 2.590 5.843 11.442 398 1HG2 THR 53 1HG2 THR 53 4.240 2.920 10.345 399 2HG2 THR 53 2HG2 THR 53 4.412 4.289 11.447 400 3HG2 THR 53 3HG2 THR 53 4.347 4.565 9.706 401 H VAL 54 H VAL 54 0.878 2.720 7.756 402 HA VAL 54 HA VAL 54 -1.898 3.092 8.646 403 HB VAL 54 HB VAL 54 -0.877 1.641 6.192 404 1HG1 VAL 54 1HG1 VAL 54 -3.664 2.542 6.283 405 2HG1 VAL 54 2HG1 VAL 54 -3.271 1.279 7.449 406 3HG1 VAL 54 3HG1 VAL 54 -2.980 1.014 5.731 407 1HG2 VAL 54 1HG2 VAL 54 -2.240 3.751 5.226 408 2HG2 VAL 54 2HG2 VAL 54 -0.498 3.756 5.502 409 3HG2 VAL 54 3HG2 VAL 54 -1.581 4.459 6.702 410 H THR 55 H THR 55 -2.343 1.779 10.314 411 HA THR 55 HA THR 55 -1.184 -0.907 10.329 412 HB THR 55 HB THR 55 -2.690 0.448 12.562 413 HG1 THR 55 1HG THR 55 0.116 0.282 12.196 414 1HG2 THR 55 1HG2 THR 55 -1.299 -1.115 13.951 415 2HG2 THR 55 2HG2 THR 55 -0.888 -1.952 12.452 416 3HG2 THR 55 3HG2 THR 55 -2.568 -1.872 12.990 417 H GLU 56 H GLU 56 -2.344 -2.459 9.443 418 HA GLU 56 HA GLU 56 -5.107 -2.256 8.891 419 1HB GLU 56 2HB GLU 56 -3.605 -3.664 7.568 420 2HB GLU 56 1HB GLU 56 -3.319 -4.694 8.963 421 1HG GLU 56 2HG GLU 56 -5.675 -5.343 8.966 422 2HG GLU 56 1HG GLU 56 -5.957 -4.313 7.564 423 1H MET 1 1HT MET 1 7.705 17.969 -3.207 424 2H MET 1 2HT MET 1 6.983 19.184 -2.279 425 3H MET 1 3HT MET 1 6.106 17.795 -2.680 426 HA MET 1 HA MET 1 8.595 17.633 -1.107 427 1HB MET 1 2HB MET 1 6.766 19.224 -0.175 428 2HB MET 1 1HB MET 1 5.840 17.760 0.112 429 1HG MET 1 2HG MET 1 8.575 18.318 1.241 430 2HG MET 1 1HG MET 1 7.055 18.553 2.102 431 1HE MET 1 1HE MET 1 8.837 17.411 3.547 432 2HE MET 1 2HE MET 1 9.602 15.883 3.111 433 3HE MET 1 3HE MET 1 8.184 15.891 4.158 434 H GLN 2 H GLN 2 9.041 15.557 -0.542 435 HA GLN 2 HA GLN 2 7.157 13.498 -1.444 436 1HB GLN 2 2HB GLN 2 9.411 13.381 -2.405 437 2HB GLN 2 1HB GLN 2 10.105 13.289 -0.792 438 1HG GLN 2 2HG GLN 2 8.987 11.158 -0.420 439 2HG GLN 2 1HG GLN 2 8.257 11.253 -2.019 440 1HE2 GLN 2 1HE2 GLN 2 11.261 12.548 -2.365 441 2HE2 GLN 2 2HE2 GLN 2 12.131 11.134 -2.831 442 H TYR 3 H TYR 3 6.216 12.121 -0.053 443 HA TYR 3 HA TYR 3 7.023 12.310 2.775 444 1HB TYR 3 2HB TYR 3 4.270 11.742 1.659 445 2HB TYR 3 1HB TYR 3 4.691 11.807 3.368 446 HD1 TYR 3 1HD TYR 3 4.327 13.791 4.506 447 HD2 TYR 3 2HD TYR 3 4.907 13.915 0.292 448 HE1 TYR 3 1HE TYR 3 3.881 16.209 4.521 449 HE2 TYR 3 2HE TYR 3 4.466 16.333 0.298 450 HH TYR 3 HH TYR 3 4.649 18.235 2.036 451 H LYS 4 H LYS 4 7.121 10.445 4.007 452 HA LYS 4 HA LYS 4 7.370 7.985 2.440 453 1HB LYS 4 2HB LYS 4 9.315 8.641 3.769 454 2HB LYS 4 1HB LYS 4 8.331 8.656 5.226 455 1HG LYS 4 2HG LYS 4 7.943 6.247 4.975 456 2HG LYS 4 1HG LYS 4 8.969 6.245 3.540 457 1HD LYS 4 2HD LYS 4 10.863 7.003 4.888 458 2HD LYS 4 1HD LYS 4 9.837 7.027 6.324 459 1HE LYS 4 2HE LYS 4 9.462 4.612 6.077 460 2HE LYS 4 1HE LYS 4 10.520 4.602 4.665 461 1HZ LYS 4 1HZ LYS 4 12.378 5.117 5.985 462 2HZ LYS 4 2HZ LYS 4 11.554 3.909 6.837 463 3HZ LYS 4 3HZ LYS 4 11.432 5.522 7.328 464 H VAL 5 H VAL 5 5.534 6.856 2.347 465 HA VAL 5 HA VAL 5 3.786 6.776 4.692 466 HB VAL 5 HB VAL 5 3.275 5.747 1.897 467 1HG1 VAL 5 1HG1 VAL 5 2.013 4.614 3.730 468 2HG1 VAL 5 2HG1 VAL 5 0.995 5.457 2.562 469 3HG1 VAL 5 3HG1 VAL 5 1.311 6.179 4.139 470 1HG2 VAL 5 1HG2 VAL 5 1.557 7.821 2.283 471 2HG2 VAL 5 2HG2 VAL 5 3.092 7.932 1.424 472 3HG2 VAL 5 3HG2 VAL 5 2.998 8.393 3.123 473 H ILE 6 H ILE 6 3.921 5.133 6.049 474 HA ILE 6 HA ILE 6 5.217 2.655 5.179 475 HB ILE 6 HB ILE 6 4.661 3.729 7.946 476 1HG1 ILE 6 2HG1 ILE 6 7.241 3.340 6.415 477 2HG1 ILE 6 1HG1 ILE 6 6.471 4.882 6.769 478 1HG2 ILE 6 1HG2 ILE 6 6.458 1.661 8.217 479 2HG2 ILE 6 2HG2 ILE 6 5.296 1.041 7.043 480 3HG2 ILE 6 3HG2 ILE 6 4.741 1.608 8.617 481 1HD1 ILE 6 1HD1 ILE 6 7.982 4.869 8.445 482 2HD1 ILE 6 2HD1 ILE 6 8.063 3.110 8.509 483 3HD1 ILE 6 3HD1 ILE 6 6.708 3.957 9.256 484 H LEU 7 H LEU 7 3.937 1.024 4.632 485 HA LEU 7 HA LEU 7 1.206 0.923 5.684 486 1HB LEU 7 2HB LEU 7 2.323 -0.890 3.563 487 2HB LEU 7 1HB LEU 7 0.655 -0.418 3.836 488 HG LEU 7 HG LEU 7 2.853 1.284 2.681 489 1HD1 LEU 7 1HD1 LEU 7 0.241 0.348 1.505 490 2HD1 LEU 7 2HD1 LEU 7 1.819 -0.363 1.168 491 3HD1 LEU 7 3HD1 LEU 7 1.485 1.302 0.696 492 1HD2 LEU 7 1HD2 LEU 7 0.006 2.067 3.298 493 2HD2 LEU 7 2HD2 LEU 7 1.235 3.075 2.529 494 3HD2 LEU 7 3HD2 LEU 7 1.423 2.581 4.212 495 H ASN 8 H ASN 8 1.694 0.176 7.761 496 HA ASN 8 HA ASN 8 3.042 -2.402 8.023 497 1HB ASN 8 2HB ASN 8 3.650 -0.418 9.446 498 2HB ASN 8 1HB ASN 8 2.065 -0.548 10.199 499 1HD2 ASN 8 1HD2 ASN 8 5.107 -1.094 10.804 500 2HD2 ASN 8 2HD2 ASN 8 5.026 -2.532 11.761 501 H GLY 9 H GLY 9 1.717 -4.118 7.736 502 1HA GLY 9 2HA GLY 9 -0.909 -4.037 9.090 503 2HA GLY 9 1HA GLY 9 -0.605 -4.933 7.612 504 H LYS 10 H LYS 10 -1.604 -6.649 8.982 505 HA LYS 10 HA LYS 10 -0.014 -7.753 11.104 506 1HB LYS 10 2HB LYS 10 -2.493 -8.665 9.661 507 2HB LYS 10 1HB LYS 10 -1.671 -9.705 10.812 508 1HG LYS 10 2HG LYS 10 -3.579 -8.505 11.789 509 2HG LYS 10 1HG LYS 10 -2.054 -8.128 12.588 510 1HD LYS 10 2HD LYS 10 -2.927 -6.362 10.365 511 2HD LYS 10 1HD LYS 10 -3.796 -6.248 11.895 512 1HE LYS 10 2HE LYS 10 -0.805 -6.007 11.588 513 2HE LYS 10 1HE LYS 10 -1.916 -4.647 11.722 514 1HZ LYS 10 1HZ LYS 10 -2.244 -6.574 13.821 515 2HZ LYS 10 2HZ LYS 10 -2.039 -4.899 13.917 516 3HZ LYS 10 3HZ LYS 10 -0.688 -5.908 13.789 517 H THR 11 H THR 11 -0.952 -8.956 7.872 518 HA THR 11 HA THR 11 1.365 -10.744 7.919 519 HB THR 11 HB THR 11 0.087 -11.736 5.903 520 HG1 THR 11 1HG THR 11 -2.206 -11.332 6.127 521 1HG2 THR 11 1HG2 THR 11 -0.951 -11.937 8.709 522 2HG2 THR 11 2HG2 THR 11 0.147 -13.034 7.872 523 3HG2 THR 11 3HG2 THR 11 -1.545 -12.937 7.384 524 H LEU 12 H LEU 12 0.748 -7.734 6.933 525 HA LEU 12 HA LEU 12 2.521 -8.012 4.624 526 1HB LEU 12 2HB LEU 12 0.271 -7.826 3.739 527 2HB LEU 12 1HB LEU 12 -0.012 -6.381 4.690 528 HG LEU 12 HG LEU 12 1.554 -5.130 3.377 529 1HD1 LEU 12 1HD1 LEU 12 3.324 -6.232 2.604 530 2HD1 LEU 12 2HD1 LEU 12 2.295 -6.745 1.264 531 3HD1 LEU 12 3HD1 LEU 12 2.489 -7.778 2.677 532 1HD2 LEU 12 1HD2 LEU 12 -0.820 -6.186 2.402 533 2HD2 LEU 12 2HD2 LEU 12 0.329 -6.389 1.080 534 3HD2 LEU 12 3HD2 LEU 12 0.054 -4.791 1.772 535 H LYS 13 H LYS 13 4.055 -6.508 4.436 536 HA LYS 13 HA LYS 13 3.905 -4.049 5.999 537 1HB LYS 13 2HB LYS 13 6.301 -5.882 6.189 538 2HB LYS 13 1HB LYS 13 6.058 -4.367 7.044 539 1HG LYS 13 2HG LYS 13 5.555 -5.867 8.688 540 2HG LYS 13 1HG LYS 13 3.955 -5.592 7.999 541 1HD LYS 13 2HD LYS 13 4.261 -7.954 8.332 542 2HD LYS 13 1HD LYS 13 4.264 -7.623 6.603 543 1HE LYS 13 2HE LYS 13 6.697 -7.717 6.569 544 2HE LYS 13 1HE LYS 13 6.720 -7.994 8.309 545 1HZ LYS 13 1HZ LYS 13 5.190 -9.826 6.599 546 2HZ LYS 13 2HZ LYS 13 5.968 -10.127 8.070 547 3HZ LYS 13 3HZ LYS 13 6.875 -9.977 6.652 548 H GLY 14 H GLY 14 5.139 -2.355 5.126 549 1HA GLY 14 2HA GLY 14 7.131 -2.730 3.151 550 2HA GLY 14 1HA GLY 14 5.589 -2.418 2.376 551 H GLU 15 H GLU 15 7.050 -0.617 1.591 552 HA GLU 15 HA GLU 15 6.471 1.750 3.202 553 1HB GLU 15 2HB GLU 15 9.196 1.164 2.025 554 2HB GLU 15 1HB GLU 15 8.725 2.658 2.826 555 1HG GLU 15 2HG GLU 15 8.393 1.459 4.911 556 2HG GLU 15 1HG GLU 15 8.805 -0.060 4.118 557 H THR 16 H THR 16 5.812 3.443 2.024 558 HA THR 16 HA THR 16 6.289 3.440 -0.861 559 HB THR 16 HB THR 16 4.161 2.549 -0.935 560 HG1 THR 16 1HG THR 16 3.574 5.288 -0.728 561 1HG2 THR 16 1HG2 THR 16 3.246 2.327 1.113 562 2HG2 THR 16 2HG2 THR 16 2.311 3.715 0.560 563 3HG2 THR 16 3HG2 THR 16 3.699 3.951 1.618 564 H THR 17 H THR 17 5.604 5.591 -1.870 565 HA THR 17 HA THR 17 5.832 7.817 0.012 566 HB THR 17 HB THR 17 7.613 8.851 -1.387 567 HG1 THR 17 1HG THR 17 7.632 6.290 -2.594 568 1HG2 THR 17 1HG2 THR 17 9.464 7.576 -0.561 569 2HG2 THR 17 2HG2 THR 17 8.431 6.169 -0.304 570 3HG2 THR 17 3HG2 THR 17 8.203 7.621 0.670 571 H THR 18 H THR 18 4.399 9.315 -0.432 572 HA THR 18 HA THR 18 3.394 9.627 -3.200 573 HB THR 18 HB THR 18 1.708 8.946 -1.496 574 HG1 THR 18 1HG THR 18 1.156 10.282 -3.304 575 1HG2 THR 18 1HG2 THR 18 2.561 11.482 -0.167 576 2HG2 THR 18 2HG2 THR 18 2.277 9.890 0.536 577 3HG2 THR 18 3HG2 THR 18 0.915 10.875 0.002 578 H GLU 19 H GLU 19 3.215 11.743 -4.048 579 HA GLU 19 HA GLU 19 4.813 13.765 -2.610 580 1HB GLU 19 2HB GLU 19 5.762 13.068 -4.762 581 2HB GLU 19 1HB GLU 19 4.260 13.487 -5.573 582 1HG GLU 19 2HG GLU 19 4.578 15.829 -4.968 583 2HG GLU 19 1HG GLU 19 6.080 15.414 -4.143 584 H ALA 20 H ALA 20 3.711 15.441 -1.779 585 HA ALA 20 HA ALA 20 1.459 16.544 -3.253 586 1HB ALA 20 1HB ALA 20 0.660 14.723 -1.636 587 2HB ALA 20 2HB ALA 20 -0.158 16.283 -1.601 588 3HB ALA 20 3HB ALA 20 1.032 15.883 -0.363 589 H VAL 21 H VAL 21 0.909 18.640 -2.695 590 HA VAL 21 HA VAL 21 2.928 20.393 -2.071 591 HB VAL 21 HB VAL 21 0.010 20.922 -1.517 592 1HG1 VAL 21 1HG1 VAL 21 0.508 23.214 -1.839 593 2HG1 VAL 21 2HG1 VAL 21 2.129 22.851 -2.432 594 3HG1 VAL 21 3HG1 VAL 21 1.733 22.589 -0.733 595 1HG2 VAL 21 1HG2 VAL 21 -0.057 20.143 -3.695 596 2HG2 VAL 21 2HG2 VAL 21 1.544 20.776 -4.081 597 3HG2 VAL 21 3HG2 VAL 21 0.175 21.877 -3.925 598 H ASP 22 H ASP 22 0.875 18.651 0.129 599 HA ASP 22 HA ASP 22 2.517 19.516 2.348 600 1HB ASP 22 2HB ASP 22 0.691 20.337 3.738 601 2HB ASP 22 1HB ASP 22 0.816 21.293 2.265 602 H ALA 23 H ALA 23 1.559 18.500 4.477 603 HA ALA 23 HA ALA 23 1.658 15.726 4.152 604 1HB ALA 23 1HB ALA 23 0.359 16.724 6.602 605 2HB ALA 23 2HB ALA 23 1.965 17.366 6.256 606 3HB ALA 23 3HB ALA 23 1.725 15.625 6.406 607 H ALA 24 H ALA 24 -1.110 17.869 4.662 608 HA ALA 24 HA ALA 24 -3.059 15.845 4.894 609 1HB ALA 24 1HB ALA 24 -3.123 18.751 4.215 610 2HB ALA 24 2HB ALA 24 -3.879 17.891 5.557 611 3HB ALA 24 3HB ALA 24 -4.568 17.777 3.938 612 H THR 25 H THR 25 -2.168 17.841 2.069 613 HA THR 25 HA THR 25 -3.719 16.599 0.160 614 HB THR 25 HB THR 25 -1.959 17.332 -1.454 615 HG1 THR 25 1HG THR 25 -0.551 17.737 0.936 616 1HG2 THR 25 1HG2 THR 25 -1.830 19.783 -0.585 617 2HG2 THR 25 2HG2 THR 25 -2.985 19.201 0.615 618 3HG2 THR 25 3HG2 THR 25 -3.371 19.099 -1.103 619 H ALA 26 H ALA 26 -0.484 15.755 1.329 620 HA ALA 26 HA ALA 26 -0.062 13.510 -0.307 621 1HB ALA 26 1HB ALA 26 1.474 12.778 1.586 622 2HB ALA 26 2HB ALA 26 0.980 14.252 2.419 623 3HB ALA 26 3HB ALA 26 1.809 14.353 0.866 624 H GLU 27 H GLU 27 -1.303 13.743 3.035 625 HA GLU 27 HA GLU 27 -1.921 11.114 3.503 626 1HB GLU 27 2HB GLU 27 -2.116 12.897 5.183 627 2HB GLU 27 1HB GLU 27 -3.505 13.554 4.328 628 1HG GLU 27 2HG GLU 27 -4.219 12.288 6.253 629 2HG GLU 27 1HG GLU 27 -4.746 11.494 4.769 630 H LYS 28 H LYS 28 -3.947 13.578 1.942 631 HA LYS 28 HA LYS 28 -6.164 11.915 1.463 632 1HB LYS 28 2HB LYS 28 -5.232 14.350 -0.070 633 2HB LYS 28 1HB LYS 28 -6.824 13.614 -0.205 634 1HG LYS 28 2HG LYS 28 -5.648 14.932 2.231 635 2HG LYS 28 1HG LYS 28 -6.954 15.547 1.214 636 1HD LYS 28 2HD LYS 28 -8.335 13.623 1.841 637 2HD LYS 28 1HD LYS 28 -7.031 13.021 2.863 638 1HE LYS 28 2HE LYS 28 -7.171 15.048 4.230 639 2HE LYS 28 1HE LYS 28 -8.476 15.647 3.207 640 1HZ LYS 28 1HZ LYS 28 -9.810 13.735 3.869 641 2HZ LYS 28 2HZ LYS 28 -9.344 14.647 5.215 642 3HZ LYS 28 3HZ LYS 28 -8.560 13.188 4.871 643 H VAL 29 H VAL 29 -3.349 12.738 -0.531 644 HA VAL 29 HA VAL 29 -4.045 11.379 -2.852 645 HB VAL 29 HB VAL 29 -1.289 11.725 -1.658 646 1HG1 VAL 29 1HG1 VAL 29 -2.232 10.679 -4.282 647 2HG1 VAL 29 2HG1 VAL 29 -0.888 10.147 -3.272 648 3HG1 VAL 29 3HG1 VAL 29 -0.744 11.624 -4.225 649 1HG2 VAL 29 1HG2 VAL 29 -3.038 13.672 -2.511 650 2HG2 VAL 29 2HG2 VAL 29 -2.025 13.396 -3.927 651 3HG2 VAL 29 3HG2 VAL 29 -1.286 13.835 -2.387 652 H VAL 30 H VAL 30 -2.459 10.220 0.075 653 HA VAL 30 HA VAL 30 -1.972 7.585 -0.834 654 HB VAL 30 HB VAL 30 -2.411 8.547 2.001 655 1HG1 VAL 30 1HG1 VAL 30 -1.568 6.552 2.775 656 2HG1 VAL 30 2HG1 VAL 30 -0.713 6.206 1.273 657 3HG1 VAL 30 3HG1 VAL 30 -2.462 6.005 1.357 658 1HG2 VAL 30 1HG2 VAL 30 -0.560 9.607 0.511 659 2HG2 VAL 30 2HG2 VAL 30 0.272 8.075 0.775 660 3HG2 VAL 30 3HG2 VAL 30 -0.171 9.087 2.150 661 H LYS 31 H LYS 31 -4.610 9.032 1.089 662 HA LYS 31 HA LYS 31 -6.138 6.761 1.477 663 1HB LYS 31 2HB LYS 31 -6.878 9.655 1.202 664 2HB LYS 31 1HB LYS 31 -8.119 8.426 1.422 665 1HG LYS 31 2HG LYS 31 -7.027 7.714 3.500 666 2HG LYS 31 1HG LYS 31 -5.826 8.990 3.288 667 1HD LYS 31 2HD LYS 31 -7.522 10.686 3.486 668 2HD LYS 31 1HD LYS 31 -8.796 9.465 3.508 669 1HE LYS 31 2HE LYS 31 -8.387 10.239 5.759 670 2HE LYS 31 1HE LYS 31 -7.856 8.565 5.605 671 1HZ LYS 31 1HZ LYS 31 -6.257 10.997 5.948 672 2HZ LYS 31 2HZ LYS 31 -5.584 9.713 5.080 673 3HZ LYS 31 3HZ LYS 31 -6.084 9.482 6.678 674 H GLN 32 H GLN 32 -6.113 8.972 -1.289 675 HA GLN 32 HA GLN 32 -8.198 7.721 -2.724 676 1HB GLN 32 2HB GLN 32 -7.288 9.969 -3.275 677 2HB GLN 32 1HB GLN 32 -5.799 9.211 -3.817 678 1HG GLN 32 2HG GLN 32 -7.142 9.755 -5.719 679 2HG GLN 32 1HG GLN 32 -7.070 8.006 -5.544 680 1HE2 GLN 32 1HE2 GLN 32 -9.102 9.350 -3.208 681 2HE2 GLN 32 2HE2 GLN 32 -10.605 9.084 -4.012 682 H PHE 33 H PHE 33 -4.744 7.203 -2.533 683 HA PHE 33 HA PHE 33 -4.308 5.386 -4.575 684 1HB PHE 33 2HB PHE 33 -2.603 6.454 -3.053 685 2HB PHE 33 1HB PHE 33 -3.071 5.303 -1.811 686 HD1 PHE 33 1HD PHE 33 -1.745 5.499 -5.271 687 HD2 PHE 33 2HD PHE 33 -2.002 3.256 -1.653 688 HE1 PHE 33 1HE PHE 33 -0.089 3.894 -6.136 689 HE2 PHE 33 2HE PHE 33 -0.349 1.658 -2.524 690 HZ PHE 33 HZ PHE 33 0.608 1.984 -4.771 691 H PHE 34 H PHE 34 -4.848 4.566 -1.178 692 HA PHE 34 HA PHE 34 -5.404 1.817 -1.658 693 1HB PHE 34 2HB PHE 34 -6.045 3.505 0.763 694 2HB PHE 34 1HB PHE 34 -6.066 1.740 0.702 695 HD1 PHE 34 1HD PHE 34 -3.764 0.958 -0.700 696 HD2 PHE 34 2HD PHE 34 -4.222 4.236 1.963 697 HE1 PHE 34 1HE PHE 34 -1.346 0.934 -0.268 698 HE2 PHE 34 2HE PHE 34 -1.806 4.214 2.414 699 HZ PHE 34 HZ PHE 34 -0.372 2.563 1.279 700 H ASN 35 H ASN 35 -7.426 4.656 -1.269 701 HA ASN 35 HA ASN 35 -9.936 3.501 -1.066 702 1HB ASN 35 2HB ASN 35 -9.536 5.918 -0.912 703 2HB ASN 35 1HB ASN 35 -9.121 5.969 -2.622 704 1HD2 ASN 35 1HD2 ASN 35 -11.366 6.882 -0.638 705 2HD2 ASN 35 2HD2 ASN 35 -12.794 6.671 -1.588 706 H ASP 36 H ASP 36 -7.904 4.039 -3.851 707 HA ASP 36 HA ASP 36 -9.870 2.863 -5.659 708 1HB ASP 36 2HB ASP 36 -7.195 4.157 -6.205 709 2HB ASP 36 1HB ASP 36 -8.259 3.507 -7.449 710 H ASN 37 H ASN 37 -6.932 1.967 -4.023 711 HA ASN 37 HA ASN 37 -6.379 -0.250 -5.802 712 1HB ASN 37 2HB ASN 37 -5.228 0.435 -3.087 713 2HB ASN 37 1HB ASN 37 -4.669 -0.886 -4.109 714 1HD2 ASN 37 1HD2 ASN 37 -3.507 1.738 -3.066 715 2HD2 ASN 37 2HD2 ASN 37 -2.801 2.443 -4.478 716 H GLY 38 H GLY 38 -7.610 0.217 -2.544 717 1HA GLY 38 2HA GLY 38 -8.086 -1.805 -1.164 718 2HA GLY 38 1HA GLY 38 -9.528 -1.020 -1.771 719 H VAL 39 H VAL 39 -10.964 -2.273 -2.683 720 HA VAL 39 HA VAL 39 -10.156 -4.980 -3.506 721 HB VAL 39 HB VAL 39 -12.894 -4.004 -2.782 722 1HG1 VAL 39 1HG1 VAL 39 -12.990 -6.601 -2.242 723 2HG1 VAL 39 2HG1 VAL 39 -11.730 -6.647 -3.476 724 3HG1 VAL 39 3HG1 VAL 39 -13.314 -5.971 -3.857 725 1HG2 VAL 39 1HG2 VAL 39 -11.325 -3.730 -0.901 726 2HG2 VAL 39 2HG2 VAL 39 -10.924 -5.444 -1.010 727 3HG2 VAL 39 3HG2 VAL 39 -12.561 -4.948 -0.579 728 H ASP 40 H ASP 40 -10.798 -2.174 -5.135 729 HA ASP 40 HA ASP 40 -12.155 -3.661 -7.277 730 1HB ASP 40 2HB ASP 40 -12.547 -0.759 -6.522 731 2HB ASP 40 1HB ASP 40 -13.236 -1.531 -7.945 732 H GLY 41 H GLY 41 -9.241 -2.637 -6.522 733 1HA GLY 41 2HA GLY 41 -8.595 -0.984 -8.792 734 2HA GLY 41 1HA GLY 41 -7.461 -1.650 -7.631 735 H GLU 42 H GLU 42 -6.678 -1.585 -10.175 736 HA GLU 42 HA GLU 42 -7.172 -4.228 -11.348 737 1HB GLU 42 2HB GLU 42 -5.691 -1.830 -12.451 738 2HB GLU 42 1HB GLU 42 -5.929 -3.347 -13.305 739 1HG GLU 42 2HG GLU 42 -7.504 -1.721 -14.098 740 2HG GLU 42 1HG GLU 42 -8.362 -2.986 -13.220 741 H TRP 43 H TRP 43 -5.929 -5.729 -10.371 742 HA TRP 43 HA TRP 43 -3.151 -5.063 -9.725 743 1HB TRP 43 2HB TRP 43 -4.859 -7.406 -8.889 744 2HB TRP 43 1HB TRP 43 -3.207 -7.118 -8.363 745 HD1 TRP 43 HD TRP 43 -5.776 -4.252 -8.475 746 HE1 TRP 43 1HE TRP 43 -6.228 -3.496 -6.059 747 HE3 TRP 43 3HE TRP 43 -3.164 -7.864 -6.015 748 HZ2 TRP 43 2HZ TRP 43 -5.553 -4.335 -3.439 749 HZ3 TRP 43 3HZ TRP 43 -3.110 -7.833 -3.559 750 HH2 TRP 43 HH TRP 43 -4.282 -6.100 -2.295 751 H THR 44 H THR 44 -1.537 -5.767 -10.944 752 HA THR 44 HA THR 44 -1.992 -8.064 -12.728 753 HB THR 44 HB THR 44 -0.084 -7.177 -14.049 754 HG1 THR 44 1HG THR 44 -0.257 -4.957 -12.294 755 1HG2 THR 44 1HG2 THR 44 -2.402 -5.331 -13.597 756 2HG2 THR 44 2HG2 THR 44 -2.149 -6.484 -14.909 757 3HG2 THR 44 3HG2 THR 44 -1.164 -5.025 -14.815 758 H TYR 45 H TYR 45 -0.636 -9.831 -12.576 759 HA TYR 45 HA TYR 45 1.342 -9.723 -10.393 760 1HB TYR 45 2HB TYR 45 -0.547 -11.188 -9.903 761 2HB TYR 45 1HB TYR 45 -0.267 -12.077 -11.396 762 HD1 TYR 45 1HD TYR 45 2.155 -10.909 -8.811 763 HD2 TYR 45 2HD TYR 45 0.329 -14.227 -10.752 764 HE1 TYR 45 1HE TYR 45 3.667 -12.435 -7.614 765 HE2 TYR 45 2HE TYR 45 1.837 -15.761 -9.560 766 HH TYR 45 HH TYR 45 3.179 -15.773 -7.476 767 H ASP 46 H ASP 46 3.348 -10.647 -10.633 768 HA ASP 46 HA ASP 46 4.061 -11.567 -13.338 769 1HB ASP 46 2HB ASP 46 4.946 -9.304 -12.942 770 2HB ASP 46 1HB ASP 46 5.748 -9.870 -11.482 771 H ASP 47 H ASP 47 3.743 -13.728 -12.585 772 HA ASP 47 HA ASP 47 4.772 -14.925 -10.343 773 1HB ASP 47 2HB ASP 47 4.577 -16.122 -13.113 774 2HB ASP 47 1HB ASP 47 4.759 -17.039 -11.622 775 H ALA 48 H ALA 48 6.461 -14.157 -13.335 776 HA ALA 48 HA ALA 48 8.768 -15.619 -13.083 777 1HB ALA 48 1HB ALA 48 9.881 -13.855 -14.377 778 2HB ALA 48 2HB ALA 48 8.513 -12.785 -14.074 779 3HB ALA 48 3HB ALA 48 8.290 -14.251 -15.027 780 H THR 49 H THR 49 7.809 -12.817 -11.226 781 HA THR 49 HA THR 49 10.308 -13.076 -9.688 782 HB THR 49 HB THR 49 10.264 -10.640 -9.296 783 HG1 THR 49 1HG THR 49 8.845 -9.373 -10.526 784 1HG2 THR 49 1HG2 THR 49 11.554 -11.545 -11.213 785 2HG2 THR 49 2HG2 THR 49 11.009 -9.881 -11.427 786 3HG2 THR 49 3HG2 THR 49 10.169 -11.197 -12.248 787 H LYS 50 H LYS 50 7.266 -13.847 -9.469 788 HA LYS 50 HA LYS 50 5.671 -13.999 -7.819 789 1HB LYS 50 2HB LYS 50 8.146 -13.820 -6.086 790 2HB LYS 50 1HB LYS 50 6.571 -14.376 -5.544 791 1HG LYS 50 2HG LYS 50 8.195 -15.695 -7.709 792 2HG LYS 50 1HG LYS 50 8.168 -16.203 -6.020 793 1HD LYS 50 2HD LYS 50 5.747 -16.074 -7.815 794 2HD LYS 50 1HD LYS 50 6.669 -17.538 -7.472 795 1HE LYS 50 2HE LYS 50 5.329 -15.847 -5.370 796 2HE LYS 50 1HE LYS 50 4.607 -17.280 -6.098 797 1HZ LYS 50 1HZ LYS 50 5.908 -18.642 -4.908 798 2HZ LYS 50 2HZ LYS 50 6.083 -17.315 -3.876 799 3HZ LYS 50 3HZ LYS 50 7.272 -17.652 -5.030 800 H THR 51 H THR 51 6.271 -11.331 -8.790 801 HA THR 51 HA THR 51 5.677 -9.750 -6.380 802 HB THR 51 HB THR 51 7.050 -8.901 -8.936 803 HG1 THR 51 1HG THR 51 8.498 -9.966 -7.693 804 1HG2 THR 51 1HG2 THR 51 5.596 -7.214 -7.408 805 2HG2 THR 51 2HG2 THR 51 7.027 -6.751 -8.328 806 3HG2 THR 51 3HG2 THR 51 7.166 -7.124 -6.610 807 H PHE 52 H PHE 52 4.023 -8.273 -6.433 808 HA PHE 52 HA PHE 52 2.231 -8.418 -8.772 809 1HB PHE 52 2HB PHE 52 1.448 -7.857 -5.904 810 2HB PHE 52 1HB PHE 52 0.361 -8.086 -7.268 811 HD1 PHE 52 1HD PHE 52 -0.687 -10.111 -7.419 812 HD2 PHE 52 2HD PHE 52 3.143 -9.916 -5.574 813 HE1 PHE 52 1HE PHE 52 -0.817 -12.514 -6.902 814 HE2 PHE 52 2HE PHE 52 3.022 -12.317 -5.060 815 HZ PHE 52 HZ PHE 52 1.041 -13.619 -5.724 816 H THR 53 H THR 53 1.390 -6.506 -9.589 817 HA THR 53 HA THR 53 2.390 -4.037 -8.339 818 HB THR 53 HB THR 53 2.152 -3.118 -10.767 819 HG1 THR 53 1HG THR 53 2.608 -5.854 -11.316 820 1HG2 THR 53 1HG2 THR 53 4.313 -2.972 -10.194 821 2HG2 THR 53 2HG2 THR 53 4.468 -4.345 -11.296 822 3HG2 THR 53 3HG2 THR 53 4.372 -4.619 -9.556 823 H VAL 54 H VAL 54 0.921 -2.690 -7.655 824 HA VAL 54 HA VAL 54 -1.851 -2.994 -8.584 825 HB VAL 54 HB VAL 54 -0.829 -1.567 -6.116 826 1HG1 VAL 54 1HG1 VAL 54 -3.636 -2.401 -6.246 827 2HG1 VAL 54 2HG1 VAL 54 -3.196 -1.147 -7.405 828 3HG1 VAL 54 3HG1 VAL 54 -2.922 -0.889 -5.682 829 1HG2 VAL 54 1HG2 VAL 54 -2.257 -3.644 -5.170 830 2HG2 VAL 54 2HG2 VAL 54 -0.511 -3.690 -5.420 831 3HG2 VAL 54 3HG2 VAL 54 -1.594 -4.368 -6.636 832 H THR 55 H THR 55 -2.239 -1.670 -10.257 833 HA THR 55 HA THR 55 -1.016 0.986 -10.255 834 HB THR 55 HB THR 55 -2.524 -0.332 -12.509 835 HG1 THR 55 1HG THR 55 0.281 -0.234 -12.104 836 1HG2 THR 55 1HG2 THR 55 -1.074 1.196 -13.879 837 2HG2 THR 55 2HG2 THR 55 -0.665 2.023 -12.375 838 3HG2 THR 55 3HG2 THR 55 -2.338 1.984 -12.935 839 H GLU 56 H GLU 56 -2.150 2.567 -9.385 840 HA GLU 56 HA GLU 56 -4.924 2.430 -8.872 841 1HB GLU 56 2HB GLU 56 -3.408 3.801 -7.528 842 2HB GLU 56 1HB GLU 56 -3.077 4.824 -8.919 843 1HG GLU 56 2HG GLU 56 -5.416 5.531 -8.955 844 2HG GLU 56 1HG GLU 56 -5.743 4.507 -7.558 Start of MODEL 4 1 1H MET 1 1HT MET 1 6.259 -19.830 2.214 2 2H MET 1 2HT MET 1 5.096 -19.060 1.257 3 3H MET 1 3HT MET 1 5.491 -18.432 2.776 4 HA MET 1 HA MET 1 7.865 -18.268 1.822 5 1HB MET 1 2HB MET 1 7.276 -19.537 -0.213 6 2HB MET 1 1HB MET 1 6.135 -18.278 -0.664 7 1HG MET 1 2HG MET 1 7.913 -16.694 -0.960 8 2HG MET 1 1HG MET 1 9.096 -17.848 -0.346 9 1HE MET 1 1HE MET 1 6.072 -18.648 -2.696 10 2HE MET 1 2HE MET 1 6.794 -18.478 -4.297 11 3HE MET 1 3HE MET 1 6.570 -17.057 -3.273 12 H GLN 2 H GLN 2 8.452 -16.093 0.865 13 HA GLN 2 HA GLN 2 6.502 -14.108 1.788 14 1HB GLN 2 2HB GLN 2 8.688 -14.028 2.890 15 2HB GLN 2 1HB GLN 2 9.483 -13.860 1.331 16 1HG GLN 2 2HG GLN 2 8.366 -11.711 0.996 17 2HG GLN 2 1HG GLN 2 7.582 -11.879 2.566 18 1HE2 GLN 2 1HE2 GLN 2 8.505 -10.730 4.089 19 2HE2 GLN 2 2HE2 GLN 2 10.187 -10.362 4.220 20 H TYR 3 H TYR 3 5.811 -12.457 0.479 21 HA TYR 3 HA TYR 3 6.758 -12.503 -2.307 22 1HB TYR 3 2HB TYR 3 3.911 -12.199 -1.331 23 2HB TYR 3 1HB TYR 3 4.425 -11.955 -2.999 24 HD1 TYR 3 1HD TYR 3 4.097 -13.720 -4.440 25 HD2 TYR 3 2HD TYR 3 4.774 -14.551 -0.323 26 HE1 TYR 3 1HE TYR 3 3.822 -16.122 -4.885 27 HE2 TYR 3 2HE TYR 3 4.500 -16.956 -0.757 28 HH TYR 3 HH TYR 3 3.413 -18.157 -3.849 29 H LYS 4 H LYS 4 6.879 -10.529 -3.373 30 HA LYS 4 HA LYS 4 6.783 -8.202 -1.571 31 1HB LYS 4 2HB LYS 4 8.958 -8.968 -2.732 32 2HB LYS 4 1HB LYS 4 8.249 -8.306 -4.197 33 1HG LYS 4 2HG LYS 4 8.121 -6.113 -3.184 34 2HG LYS 4 1HG LYS 4 8.736 -6.758 -1.661 35 1HD LYS 4 2HD LYS 4 10.775 -7.510 -2.993 36 2HD LYS 4 1HD LYS 4 10.175 -6.470 -4.286 37 1HE LYS 4 2HE LYS 4 10.911 -5.628 -1.486 38 2HE LYS 4 1HE LYS 4 11.810 -5.277 -2.961 39 1HZ LYS 4 1HZ LYS 4 9.400 -4.039 -1.918 40 2HZ LYS 4 2HZ LYS 4 9.438 -4.276 -3.592 41 3HZ LYS 4 3HZ LYS 4 10.651 -3.370 -2.839 42 H VAL 5 H VAL 5 4.920 -7.134 -1.803 43 HA VAL 5 HA VAL 5 3.652 -6.997 -4.426 44 HB VAL 5 HB VAL 5 2.620 -6.076 -1.742 45 1HG1 VAL 5 1HG1 VAL 5 1.755 -5.371 -4.306 46 2HG1 VAL 5 2HG1 VAL 5 0.895 -5.137 -2.784 47 3HG1 VAL 5 3HG1 VAL 5 0.614 -6.593 -3.740 48 1HG2 VAL 5 1HG2 VAL 5 1.128 -8.235 -2.802 49 2HG2 VAL 5 2HG2 VAL 5 2.107 -8.195 -1.336 50 3HG2 VAL 5 3HG2 VAL 5 2.834 -8.680 -2.867 51 H ILE 6 H ILE 6 4.071 -5.400 -5.693 52 HA ILE 6 HA ILE 6 5.120 -2.875 -4.658 53 HB ILE 6 HB ILE 6 4.979 -3.995 -7.459 54 1HG1 ILE 6 2HG1 ILE 6 7.335 -3.405 -5.662 55 2HG1 ILE 6 1HG1 ILE 6 6.640 -5.000 -5.913 56 1HG2 ILE 6 1HG2 ILE 6 6.665 -1.644 -7.014 57 2HG2 ILE 6 2HG2 ILE 6 4.935 -1.329 -6.904 58 3HG2 ILE 6 3HG2 ILE 6 5.607 -2.051 -8.366 59 1HD1 ILE 6 1HD1 ILE 6 8.204 -3.301 -7.805 60 2HD1 ILE 6 2HD1 ILE 6 7.127 -4.563 -8.406 61 3HD1 ILE 6 3HD1 ILE 6 8.462 -4.981 -7.333 62 H LEU 7 H LEU 7 3.996 -1.021 -4.647 63 HA LEU 7 HA LEU 7 1.315 -1.040 -5.868 64 1HB LEU 7 2HB LEU 7 2.176 0.794 -3.649 65 2HB LEU 7 1HB LEU 7 0.552 0.306 -4.098 66 HG LEU 7 HG LEU 7 2.614 -1.445 -2.772 67 1HD1 LEU 7 1HD1 LEU 7 1.577 0.350 -1.372 68 2HD1 LEU 7 2HD1 LEU 7 1.269 -1.295 -0.816 69 3HD1 LEU 7 3HD1 LEU 7 0.012 -0.403 -1.677 70 1HD2 LEU 7 1HD2 LEU 7 0.948 -3.148 -2.704 71 2HD2 LEU 7 2HD2 LEU 7 1.085 -2.606 -4.376 72 3HD2 LEU 7 3HD2 LEU 7 -0.269 -2.067 -3.382 73 H ASN 8 H ASN 8 1.451 -0.008 -7.797 74 HA ASN 8 HA ASN 8 2.993 2.498 -7.925 75 1HB ASN 8 2HB ASN 8 2.135 0.693 -10.191 76 2HB ASN 8 1HB ASN 8 3.117 2.147 -10.342 77 1HD2 ASN 8 1HD2 ASN 8 5.195 1.789 -10.526 78 2HD2 ASN 8 2HD2 ASN 8 6.060 0.441 -9.878 79 H GLY 9 H GLY 9 1.703 4.230 -7.659 80 1HA GLY 9 2HA GLY 9 -0.922 4.182 -9.016 81 2HA GLY 9 1HA GLY 9 -0.607 5.068 -7.533 82 H LYS 10 H LYS 10 -1.601 6.796 -8.905 83 HA LYS 10 HA LYS 10 -0.030 7.895 -11.038 84 1HB LYS 10 2HB LYS 10 -2.324 9.104 -9.480 85 2HB LYS 10 1HB LYS 10 -1.645 9.753 -10.966 86 1HG LYS 10 2HG LYS 10 -2.340 7.746 -12.167 87 2HG LYS 10 1HG LYS 10 -3.012 7.086 -10.676 88 1HD LYS 10 2HD LYS 10 -3.902 9.631 -12.034 89 2HD LYS 10 1HD LYS 10 -4.751 8.085 -12.088 90 1HE LYS 10 2HE LYS 10 -5.024 8.162 -9.650 91 2HE LYS 10 1HE LYS 10 -4.195 9.718 -9.612 92 1HZ LYS 10 1HZ LYS 10 -6.066 10.322 -11.330 93 2HZ LYS 10 2HZ LYS 10 -6.349 10.405 -9.664 94 3HZ LYS 10 3HZ LYS 10 -6.891 9.069 -10.547 95 H THR 11 H THR 11 -0.855 9.052 -7.762 96 HA THR 11 HA THR 11 1.495 10.797 -7.841 97 HB THR 11 HB THR 11 0.259 11.817 -5.813 98 HG1 THR 11 1HG THR 11 -1.934 10.526 -7.039 99 1HG2 THR 11 1HG2 THR 11 -1.585 12.435 -7.903 100 2HG2 THR 11 2HG2 THR 11 0.054 12.355 -8.551 101 3HG2 THR 11 3HG2 THR 11 -0.310 13.434 -7.204 102 H LEU 12 H LEU 12 0.864 7.796 -6.884 103 HA LEU 12 HA LEU 12 2.647 8.035 -4.584 104 1HB LEU 12 2HB LEU 12 0.396 7.911 -3.678 105 2HB LEU 12 1HB LEU 12 0.083 6.454 -4.602 106 HG LEU 12 HG LEU 12 1.679 5.213 -3.293 107 1HD1 LEU 12 1HD1 LEU 12 2.405 6.866 -1.197 108 2HD1 LEU 12 2HD1 LEU 12 2.599 7.871 -2.632 109 3HD1 LEU 12 3HD1 LEU 12 3.440 6.334 -2.523 110 1HD2 LEU 12 1HD2 LEU 12 0.182 4.874 -1.681 111 2HD2 LEU 12 2HD2 LEU 12 -0.703 6.261 -2.317 112 3HD2 LEU 12 3HD2 LEU 12 0.451 6.479 -1.002 113 H LYS 13 H LYS 13 4.120 6.470 -4.374 114 HA LYS 13 HA LYS 13 3.889 4.016 -5.926 115 1HB LYS 13 2HB LYS 13 6.338 5.774 -6.148 116 2HB LYS 13 1HB LYS 13 6.056 4.247 -6.972 117 1HG LYS 13 2HG LYS 13 5.580 5.719 -8.647 118 2HG LYS 13 1HG LYS 13 3.977 5.509 -7.940 119 1HD LYS 13 2HD LYS 13 4.297 7.553 -6.623 120 2HD LYS 13 1HD LYS 13 5.889 7.765 -7.348 121 1HE LYS 13 2HE LYS 13 4.865 7.961 -9.554 122 2HE LYS 13 1HE LYS 13 3.270 7.724 -8.843 123 1HZ LYS 13 1HZ LYS 13 4.962 10.080 -8.853 124 2HZ LYS 13 2HZ LYS 13 4.163 9.770 -7.396 125 3HZ LYS 13 3HZ LYS 13 3.274 9.957 -8.822 126 H GLY 14 H GLY 14 5.098 2.299 -5.083 127 1HA GLY 14 2HA GLY 14 7.124 2.554 -3.154 128 2HA GLY 14 1HA GLY 14 5.590 2.381 -2.318 129 H GLU 15 H GLU 15 6.770 0.452 -1.503 130 HA GLU 15 HA GLU 15 5.933 -1.852 -3.050 131 1HB GLU 15 2HB GLU 15 8.797 -1.586 -2.114 132 2HB GLU 15 1HB GLU 15 8.089 -2.969 -2.939 133 1HG GLU 15 2HG GLU 15 7.694 -1.579 -4.916 134 2HG GLU 15 1HG GLU 15 8.433 -0.209 -4.090 135 H THR 16 H THR 16 5.565 -3.677 -1.810 136 HA THR 16 HA THR 16 6.089 -3.529 1.055 137 HB THR 16 HB THR 16 3.961 -2.628 1.151 138 HG1 THR 16 1HG THR 16 3.376 -5.375 1.095 139 1HG2 THR 16 1HG2 THR 16 3.066 -4.471 -1.045 140 2HG2 THR 16 2HG2 THR 16 3.366 -2.741 -1.195 141 3HG2 THR 16 3HG2 THR 16 2.046 -3.324 -0.180 142 H THR 17 H THR 17 5.375 -5.673 2.152 143 HA THR 17 HA THR 17 5.640 -7.937 0.308 144 HB THR 17 HB THR 17 7.370 -8.942 1.805 145 HG1 THR 17 1HG THR 17 8.443 -7.529 3.219 146 1HG2 THR 17 1HG2 THR 17 9.247 -7.420 1.128 147 2HG2 THR 17 2HG2 THR 17 8.025 -6.360 0.425 148 3HG2 THR 17 3HG2 THR 17 8.222 -8.004 -0.183 149 H THR 18 H THR 18 4.137 -9.375 0.714 150 HA THR 18 HA THR 18 3.042 -9.654 3.446 151 HB THR 18 HB THR 18 1.430 -9.050 1.644 152 HG1 THR 18 1HG THR 18 0.807 -10.343 3.459 153 1HG2 THR 18 1HG2 THR 18 2.170 -11.727 0.495 154 2HG2 THR 18 2HG2 THR 18 2.344 -10.149 -0.275 155 3HG2 THR 18 3HG2 THR 18 0.738 -10.799 0.050 156 H GLU 19 H GLU 19 2.977 -11.667 4.410 157 HA GLU 19 HA GLU 19 4.621 -13.753 3.140 158 1HB GLU 19 2HB GLU 19 5.409 -13.024 5.321 159 2HB GLU 19 1HB GLU 19 3.826 -13.303 6.028 160 1HG GLU 19 2HG GLU 19 5.336 -15.071 6.645 161 2HG GLU 19 1HG GLU 19 4.068 -15.702 5.597 162 H ALA 20 H ALA 20 3.442 -15.277 2.082 163 HA ALA 20 HA ALA 20 1.159 -16.442 3.471 164 1HB ALA 20 1HB ALA 20 0.546 -14.521 1.782 165 2HB ALA 20 2HB ALA 20 -0.428 -15.987 1.894 166 3HB ALA 20 3HB ALA 20 0.751 -15.809 0.595 167 H VAL 21 H VAL 21 0.616 -18.497 2.830 168 HA VAL 21 HA VAL 21 2.623 -20.260 2.204 169 HB VAL 21 HB VAL 21 -0.277 -20.742 1.534 170 1HG1 VAL 21 1HG1 VAL 21 1.444 -22.412 0.778 171 2HG1 VAL 21 2HG1 VAL 21 0.194 -23.048 1.849 172 3HG1 VAL 21 3HG1 VAL 21 1.805 -22.699 2.480 173 1HG2 VAL 21 1HG2 VAL 21 -0.235 -21.742 3.919 174 2HG2 VAL 21 2HG2 VAL 21 -0.410 -19.996 3.724 175 3HG2 VAL 21 3HG2 VAL 21 1.155 -20.683 4.161 176 H ASP 22 H ASP 22 0.662 -18.435 -0.019 177 HA ASP 22 HA ASP 22 2.368 -19.268 -2.201 178 1HB ASP 22 2HB ASP 22 0.590 -20.056 -3.668 179 2HB ASP 22 1HB ASP 22 0.657 -21.037 -2.208 180 H ALA 23 H ALA 23 1.467 -18.220 -4.350 181 HA ALA 23 HA ALA 23 1.577 -15.450 -3.978 182 1HB ALA 23 1HB ALA 23 2.265 -15.878 -6.080 183 2HB ALA 23 2HB ALA 23 0.564 -15.636 -6.474 184 3HB ALA 23 3HB ALA 23 1.193 -17.268 -6.256 185 H ALA 24 H ALA 24 -1.175 -17.577 -4.612 186 HA ALA 24 HA ALA 24 -3.110 -15.547 -4.881 187 1HB ALA 24 1HB ALA 24 -3.160 -18.465 -4.354 188 2HB ALA 24 2HB ALA 24 -4.000 -17.523 -5.584 189 3HB ALA 24 3HB ALA 24 -4.606 -17.552 -3.928 190 H THR 25 H THR 25 -2.269 -17.560 -2.058 191 HA THR 25 HA THR 25 -3.907 -16.351 -0.190 192 HB THR 25 HB THR 25 -2.218 -17.116 1.480 193 HG1 THR 25 1HG THR 25 -0.704 -17.438 -0.848 194 1HG2 THR 25 1HG2 THR 25 -2.119 -19.535 0.762 195 2HG2 THR 25 2HG2 THR 25 -2.986 -19.030 -0.687 196 3HG2 THR 25 3HG2 THR 25 -3.721 -18.812 0.901 197 H ALA 26 H ALA 26 -0.628 -15.498 -1.222 198 HA ALA 26 HA ALA 26 -0.271 -13.281 0.472 199 1HB ALA 26 1HB ALA 26 1.685 -13.988 -0.572 200 2HB ALA 26 2HB ALA 26 1.285 -12.522 -1.468 201 3HB ALA 26 3HB ALA 26 0.916 -14.104 -2.155 202 H GLU 27 H GLU 27 -1.324 -13.455 -2.940 203 HA GLU 27 HA GLU 27 -1.937 -10.841 -3.412 204 1HB GLU 27 2HB GLU 27 -2.033 -12.554 -5.127 205 2HB GLU 27 1HB GLU 27 -3.392 -13.324 -4.326 206 1HG GLU 27 2HG GLU 27 -3.536 -10.515 -5.365 207 2HG GLU 27 1HG GLU 27 -3.886 -11.917 -6.375 208 H LYS 28 H LYS 28 -4.063 -13.312 -1.987 209 HA LYS 28 HA LYS 28 -6.277 -11.622 -1.578 210 1HB LYS 28 2HB LYS 28 -5.443 -14.106 -0.070 211 2HB LYS 28 1HB LYS 28 -7.019 -13.341 0.059 212 1HG LYS 28 2HG LYS 28 -5.825 -14.627 -2.384 213 2HG LYS 28 1HG LYS 28 -7.170 -15.226 -1.415 214 1HD LYS 28 2HD LYS 28 -7.229 -12.578 -2.853 215 2HD LYS 28 1HD LYS 28 -7.782 -14.084 -3.584 216 1HE LYS 28 2HE LYS 28 -9.688 -12.954 -2.697 217 2HE LYS 28 1HE LYS 28 -9.362 -14.351 -1.673 218 1HZ LYS 28 1HZ LYS 28 -8.936 -13.057 0.080 219 2HZ LYS 28 2HZ LYS 28 -9.757 -11.852 -0.776 220 3HZ LYS 28 3HZ LYS 28 -8.067 -11.916 -0.820 221 H VAL 29 H VAL 29 -3.542 -12.485 0.496 222 HA VAL 29 HA VAL 29 -4.331 -11.165 2.817 223 HB VAL 29 HB VAL 29 -1.538 -11.522 1.707 224 1HG1 VAL 29 1HG1 VAL 29 -2.538 -10.396 4.270 225 2HG1 VAL 29 2HG1 VAL 29 -1.143 -9.930 3.299 226 3HG1 VAL 29 3HG1 VAL 29 -1.076 -11.380 4.297 227 1HG2 VAL 29 1HG2 VAL 29 -3.308 -13.446 2.540 228 2HG2 VAL 29 2HG2 VAL 29 -2.363 -13.138 3.995 229 3HG2 VAL 29 3HG2 VAL 29 -1.553 -13.614 2.502 230 H VAL 30 H VAL 30 -2.740 -9.985 -0.084 231 HA VAL 30 HA VAL 30 -2.246 -7.355 0.844 232 HB VAL 30 HB VAL 30 -2.651 -8.324 -1.992 233 1HG1 VAL 30 1HG1 VAL 30 -2.064 -6.292 -2.759 234 2HG1 VAL 30 2HG1 VAL 30 -0.906 -6.021 -1.457 235 3HG1 VAL 30 3HG1 VAL 30 -2.624 -5.739 -1.181 236 1HG2 VAL 30 1HG2 VAL 30 0.056 -7.748 -1.009 237 2HG2 VAL 30 2HG2 VAL 30 -0.525 -9.054 -2.043 238 3HG2 VAL 30 3HG2 VAL 30 -0.719 -9.162 -0.294 239 H LYS 31 H LYS 31 -4.877 -8.782 -1.119 240 HA LYS 31 HA LYS 31 -6.399 -6.507 -1.492 241 1HB LYS 31 2HB LYS 31 -7.143 -9.391 -1.225 242 2HB LYS 31 1HB LYS 31 -8.396 -8.165 -1.370 243 1HG LYS 31 2HG LYS 31 -7.383 -7.414 -3.479 244 2HG LYS 31 1HG LYS 31 -6.194 -8.711 -3.343 245 1HD LYS 31 2HD LYS 31 -7.892 -10.380 -3.514 246 2HD LYS 31 1HD LYS 31 -9.171 -9.172 -3.369 247 1HE LYS 31 2HE LYS 31 -8.488 -8.194 -5.505 248 2HE LYS 31 1HE LYS 31 -7.200 -9.386 -5.648 249 1HZ LYS 31 1HZ LYS 31 -8.990 -11.114 -5.563 250 2HZ LYS 31 2HZ LYS 31 -8.996 -10.147 -6.951 251 3HZ LYS 31 3HZ LYS 31 -10.123 -9.867 -5.722 252 H GLN 32 H GLN 32 -6.372 -8.724 1.262 253 HA GLN 32 HA GLN 32 -8.463 -7.461 2.680 254 1HB GLN 32 2HB GLN 32 -7.323 -9.759 3.106 255 2HB GLN 32 1HB GLN 32 -6.150 -8.833 4.034 256 1HG GLN 32 2HG GLN 32 -7.762 -9.638 5.563 257 2HG GLN 32 1HG GLN 32 -8.069 -7.913 5.356 258 1HE2 GLN 32 1HE2 GLN 32 -9.985 -7.247 4.541 259 2HE2 GLN 32 2HE2 GLN 32 -11.269 -8.307 4.080 260 H PHE 33 H PHE 33 -5.003 -7.001 2.517 261 HA PHE 33 HA PHE 33 -4.544 -5.210 4.577 262 1HB PHE 33 2HB PHE 33 -2.853 -6.316 3.057 263 2HB PHE 33 1HB PHE 33 -3.267 -5.127 1.832 264 HD1 PHE 33 1HD PHE 33 -2.071 -5.387 5.338 265 HD2 PHE 33 2HD PHE 33 -2.054 -3.151 1.701 266 HE1 PHE 33 1HE PHE 33 -0.389 -3.856 6.275 267 HE2 PHE 33 2HE PHE 33 -0.373 -1.629 2.649 268 HZ PHE 33 HZ PHE 33 0.460 -1.985 4.940 269 H PHE 34 H PHE 34 -5.088 -4.395 1.179 270 HA PHE 34 HA PHE 34 -5.543 -1.620 1.661 271 1HB PHE 34 2HB PHE 34 -6.209 -3.291 -0.767 272 2HB PHE 34 1HB PHE 34 -6.195 -1.526 -0.707 273 HD1 PHE 34 1HD PHE 34 -3.875 -0.843 0.771 274 HD2 PHE 34 2HD PHE 34 -4.404 -4.006 -2.019 275 HE1 PHE 34 1HE PHE 34 -1.456 -0.863 0.346 276 HE2 PHE 34 2HE PHE 34 -1.987 -4.025 -2.462 277 HZ PHE 34 HZ PHE 34 -0.516 -2.458 -1.261 278 H ASN 35 H ASN 35 -7.668 -4.383 1.218 279 HA ASN 35 HA ASN 35 -10.130 -3.155 0.997 280 1HB ASN 35 2HB ASN 35 -9.825 -5.582 0.869 281 2HB ASN 35 1HB ASN 35 -9.401 -5.635 2.576 282 1HD2 ASN 35 1HD2 ASN 35 -11.689 -6.515 0.636 283 2HD2 ASN 35 2HD2 ASN 35 -13.102 -6.238 1.588 284 H ASP 36 H ASP 36 -8.164 -3.744 3.817 285 HA ASP 36 HA ASP 36 -10.112 -2.469 5.579 286 1HB ASP 36 2HB ASP 36 -7.514 -3.879 6.193 287 2HB ASP 36 1HB ASP 36 -8.586 -3.190 7.407 288 H ASN 37 H ASN 37 -7.102 -1.708 4.001 289 HA ASN 37 HA ASN 37 -6.475 0.468 5.800 290 1HB ASN 37 2HB ASN 37 -5.347 -0.245 3.081 291 2HB ASN 37 1HB ASN 37 -4.762 1.080 4.079 292 1HD2 ASN 37 1HD2 ASN 37 -3.622 -1.557 3.069 293 2HD2 ASN 37 2HD2 ASN 37 -2.923 -2.257 4.487 294 H GLY 38 H GLY 38 -7.735 0.079 2.545 295 1HA GLY 38 2HA GLY 38 -8.170 2.105 1.174 296 2HA GLY 38 1HA GLY 38 -9.630 1.388 1.818 297 H VAL 39 H VAL 39 -11.001 2.754 2.673 298 HA VAL 39 HA VAL 39 -10.027 5.407 3.485 299 HB VAL 39 HB VAL 39 -12.827 4.589 2.786 300 1HG1 VAL 39 1HG1 VAL 39 -12.840 7.159 2.253 301 2HG1 VAL 39 2HG1 VAL 39 -11.494 7.187 3.390 302 3HG1 VAL 39 3HG1 VAL 39 -13.070 6.583 3.904 303 1HG2 VAL 39 1HG2 VAL 39 -12.457 5.455 0.572 304 2HG2 VAL 39 2HG2 VAL 39 -11.241 4.225 0.912 305 3HG2 VAL 39 3HG2 VAL 39 -10.812 5.934 0.993 306 H ASP 40 H ASP 40 -10.863 2.652 5.141 307 HA ASP 40 HA ASP 40 -12.053 4.261 7.293 308 1HB ASP 40 2HB ASP 40 -12.712 1.399 6.570 309 2HB ASP 40 1HB ASP 40 -13.323 2.254 7.985 310 H GLY 41 H GLY 41 -9.245 3.040 6.518 311 1HA GLY 41 2HA GLY 41 -8.696 1.295 8.741 312 2HA GLY 41 1HA GLY 41 -7.524 1.930 7.600 313 H GLU 42 H GLU 42 -6.782 1.736 10.164 314 HA GLU 42 HA GLU 42 -7.151 4.334 11.452 315 1HB GLU 42 2HB GLU 42 -5.656 1.873 12.386 316 2HB GLU 42 1HB GLU 42 -5.909 3.333 13.333 317 1HG GLU 42 2HG GLU 42 -8.321 2.953 13.275 318 2HG GLU 42 1HG GLU 42 -8.065 1.486 12.331 319 H TRP 43 H TRP 43 -5.951 5.817 10.361 320 HA TRP 43 HA TRP 43 -3.186 5.174 9.673 321 1HB TRP 43 2HB TRP 43 -4.928 7.520 8.929 322 2HB TRP 43 1HB TRP 43 -3.274 7.282 8.379 323 HD1 TRP 43 HD TRP 43 -5.709 4.319 8.458 324 HE1 TRP 43 1HE TRP 43 -6.183 3.607 6.028 325 HE3 TRP 43 3HE TRP 43 -3.367 8.144 6.022 326 HZ2 TRP 43 2HZ TRP 43 -5.633 4.543 3.429 327 HZ3 TRP 43 3HZ TRP 43 -3.388 8.166 3.567 328 HH2 TRP 43 HH TRP 43 -4.496 6.399 2.296 329 H THR 44 H THR 44 -1.564 5.782 10.925 330 HA THR 44 HA THR 44 -1.929 8.096 12.710 331 HB THR 44 HB THR 44 -0.074 7.112 14.050 332 HG1 THR 44 1HG THR 44 -0.376 4.893 12.312 333 1HG2 THR 44 1HG2 THR 44 -2.241 5.071 13.657 334 2HG2 THR 44 2HG2 THR 44 -2.453 6.564 14.573 335 3HG2 THR 44 3HG2 THR 44 -1.274 5.364 15.102 336 H TYR 45 H TYR 45 -0.487 9.794 12.563 337 HA TYR 45 HA TYR 45 1.509 9.579 10.404 338 1HB TYR 45 2HB TYR 45 -0.361 11.165 10.001 339 2HB TYR 45 1HB TYR 45 0.132 12.069 11.429 340 HD1 TYR 45 1HD TYR 45 2.477 10.575 8.988 341 HD2 TYR 45 2HD TYR 45 0.593 14.137 10.355 342 HE1 TYR 45 1HE TYR 45 4.006 11.908 7.601 343 HE2 TYR 45 2HE TYR 45 2.117 15.481 8.970 344 HH TYR 45 HH TYR 45 4.160 15.377 7.838 345 H ASP 46 H ASP 46 3.574 10.366 10.687 346 HA ASP 46 HA ASP 46 4.297 11.195 13.419 347 1HB ASP 46 2HB ASP 46 5.033 8.888 12.999 348 2HB ASP 46 1HB ASP 46 5.896 9.418 11.559 349 H ASP 47 H ASP 47 4.139 13.387 12.696 350 HA ASP 47 HA ASP 47 5.274 14.585 10.522 351 1HB ASP 47 2HB ASP 47 5.253 15.700 13.334 352 2HB ASP 47 1HB ASP 47 5.422 16.641 11.856 353 H ALA 48 H ALA 48 6.909 13.513 13.440 354 HA ALA 48 HA ALA 48 9.321 14.796 13.270 355 1HB ALA 48 1HB ALA 48 9.504 11.933 13.935 356 2HB ALA 48 2HB ALA 48 8.334 12.874 14.863 357 3HB ALA 48 3HB ALA 48 10.033 13.350 14.843 358 H THR 49 H THR 49 8.198 12.135 11.273 359 HA THR 49 HA THR 49 10.697 12.370 9.732 360 HB THR 49 HB THR 49 10.562 9.958 9.232 361 HG1 THR 49 1HG THR 49 8.218 9.902 9.746 362 1HG2 THR 49 1HG2 THR 49 11.619 9.250 11.101 363 2HG2 THR 49 2HG2 THR 49 10.439 9.984 12.186 364 3HG2 THR 49 3HG2 THR 49 11.664 10.986 11.408 365 H LYS 50 H LYS 50 7.730 13.325 9.524 366 HA LYS 50 HA LYS 50 6.145 13.608 7.885 367 1HB LYS 50 2HB LYS 50 8.668 13.399 6.234 368 2HB LYS 50 1HB LYS 50 7.117 13.896 5.577 369 1HG LYS 50 2HG LYS 50 8.535 15.312 7.820 370 2HG LYS 50 1HG LYS 50 8.638 15.774 6.120 371 1HD LYS 50 2HD LYS 50 6.177 16.055 6.093 372 2HD LYS 50 1HD LYS 50 6.147 15.701 7.822 373 1HE LYS 50 2HE LYS 50 7.587 17.997 6.497 374 2HE LYS 50 1HE LYS 50 6.086 18.105 7.415 375 1HZ LYS 50 1HZ LYS 50 7.621 16.943 9.216 376 2HZ LYS 50 2HZ LYS 50 7.533 18.624 9.053 377 3HZ LYS 50 3HZ LYS 50 8.822 17.775 8.363 378 H THR 51 H THR 51 6.467 10.914 8.780 379 HA THR 51 HA THR 51 5.762 9.462 6.321 380 HB THR 51 HB THR 51 7.206 8.418 8.763 381 HG1 THR 51 1HG THR 51 8.531 9.602 7.356 382 1HG2 THR 51 1HG2 THR 51 7.381 6.635 6.581 383 2HG2 THR 51 2HG2 THR 51 5.675 6.979 6.864 384 3HG2 THR 51 3HG2 THR 51 6.679 6.362 8.176 385 H PHE 52 H PHE 52 3.984 8.179 6.346 386 HA PHE 52 HA PHE 52 2.301 8.318 8.759 387 1HB PHE 52 2HB PHE 52 1.465 7.804 5.895 388 2HB PHE 52 1HB PHE 52 0.389 7.992 7.275 389 HD1 PHE 52 1HD PHE 52 -0.443 10.082 7.835 390 HD2 PHE 52 2HD PHE 52 2.956 9.799 5.289 391 HE1 PHE 52 1HE PHE 52 -0.568 12.504 7.403 392 HE2 PHE 52 2HE PHE 52 2.839 12.218 4.856 393 HZ PHE 52 HZ PHE 52 1.076 13.573 5.914 394 H THR 53 H THR 53 1.402 6.454 9.606 395 HA THR 53 HA THR 53 2.309 3.934 8.399 396 HB THR 53 HB THR 53 2.020 3.067 10.837 397 HG1 THR 53 1HG THR 53 1.830 4.509 12.328 398 1HG2 THR 53 1HG2 THR 53 4.308 4.582 9.714 399 2HG2 THR 53 2HG2 THR 53 4.168 2.873 10.127 400 3HG2 THR 53 3HG2 THR 53 4.362 4.078 11.403 401 H VAL 54 H VAL 54 0.811 2.638 7.707 402 HA VAL 54 HA VAL 54 -1.969 3.047 8.566 403 HB VAL 54 HB VAL 54 -0.915 1.444 6.222 404 1HG1 VAL 54 1HG1 VAL 54 -3.184 1.266 5.495 405 2HG1 VAL 54 2HG1 VAL 54 -3.741 2.320 6.795 406 3HG1 VAL 54 3HG1 VAL 54 -3.109 0.716 7.169 407 1HG2 VAL 54 1HG2 VAL 54 -1.672 4.288 6.535 408 2HG2 VAL 54 2HG2 VAL 54 -2.231 3.469 5.076 409 3HG2 VAL 54 3HG2 VAL 54 -0.508 3.535 5.444 410 H THR 55 H THR 55 -2.055 1.932 10.489 411 HA THR 55 HA THR 55 -0.990 -0.753 10.639 412 HB THR 55 HB THR 55 -2.614 0.666 12.743 413 HG1 THR 55 1HG THR 55 -0.783 1.915 12.120 414 1HG2 THR 55 1HG2 THR 55 -2.357 -1.560 13.396 415 2HG2 THR 55 2HG2 THR 55 -1.054 -0.703 14.219 416 3HG2 THR 55 3HG2 THR 55 -0.710 -1.646 12.767 417 H GLU 56 H GLU 56 -2.083 -2.324 9.694 418 HA GLU 56 HA GLU 56 -4.726 -2.387 8.950 419 1HB GLU 56 2HB GLU 56 -3.102 -4.014 8.161 420 2HB GLU 56 1HB GLU 56 -2.953 -4.692 9.776 421 1HG GLU 56 2HG GLU 56 -4.316 -6.109 8.370 422 2HG GLU 56 1HG GLU 56 -5.275 -5.434 9.686 423 1H MET 1 1HT MET 1 6.771 19.725 -2.033 424 2H MET 1 2HT MET 1 5.575 18.984 -1.093 425 3H MET 1 3HT MET 1 5.976 18.346 -2.607 426 HA MET 1 HA MET 1 8.332 18.124 -1.619 427 1HB MET 1 2HB MET 1 7.745 19.405 0.408 428 2HB MET 1 1HB MET 1 6.567 18.177 0.842 429 1HG MET 1 2HG MET 1 8.301 16.550 1.163 430 2HG MET 1 1HG MET 1 9.521 17.673 0.566 431 1HE MET 1 1HE MET 1 6.486 18.548 2.874 432 2HE MET 1 2HE MET 1 7.181 18.361 4.484 433 3HE MET 1 3HE MET 1 6.936 16.946 3.459 434 H GLN 2 H GLN 2 8.851 15.935 -0.654 435 HA GLN 2 HA GLN 2 6.866 13.997 -1.604 436 1HB GLN 2 2HB GLN 2 9.065 13.866 -2.675 437 2HB GLN 2 1HB GLN 2 9.834 13.678 -1.105 438 1HG GLN 2 2HG GLN 2 8.662 11.557 -0.786 439 2HG GLN 2 1HG GLN 2 7.903 11.745 -2.367 440 1HE2 GLN 2 1HE2 GLN 2 8.819 10.573 -3.877 441 2HE2 GLN 2 2HE2 GLN 2 10.494 10.164 -3.985 442 H TYR 3 H TYR 3 6.119 12.363 -0.306 443 HA TYR 3 HA TYR 3 7.026 12.389 2.494 444 1HB TYR 3 2HB TYR 3 4.186 12.152 1.478 445 2HB TYR 3 1HB TYR 3 4.670 11.898 3.153 446 HD1 TYR 3 1HD TYR 3 4.366 13.670 4.590 447 HD2 TYR 3 2HD TYR 3 5.120 14.482 0.481 448 HE1 TYR 3 1HE TYR 3 4.144 16.078 5.030 449 HE2 TYR 3 2HE TYR 3 4.898 16.895 0.912 450 HH TYR 3 HH TYR 3 3.799 18.122 3.990 451 H LYS 4 H LYS 4 7.086 10.412 3.561 452 HA LYS 4 HA LYS 4 6.956 8.088 1.758 453 1HB LYS 4 2HB LYS 4 9.134 8.800 2.948 454 2HB LYS 4 1HB LYS 4 8.389 8.156 4.404 455 1HG LYS 4 2HG LYS 4 8.222 5.966 3.389 456 2HG LYS 4 1HG LYS 4 8.874 6.597 1.875 457 1HD LYS 4 2HD LYS 4 10.913 7.299 3.237 458 2HD LYS 4 1HD LYS 4 10.269 6.274 4.520 459 1HE LYS 4 2HE LYS 4 11.023 5.414 1.730 460 2HE LYS 4 1HE LYS 4 11.893 5.042 3.217 461 1HZ LYS 4 1HZ LYS 4 9.468 3.862 2.140 462 2HZ LYS 4 2HZ LYS 4 9.488 4.099 3.815 463 3HZ LYS 4 3HZ LYS 4 10.689 3.162 3.079 464 H VAL 5 H VAL 5 5.067 7.066 1.963 465 HA VAL 5 HA VAL 5 3.759 6.960 4.568 466 HB VAL 5 HB VAL 5 2.742 6.063 1.869 467 1HG1 VAL 5 1HG1 VAL 5 1.825 5.381 4.420 468 2HG1 VAL 5 2HG1 VAL 5 0.980 5.167 2.887 469 3HG1 VAL 5 3HG1 VAL 5 0.721 6.628 3.840 470 1HG2 VAL 5 1HG2 VAL 5 1.288 8.257 2.909 471 2HG2 VAL 5 2HG2 VAL 5 2.285 8.193 1.456 472 3HG2 VAL 5 3HG2 VAL 5 3.003 8.662 2.998 473 H ILE 6 H ILE 6 4.120 5.353 5.840 474 HA ILE 6 HA ILE 6 5.122 2.804 4.819 475 HB ILE 6 HB ILE 6 4.968 3.927 7.618 476 1HG1 ILE 6 2HG1 ILE 6 7.336 3.278 5.853 477 2HG1 ILE 6 1HG1 ILE 6 6.675 4.891 6.096 478 1HG2 ILE 6 1HG2 ILE 6 6.603 1.536 7.196 479 2HG2 ILE 6 2HG2 ILE 6 4.866 1.264 7.063 480 3HG2 ILE 6 3HG2 ILE 6 5.536 1.968 8.533 481 1HD1 ILE 6 1HD1 ILE 6 8.172 3.156 8.009 482 2HD1 ILE 6 2HD1 ILE 6 7.117 4.442 8.595 483 3HD1 ILE 6 3HD1 ILE 6 8.476 4.828 7.541 484 H LEU 7 H LEU 7 3.952 0.977 4.793 485 HA LEU 7 HA LEU 7 1.256 1.061 5.975 486 1HB LEU 7 2HB LEU 7 2.103 -0.794 3.769 487 2HB LEU 7 1HB LEU 7 0.485 -0.265 4.195 488 HG LEU 7 HG LEU 7 2.609 1.434 2.898 489 1HD1 LEU 7 1HD1 LEU 7 1.548 -0.335 1.483 490 2HD1 LEU 7 2HD1 LEU 7 1.288 1.316 0.923 491 3HD1 LEU 7 3HD1 LEU 7 -0.003 0.455 1.766 492 1HD2 LEU 7 1HD2 LEU 7 0.986 3.177 2.806 493 2HD2 LEU 7 2HD2 LEU 7 1.086 2.633 4.480 494 3HD2 LEU 7 3HD2 LEU 7 -0.267 2.126 3.468 495 H ASN 8 H ASN 8 1.340 0.027 7.906 496 HA ASN 8 HA ASN 8 2.818 -2.517 8.056 497 1HB ASN 8 2HB ASN 8 1.974 -0.691 10.309 498 2HB ASN 8 1HB ASN 8 2.918 -2.170 10.474 499 1HD2 ASN 8 1HD2 ASN 8 5.001 -1.860 10.687 500 2HD2 ASN 8 2HD2 ASN 8 5.906 -0.533 10.053 501 H GLY 9 H GLY 9 1.492 -4.216 7.771 502 1HA GLY 9 2HA GLY 9 -1.150 -4.104 9.091 503 2HA GLY 9 1HA GLY 9 -0.836 -4.998 7.612 504 H LYS 10 H LYS 10 -1.891 -6.700 8.971 505 HA LYS 10 HA LYS 10 -0.378 -7.837 11.123 506 1HB LYS 10 2HB LYS 10 -2.679 -8.990 9.534 507 2HB LYS 10 1HB LYS 10 -2.037 -9.655 11.029 508 1HG LYS 10 2HG LYS 10 -2.700 -7.632 12.220 509 2HG LYS 10 1HG LYS 10 -3.335 -6.956 10.720 510 1HD LYS 10 2HD LYS 10 -4.304 -9.478 12.065 511 2HD LYS 10 1HD LYS 10 -5.115 -7.911 12.108 512 1HE LYS 10 2HE LYS 10 -5.356 -7.982 9.667 513 2HE LYS 10 1HE LYS 10 -4.566 -9.559 9.640 514 1HZ LYS 10 1HZ LYS 10 -6.474 -10.117 11.331 515 2HZ LYS 10 2HZ LYS 10 -6.735 -10.193 9.662 516 3HZ LYS 10 3HZ LYS 10 -7.258 -8.844 10.539 517 H THR 11 H THR 11 -1.183 -8.973 7.837 518 HA THR 11 HA THR 11 1.121 -10.775 7.949 519 HB THR 11 HB THR 11 -0.109 -11.766 5.905 520 HG1 THR 11 1HG THR 11 -2.288 -10.421 7.098 521 1HG2 THR 11 1HG2 THR 11 -1.998 -12.338 7.967 522 2HG2 THR 11 2HG2 THR 11 -0.367 -12.297 8.638 523 3HG2 THR 11 3HG2 THR 11 -0.738 -13.368 7.287 524 H LEU 12 H LEU 12 0.577 -7.761 6.983 525 HA LEU 12 HA LEU 12 2.387 -8.043 4.708 526 1HB LEU 12 2HB LEU 12 0.151 -7.864 3.771 527 2HB LEU 12 1HB LEU 12 -0.138 -6.399 4.692 528 HG LEU 12 HG LEU 12 1.507 -5.199 3.405 529 1HD1 LEU 12 1HD1 LEU 12 2.219 -6.871 1.319 530 2HD1 LEU 12 2HD1 LEU 12 2.369 -7.879 2.756 531 3HD1 LEU 12 3HD1 LEU 12 3.249 -6.362 2.659 532 1HD2 LEU 12 1HD2 LEU 12 0.038 -4.824 1.772 533 2HD2 LEU 12 2HD2 LEU 12 -0.889 -6.189 2.395 534 3HD2 LEU 12 3HD2 LEU 12 0.280 -6.435 1.096 535 H LYS 13 H LYS 13 3.899 -6.514 4.520 536 HA LYS 13 HA LYS 13 3.706 -4.055 6.070 537 1HB LYS 13 2HB LYS 13 6.107 -5.873 6.327 538 2HB LYS 13 1HB LYS 13 5.852 -4.340 7.146 539 1HG LYS 13 2HG LYS 13 5.316 -5.799 8.813 540 2HG LYS 13 1HG LYS 13 3.729 -5.549 8.083 541 1HD LYS 13 2HD LYS 13 4.020 -7.601 6.772 542 2HD LYS 13 1HD LYS 13 5.595 -7.852 7.520 543 1HE LYS 13 2HE LYS 13 4.535 -8.022 9.711 544 2HE LYS 13 1HE LYS 13 2.956 -7.745 8.976 545 1HZ LYS 13 1HZ LYS 13 4.589 -10.143 9.011 546 2HZ LYS 13 2HZ LYS 13 3.819 -9.814 7.542 547 3HZ LYS 13 3HZ LYS 13 2.906 -9.978 8.956 548 H GLY 14 H GLY 14 4.969 -2.369 5.245 549 1HA GLY 14 2HA GLY 14 7.014 -2.673 3.343 550 2HA GLY 14 1HA GLY 14 5.495 -2.463 2.488 551 H GLU 15 H GLU 15 6.735 -0.563 1.687 552 HA GLU 15 HA GLU 15 5.933 1.761 3.223 553 1HB GLU 15 2HB GLU 15 8.802 1.426 2.328 554 2HB GLU 15 1HB GLU 15 8.117 2.825 3.143 555 1HG GLU 15 2HG GLU 15 7.660 1.446 5.113 556 2HG GLU 15 1HG GLU 15 8.376 0.058 4.299 557 H THR 16 H THR 16 5.627 3.593 1.979 558 HA THR 16 HA THR 16 6.188 3.432 -0.878 559 HB THR 16 HB THR 16 4.041 2.582 -1.004 560 HG1 THR 16 1HG THR 16 3.522 5.343 -0.957 561 1HG2 THR 16 1HG2 THR 16 3.158 4.448 1.178 562 2HG2 THR 16 2HG2 THR 16 3.415 2.712 1.333 563 3HG2 THR 16 3HG2 THR 16 2.124 3.325 0.299 564 H THR 17 H THR 17 5.541 5.593 -1.985 565 HA THR 17 HA THR 17 5.835 7.851 -0.138 566 HB THR 17 HB THR 17 7.609 8.814 -1.609 567 HG1 THR 17 1HG THR 17 8.668 7.374 -3.010 568 1HG2 THR 17 1HG2 THR 17 9.439 7.246 -0.908 569 2HG2 THR 17 2HG2 THR 17 8.183 6.216 -0.221 570 3HG2 THR 17 3HG2 THR 17 8.410 7.855 0.390 571 H THR 18 H THR 18 4.374 9.324 -0.564 572 HA THR 18 HA THR 18 3.325 9.630 -3.312 573 HB THR 18 HB THR 18 1.673 9.064 -1.532 574 HG1 THR 18 1HG THR 18 1.107 10.371 -3.357 575 1HG2 THR 18 1HG2 THR 18 2.463 11.723 -0.372 576 2HG2 THR 18 2HG2 THR 18 2.586 10.142 0.400 577 3HG2 THR 18 3HG2 THR 18 1.001 10.831 0.052 578 H GLU 19 H GLU 19 3.324 11.644 -4.276 579 HA GLU 19 HA GLU 19 4.998 13.689 -2.984 580 1HB GLU 19 2HB GLU 19 5.799 12.939 -5.154 581 2HB GLU 19 1HB GLU 19 4.233 13.257 -5.882 582 1HG GLU 19 2HG GLU 19 5.794 14.989 -6.479 583 2HG GLU 19 1HG GLU 19 4.528 15.650 -5.448 584 H ALA 20 H ALA 20 3.841 15.241 -1.942 585 HA ALA 20 HA ALA 20 1.608 16.461 -3.362 586 1HB ALA 20 1HB ALA 20 0.922 14.556 -1.683 587 2HB ALA 20 2HB ALA 20 -0.013 16.046 -1.807 588 3HB ALA 20 3HB ALA 20 1.144 15.839 -0.493 589 H VAL 21 H VAL 21 1.106 18.529 -2.728 590 HA VAL 21 HA VAL 21 3.147 20.242 -2.073 591 HB VAL 21 HB VAL 21 0.249 20.796 -1.446 592 1HG1 VAL 21 1HG1 VAL 21 1.999 22.423 -0.665 593 2HG1 VAL 21 2HG1 VAL 21 0.782 23.088 -1.753 594 3HG1 VAL 21 3HG1 VAL 21 2.390 22.701 -2.362 595 1HG2 VAL 21 1HG2 VAL 21 0.349 21.792 -3.829 596 2HG2 VAL 21 2HG2 VAL 21 0.129 20.052 -3.637 597 3HG2 VAL 21 3HG2 VAL 21 1.717 20.701 -4.051 598 H ASP 22 H ASP 22 1.110 18.464 0.120 599 HA ASP 22 HA ASP 22 2.804 19.258 2.325 600 1HB ASP 22 2HB ASP 22 1.027 20.090 3.768 601 2HB ASP 22 1HB ASP 22 1.139 21.068 2.309 602 H ALA 23 H ALA 23 1.848 18.233 4.464 603 HA ALA 23 HA ALA 23 1.896 15.460 4.093 604 1HB ALA 23 1HB ALA 23 2.563 15.872 6.203 605 2HB ALA 23 2HB ALA 23 0.851 15.671 6.575 606 3HB ALA 23 3HB ALA 23 1.525 17.289 6.366 607 H ALA 24 H ALA 24 -0.811 17.655 4.688 608 HA ALA 24 HA ALA 24 -2.800 15.671 4.929 609 1HB ALA 24 1HB ALA 24 -2.771 18.591 4.401 610 2HB ALA 24 2HB ALA 24 -3.651 17.669 5.619 611 3HB ALA 24 3HB ALA 24 -4.233 17.712 3.955 612 H THR 25 H THR 25 -1.873 17.664 2.118 613 HA THR 25 HA THR 25 -3.512 16.492 0.227 614 HB THR 25 HB THR 25 -1.781 17.215 -1.419 615 HG1 THR 25 1HG THR 25 -0.292 17.505 0.929 616 1HG2 THR 25 1HG2 THR 25 -1.631 19.633 -0.700 617 2HG2 THR 25 2HG2 THR 25 -2.531 19.149 0.737 618 3HG2 THR 25 3HG2 THR 25 -3.250 18.950 -0.861 619 H ALA 26 H ALA 26 -0.269 15.561 1.306 620 HA ALA 26 HA ALA 26 0.058 13.335 -0.383 621 1HB ALA 26 1HB ALA 26 2.016 13.995 0.687 622 2HB ALA 26 2HB ALA 26 1.568 12.538 1.578 623 3HB ALA 26 3HB ALA 26 1.229 14.129 2.260 624 H GLU 27 H GLU 27 -1.039 13.536 3.012 625 HA GLU 27 HA GLU 27 -1.722 10.937 3.476 626 1HB GLU 27 2HB GLU 27 -1.799 12.653 5.190 627 2HB GLU 27 1HB GLU 27 -3.128 13.456 4.369 628 1HG GLU 27 2HG GLU 27 -3.355 10.651 5.405 629 2HG GLU 27 1HG GLU 27 -3.685 12.061 6.411 630 H LYS 28 H LYS 28 -3.766 13.460 2.022 631 HA LYS 28 HA LYS 28 -6.015 11.823 1.580 632 1HB LYS 28 2HB LYS 28 -5.100 14.286 0.085 633 2HB LYS 28 1HB LYS 28 -6.690 13.561 -0.065 634 1HG LYS 28 2HG LYS 28 -5.500 14.816 2.395 635 2HG LYS 28 1HG LYS 28 -6.816 15.448 1.406 636 1HD LYS 28 2HD LYS 28 -6.962 12.804 2.841 637 2HD LYS 28 1HD LYS 28 -7.488 14.324 3.566 638 1HE LYS 28 2HE LYS 28 -9.409 13.238 2.651 639 2HE LYS 28 1HE LYS 28 -9.036 14.627 1.633 640 1HZ LYS 28 1HZ LYS 28 -8.615 13.322 -0.115 641 2HZ LYS 28 2HZ LYS 28 -9.476 12.137 0.728 642 3HZ LYS 28 3HZ LYS 28 -7.787 12.162 0.797 643 H VAL 29 H VAL 29 -3.231 12.621 -0.456 644 HA VAL 29 HA VAL 29 -4.019 11.318 -2.788 645 HB VAL 29 HB VAL 29 -1.234 11.608 -1.638 646 1HG1 VAL 29 1HG1 VAL 29 -2.225 10.504 -4.213 647 2HG1 VAL 29 2HG1 VAL 29 -0.855 10.005 -3.222 648 3HG1 VAL 29 3HG1 VAL 29 -0.739 11.453 -4.222 649 1HG2 VAL 29 1HG2 VAL 29 -2.944 13.576 -2.495 650 2HG2 VAL 29 2HG2 VAL 29 -1.986 13.242 -3.937 651 3HG2 VAL 29 3HG2 VAL 29 -1.186 13.699 -2.432 652 H VAL 30 H VAL 30 -2.498 10.101 0.136 653 HA VAL 30 HA VAL 30 -2.055 7.460 -0.785 654 HB VAL 30 HB VAL 30 -2.478 8.439 2.044 655 1HG1 VAL 30 1HG1 VAL 30 -1.951 6.393 2.820 656 2HG1 VAL 30 2HG1 VAL 30 -0.781 6.095 1.535 657 3HG1 VAL 30 3HG1 VAL 30 -2.501 5.854 1.234 658 1HG2 VAL 30 1HG2 VAL 30 0.229 7.797 1.100 659 2HG2 VAL 30 2HG2 VAL 30 -0.335 9.117 2.126 660 3HG2 VAL 30 3HG2 VAL 30 -0.500 9.230 0.374 661 H LYS 31 H LYS 31 -4.678 8.950 1.143 662 HA LYS 31 HA LYS 31 -6.260 6.713 1.492 663 1HB LYS 31 2HB LYS 31 -6.929 9.614 1.217 664 2HB LYS 31 1HB LYS 31 -8.214 8.420 1.344 665 1HG LYS 31 2HG LYS 31 -7.248 7.645 3.466 666 2HG LYS 31 1HG LYS 31 -6.027 8.913 3.347 667 1HD LYS 31 2HD LYS 31 -7.685 10.623 3.494 668 2HD LYS 31 1HD LYS 31 -8.992 9.446 3.330 669 1HE LYS 31 2HE LYS 31 -8.364 8.451 5.476 670 2HE LYS 31 1HE LYS 31 -7.049 9.613 5.639 671 1HZ LYS 31 1HZ LYS 31 -8.796 11.383 5.526 672 2HZ LYS 31 2HZ LYS 31 -8.845 10.419 6.914 673 3HZ LYS 31 3HZ LYS 31 -9.960 10.165 5.668 674 H GLN 32 H GLN 32 -6.141 8.929 -1.262 675 HA GLN 32 HA GLN 32 -8.240 7.716 -2.709 676 1HB GLN 32 2HB GLN 32 -7.040 9.986 -3.119 677 2HB GLN 32 1HB GLN 32 -5.877 9.030 -4.031 678 1HG GLN 32 2HG GLN 32 -7.447 9.877 -5.580 679 2HG GLN 32 1HG GLN 32 -7.797 8.159 -5.381 680 1HE2 GLN 32 1HE2 GLN 32 -9.741 7.539 -4.592 681 2HE2 GLN 32 2HE2 GLN 32 -11.006 8.630 -4.148 682 H PHE 33 H PHE 33 -4.794 7.172 -2.496 683 HA PHE 33 HA PHE 33 -4.351 5.371 -4.551 684 1HB PHE 33 2HB PHE 33 -2.655 6.435 -3.007 685 2HB PHE 33 1HB PHE 33 -3.116 5.256 -1.788 686 HD1 PHE 33 1HD PHE 33 -1.865 5.487 -5.277 687 HD2 PHE 33 2HD PHE 33 -1.955 3.251 -1.640 688 HE1 PHE 33 1HE PHE 33 -0.205 3.915 -6.190 689 HE2 PHE 33 2HE PHE 33 -0.297 1.688 -2.565 690 HZ PHE 33 HZ PHE 33 0.578 2.025 -4.844 691 H PHE 34 H PHE 34 -4.964 4.570 -1.162 692 HA PHE 34 HA PHE 34 -5.477 1.805 -1.649 693 1HB PHE 34 2HB PHE 34 -6.137 3.494 0.768 694 2HB PHE 34 1HB PHE 34 -6.165 1.729 0.709 695 HD1 PHE 34 1HD PHE 34 -3.842 0.990 -0.737 696 HD2 PHE 34 2HD PHE 34 -4.333 4.165 2.046 697 HE1 PHE 34 1HE PHE 34 -1.430 0.950 -0.276 698 HE2 PHE 34 2HE PHE 34 -1.923 4.124 2.523 699 HZ PHE 34 HZ PHE 34 -0.474 2.523 1.344 700 H ASN 35 H ASN 35 -7.540 4.620 -1.238 701 HA ASN 35 HA ASN 35 -10.036 3.452 -1.050 702 1HB ASN 35 2HB ASN 35 -9.672 5.870 -0.917 703 2HB ASN 35 1HB ASN 35 -9.223 5.912 -2.618 704 1HD2 ASN 35 1HD2 ASN 35 -11.516 6.847 -0.707 705 2HD2 ASN 35 2HD2 ASN 35 -12.922 6.607 -1.682 706 H ASP 36 H ASP 36 -8.015 3.994 -3.842 707 HA ASP 36 HA ASP 36 -9.969 2.768 -5.632 708 1HB ASP 36 2HB ASP 36 -7.329 4.112 -6.210 709 2HB ASP 36 1HB ASP 36 -8.401 3.449 -7.439 710 H ASN 37 H ASN 37 -7.000 1.932 -4.011 711 HA ASN 37 HA ASN 37 -6.402 -0.261 -5.800 712 1HB ASN 37 2HB ASN 37 -5.297 0.428 -3.067 713 2HB ASN 37 1HB ASN 37 -4.730 -0.914 -4.054 714 1HD2 ASN 37 1HD2 ASN 37 -3.540 1.695 -3.029 715 2HD2 ASN 37 2HD2 ASN 37 -2.805 2.379 -4.436 716 H GLY 38 H GLY 38 -7.697 0.161 -2.563 717 1HA GLY 38 2HA GLY 38 -8.201 -1.855 -1.200 718 2HA GLY 38 1HA GLY 38 -9.635 -1.101 -1.862 719 H VAL 39 H VAL 39 -11.027 -2.432 -2.740 720 HA VAL 39 HA VAL 39 -10.104 -5.109 -3.538 721 HB VAL 39 HB VAL 39 -12.893 -4.222 -2.877 722 1HG1 VAL 39 1HG1 VAL 39 -12.976 -6.788 -2.340 723 2HG1 VAL 39 2HG1 VAL 39 -11.616 -6.854 -3.462 724 3HG1 VAL 39 3HG1 VAL 39 -13.171 -6.212 -3.996 725 1HG2 VAL 39 1HG2 VAL 39 -12.573 -5.098 -0.661 726 2HG2 VAL 39 2HG2 VAL 39 -11.323 -3.897 -0.984 727 3HG2 VAL 39 3HG2 VAL 39 -10.936 -5.616 -1.060 728 H ASP 40 H ASP 40 -10.856 -2.335 -5.207 729 HA ASP 40 HA ASP 40 -12.050 -3.916 -7.375 730 1HB ASP 40 2HB ASP 40 -12.645 -1.040 -6.660 731 2HB ASP 40 1HB ASP 40 -13.260 -1.876 -8.084 732 H GLY 41 H GLY 41 -9.225 -2.764 -6.561 733 1HA GLY 41 2HA GLY 41 -8.600 -1.033 -8.775 734 2HA GLY 41 1HA GLY 41 -7.461 -1.696 -7.617 735 H GLU 42 H GLU 42 -6.680 -1.520 -10.169 736 HA GLU 42 HA GLU 42 -7.092 -4.109 -11.463 737 1HB GLU 42 2HB GLU 42 -5.525 -1.684 -12.374 738 2HB GLU 42 1HB GLU 42 -5.799 -3.136 -13.326 739 1HG GLU 42 2HG GLU 42 -8.203 -2.699 -13.301 740 2HG GLU 42 1HG GLU 42 -7.923 -1.239 -12.354 741 H TRP 43 H TRP 43 -5.942 -5.619 -10.355 742 HA TRP 43 HA TRP 43 -3.172 -5.042 -9.628 743 1HB TRP 43 2HB TRP 43 -4.985 -7.346 -8.910 744 2HB TRP 43 1HB TRP 43 -3.333 -7.151 -8.338 745 HD1 TRP 43 HD TRP 43 -5.693 -4.128 -8.449 746 HE1 TRP 43 1HE TRP 43 -6.183 -3.405 -6.024 747 HE3 TRP 43 3HE TRP 43 -3.479 -8.008 -5.978 748 HZ2 TRP 43 2HZ TRP 43 -5.694 -4.353 -3.420 749 HZ3 TRP 43 3HZ TRP 43 -3.537 -8.030 -3.524 750 HH2 TRP 43 HH TRP 43 -4.619 -6.237 -2.270 751 H THR 44 H THR 44 -1.549 -5.693 -10.857 752 HA THR 44 HA THR 44 -1.946 -7.996 -12.649 753 HB THR 44 HB THR 44 -0.048 -7.059 -13.961 754 HG1 THR 44 1HG THR 44 -0.321 -4.833 -12.227 755 1HG2 THR 44 1HG2 THR 44 -2.170 -4.966 -13.600 756 2HG2 THR 44 2HG2 THR 44 -2.405 -6.452 -14.519 757 3HG2 THR 44 3HG2 THR 44 -1.190 -5.282 -15.031 758 H TYR 45 H TYR 45 -0.545 -9.728 -12.482 759 HA TYR 45 HA TYR 45 1.423 -9.562 -10.295 760 1HB TYR 45 2HB TYR 45 -0.491 -11.102 -9.918 761 2HB TYR 45 1HB TYR 45 0.001 -12.018 -11.337 762 HD1 TYR 45 1HD TYR 45 2.346 -10.580 -8.864 763 HD2 TYR 45 2HD TYR 45 0.395 -14.096 -10.257 764 HE1 TYR 45 1HE TYR 45 3.822 -11.952 -7.455 765 HE2 TYR 45 2HE TYR 45 1.868 -15.476 -8.852 766 HH TYR 45 HH TYR 45 3.894 -15.423 -7.692 767 H ASP 46 H ASP 46 3.473 -10.400 -10.547 768 HA ASP 46 HA ASP 46 4.213 -11.244 -13.270 769 1HB ASP 46 2HB ASP 46 5.000 -8.956 -12.838 770 2HB ASP 46 1HB ASP 46 5.829 -9.509 -11.386 771 H ASP 47 H ASP 47 3.989 -13.433 -12.550 772 HA ASP 47 HA ASP 47 5.066 -14.657 -10.360 773 1HB ASP 47 2HB ASP 47 5.057 -15.775 -13.172 774 2HB ASP 47 1HB ASP 47 5.183 -16.716 -11.690 775 H ALA 48 H ALA 48 6.769 -13.626 -13.253 776 HA ALA 48 HA ALA 48 9.145 -14.967 -13.049 777 1HB ALA 48 1HB ALA 48 9.407 -12.110 -13.713 778 2HB ALA 48 2HB ALA 48 8.229 -13.023 -14.655 779 3HB ALA 48 3HB ALA 48 9.914 -13.540 -14.612 780 H THR 49 H THR 49 8.060 -12.281 -11.066 781 HA THR 49 HA THR 49 10.529 -12.576 -9.491 782 HB THR 49 HB THR 49 10.446 -10.160 -8.993 783 HG1 THR 49 1HG THR 49 8.112 -10.049 -9.540 784 1HG2 THR 49 1HG2 THR 49 11.546 -9.478 -10.847 785 2HG2 THR 49 2HG2 THR 49 10.364 -10.185 -11.949 786 3HG2 THR 49 3HG2 THR 49 11.552 -11.215 -11.154 787 H LYS 50 H LYS 50 7.537 -13.457 -9.327 788 HA LYS 50 HA LYS 50 5.924 -13.703 -7.710 789 1HB LYS 50 2HB LYS 50 8.427 -13.553 -6.026 790 2HB LYS 50 1HB LYS 50 6.853 -14.012 -5.390 791 1HG LYS 50 2HG LYS 50 8.271 -15.463 -7.612 792 2HG LYS 50 1HG LYS 50 8.337 -15.926 -5.910 793 1HD LYS 50 2HD LYS 50 5.870 -16.148 -5.919 794 2HD LYS 50 1HD LYS 50 5.874 -15.795 -7.648 795 1HE LYS 50 2HE LYS 50 7.240 -18.124 -6.303 796 2HE LYS 50 1HE LYS 50 5.749 -18.196 -7.242 797 1HZ LYS 50 1HZ LYS 50 7.338 -17.072 -9.020 798 2HZ LYS 50 2HZ LYS 50 7.205 -18.751 -8.860 799 3HZ LYS 50 3HZ LYS 50 8.506 -17.933 -8.150 800 H THR 51 H THR 51 6.322 -11.017 -8.599 801 HA THR 51 HA THR 51 5.619 -9.547 -6.150 802 HB THR 51 HB THR 51 7.123 -8.539 -8.571 803 HG1 THR 51 1HG THR 51 8.398 -9.756 -7.146 804 1HG2 THR 51 1HG2 THR 51 7.309 -6.761 -6.388 805 2HG2 THR 51 2HG2 THR 51 5.600 -7.064 -6.694 806 3HG2 THR 51 3HG2 THR 51 6.637 -6.471 -7.993 807 H PHE 52 H PHE 52 3.873 -8.222 -6.201 808 HA PHE 52 HA PHE 52 2.223 -8.321 -8.638 809 1HB PHE 52 2HB PHE 52 1.358 -7.787 -5.786 810 2HB PHE 52 1HB PHE 52 0.297 -7.948 -7.180 811 HD1 PHE 52 1HD PHE 52 -0.577 -10.018 -7.752 812 HD2 PHE 52 2HD PHE 52 2.792 -9.816 -5.159 813 HE1 PHE 52 1HE PHE 52 -0.765 -12.434 -7.322 814 HE2 PHE 52 2HE PHE 52 2.610 -12.232 -4.727 815 HZ PHE 52 HZ PHE 52 0.830 -13.544 -5.810 816 H THR 53 H THR 53 1.381 -6.436 -9.498 817 HA THR 53 HA THR 53 2.332 -3.939 -8.277 818 HB THR 53 HB THR 53 2.098 -3.064 -10.718 819 HG1 THR 53 1HG THR 53 1.895 -4.503 -12.212 820 1HG2 THR 53 1HG2 THR 53 4.332 -4.635 -9.564 821 2HG2 THR 53 2HG2 THR 53 4.240 -2.923 -9.980 822 3HG2 THR 53 3HG2 THR 53 4.421 -4.133 -11.252 823 H VAL 54 H VAL 54 0.855 -2.605 -7.606 824 HA VAL 54 HA VAL 54 -1.919 -2.947 -8.503 825 HB VAL 54 HB VAL 54 -0.863 -1.370 -6.145 826 1HG1 VAL 54 1HG1 VAL 54 -3.137 -1.137 -5.451 827 2HG1 VAL 54 2HG1 VAL 54 -3.699 -2.177 -6.758 828 3HG1 VAL 54 3HG1 VAL 54 -3.025 -0.590 -7.123 829 1HG2 VAL 54 1HG2 VAL 54 -1.683 -4.195 -6.469 830 2HG2 VAL 54 2HG2 VAL 54 -2.243 -3.363 -5.019 831 3HG2 VAL 54 3HG2 VAL 54 -0.518 -3.471 -5.362 832 H THR 55 H THR 55 -1.951 -1.831 -10.427 833 HA THR 55 HA THR 55 -0.821 0.828 -10.562 834 HB THR 55 HB THR 55 -2.448 -0.553 -12.688 835 HG1 THR 55 1HG THR 55 -0.658 -1.847 -12.041 836 1HG2 THR 55 1HG2 THR 55 -2.127 1.667 -13.338 837 2HG2 THR 55 2HG2 THR 55 -0.836 0.776 -14.144 838 3HG2 THR 55 3HG2 THR 55 -0.488 1.712 -12.688 839 H GLU 56 H GLU 56 -1.889 2.425 -9.632 840 HA GLU 56 HA GLU 56 -4.540 2.552 -8.925 841 1HB GLU 56 2HB GLU 56 -2.889 4.140 -8.114 842 2HB GLU 56 1HB GLU 56 -2.701 4.814 -9.726 843 1HG GLU 56 2HG GLU 56 -4.050 6.264 -8.338 844 2HG GLU 56 1HG GLU 56 -5.005 5.610 -9.670 Start of MODEL 5 1 1H MET 1 1HT MET 1 7.073 -18.504 3.667 2 2H MET 1 2HT MET 1 6.278 -19.752 2.847 3 3H MET 1 3HT MET 1 5.439 -18.344 3.262 4 HA MET 1 HA MET 1 7.801 -18.223 1.510 5 1HB MET 1 2HB MET 1 5.988 -19.907 0.761 6 2HB MET 1 1HB MET 1 4.978 -18.497 0.494 7 1HG MET 1 2HG MET 1 6.430 -17.663 -1.181 8 2HG MET 1 1HG MET 1 7.675 -18.846 -0.779 9 1HE MET 1 1HE MET 1 6.485 -19.940 -4.362 10 2HE MET 1 2HE MET 1 7.907 -19.685 -3.349 11 3HE MET 1 3HE MET 1 6.814 -18.345 -3.689 12 H GLN 2 H GLN 2 8.181 -16.165 0.890 13 HA GLN 2 HA GLN 2 6.159 -14.152 1.618 14 1HB GLN 2 2HB GLN 2 8.228 -13.967 2.910 15 2HB GLN 2 1HB GLN 2 9.161 -13.861 1.424 16 1HG GLN 2 2HG GLN 2 8.043 -11.763 0.867 17 2HG GLN 2 1HG GLN 2 7.105 -11.869 2.353 18 1HE2 GLN 2 1HE2 GLN 2 10.079 -13.087 3.085 19 2HE2 GLN 2 2HE2 GLN 2 10.837 -11.651 3.667 20 H TYR 3 H TYR 3 5.759 -12.419 0.235 21 HA TYR 3 HA TYR 3 6.850 -12.650 -2.484 22 1HB TYR 3 2HB TYR 3 3.949 -12.204 -1.751 23 2HB TYR 3 1HB TYR 3 4.603 -12.099 -3.381 24 HD1 TYR 3 1HD TYR 3 4.379 -13.947 -4.735 25 HD2 TYR 3 2HD TYR 3 4.541 -14.510 -0.520 26 HE1 TYR 3 1HE TYR 3 3.996 -16.353 -5.048 27 HE2 TYR 3 2HE TYR 3 4.163 -16.924 -0.822 28 HH TYR 3 HH TYR 3 3.381 -18.282 -3.957 29 H LYS 4 H LYS 4 6.984 -10.711 -3.657 30 HA LYS 4 HA LYS 4 7.039 -8.323 -1.963 31 1HB LYS 4 2HB LYS 4 9.114 -8.887 -3.124 32 2HB LYS 4 1HB LYS 4 8.277 -8.865 -4.669 33 1HG LYS 4 2HG LYS 4 9.503 -6.835 -4.449 34 2HG LYS 4 1HG LYS 4 7.787 -6.456 -4.303 35 1HD LYS 4 2HD LYS 4 9.046 -5.230 -2.639 36 2HD LYS 4 1HD LYS 4 8.031 -6.437 -1.849 37 1HE LYS 4 2HE LYS 4 9.932 -7.916 -1.595 38 2HE LYS 4 1HE LYS 4 10.958 -6.789 -2.481 39 1HZ LYS 4 1HZ LYS 4 9.644 -5.575 -0.239 40 2HZ LYS 4 2HZ LYS 4 11.281 -5.570 -0.662 41 3HZ LYS 4 3HZ LYS 4 10.641 -6.865 0.216 42 H VAL 5 H VAL 5 5.183 -7.203 -2.006 43 HA VAL 5 HA VAL 5 3.662 -7.057 -4.501 44 HB VAL 5 HB VAL 5 2.891 -6.082 -1.745 45 1HG1 VAL 5 1HG1 VAL 5 1.644 -4.812 -3.268 46 2HG1 VAL 5 2HG1 VAL 5 0.570 -6.141 -2.827 47 3HG1 VAL 5 3HG1 VAL 5 1.430 -6.176 -4.366 48 1HG2 VAL 5 1HG2 VAL 5 3.091 -8.692 -2.577 49 2HG2 VAL 5 2HG2 VAL 5 1.395 -8.314 -2.875 50 3HG2 VAL 5 3HG2 VAL 5 2.075 -8.107 -1.262 51 H ILE 6 H ILE 6 3.674 -5.309 -5.748 52 HA ILE 6 HA ILE 6 5.003 -2.885 -4.746 53 HB ILE 6 HB ILE 6 4.686 -3.942 -7.556 54 1HG1 ILE 6 2HG1 ILE 6 7.133 -3.465 -5.842 55 2HG1 ILE 6 1HG1 ILE 6 6.420 -5.034 -6.198 56 1HG2 ILE 6 1HG2 ILE 6 4.657 -1.760 -8.112 57 2HG2 ILE 6 2HG2 ILE 6 6.395 -1.891 -7.848 58 3HG2 ILE 6 3HG2 ILE 6 5.357 -1.244 -6.578 59 1HD1 ILE 6 1HD1 ILE 6 8.095 -3.283 -7.879 60 2HD1 ILE 6 2HD1 ILE 6 6.811 -4.179 -8.691 61 3HD1 ILE 6 3HD1 ILE 6 8.039 -5.041 -7.767 62 H LEU 7 H LEU 7 3.865 -1.064 -4.533 63 HA LEU 7 HA LEU 7 1.160 -0.978 -5.686 64 1HB LEU 7 2HB LEU 7 2.153 0.823 -3.493 65 2HB LEU 7 1HB LEU 7 0.501 0.370 -3.879 66 HG LEU 7 HG LEU 7 2.581 -1.421 -2.638 67 1HD1 LEU 7 1HD1 LEU 7 1.615 0.374 -1.193 68 2HD1 LEU 7 2HD1 LEU 7 1.294 -1.269 -0.642 69 3HD1 LEU 7 3HD1 LEU 7 0.028 -0.349 -1.457 70 1HD2 LEU 7 1HD2 LEU 7 0.986 -2.550 -4.203 71 2HD2 LEU 7 2HD2 LEU 7 -0.327 -2.007 -3.160 72 3HD2 LEU 7 3HD2 LEU 7 0.903 -3.107 -2.533 73 H ASN 8 H ASN 8 1.547 -0.110 -7.690 74 HA ASN 8 HA ASN 8 3.030 2.420 -7.842 75 1HB ASN 8 2HB ASN 8 2.229 0.432 -9.967 76 2HB ASN 8 1HB ASN 8 2.937 1.999 -10.337 77 1HD2 ASN 8 1HD2 ASN 8 4.331 1.136 -7.512 78 2HD2 ASN 8 2HD2 ASN 8 5.733 0.336 -8.112 79 H GLY 9 H GLY 9 1.753 4.159 -7.563 80 1HA GLY 9 2HA GLY 9 -0.861 4.158 -8.947 81 2HA GLY 9 1HA GLY 9 -0.532 5.059 -7.477 82 H LYS 10 H LYS 10 -1.491 6.771 -8.918 83 HA LYS 10 HA LYS 10 0.182 7.806 -11.012 84 1HB LYS 10 2HB LYS 10 -2.197 9.047 -9.616 85 2HB LYS 10 1HB LYS 10 -1.439 9.663 -11.077 86 1HG LYS 10 2HG LYS 10 -2.057 7.615 -12.261 87 2HG LYS 10 1HG LYS 10 -2.821 7.003 -10.792 88 1HD LYS 10 2HD LYS 10 -4.377 8.898 -10.817 89 2HD LYS 10 1HD LYS 10 -3.615 9.499 -12.292 90 1HE LYS 10 2HE LYS 10 -5.023 6.850 -11.983 91 2HE LYS 10 1HE LYS 10 -5.682 8.280 -12.776 92 1HZ LYS 10 1HZ LYS 10 -3.394 7.994 -14.099 93 2HZ LYS 10 2HZ LYS 10 -4.846 7.280 -14.593 94 3HZ LYS 10 3HZ LYS 10 -3.710 6.372 -13.729 95 H THR 11 H THR 11 -0.848 9.077 -7.843 96 HA THR 11 HA THR 11 1.495 10.828 -7.819 97 HB THR 11 HB THR 11 0.157 11.816 -5.823 98 HG1 THR 11 1HG THR 11 -2.108 11.464 -6.100 99 1HG2 THR 11 1HG2 THR 11 -0.186 12.213 -8.683 100 2HG2 THR 11 2HG2 THR 11 0.007 13.391 -7.385 101 3HG2 THR 11 3HG2 THR 11 -1.583 12.709 -7.728 102 H LEU 12 H LEU 12 0.790 7.829 -6.831 103 HA LEU 12 HA LEU 12 2.541 8.070 -4.498 104 1HB LEU 12 2HB LEU 12 0.269 7.951 -3.641 105 2HB LEU 12 1HB LEU 12 -0.035 6.505 -4.583 106 HG LEU 12 HG LEU 12 1.484 5.230 -3.236 107 1HD1 LEU 12 1HD1 LEU 12 2.464 7.863 -2.541 108 2HD1 LEU 12 2HD1 LEU 12 3.269 6.304 -2.459 109 3HD1 LEU 12 3HD1 LEU 12 2.239 6.836 -1.129 110 1HD2 LEU 12 1HD2 LEU 12 -0.029 4.941 -1.631 111 2HD2 LEU 12 2HD2 LEU 12 -0.881 6.329 -2.308 112 3HD2 LEU 12 3HD2 LEU 12 0.251 6.554 -0.975 113 H LYS 13 H LYS 13 4.026 6.509 -4.289 114 HA LYS 13 HA LYS 13 3.802 4.054 -5.850 115 1HB LYS 13 2HB LYS 13 6.146 5.948 -6.105 116 2HB LYS 13 1HB LYS 13 6.071 4.333 -6.794 117 1HG LYS 13 2HG LYS 13 4.190 5.014 -8.195 118 2HG LYS 13 1HG LYS 13 4.258 6.634 -7.498 119 1HD LYS 13 2HD LYS 13 6.468 5.295 -9.058 120 2HD LYS 13 1HD LYS 13 5.375 6.532 -9.681 121 1HE LYS 13 2HE LYS 13 7.320 6.866 -7.401 122 2HE LYS 13 1HE LYS 13 7.524 7.493 -9.036 123 1HZ LYS 13 1HZ LYS 13 5.156 8.521 -8.407 124 2HZ LYS 13 2HZ LYS 13 6.619 9.321 -8.123 125 3HZ LYS 13 3HZ LYS 13 5.861 8.475 -6.869 126 H GLY 14 H GLY 14 5.019 2.328 -5.011 127 1HA GLY 14 2HA GLY 14 7.045 2.592 -3.078 128 2HA GLY 14 1HA GLY 14 5.510 2.405 -2.246 129 H GLU 15 H GLU 15 6.755 0.499 -1.438 130 HA GLU 15 HA GLU 15 6.010 -1.823 -3.040 131 1HB GLU 15 2HB GLU 15 8.767 -1.436 -1.858 132 2HB GLU 15 1HB GLU 15 8.180 -2.917 -2.600 133 1HG GLU 15 2HG GLU 15 7.926 -1.752 -4.732 134 2HG GLU 15 1HG GLU 15 8.518 -0.266 -3.986 135 H THR 16 H THR 16 5.760 -3.751 -1.814 136 HA THR 16 HA THR 16 5.986 -3.602 1.066 137 HB THR 16 HB THR 16 3.858 -2.694 1.056 138 HG1 THR 16 1HG THR 16 3.258 -5.435 0.901 139 1HG2 THR 16 1HG2 THR 16 3.148 -2.573 -1.131 140 2HG2 THR 16 2HG2 THR 16 2.011 -3.719 -0.420 141 3HG2 THR 16 3HG2 THR 16 3.353 -4.301 -1.401 142 H THR 17 H THR 17 5.226 -5.738 2.087 143 HA THR 17 HA THR 17 5.500 -7.999 0.251 144 HB THR 17 HB THR 17 7.208 -9.038 1.708 145 HG1 THR 17 1HG THR 17 7.349 -6.482 2.925 146 1HG2 THR 17 1HG2 THR 17 8.172 -6.346 0.806 147 2HG2 THR 17 2HG2 THR 17 7.853 -7.682 -0.298 148 3HG2 THR 17 3HG2 THR 17 9.092 -7.844 0.947 149 H THR 18 H THR 18 3.992 -9.435 0.654 150 HA THR 18 HA THR 18 2.860 -9.664 3.376 151 HB THR 18 HB THR 18 1.272 -9.045 1.555 152 HG1 THR 18 1HG THR 18 0.624 -10.308 3.390 153 1HG2 THR 18 1HG2 THR 18 2.062 -11.713 0.429 154 2HG2 THR 18 2HG2 THR 18 2.085 -10.141 -0.370 155 3HG2 THR 18 3HG2 THR 18 0.546 -10.905 0.032 156 H GLU 19 H GLU 19 2.753 -11.676 4.360 157 HA GLU 19 HA GLU 19 4.371 -13.787 3.103 158 1HB GLU 19 2HB GLU 19 5.152 -13.006 5.293 159 2HB GLU 19 1HB GLU 19 3.586 -13.383 5.999 160 1HG GLU 19 2HG GLU 19 5.163 -15.103 6.565 161 2HG GLU 19 1HG GLU 19 3.946 -15.759 5.469 162 H ALA 20 H ALA 20 3.237 -15.387 2.142 163 HA ALA 20 HA ALA 20 0.942 -16.496 3.541 164 1HB ALA 20 1HB ALA 20 0.568 -15.832 0.653 165 2HB ALA 20 2HB ALA 20 0.249 -14.622 1.895 166 3HB ALA 20 3HB ALA 20 -0.641 -16.144 1.899 167 H VAL 21 H VAL 21 0.375 -18.564 2.910 168 HA VAL 21 HA VAL 21 2.381 -20.343 2.331 169 HB VAL 21 HB VAL 21 -0.520 -20.797 1.637 170 1HG1 VAL 21 1HG1 VAL 21 1.146 -22.486 0.846 171 2HG1 VAL 21 2HG1 VAL 21 -0.073 -23.117 1.953 172 3HG1 VAL 21 3HG1 VAL 21 1.558 -22.783 2.534 173 1HG2 VAL 21 1HG2 VAL 21 -0.514 -21.809 4.005 174 2HG2 VAL 21 2HG2 VAL 21 -0.612 -20.054 3.840 175 3HG2 VAL 21 3HG2 VAL 21 0.921 -20.815 4.262 176 H ASP 22 H ASP 22 0.516 -18.486 0.073 177 HA ASP 22 HA ASP 22 2.263 -19.296 -2.067 178 1HB ASP 22 2HB ASP 22 0.566 -20.145 -3.593 179 2HB ASP 22 1HB ASP 22 0.621 -21.127 -2.133 180 H ALA 23 H ALA 23 1.427 -18.266 -4.235 181 HA ALA 23 HA ALA 23 1.475 -15.511 -3.887 182 1HB ALA 23 1HB ALA 23 0.278 -16.070 -6.401 183 2HB ALA 23 2HB ALA 23 1.476 -17.321 -6.068 184 3HB ALA 23 3HB ALA 23 1.949 -15.621 -6.051 185 H ALA 24 H ALA 24 -1.286 -17.642 -4.489 186 HA ALA 24 HA ALA 24 -3.206 -15.595 -4.765 187 1HB ALA 24 1HB ALA 24 -3.262 -18.511 -4.291 188 2HB ALA 24 2HB ALA 24 -4.167 -17.532 -5.445 189 3HB ALA 24 3HB ALA 24 -4.687 -17.619 -3.763 190 H THR 25 H THR 25 -2.421 -17.624 -1.926 191 HA THR 25 HA THR 25 -4.033 -16.368 -0.071 192 HB THR 25 HB THR 25 -2.343 -17.122 1.613 193 HG1 THR 25 1HG THR 25 -0.850 -17.508 -0.712 194 1HG2 THR 25 1HG2 THR 25 -2.227 -19.582 0.739 195 2HG2 THR 25 2HG2 THR 25 -3.366 -18.974 -0.462 196 3HG2 THR 25 3HG2 THR 25 -3.756 -18.870 1.254 197 H ALA 26 H ALA 26 -0.739 -15.565 -1.111 198 HA ALA 26 HA ALA 26 -0.357 -13.341 0.567 199 1HB ALA 26 1HB ALA 26 1.203 -12.612 -1.388 200 2HB ALA 26 2HB ALA 26 0.818 -14.200 -2.053 201 3HB ALA 26 3HB ALA 26 1.590 -14.070 -0.472 202 H GLU 27 H GLU 27 -1.480 -13.543 -2.819 203 HA GLU 27 HA GLU 27 -2.033 -10.888 -3.262 204 1HB GLU 27 2HB GLU 27 -2.115 -12.604 -5.003 205 2HB GLU 27 1HB GLU 27 -3.545 -13.305 -4.260 206 1HG GLU 27 2HG GLU 27 -4.791 -11.256 -4.717 207 2HG GLU 27 1HG GLU 27 -3.356 -10.551 -5.461 208 H LYS 28 H LYS 28 -4.196 -13.385 -1.928 209 HA LYS 28 HA LYS 28 -6.445 -11.754 -1.577 210 1HB LYS 28 2HB LYS 28 -5.571 -14.175 0.013 211 2HB LYS 28 1HB LYS 28 -7.176 -13.456 0.069 212 1HG LYS 28 2HG LYS 28 -5.868 -14.748 -2.313 213 2HG LYS 28 1HG LYS 28 -7.206 -15.390 -1.358 214 1HD LYS 28 2HD LYS 28 -8.591 -13.487 -2.036 215 2HD LYS 28 1HD LYS 28 -7.252 -12.857 -2.997 216 1HE LYS 28 2HE LYS 28 -7.297 -14.878 -4.379 217 2HE LYS 28 1HE LYS 28 -8.631 -15.509 -3.416 218 1HZ LYS 28 1HZ LYS 28 -9.585 -13.119 -4.150 219 2HZ LYS 28 2HZ LYS 28 -9.873 -14.552 -5.000 220 3HZ LYS 28 3HZ LYS 28 -8.645 -13.504 -5.503 221 H VAL 29 H VAL 29 -3.728 -12.468 0.566 222 HA VAL 29 HA VAL 29 -4.629 -11.151 2.852 223 HB VAL 29 HB VAL 29 -1.792 -11.423 1.832 224 1HG1 VAL 29 1HG1 VAL 29 -1.622 -9.761 3.442 225 2HG1 VAL 29 2HG1 VAL 29 -1.323 -11.233 4.365 226 3HG1 VAL 29 3HG1 VAL 29 -2.903 -10.453 4.437 227 1HG2 VAL 29 1HG2 VAL 29 -2.642 -13.076 4.084 228 2HG2 VAL 29 2HG2 VAL 29 -1.761 -13.518 2.622 229 3HG2 VAL 29 3HG2 VAL 29 -3.521 -13.412 2.593 230 H VAL 30 H VAL 30 -3.012 -9.946 -0.023 231 HA VAL 30 HA VAL 30 -2.587 -7.305 0.899 232 HB VAL 30 HB VAL 30 -3.014 -8.198 -1.955 233 1HG1 VAL 30 1HG1 VAL 30 -2.052 -6.214 -2.635 234 2HG1 VAL 30 2HG1 VAL 30 -1.249 -5.952 -1.088 235 3HG1 VAL 30 3HG1 VAL 30 -2.988 -5.697 -1.233 236 1HG2 VAL 30 1HG2 VAL 30 -1.218 -9.494 -1.577 237 2HG2 VAL 30 2HG2 VAL 30 -0.793 -8.642 -0.093 238 3HG2 VAL 30 3HG2 VAL 30 -0.321 -7.976 -1.656 239 H LYS 31 H LYS 31 -5.197 -8.790 -1.056 240 HA LYS 31 HA LYS 31 -6.759 -6.562 -1.490 241 1HB LYS 31 2HB LYS 31 -7.474 -9.446 -1.092 242 2HB LYS 31 1HB LYS 31 -8.739 -8.241 -1.282 243 1HG LYS 31 2HG LYS 31 -8.278 -9.268 -3.404 244 2HG LYS 31 1HG LYS 31 -7.754 -7.585 -3.442 245 1HD LYS 31 2HD LYS 31 -5.442 -8.359 -2.963 246 2HD LYS 31 1HD LYS 31 -6.019 -10.021 -3.094 247 1HE LYS 31 2HE LYS 31 -6.156 -7.939 -5.270 248 2HE LYS 31 1HE LYS 31 -4.976 -9.244 -5.175 249 1HZ LYS 31 1HZ LYS 31 -6.820 -9.761 -6.673 250 2HZ LYS 31 2HZ LYS 31 -7.914 -9.620 -5.390 251 3HZ LYS 31 3HZ LYS 31 -6.749 -10.847 -5.376 252 H GLN 32 H GLN 32 -6.689 -8.666 1.353 253 HA GLN 32 HA GLN 32 -8.738 -7.294 2.764 254 1HB GLN 32 2HB GLN 32 -7.992 -9.590 3.337 255 2HB GLN 32 1HB GLN 32 -6.445 -8.942 3.857 256 1HG GLN 32 2HG GLN 32 -7.794 -9.365 5.779 257 2HG GLN 32 1HG GLN 32 -7.606 -7.626 5.584 258 1HE2 GLN 32 1HE2 GLN 32 -9.752 -8.839 3.284 259 2HE2 GLN 32 2HE2 GLN 32 -11.224 -8.472 4.100 260 H PHE 33 H PHE 33 -5.250 -7.003 2.582 261 HA PHE 33 HA PHE 33 -4.727 -5.206 4.619 262 1HB PHE 33 2HB PHE 33 -3.046 -6.377 3.180 263 2HB PHE 33 1HB PHE 33 -3.437 -5.260 1.880 264 HD1 PHE 33 1HD PHE 33 -2.171 -5.396 5.357 265 HD2 PHE 33 2HD PHE 33 -2.292 -3.235 1.682 266 HE1 PHE 33 1HE PHE 33 -0.475 -3.829 6.210 267 HE2 PHE 33 2HE PHE 33 -0.596 -1.677 2.542 268 HZ PHE 33 HZ PHE 33 0.312 -1.981 4.814 269 H PHE 34 H PHE 34 -5.268 -4.424 1.217 270 HA PHE 34 HA PHE 34 -5.582 -1.623 1.694 271 1HB PHE 34 2HB PHE 34 -6.209 -3.269 -0.755 272 2HB PHE 34 1HB PHE 34 -6.203 -1.503 -0.695 273 HD1 PHE 34 1HD PHE 34 -3.939 -0.796 0.844 274 HD2 PHE 34 2HD PHE 34 -4.349 -3.994 -1.930 275 HE1 PHE 34 1HE PHE 34 -1.507 -0.805 0.503 276 HE2 PHE 34 2HE PHE 34 -1.914 -3.997 -2.286 277 HZ PHE 34 HZ PHE 34 -0.497 -2.411 -1.051 278 H ASN 35 H ASN 35 -7.835 -4.284 1.213 279 HA ASN 35 HA ASN 35 -10.233 -2.920 0.959 280 1HB ASN 35 2HB ASN 35 -10.134 -5.339 0.818 281 2HB ASN 35 1HB ASN 35 -9.611 -5.459 2.494 282 1HD2 ASN 35 1HD2 ASN 35 -12.076 -6.167 0.696 283 2HD2 ASN 35 2HD2 ASN 35 -13.402 -5.818 1.742 284 H ASP 36 H ASP 36 -8.310 -3.612 3.797 285 HA ASP 36 HA ASP 36 -10.203 -2.257 5.558 286 1HB ASP 36 2HB ASP 36 -7.668 -3.778 6.186 287 2HB ASP 36 1HB ASP 36 -8.736 -3.064 7.391 288 H ASN 37 H ASN 37 -7.105 -1.634 4.056 289 HA ASN 37 HA ASN 37 -6.445 0.513 5.875 290 1HB ASN 37 2HB ASN 37 -5.268 -0.242 3.189 291 2HB ASN 37 1HB ASN 37 -4.662 1.061 4.204 292 1HD2 ASN 37 1HD2 ASN 37 -3.594 -1.616 3.235 293 2HD2 ASN 37 2HD2 ASN 37 -2.969 -2.346 4.671 294 H GLY 38 H GLY 38 -7.650 0.165 2.606 295 1HA GLY 38 2HA GLY 38 -8.002 2.159 1.191 296 2HA GLY 38 1HA GLY 38 -9.496 1.557 1.873 297 H VAL 39 H VAL 39 -10.767 3.032 2.654 298 HA VAL 39 HA VAL 39 -9.826 5.712 3.001 299 HB VAL 39 HB VAL 39 -12.575 4.533 3.224 300 1HG1 VAL 39 1HG1 VAL 39 -13.134 7.085 2.862 301 2HG1 VAL 39 2HG1 VAL 39 -11.584 7.307 3.673 302 3HG1 VAL 39 3HG1 VAL 39 -12.885 6.430 4.480 303 1HG2 VAL 39 1HG2 VAL 39 -11.439 4.530 0.998 304 2HG2 VAL 39 2HG2 VAL 39 -11.400 6.292 1.088 305 3HG2 VAL 39 3HG2 VAL 39 -12.947 5.446 1.057 306 H ASP 40 H ASP 40 -11.633 3.566 5.276 307 HA ASP 40 HA ASP 40 -11.050 5.474 7.376 308 1HB ASP 40 2HB ASP 40 -12.684 2.936 7.405 309 2HB ASP 40 1HB ASP 40 -12.546 4.068 8.747 310 H GLY 41 H GLY 41 -8.843 3.770 6.281 311 1HA GLY 41 2HA GLY 41 -8.211 1.770 8.181 312 2HA GLY 41 1HA GLY 41 -7.069 2.552 7.101 313 H GLU 42 H GLU 42 -6.940 1.779 10.000 314 HA GLU 42 HA GLU 42 -6.853 4.224 11.498 315 1HB GLU 42 2HB GLU 42 -5.652 1.514 12.103 316 2HB GLU 42 1HB GLU 42 -5.755 2.849 13.242 317 1HG GLU 42 2HG GLU 42 -8.103 1.462 11.971 318 2HG GLU 42 1HG GLU 42 -7.498 1.168 13.600 319 H TRP 43 H TRP 43 -5.513 5.651 10.402 320 HA TRP 43 HA TRP 43 -2.714 4.834 10.031 321 1HB TRP 43 2HB TRP 43 -4.125 7.265 8.933 322 2HB TRP 43 1HB TRP 43 -2.502 6.727 8.529 323 HD1 TRP 43 HD TRP 43 -4.852 3.825 8.588 324 HE1 TRP 43 1HE TRP 43 -5.511 3.189 6.182 325 HE3 TRP 43 3HE TRP 43 -3.025 7.915 6.155 326 HZ2 TRP 43 2HZ TRP 43 -5.281 4.284 3.596 327 HZ3 TRP 43 3HZ TRP 43 -3.274 8.047 3.720 328 HH2 TRP 43 HH TRP 43 -4.382 6.269 2.461 329 H THR 44 H THR 44 -1.105 5.716 11.166 330 HA THR 44 HA THR 44 -1.713 8.031 12.885 331 HB THR 44 HB THR 44 0.136 7.223 14.340 332 HG1 THR 44 1HG THR 44 1.129 5.972 12.586 333 1HG2 THR 44 1HG2 THR 44 -0.957 5.150 15.193 334 2HG2 THR 44 2HG2 THR 44 -2.087 5.267 13.844 335 3HG2 THR 44 3HG2 THR 44 -2.021 6.549 15.051 336 H TYR 45 H TYR 45 -0.281 9.781 12.839 337 HA TYR 45 HA TYR 45 1.698 9.667 10.660 338 1HB TYR 45 2HB TYR 45 -0.216 11.239 10.360 339 2HB TYR 45 1HB TYR 45 0.323 12.110 11.790 340 HD1 TYR 45 1HD TYR 45 2.635 10.695 9.285 341 HD2 TYR 45 2HD TYR 45 0.689 14.206 10.697 342 HE1 TYR 45 1HE TYR 45 4.110 12.070 7.879 343 HE2 TYR 45 2HE TYR 45 2.159 15.590 9.293 344 HH TYR 45 HH TYR 45 4.289 15.483 8.191 345 H ASP 46 H ASP 46 3.765 10.404 10.951 346 HA ASP 46 HA ASP 46 4.512 11.196 13.688 347 1HB ASP 46 2HB ASP 46 5.229 8.891 13.240 348 2HB ASP 46 1HB ASP 46 6.078 9.429 11.793 349 H ASP 47 H ASP 47 4.362 13.399 12.997 350 HA ASP 47 HA ASP 47 5.520 14.605 10.827 351 1HB ASP 47 2HB ASP 47 5.453 15.714 13.641 352 2HB ASP 47 1HB ASP 47 5.640 16.657 12.165 353 H ALA 48 H ALA 48 7.089 13.579 13.802 354 HA ALA 48 HA ALA 48 9.522 14.837 13.631 355 1HB ALA 48 1HB ALA 48 9.562 11.980 14.418 356 2HB ALA 48 2HB ALA 48 8.509 13.066 15.325 357 3HB ALA 48 3HB ALA 48 10.240 13.393 15.229 358 H THR 49 H THR 49 8.387 12.103 11.743 359 HA THR 49 HA THR 49 10.946 12.154 10.282 360 HB THR 49 HB THR 49 10.598 9.760 9.782 361 HG1 THR 49 1HG THR 49 8.349 10.119 11.455 362 1HG2 THR 49 1HG2 THR 49 11.979 10.298 11.700 363 2HG2 THR 49 2HG2 THR 49 11.038 8.836 11.992 364 3HG2 THR 49 3HG2 THR 49 10.548 10.362 12.728 365 H LYS 50 H LYS 50 8.044 13.331 9.922 366 HA LYS 50 HA LYS 50 6.604 13.745 8.170 367 1HB LYS 50 2HB LYS 50 9.242 13.331 6.763 368 2HB LYS 50 1HB LYS 50 7.794 13.852 5.915 369 1HG LYS 50 2HG LYS 50 8.797 15.358 8.296 370 2HG LYS 50 1HG LYS 50 9.496 15.615 6.697 371 1HD LYS 50 2HD LYS 50 6.577 15.905 7.412 372 2HD LYS 50 1HD LYS 50 7.717 17.232 7.180 373 1HE LYS 50 2HE LYS 50 6.762 15.249 5.120 374 2HE LYS 50 1HE LYS 50 6.455 16.984 5.166 375 1HZ LYS 50 1HZ LYS 50 8.171 16.499 3.575 376 2HZ LYS 50 2HZ LYS 50 9.088 15.679 4.735 377 3HZ LYS 50 3HZ LYS 50 8.850 17.349 4.872 378 H THR 51 H THR 51 6.686 11.001 9.087 379 HA THR 51 HA THR 51 5.979 9.642 6.574 380 HB THR 51 HB THR 51 7.307 8.450 9.012 381 HG1 THR 51 1HG THR 51 9.006 8.085 7.520 382 1HG2 THR 51 1HG2 THR 51 6.747 6.423 8.348 383 2HG2 THR 51 2HG2 THR 51 7.373 6.743 6.732 384 3HG2 THR 51 3HG2 THR 51 5.700 7.135 7.123 385 H PHE 52 H PHE 52 4.193 8.352 6.545 386 HA PHE 52 HA PHE 52 2.414 8.533 8.890 387 1HB PHE 52 2HB PHE 52 1.617 8.010 6.016 388 2HB PHE 52 1HB PHE 52 0.545 8.349 7.369 389 HD1 PHE 52 1HD PHE 52 -0.349 10.453 7.471 390 HD2 PHE 52 2HD PHE 52 3.458 9.926 5.645 391 HE1 PHE 52 1HE PHE 52 -0.300 12.845 6.886 392 HE2 PHE 52 2HE PHE 52 3.516 12.315 5.066 393 HZ PHE 52 HZ PHE 52 1.636 13.777 5.688 394 H THR 53 H THR 53 1.390 6.632 9.618 395 HA THR 53 HA THR 53 2.320 4.160 8.328 396 HB THR 53 HB THR 53 2.055 3.188 10.730 397 HG1 THR 53 1HG THR 53 2.673 5.871 11.366 398 1HG2 THR 53 1HG2 THR 53 4.414 4.125 11.304 399 2HG2 THR 53 2HG2 THR 53 4.345 4.745 9.654 400 3HG2 THR 53 3HG2 THR 53 4.189 3.010 9.954 401 H VAL 54 H VAL 54 0.838 2.865 7.634 402 HA VAL 54 HA VAL 54 -1.935 3.198 8.562 403 HB VAL 54 HB VAL 54 -0.931 1.854 6.042 404 1HG1 VAL 54 1HG1 VAL 54 -2.946 0.866 6.176 405 2HG1 VAL 54 2HG1 VAL 54 -3.543 2.423 5.603 406 3HG1 VAL 54 3HG1 VAL 54 -3.568 2.048 7.327 407 1HG2 VAL 54 1HG2 VAL 54 -0.517 4.119 5.689 408 2HG2 VAL 54 2HG2 VAL 54 -1.953 4.620 6.581 409 3HG2 VAL 54 3HG2 VAL 54 -2.118 3.881 4.989 410 H THR 55 H THR 55 -2.497 1.751 10.071 411 HA THR 55 HA THR 55 -1.272 -0.912 9.938 412 HB THR 55 HB THR 55 -2.658 0.201 12.360 413 HG1 THR 55 1HG THR 55 -0.982 1.643 11.743 414 1HG2 THR 55 1HG2 THR 55 -1.208 -1.291 13.577 415 2HG2 THR 55 2HG2 THR 55 -0.412 -1.784 12.081 416 3HG2 THR 55 3HG2 THR 55 -2.106 -2.195 12.357 417 H GLU 56 H GLU 56 -2.472 -2.513 9.237 418 HA GLU 56 HA GLU 56 -5.175 -2.320 8.589 419 1HB GLU 56 2HB GLU 56 -3.672 -3.974 7.592 420 2HB GLU 56 1HB GLU 56 -3.528 -4.794 9.142 421 1HG GLU 56 2HG GLU 56 -5.942 -5.286 9.073 422 2HG GLU 56 1HG GLU 56 -6.025 -4.535 7.481 423 1H MET 1 1HT MET 1 7.571 18.379 -3.473 424 2H MET 1 2HT MET 1 6.796 19.646 -2.666 425 3H MET 1 3HT MET 1 5.928 18.258 -3.093 426 HA MET 1 HA MET 1 8.262 18.081 -1.306 427 1HB MET 1 2HB MET 1 6.480 19.809 -0.583 428 2HB MET 1 1HB MET 1 5.432 18.423 -0.330 429 1HG MET 1 2HG MET 1 6.839 17.555 1.364 430 2HG MET 1 1HG MET 1 8.118 18.706 0.981 431 1HE MET 1 1HE MET 1 6.905 19.830 4.547 432 2HE MET 1 2HE MET 1 8.335 19.541 3.554 433 3HE MET 1 3HE MET 1 7.204 18.228 3.877 434 H GLN 2 H GLN 2 8.583 16.014 -0.681 435 HA GLN 2 HA GLN 2 6.522 14.050 -1.439 436 1HB GLN 2 2HB GLN 2 8.605 13.814 -2.702 437 2HB GLN 2 1HB GLN 2 9.515 13.687 -1.202 438 1HG GLN 2 2HG GLN 2 8.337 11.618 -0.662 439 2HG GLN 2 1HG GLN 2 7.423 11.745 -2.161 440 1HE2 GLN 2 1HE2 GLN 2 10.437 12.891 -2.850 441 2HE2 GLN 2 2HE2 GLN 2 11.167 11.437 -3.422 442 H TYR 3 H TYR 3 6.061 12.329 -0.063 443 HA TYR 3 HA TYR 3 7.119 12.533 2.672 444 1HB TYR 3 2HB TYR 3 4.220 12.159 1.898 445 2HB TYR 3 1HB TYR 3 4.848 12.035 3.539 446 HD1 TYR 3 1HD TYR 3 4.649 13.890 4.888 447 HD2 TYR 3 2HD TYR 3 4.883 14.447 0.676 448 HE1 TYR 3 1HE TYR 3 4.321 16.304 5.196 449 HE2 TYR 3 2HE TYR 3 4.562 16.870 0.974 450 HH TYR 3 HH TYR 3 3.766 18.247 4.097 451 H LYS 4 H LYS 4 7.190 10.593 3.846 452 HA LYS 4 HA LYS 4 7.210 8.202 2.154 453 1HB LYS 4 2HB LYS 4 9.283 8.717 3.344 454 2HB LYS 4 1HB LYS 4 8.423 8.715 4.876 455 1HG LYS 4 2HG LYS 4 9.603 6.654 4.674 456 2HG LYS 4 1HG LYS 4 7.880 6.319 4.502 457 1HD LYS 4 2HD LYS 4 9.132 5.061 2.856 458 2HD LYS 4 1HD LYS 4 8.157 6.293 2.052 459 1HE LYS 4 2HE LYS 4 10.098 7.725 1.826 460 2HE LYS 4 1HE LYS 4 11.083 6.574 2.726 461 1HZ LYS 4 1HZ LYS 4 9.774 5.391 0.466 462 2HZ LYS 4 2HZ LYS 4 11.403 5.347 0.913 463 3HZ LYS 4 3HZ LYS 4 10.807 6.656 0.026 464 H VAL 5 H VAL 5 5.328 7.126 2.171 465 HA VAL 5 HA VAL 5 3.768 7.020 4.644 466 HB VAL 5 HB VAL 5 3.013 6.064 1.875 467 1HG1 VAL 5 1HG1 VAL 5 1.713 4.824 3.381 468 2HG1 VAL 5 2HG1 VAL 5 0.679 6.179 2.924 469 3HG1 VAL 5 3HG1 VAL 5 1.518 6.193 4.476 470 1HG2 VAL 5 1HG2 VAL 5 3.266 8.668 2.713 471 2HG2 VAL 5 2HG2 VAL 5 1.556 8.331 2.986 472 3HG2 VAL 5 3HG2 VAL 5 2.254 8.107 1.382 473 H ILE 6 H ILE 6 3.719 5.272 5.889 474 HA ILE 6 HA ILE 6 5.005 2.816 4.906 475 HB ILE 6 HB ILE 6 4.674 3.881 7.712 476 1HG1 ILE 6 2HG1 ILE 6 7.131 3.345 6.032 477 2HG1 ILE 6 1HG1 ILE 6 6.452 4.931 6.380 478 1HG2 ILE 6 1HG2 ILE 6 4.583 1.700 8.268 479 2HG2 ILE 6 2HG2 ILE 6 6.328 1.789 8.028 480 3HG2 ILE 6 3HG2 ILE 6 5.292 1.167 6.743 481 1HD1 ILE 6 1HD1 ILE 6 8.060 3.138 8.083 482 2HD1 ILE 6 2HD1 ILE 6 6.788 4.066 8.876 483 3HD1 ILE 6 3HD1 ILE 6 8.050 4.897 7.969 484 H LEU 7 H LEU 7 3.825 1.021 4.677 485 HA LEU 7 HA LEU 7 1.103 1.002 5.790 486 1HB LEU 7 2HB LEU 7 2.081 -0.823 3.612 487 2HB LEU 7 1HB LEU 7 0.437 -0.329 3.974 488 HG LEU 7 HG LEU 7 2.577 1.410 2.763 489 1HD1 LEU 7 1HD1 LEU 7 1.586 -0.360 1.303 490 2HD1 LEU 7 2HD1 LEU 7 1.315 1.291 0.749 491 3HD1 LEU 7 3HD1 LEU 7 0.015 0.403 1.546 492 1HD2 LEU 7 1HD2 LEU 7 0.989 2.578 4.306 493 2HD2 LEU 7 2HD2 LEU 7 -0.323 2.068 3.244 494 3HD2 LEU 7 3HD2 LEU 7 0.942 3.137 2.635 495 H ASN 8 H ASN 8 1.442 0.127 7.800 496 HA ASN 8 HA ASN 8 2.861 -2.440 7.974 497 1HB ASN 8 2HB ASN 8 2.077 -0.433 10.087 498 2HB ASN 8 1HB ASN 8 2.741 -2.016 10.467 499 1HD2 ASN 8 1HD2 ASN 8 4.194 -1.188 7.662 500 2HD2 ASN 8 2HD2 ASN 8 5.607 -0.421 8.282 501 H GLY 9 H GLY 9 1.544 -4.146 7.676 502 1HA GLY 9 2HA GLY 9 -1.087 -4.081 9.022 503 2HA GLY 9 1HA GLY 9 -0.759 -4.991 7.557 504 H LYS 10 H LYS 10 -1.781 -6.678 8.985 505 HA LYS 10 HA LYS 10 -0.163 -7.753 11.101 506 1HB LYS 10 2HB LYS 10 -2.551 -8.938 9.671 507 2HB LYS 10 1HB LYS 10 -1.829 -9.570 11.143 508 1HG LYS 10 2HG LYS 10 -2.416 -7.509 12.318 509 2HG LYS 10 1HG LYS 10 -3.142 -6.878 10.840 510 1HD LYS 10 2HD LYS 10 -4.744 -8.735 10.842 511 2HD LYS 10 1HD LYS 10 -4.019 -9.354 12.326 512 1HE LYS 10 2HE LYS 10 -5.357 -6.672 11.999 513 2HE LYS 10 1HE LYS 10 -6.061 -8.085 12.782 514 1HZ LYS 10 1HZ LYS 10 -3.786 -7.854 14.137 515 2HZ LYS 10 2HZ LYS 10 -5.227 -7.105 14.612 516 3HZ LYS 10 3HZ LYS 10 -4.058 -6.226 13.763 517 H THR 11 H THR 11 -1.180 -8.999 7.918 518 HA THR 11 HA THR 11 1.122 -10.806 7.927 519 HB THR 11 HB THR 11 -0.212 -11.761 5.911 520 HG1 THR 11 1HG THR 11 -2.471 -11.355 6.157 521 1HG2 THR 11 1HG2 THR 11 -0.605 -12.150 8.768 522 2HG2 THR 11 2HG2 THR 11 -0.422 -13.334 7.472 523 3HG2 THR 11 3HG2 THR 11 -1.999 -12.612 7.792 524 H LEU 12 H LEU 12 0.503 -7.792 6.928 525 HA LEU 12 HA LEU 12 2.280 -8.076 4.623 526 1HB LEU 12 2HB LEU 12 0.026 -7.903 3.732 527 2HB LEU 12 1HB LEU 12 -0.258 -6.450 4.669 528 HG LEU 12 HG LEU 12 1.310 -5.210 3.345 529 1HD1 LEU 12 1HD1 LEU 12 2.237 -7.868 2.663 530 2HD1 LEU 12 2HD1 LEU 12 3.080 -6.328 2.594 531 3HD1 LEU 12 3HD1 LEU 12 2.055 -6.836 1.249 532 1HD2 LEU 12 1HD2 LEU 12 -0.174 -4.887 1.720 533 2HD2 LEU 12 2HD2 LEU 12 -1.067 -6.253 2.385 534 3HD2 LEU 12 3HD2 LEU 12 0.078 -6.505 1.068 535 H LYS 13 H LYS 13 3.806 -6.552 4.434 536 HA LYS 13 HA LYS 13 3.620 -4.090 5.991 537 1HB LYS 13 2HB LYS 13 5.912 -6.044 6.278 538 2HB LYS 13 1HB LYS 13 5.867 -4.426 6.968 539 1HG LYS 13 2HG LYS 13 3.950 -5.060 8.343 540 2HG LYS 13 1HG LYS 13 3.989 -6.682 7.647 541 1HD LYS 13 2HD LYS 13 6.209 -5.396 9.237 542 2HD LYS 13 1HD LYS 13 5.077 -6.607 9.845 543 1HE LYS 13 2HE LYS 13 7.046 -6.989 7.591 544 2HE LYS 13 1HE LYS 13 7.212 -7.620 9.229 545 1HZ LYS 13 1HZ LYS 13 4.828 -8.590 8.566 546 2HZ LYS 13 2HZ LYS 13 6.275 -9.426 8.303 547 3HZ LYS 13 3HZ LYS 13 5.555 -8.561 7.039 548 H GLY 14 H GLY 14 4.890 -2.396 5.170 549 1HA GLY 14 2HA GLY 14 6.935 -2.709 3.267 550 2HA GLY 14 1HA GLY 14 5.418 -2.487 2.413 551 H GLU 15 H GLU 15 6.720 -0.611 1.624 552 HA GLU 15 HA GLU 15 6.009 1.731 3.215 553 1HB GLU 15 2HB GLU 15 8.773 1.276 2.072 554 2HB GLU 15 1HB GLU 15 8.211 2.772 2.807 555 1HG GLU 15 2HG GLU 15 7.898 1.611 4.932 556 2HG GLU 15 1HG GLU 15 8.464 0.113 4.195 557 H THR 16 H THR 16 5.823 3.663 1.986 558 HA THR 16 HA THR 16 6.087 3.507 -0.891 559 HB THR 16 HB THR 16 3.936 2.651 -0.912 560 HG1 THR 16 1HG THR 16 3.402 5.405 -0.764 561 1HG2 THR 16 1HG2 THR 16 3.191 2.549 1.265 562 2HG2 THR 16 2HG2 THR 16 2.095 3.722 0.538 563 3HG2 THR 16 3HG2 THR 16 3.437 4.271 1.538 564 H THR 17 H THR 17 5.392 5.661 -1.923 565 HA THR 17 HA THR 17 5.696 7.915 -0.082 566 HB THR 17 HB THR 17 7.450 8.912 -1.515 567 HG1 THR 17 1HG THR 17 7.545 6.353 -2.730 568 1HG2 THR 17 1HG2 THR 17 8.335 6.198 -0.600 569 2HG2 THR 17 2HG2 THR 17 8.033 7.541 0.500 570 3HG2 THR 17 3HG2 THR 17 9.292 7.672 -0.728 571 H THR 18 H THR 18 4.229 9.388 -0.506 572 HA THR 18 HA THR 18 3.141 9.644 -3.245 573 HB THR 18 HB THR 18 1.514 9.064 -1.446 574 HG1 THR 18 1HG THR 18 0.922 10.343 -3.289 575 1HG2 THR 18 1HG2 THR 18 2.353 11.712 -0.309 576 2HG2 THR 18 2HG2 THR 18 2.324 10.139 0.490 577 3HG2 THR 18 3HG2 THR 18 0.811 10.941 0.066 578 H GLU 19 H GLU 19 3.097 11.657 -4.230 579 HA GLU 19 HA GLU 19 4.748 13.728 -2.948 580 1HB GLU 19 2HB GLU 19 5.541 12.930 -5.128 581 2HB GLU 19 1HB GLU 19 3.995 13.345 -5.855 582 1HG GLU 19 2HG GLU 19 5.620 15.025 -6.397 583 2HG GLU 19 1HG GLU 19 4.405 15.710 -5.320 584 H ALA 20 H ALA 20 3.639 15.355 -2.005 585 HA ALA 20 HA ALA 20 1.393 16.520 -3.435 586 1HB ALA 20 1HB ALA 20 0.961 15.867 -0.552 587 2HB ALA 20 2HB ALA 20 0.630 14.664 -1.798 588 3HB ALA 20 3HB ALA 20 -0.222 16.208 -1.815 589 H VAL 21 H VAL 21 0.867 18.602 -2.811 590 HA VAL 21 HA VAL 21 2.908 20.331 -2.203 591 HB VAL 21 HB VAL 21 0.009 20.856 -1.551 592 1HG1 VAL 21 1HG1 VAL 21 1.703 22.505 -0.736 593 2HG1 VAL 21 2HG1 VAL 21 0.516 23.163 -1.860 594 3HG1 VAL 21 3HG1 VAL 21 2.146 22.791 -2.418 595 1HG2 VAL 21 1HG2 VAL 21 0.072 21.867 -3.917 596 2HG2 VAL 21 2HG2 VAL 21 -0.071 20.116 -3.755 597 3HG2 VAL 21 3HG2 VAL 21 1.486 20.839 -4.156 598 H ASP 22 H ASP 22 0.966 18.520 0.027 599 HA ASP 22 HA ASP 22 2.702 19.290 2.191 600 1HB ASP 22 2HB ASP 22 1.004 20.179 3.693 601 2HB ASP 22 1HB ASP 22 1.104 21.158 2.234 602 H ALA 23 H ALA 23 1.810 18.279 4.348 603 HA ALA 23 HA ALA 23 1.796 15.524 4.000 604 1HB ALA 23 1HB ALA 23 0.579 16.113 6.497 605 2HB ALA 23 2HB ALA 23 1.810 17.333 6.180 606 3HB ALA 23 3HB ALA 23 2.241 15.624 6.171 607 H ALA 24 H ALA 24 -0.920 17.720 4.564 608 HA ALA 24 HA ALA 24 -2.894 15.723 4.811 609 1HB ALA 24 1HB ALA 24 -2.872 18.639 4.338 610 2HB ALA 24 2HB ALA 24 -3.816 17.681 5.477 611 3HB ALA 24 3HB ALA 24 -4.311 17.780 3.788 612 H THR 25 H THR 25 -2.019 17.731 1.985 613 HA THR 25 HA THR 25 -3.636 16.515 0.106 614 HB THR 25 HB THR 25 -1.903 17.225 -1.552 615 HG1 THR 25 1HG THR 25 -0.435 17.575 0.794 616 1HG2 THR 25 1HG2 THR 25 -1.740 19.683 -0.678 617 2HG2 THR 25 2HG2 THR 25 -2.910 19.103 0.507 618 3HG2 THR 25 3HG2 THR 25 -3.279 19.008 -1.214 619 H ALA 26 H ALA 26 -0.377 15.630 1.192 620 HA ALA 26 HA ALA 26 -0.024 13.399 -0.480 621 1HB ALA 26 1HB ALA 26 1.489 12.632 1.496 622 2HB ALA 26 2HB ALA 26 1.133 14.229 2.155 623 3HB ALA 26 3HB ALA 26 1.924 14.079 0.586 624 H GLU 27 H GLU 27 -1.191 13.628 2.889 625 HA GLU 27 HA GLU 27 -1.814 10.987 3.325 626 1HB GLU 27 2HB GLU 27 -1.879 12.705 5.066 627 2HB GLU 27 1HB GLU 27 -3.280 13.439 4.301 628 1HG GLU 27 2HG GLU 27 -4.581 11.422 4.739 629 2HG GLU 27 1HG GLU 27 -3.176 10.683 5.505 630 H LYS 28 H LYS 28 -3.896 13.536 1.961 631 HA LYS 28 HA LYS 28 -6.178 11.960 1.578 632 1HB LYS 28 2HB LYS 28 -5.224 14.358 0.001 633 2HB LYS 28 1HB LYS 28 -6.845 13.680 -0.079 634 1HG LYS 28 2HG LYS 28 -5.540 14.940 2.323 635 2HG LYS 28 1HG LYS 28 -6.849 15.614 1.349 636 1HD LYS 28 2HD LYS 28 -8.289 13.744 2.006 637 2HD LYS 28 1HD LYS 28 -6.978 13.084 2.985 638 1HE LYS 28 2HE LYS 28 -6.994 15.104 4.367 639 2HE LYS 28 1HE LYS 28 -8.300 15.767 3.386 640 1HZ LYS 28 1HZ LYS 28 -9.322 13.401 4.106 641 2HZ LYS 28 2HZ LYS 28 -9.586 14.840 4.952 642 3HZ LYS 28 3HZ LYS 28 -8.390 13.763 5.472 643 H VAL 29 H VAL 29 -3.417 12.608 -0.528 644 HA VAL 29 HA VAL 29 -4.316 11.311 -2.826 645 HB VAL 29 HB VAL 29 -1.488 11.515 -1.767 646 1HG1 VAL 29 1HG1 VAL 29 -1.334 9.850 -3.373 647 2HG1 VAL 29 2HG1 VAL 29 -0.988 11.314 -4.293 648 3HG1 VAL 29 3HG1 VAL 29 -2.586 10.573 -4.386 649 1HG2 VAL 29 1HG2 VAL 29 -2.266 13.189 -4.030 650 2HG2 VAL 29 2HG2 VAL 29 -1.396 13.608 -2.554 651 3HG2 VAL 29 3HG2 VAL 29 -3.158 13.546 -2.552 652 H VAL 30 H VAL 30 -2.769 10.068 0.071 653 HA VAL 30 HA VAL 30 -2.395 7.418 -0.845 654 HB VAL 30 HB VAL 30 -2.842 8.322 2.003 655 1HG1 VAL 30 1HG1 VAL 30 -1.937 6.314 2.697 656 2HG1 VAL 30 2HG1 VAL 30 -1.119 6.033 1.160 657 3HG1 VAL 30 3HG1 VAL 30 -2.865 5.820 1.281 658 1HG2 VAL 30 1HG2 VAL 30 -1.009 9.572 1.651 659 2HG2 VAL 30 2HG2 VAL 30 -0.584 8.711 0.172 660 3HG2 VAL 30 3HG2 VAL 30 -0.151 8.035 1.742 661 H LYS 31 H LYS 31 -4.995 8.967 1.074 662 HA LYS 31 HA LYS 31 -6.617 6.777 1.485 663 1HB LYS 31 2HB LYS 31 -7.258 9.677 1.078 664 2HB LYS 31 1HB LYS 31 -8.554 8.504 1.250 665 1HG LYS 31 2HG LYS 31 -8.099 9.519 3.377 666 2HG LYS 31 1HG LYS 31 -7.615 7.824 3.423 667 1HD LYS 31 2HD LYS 31 -5.278 8.542 2.977 668 2HD LYS 31 1HD LYS 31 -5.817 10.217 3.099 669 1HE LYS 31 2HE LYS 31 -6.036 8.139 5.273 670 2HE LYS 31 1HE LYS 31 -4.822 9.414 5.195 671 1HZ LYS 31 1HZ LYS 31 -6.674 9.978 6.667 672 2HZ LYS 31 2HZ LYS 31 -7.753 9.863 5.369 673 3HZ LYS 31 3HZ LYS 31 -6.559 11.060 5.372 674 H GLN 32 H GLN 32 -6.458 8.878 -1.355 675 HA GLN 32 HA GLN 32 -8.518 7.556 -2.797 676 1HB GLN 32 2HB GLN 32 -7.710 9.833 -3.359 677 2HB GLN 32 1HB GLN 32 -6.170 9.149 -3.857 678 1HG GLN 32 2HG GLN 32 -7.483 9.604 -5.798 679 2HG GLN 32 1HG GLN 32 -7.339 7.859 -5.600 680 1HE2 GLN 32 1HE2 GLN 32 -9.487 9.127 -3.329 681 2HE2 GLN 32 2HE2 GLN 32 -10.956 8.793 -4.168 682 H PHE 33 H PHE 33 -5.041 7.181 -2.566 683 HA PHE 33 HA PHE 33 -4.534 5.371 -4.595 684 1HB PHE 33 2HB PHE 33 -2.844 6.501 -3.132 685 2HB PHE 33 1HB PHE 33 -3.281 5.394 -1.837 686 HD1 PHE 33 1HD PHE 33 -1.964 5.499 -5.298 687 HD2 PHE 33 2HD PHE 33 -2.190 3.342 -1.624 688 HE1 PHE 33 1HE PHE 33 -0.294 3.891 -6.126 689 HE2 PHE 33 2HE PHE 33 -0.519 1.743 -2.461 690 HZ PHE 33 HZ PHE 33 0.428 2.025 -4.719 691 H PHE 34 H PHE 34 -5.141 4.605 -1.201 692 HA PHE 34 HA PHE 34 -5.517 1.810 -1.683 693 1HB PHE 34 2HB PHE 34 -6.139 3.472 0.758 694 2HB PHE 34 1HB PHE 34 -6.174 1.706 0.697 695 HD1 PHE 34 1HD PHE 34 -3.906 0.945 -0.810 696 HD2 PHE 34 2HD PHE 34 -4.277 4.150 1.960 697 HE1 PHE 34 1HE PHE 34 -1.480 0.893 -0.435 698 HE2 PHE 34 2HE PHE 34 -1.849 4.095 2.349 699 HZ PHE 34 HZ PHE 34 -0.454 2.475 1.133 700 H ASN 35 H ASN 35 -7.711 4.526 -1.232 701 HA ASN 35 HA ASN 35 -10.144 3.221 -1.013 702 1HB ASN 35 2HB ASN 35 -9.989 5.637 -0.870 703 2HB ASN 35 1HB ASN 35 -9.438 5.744 -2.539 704 1HD2 ASN 35 1HD2 ASN 35 -11.911 6.511 -0.776 705 2HD2 ASN 35 2HD2 ASN 35 -13.232 6.194 -1.841 706 H ASP 36 H ASP 36 -8.165 3.865 -3.826 707 HA ASP 36 HA ASP 36 -10.066 2.557 -5.612 708 1HB ASP 36 2HB ASP 36 -7.485 4.015 -6.205 709 2HB ASP 36 1HB ASP 36 -8.554 3.326 -7.425 710 H ASN 37 H ASN 37 -7.006 1.859 -4.067 711 HA ASN 37 HA ASN 37 -6.373 -0.305 -5.875 712 1HB ASN 37 2HB ASN 37 -5.215 0.423 -3.174 713 2HB ASN 37 1HB ASN 37 -4.626 -0.895 -4.179 714 1HD2 ASN 37 1HD2 ASN 37 -3.508 1.754 -3.195 715 2HD2 ASN 37 2HD2 ASN 37 -2.845 2.470 -4.623 716 H GLY 38 H GLY 38 -7.615 0.072 -2.625 717 1HA GLY 38 2HA GLY 38 -8.034 -1.911 -1.216 718 2HA GLY 38 1HA GLY 38 -9.503 -1.274 -1.917 719 H VAL 39 H VAL 39 -10.798 -2.718 -2.717 720 HA VAL 39 HA VAL 39 -9.918 -5.420 -3.051 721 HB VAL 39 HB VAL 39 -12.635 -4.174 -3.313 722 1HG1 VAL 39 1HG1 VAL 39 -13.260 -6.713 -2.959 723 2HG1 VAL 39 2HG1 VAL 39 -11.705 -6.970 -3.749 724 3HG1 VAL 39 3HG1 VAL 39 -12.973 -6.064 -4.574 725 1HG2 VAL 39 1HG2 VAL 39 -11.531 -4.198 -1.071 726 2HG2 VAL 39 2HG2 VAL 39 -11.533 -5.961 -1.161 727 3HG2 VAL 39 3HG2 VAL 39 -13.058 -5.077 -1.151 728 H ASP 40 H ASP 40 -11.639 -3.230 -5.352 729 HA ASP 40 HA ASP 40 -11.074 -5.154 -7.442 730 1HB ASP 40 2HB ASP 40 -12.645 -2.576 -7.495 731 2HB ASP 40 1HB ASP 40 -12.516 -3.711 -8.835 732 H GLY 41 H GLY 41 -8.843 -3.503 -6.316 733 1HA GLY 41 2HA GLY 41 -8.136 -1.518 -8.206 734 2HA GLY 41 1HA GLY 41 -7.029 -2.328 -7.110 735 H GLU 42 H GLU 42 -6.839 -1.559 -10.008 736 HA GLU 42 HA GLU 42 -6.791 -4.006 -11.504 737 1HB GLU 42 2HB GLU 42 -5.515 -1.326 -12.093 738 2HB GLU 42 1HB GLU 42 -5.635 -2.659 -13.233 739 1HG GLU 42 2HG GLU 42 -7.967 -1.213 -11.994 740 2HG GLU 42 1HG GLU 42 -7.331 -0.934 -13.615 741 H TRP 43 H TRP 43 -5.501 -5.464 -10.389 742 HA TRP 43 HA TRP 43 -2.689 -4.715 -9.979 743 1HB TRP 43 2HB TRP 43 -4.173 -7.112 -8.902 744 2HB TRP 43 1HB TRP 43 -2.545 -6.613 -8.475 745 HD1 TRP 43 HD TRP 43 -4.822 -3.655 -8.567 746 HE1 TRP 43 1HE TRP 43 -5.498 -3.003 -6.170 747 HE3 TRP 43 3HE TRP 43 -3.130 -7.788 -6.109 748 HZ2 TRP 43 2HZ TRP 43 -5.332 -4.103 -3.582 749 HZ3 TRP 43 3HZ TRP 43 -3.415 -7.913 -3.677 750 HH2 TRP 43 HH TRP 43 -4.498 -6.109 -2.435 751 H THR 44 H THR 44 -1.084 -5.637 -11.093 752 HA THR 44 HA THR 44 -1.725 -7.936 -12.819 753 HB THR 44 HB THR 44 0.163 -7.174 -14.250 754 HG1 THR 44 1HG THR 44 1.161 -5.948 -12.481 755 1HG2 THR 44 1HG2 THR 44 -0.867 -5.076 -15.117 756 2HG2 THR 44 2HG2 THR 44 -2.018 -5.164 -13.783 757 3HG2 THR 44 3HG2 THR 44 -1.967 -6.449 -14.991 758 H TYR 45 H TYR 45 -0.338 -9.720 -12.754 759 HA TYR 45 HA TYR 45 1.612 -9.656 -10.547 760 1HB TYR 45 2HB TYR 45 -0.343 -11.179 -10.275 761 2HB TYR 45 1HB TYR 45 0.194 -12.064 -11.697 762 HD1 TYR 45 1HD TYR 45 2.506 -10.704 -9.160 763 HD2 TYR 45 2HD TYR 45 0.495 -14.168 -10.600 764 HE1 TYR 45 1HE TYR 45 3.925 -12.115 -7.733 765 HE2 TYR 45 2HE TYR 45 1.910 -15.586 -9.175 766 HH TYR 45 HH TYR 45 4.026 -15.531 -8.043 767 H ASP 46 H ASP 46 3.665 -10.441 -10.809 768 HA ASP 46 HA ASP 46 4.432 -11.253 -13.536 769 1HB ASP 46 2HB ASP 46 5.198 -8.965 -13.076 770 2HB ASP 46 1HB ASP 46 6.014 -9.524 -11.619 771 H ASP 47 H ASP 47 4.219 -13.451 -12.848 772 HA ASP 47 HA ASP 47 5.315 -14.684 -10.662 773 1HB ASP 47 2HB ASP 47 5.263 -15.792 -13.477 774 2HB ASP 47 1HB ASP 47 5.404 -16.738 -11.999 775 H ALA 48 H ALA 48 6.952 -13.697 -13.612 776 HA ALA 48 HA ALA 48 9.351 -15.013 -13.408 777 1HB ALA 48 1HB ALA 48 9.471 -12.159 -14.195 778 2HB ALA 48 2HB ALA 48 8.406 -13.219 -15.118 779 3HB ALA 48 3HB ALA 48 10.126 -13.589 -14.996 780 H THR 49 H THR 49 8.254 -12.252 -11.536 781 HA THR 49 HA THR 49 10.791 -12.366 -10.039 782 HB THR 49 HB THR 49 10.495 -9.963 -9.543 783 HG1 THR 49 1HG THR 49 8.263 -10.268 -11.249 784 1HG2 THR 49 1HG2 THR 49 11.890 -10.536 -11.441 785 2HG2 THR 49 2HG2 THR 49 10.989 -9.051 -11.747 786 3HG2 THR 49 3HG2 THR 49 10.472 -10.565 -12.490 787 H LYS 50 H LYS 50 7.857 -13.472 -9.721 788 HA LYS 50 HA LYS 50 6.383 -13.851 -7.990 789 1HB LYS 50 2HB LYS 50 9.010 -13.500 -6.546 790 2HB LYS 50 1HB LYS 50 7.539 -13.985 -5.719 791 1HG LYS 50 2HG LYS 50 8.536 -15.516 -8.086 792 2HG LYS 50 1HG LYS 50 9.206 -15.790 -6.475 793 1HD LYS 50 2HD LYS 50 6.292 -16.009 -7.232 794 2HD LYS 50 1HD LYS 50 7.397 -17.363 -6.983 795 1HE LYS 50 2HE LYS 50 6.462 -15.358 -4.937 796 2HE LYS 50 1HE LYS 50 6.113 -17.083 -4.987 797 1HZ LYS 50 1HZ LYS 50 7.819 -16.642 -3.372 798 2HZ LYS 50 2HZ LYS 50 8.770 -15.843 -4.519 799 3HZ LYS 50 3HZ LYS 50 8.495 -17.506 -4.661 800 H THR 51 H THR 51 6.544 -11.110 -8.904 801 HA THR 51 HA THR 51 5.835 -9.733 -6.400 802 HB THR 51 HB THR 51 7.227 -8.573 -8.820 803 HG1 THR 51 1HG THR 51 8.912 -8.249 -7.305 804 1HG2 THR 51 1HG2 THR 51 6.705 -6.534 -8.163 805 2HG2 THR 51 2HG2 THR 51 7.301 -6.869 -6.539 806 3HG2 THR 51 3HG2 THR 51 5.625 -7.220 -6.952 807 H PHE 52 H PHE 52 4.081 -8.400 -6.397 808 HA PHE 52 HA PHE 52 2.333 -8.538 -8.767 809 1HB PHE 52 2HB PHE 52 1.505 -7.995 -5.906 810 2HB PHE 52 1HB PHE 52 0.447 -8.309 -7.274 811 HD1 PHE 52 1HD PHE 52 -0.497 -10.391 -7.387 812 HD2 PHE 52 2HD PHE 52 3.297 -9.957 -5.508 813 HE1 PHE 52 1HE PHE 52 -0.515 -12.783 -6.803 814 HE2 PHE 52 2HE PHE 52 3.287 -12.345 -4.929 815 HZ PHE 52 HZ PHE 52 1.381 -13.762 -5.577 816 H THR 53 H THR 53 1.365 -6.613 -9.509 817 HA THR 53 HA THR 53 2.336 -4.164 -8.206 818 HB THR 53 HB THR 53 2.128 -3.185 -10.612 819 HG1 THR 53 1HG THR 53 2.690 -5.883 -11.238 820 1HG2 THR 53 1HG2 THR 53 4.472 -4.180 -11.153 821 2HG2 THR 53 2HG2 THR 53 4.363 -4.797 -9.504 822 3HG2 THR 53 3HG2 THR 53 4.254 -3.061 -9.804 823 H VAL 54 H VAL 54 0.876 -2.832 -7.533 824 HA VAL 54 HA VAL 54 -1.891 -3.099 -8.500 825 HB VAL 54 HB VAL 54 -0.891 -1.779 -5.965 826 1HG1 VAL 54 1HG1 VAL 54 -2.878 -0.742 -6.128 827 2HG1 VAL 54 2HG1 VAL 54 -3.521 -2.286 -5.564 828 3HG1 VAL 54 3HG1 VAL 54 -3.511 -1.910 -7.288 829 1HG2 VAL 54 1HG2 VAL 54 -0.536 -4.053 -5.607 830 2HG2 VAL 54 2HG2 VAL 54 -1.972 -4.520 -6.519 831 3HG2 VAL 54 3HG2 VAL 54 -2.140 -3.777 -4.929 832 H THR 55 H THR 55 -2.396 -1.639 -10.015 833 HA THR 55 HA THR 55 -1.109 0.993 -9.866 834 HB THR 55 HB THR 55 -2.486 -0.086 -12.308 835 HG1 THR 55 1HG THR 55 -0.856 -1.567 -11.666 836 1HG2 THR 55 1HG2 THR 55 -0.985 1.371 -13.504 837 2HG2 THR 55 2HG2 THR 55 -0.198 1.844 -11.996 838 3HG2 THR 55 3HG2 THR 55 -1.877 2.297 -12.296 839 H GLU 56 H GLU 56 -2.279 2.624 -9.180 840 HA GLU 56 HA GLU 56 -4.996 2.496 -8.571 841 1HB GLU 56 2HB GLU 56 -3.466 4.114 -7.554 842 2HB GLU 56 1HB GLU 56 -3.281 4.930 -9.101 843 1HG GLU 56 2HG GLU 56 -5.684 5.481 -9.067 844 2HG GLU 56 1HG GLU 56 -5.807 4.732 -7.475 Start of MODEL 6 1 1H MET 1 1HT MET 1 6.257 -18.289 2.873 2 2H MET 1 2HT MET 1 6.711 -19.697 2.051 3 3H MET 1 3HT MET 1 5.178 -19.026 1.799 4 HA MET 1 HA MET 1 7.792 -18.135 0.814 5 1HB MET 1 2HB MET 1 5.023 -18.513 -0.321 6 2HB MET 1 1HB MET 1 6.307 -17.716 -1.219 7 1HG MET 1 2HG MET 1 7.649 -19.714 -1.153 8 2HG MET 1 1HG MET 1 6.447 -20.525 -0.148 9 1HE MET 1 1HE MET 1 5.779 -19.300 -4.545 10 2HE MET 1 2HE MET 1 7.252 -18.978 -3.631 11 3HE MET 1 3HE MET 1 5.761 -18.128 -3.228 12 H GLN 2 H GLN 2 8.306 -16.053 0.510 13 HA GLN 2 HA GLN 2 6.438 -14.028 1.520 14 1HB GLN 2 2HB GLN 2 8.635 -14.095 2.626 15 2HB GLN 2 1HB GLN 2 9.429 -13.869 1.074 16 1HG GLN 2 2HG GLN 2 8.391 -11.675 0.855 17 2HG GLN 2 1HG GLN 2 7.580 -11.900 2.400 18 1HE2 GLN 2 1HE2 GLN 2 10.523 -13.330 2.745 19 2HE2 GLN 2 2HE2 GLN 2 11.411 -12.002 3.395 20 H TYR 3 H TYR 3 5.812 -12.317 0.233 21 HA TYR 3 HA TYR 3 6.767 -12.395 -2.553 22 1HB TYR 3 2HB TYR 3 3.949 -11.871 -1.593 23 2HB TYR 3 1HB TYR 3 4.489 -11.752 -3.265 24 HD1 TYR 3 1HD TYR 3 4.478 -13.639 -4.649 25 HD2 TYR 3 2HD TYR 3 4.159 -14.144 -0.438 26 HE1 TYR 3 1HE TYR 3 3.993 -16.027 -4.980 27 HE2 TYR 3 2HE TYR 3 3.676 -16.533 -0.755 28 HH TYR 3 HH TYR 3 3.968 -18.274 -2.382 29 H LYS 4 H LYS 4 6.977 -10.475 -3.646 30 HA LYS 4 HA LYS 4 7.112 -8.091 -1.946 31 1HB LYS 4 2HB LYS 4 9.171 -8.650 -3.122 32 2HB LYS 4 1HB LYS 4 8.317 -8.687 -4.658 33 1HG LYS 4 2HG LYS 4 9.554 -6.642 -4.488 34 2HG LYS 4 1HG LYS 4 7.829 -6.280 -4.407 35 1HD LYS 4 2HD LYS 4 9.063 -4.973 -2.766 36 2HD LYS 4 1HD LYS 4 7.983 -6.116 -1.968 37 1HE LYS 4 2HE LYS 4 9.839 -7.622 -1.555 38 2HE LYS 4 1HE LYS 4 10.930 -6.555 -2.436 39 1HZ LYS 4 1HZ LYS 4 11.162 -5.231 -0.674 40 2HZ LYS 4 2HZ LYS 4 10.513 -6.503 0.232 41 3HZ LYS 4 3HZ LYS 4 9.511 -5.248 -0.302 42 H VAL 5 H VAL 5 5.189 -7.070 -1.953 43 HA VAL 5 HA VAL 5 3.663 -6.933 -4.435 44 HB VAL 5 HB VAL 5 2.908 -6.050 -1.645 45 1HG1 VAL 5 1HG1 VAL 5 0.675 -5.742 -2.475 46 2HG1 VAL 5 2HG1 VAL 5 1.142 -6.324 -4.073 47 3HG1 VAL 5 3HG1 VAL 5 1.775 -4.792 -3.472 48 1HG2 VAL 5 1HG2 VAL 5 2.754 -8.606 -3.062 49 2HG2 VAL 5 2HG2 VAL 5 1.241 -8.096 -2.312 50 3HG2 VAL 5 3HG2 VAL 5 2.700 -8.259 -1.334 51 H ILE 6 H ILE 6 4.113 -5.362 -5.743 52 HA ILE 6 HA ILE 6 5.160 -2.820 -4.758 53 HB ILE 6 HB ILE 6 4.902 -3.893 -7.574 54 1HG1 ILE 6 2HG1 ILE 6 7.322 -3.545 -5.793 55 2HG1 ILE 6 1HG1 ILE 6 6.561 -5.078 -6.203 56 1HG2 ILE 6 1HG2 ILE 6 5.691 -1.961 -8.422 57 2HG2 ILE 6 2HG2 ILE 6 6.692 -1.623 -7.012 58 3HG2 ILE 6 3HG2 ILE 6 4.966 -1.274 -6.971 59 1HD1 ILE 6 1HD1 ILE 6 8.509 -4.811 -7.547 60 2HD1 ILE 6 2HD1 ILE 6 7.996 -3.204 -8.063 61 3HD1 ILE 6 3HD1 ILE 6 7.097 -4.628 -8.587 62 H LEU 7 H LEU 7 3.966 -1.020 -4.658 63 HA LEU 7 HA LEU 7 1.282 -1.071 -5.870 64 1HB LEU 7 2HB LEU 7 2.164 0.762 -3.651 65 2HB LEU 7 1HB LEU 7 0.531 0.318 -4.114 66 HG LEU 7 HG LEU 7 2.530 -1.506 -2.790 67 1HD1 LEU 7 1HD1 LEU 7 -0.048 -0.474 -1.650 68 2HD1 LEU 7 2HD1 LEU 7 1.477 0.386 -1.444 69 3HD1 LEU 7 3HD1 LEU 7 1.299 -1.252 -0.814 70 1HD2 LEU 7 1HD2 LEU 7 -0.382 -2.040 -3.306 71 2HD2 LEU 7 2HD2 LEU 7 0.866 -3.171 -2.784 72 3HD2 LEU 7 3HD2 LEU 7 0.882 -2.535 -4.429 73 H ASN 8 H ASN 8 1.413 -0.043 -7.814 74 HA ASN 8 HA ASN 8 2.974 2.445 -7.948 75 1HB ASN 8 2HB ASN 8 2.042 0.656 -10.198 76 2HB ASN 8 1HB ASN 8 3.038 2.097 -10.373 77 1HD2 ASN 8 1HD2 ASN 8 5.102 1.702 -10.614 78 2HD2 ASN 8 2HD2 ASN 8 5.966 0.349 -9.976 79 H GLY 9 H GLY 9 1.717 4.190 -7.625 80 1HA GLY 9 2HA GLY 9 -0.916 4.227 -8.965 81 2HA GLY 9 1HA GLY 9 -0.549 5.117 -7.496 82 H LYS 10 H LYS 10 -1.520 6.824 -8.966 83 HA LYS 10 HA LYS 10 0.165 7.832 -11.048 84 1HB LYS 10 2HB LYS 10 -2.197 9.106 -9.653 85 2HB LYS 10 1HB LYS 10 -1.421 9.727 -11.103 86 1HG LYS 10 2HG LYS 10 -2.057 7.695 -12.310 87 2HG LYS 10 1HG LYS 10 -2.852 7.090 -10.854 88 1HD LYS 10 2HD LYS 10 -4.373 9.005 -10.888 89 2HD LYS 10 1HD LYS 10 -3.572 9.620 -12.335 90 1HE LYS 10 2HE LYS 10 -5.638 8.457 -12.905 91 2HE LYS 10 1HE LYS 10 -4.234 7.615 -13.559 92 1HZ LYS 10 1HZ LYS 10 -5.897 6.131 -12.526 93 2HZ LYS 10 2HZ LYS 10 -5.597 6.865 -11.031 94 3HZ LYS 10 3HZ LYS 10 -4.366 6.007 -11.813 95 H THR 11 H THR 11 -0.763 8.989 -7.809 96 HA THR 11 HA THR 11 1.553 10.779 -7.808 97 HB THR 11 HB THR 11 0.251 11.743 -5.795 98 HG1 THR 11 1HG THR 11 -1.192 9.880 -5.767 99 1HG2 THR 11 1HG2 THR 11 -1.600 12.558 -7.633 100 2HG2 THR 11 2HG2 THR 11 -0.222 12.112 -8.638 101 3HG2 THR 11 3HG2 THR 11 -0.027 13.304 -7.353 102 H LEU 12 H LEU 12 0.910 7.748 -6.866 103 HA LEU 12 HA LEU 12 2.664 7.994 -4.539 104 1HB LEU 12 2HB LEU 12 0.394 7.825 -3.682 105 2HB LEU 12 1HB LEU 12 0.125 6.371 -4.623 106 HG LEU 12 HG LEU 12 1.686 5.136 -3.284 107 1HD1 LEU 12 1HD1 LEU 12 3.436 6.223 -2.460 108 2HD1 LEU 12 2HD1 LEU 12 2.375 6.801 -1.173 109 3HD1 LEU 12 3HD1 LEU 12 2.626 7.778 -2.615 110 1HD2 LEU 12 1HD2 LEU 12 0.160 4.794 -1.705 111 2HD2 LEU 12 2HD2 LEU 12 -0.703 6.200 -2.331 112 3HD2 LEU 12 3HD2 LEU 12 0.441 6.385 -1.000 113 H LYS 13 H LYS 13 4.159 6.448 -4.310 114 HA LYS 13 HA LYS 13 4.000 4.010 -5.907 115 1HB LYS 13 2HB LYS 13 6.448 5.781 -5.994 116 2HB LYS 13 1HB LYS 13 6.192 4.284 -6.876 117 1HG LYS 13 2HG LYS 13 5.788 5.823 -8.515 118 2HG LYS 13 1HG LYS 13 4.159 5.571 -7.889 119 1HD LYS 13 2HD LYS 13 4.542 7.933 -8.179 120 2HD LYS 13 1HD LYS 13 4.446 7.573 -6.457 121 1HE LYS 13 2HE LYS 13 6.881 7.598 -6.306 122 2HE LYS 13 1HE LYS 13 6.990 7.922 -8.035 123 1HZ LYS 13 1HZ LYS 13 7.141 9.863 -6.362 124 2HZ LYS 13 2HZ LYS 13 5.455 9.736 -6.299 125 3HZ LYS 13 3HZ LYS 13 6.224 10.061 -7.770 126 H GLY 14 H GLY 14 5.117 2.272 -4.990 127 1HA GLY 14 2HA GLY 14 7.073 2.566 -2.965 128 2HA GLY 14 1HA GLY 14 5.501 2.316 -2.227 129 H GLU 15 H GLU 15 7.007 0.478 -1.454 130 HA GLU 15 HA GLU 15 6.321 -1.880 -3.045 131 1HB GLU 15 2HB GLU 15 9.058 -1.358 -1.864 132 2HB GLU 15 1HB GLU 15 8.538 -2.886 -2.555 133 1HG GLU 15 2HG GLU 15 9.865 -1.772 -4.171 134 2HG GLU 15 1HG GLU 15 8.193 -1.709 -4.723 135 H THR 16 H THR 16 5.646 -3.579 -1.847 136 HA THR 16 HA THR 16 6.065 -3.508 1.047 137 HB THR 16 HB THR 16 3.957 -2.579 1.065 138 HG1 THR 16 1HG THR 16 3.306 -5.307 0.895 139 1HG2 THR 16 1HG2 THR 16 3.047 -4.353 -1.180 140 2HG2 THR 16 2HG2 THR 16 3.536 -2.670 -1.356 141 3HG2 THR 16 3HG2 THR 16 2.119 -3.082 -0.388 142 H THR 17 H THR 17 5.331 -5.639 2.090 143 HA THR 17 HA THR 17 5.568 -7.896 0.242 144 HB THR 17 HB THR 17 7.323 -8.928 1.641 145 HG1 THR 17 1HG THR 17 6.861 -7.634 3.529 146 1HG2 THR 17 1HG2 THR 17 8.628 -6.394 1.024 147 2HG2 THR 17 2HG2 THR 17 7.703 -7.087 -0.307 148 3HG2 THR 17 3HG2 THR 17 8.982 -8.027 0.462 149 H THR 18 H THR 18 4.064 -9.317 0.663 150 HA THR 18 HA THR 18 3.047 -9.629 3.423 151 HB THR 18 HB THR 18 1.371 -8.968 1.707 152 HG1 THR 18 1HG THR 18 0.799 -10.308 3.498 153 1HG2 THR 18 1HG2 THR 18 0.679 -11.101 0.279 154 2HG2 THR 18 2HG2 THR 18 2.426 -11.338 0.300 155 3HG2 THR 18 3HG2 THR 18 1.747 -9.841 -0.337 156 H GLU 19 H GLU 19 2.922 -11.710 4.315 157 HA GLU 19 HA GLU 19 4.530 -13.748 2.915 158 1HB GLU 19 2HB GLU 19 5.414 -13.042 5.094 159 2HB GLU 19 1HB GLU 19 3.889 -13.466 5.861 160 1HG GLU 19 2HG GLU 19 4.234 -15.807 5.266 161 2HG GLU 19 1HG GLU 19 5.760 -15.384 4.490 162 H ALA 20 H ALA 20 3.381 -15.335 1.974 163 HA ALA 20 HA ALA 20 1.142 -16.497 3.418 164 1HB ALA 20 1HB ALA 20 0.421 -14.566 1.820 165 2HB ALA 20 2HB ALA 20 -0.509 -16.063 1.885 166 3HB ALA 20 3HB ALA 20 0.632 -15.791 0.568 167 H VAL 21 H VAL 21 0.533 -18.539 2.717 168 HA VAL 21 HA VAL 21 2.520 -20.307 2.035 169 HB VAL 21 HB VAL 21 -0.387 -20.751 1.372 170 1HG1 VAL 21 1HG1 VAL 21 1.999 -22.460 1.565 171 2HG1 VAL 21 2HG1 VAL 21 0.522 -22.668 0.623 172 3HG1 VAL 21 3HG1 VAL 21 0.544 -23.092 2.335 173 1HG2 VAL 21 1HG2 VAL 21 1.034 -20.670 3.993 174 2HG2 VAL 21 2HG2 VAL 21 -0.292 -21.809 3.760 175 3HG2 VAL 21 3HG2 VAL 21 -0.571 -20.077 3.561 176 H ASP 22 H ASP 22 0.286 -18.661 -0.141 177 HA ASP 22 HA ASP 22 2.032 -19.377 -2.373 178 1HB ASP 22 2HB ASP 22 0.005 -19.930 -3.790 179 2HB ASP 22 1HB ASP 22 0.444 -21.125 -2.575 180 H ALA 23 H ALA 23 1.302 -18.225 -4.441 181 HA ALA 23 HA ALA 23 1.357 -15.476 -3.989 182 1HB ALA 23 1HB ALA 23 0.852 -15.273 -6.418 183 2HB ALA 23 2HB ALA 23 0.574 -17.013 -6.461 184 3HB ALA 23 3HB ALA 23 2.171 -16.385 -6.056 185 H ALA 24 H ALA 24 -1.358 -17.607 -4.750 186 HA ALA 24 HA ALA 24 -3.294 -15.571 -5.019 187 1HB ALA 24 1HB ALA 24 -3.277 -18.473 -4.860 188 2HB ALA 24 2HB ALA 24 -4.369 -17.399 -5.734 189 3HB ALA 24 3HB ALA 24 -4.669 -17.773 -4.035 190 H THR 25 H THR 25 -2.574 -17.704 -2.232 191 HA THR 25 HA THR 25 -4.270 -16.494 -0.405 192 HB THR 25 HB THR 25 -2.603 -17.306 1.321 193 HG1 THR 25 1HG THR 25 -0.750 -17.113 0.008 194 1HG2 THR 25 1HG2 THR 25 -4.337 -18.815 0.736 195 2HG2 THR 25 2HG2 THR 25 -2.822 -19.719 0.756 196 3HG2 THR 25 3HG2 THR 25 -3.537 -19.231 -0.780 197 H ALA 26 H ALA 26 -0.948 -15.699 -1.324 198 HA ALA 26 HA ALA 26 -0.574 -13.553 0.456 199 1HB ALA 26 1HB ALA 26 1.072 -12.774 -1.372 200 2HB ALA 26 2HB ALA 26 0.650 -14.279 -2.188 201 3HB ALA 26 3HB ALA 26 1.374 -14.320 -0.580 202 H GLU 27 H GLU 27 -1.622 -13.600 -2.965 203 HA GLU 27 HA GLU 27 -2.103 -10.927 -3.343 204 1HB GLU 27 2HB GLU 27 -2.266 -12.587 -5.132 205 2HB GLU 27 1HB GLU 27 -3.712 -13.258 -4.392 206 1HG GLU 27 2HG GLU 27 -4.884 -11.147 -4.772 207 2HG GLU 27 1HG GLU 27 -3.433 -10.480 -5.517 208 H LYS 28 H LYS 28 -4.302 -13.379 -2.020 209 HA LYS 28 HA LYS 28 -6.488 -11.658 -1.582 210 1HB LYS 28 2HB LYS 28 -5.715 -14.199 -0.132 211 2HB LYS 28 1HB LYS 28 -7.283 -13.409 -0.021 212 1HG LYS 28 2HG LYS 28 -6.057 -14.657 -2.468 213 2HG LYS 28 1HG LYS 28 -7.439 -15.251 -1.545 214 1HD LYS 28 2HD LYS 28 -8.687 -13.222 -2.132 215 2HD LYS 28 1HD LYS 28 -7.308 -12.655 -3.075 216 1HE LYS 28 2HE LYS 28 -7.506 -14.592 -4.545 217 2HE LYS 28 1HE LYS 28 -8.862 -15.191 -3.589 218 1HZ LYS 28 1HZ LYS 28 -9.971 -14.118 -5.242 219 2HZ LYS 28 2HZ LYS 28 -8.763 -12.959 -5.480 220 3HZ LYS 28 3HZ LYS 28 -9.812 -12.829 -4.159 221 H VAL 29 H VAL 29 -3.824 -12.693 0.511 222 HA VAL 29 HA VAL 29 -4.619 -11.353 2.833 223 HB VAL 29 HB VAL 29 -1.812 -11.936 1.861 224 1HG1 VAL 29 1HG1 VAL 29 -1.581 -11.962 4.521 225 2HG1 VAL 29 2HG1 VAL 29 -2.863 -10.761 4.363 226 3HG1 VAL 29 3HG1 VAL 29 -1.317 -10.513 3.552 227 1HG2 VAL 29 1HG2 VAL 29 -2.955 -13.560 4.014 228 2HG2 VAL 29 2HG2 VAL 29 -2.033 -14.045 2.590 229 3HG2 VAL 29 3HG2 VAL 29 -3.764 -13.744 2.457 230 H VAL 30 H VAL 30 -2.780 -10.284 0.031 231 HA VAL 30 HA VAL 30 -2.133 -7.715 1.067 232 HB VAL 30 HB VAL 30 -2.380 -8.549 -1.828 233 1HG1 VAL 30 1HG1 VAL 30 -2.221 -6.044 -1.041 234 2HG1 VAL 30 2HG1 VAL 30 -1.277 -6.620 -2.415 235 3HG1 VAL 30 3HG1 VAL 30 -0.516 -6.446 -0.836 236 1HG2 VAL 30 1HG2 VAL 30 -0.345 -9.517 -1.757 237 2HG2 VAL 30 2HG2 VAL 30 -0.731 -9.721 -0.047 238 3HG2 VAL 30 3HG2 VAL 30 0.274 -8.370 -0.569 239 H LYS 31 H LYS 31 -4.676 -8.893 -1.176 240 HA LYS 31 HA LYS 31 -5.983 -6.498 -1.613 241 1HB LYS 31 2HB LYS 31 -7.115 -9.281 -1.360 242 2HB LYS 31 1HB LYS 31 -8.079 -7.897 -1.854 243 1HG LYS 31 2HG LYS 31 -6.504 -7.548 -3.738 244 2HG LYS 31 1HG LYS 31 -5.698 -9.050 -3.282 245 1HD LYS 31 2HD LYS 31 -7.232 -9.553 -5.042 246 2HD LYS 31 1HD LYS 31 -7.902 -10.207 -3.545 247 1HE LYS 31 2HE LYS 31 -9.638 -9.111 -4.839 248 2HE LYS 31 1HE LYS 31 -9.341 -8.233 -3.338 249 1HZ LYS 31 1HZ LYS 31 -8.116 -6.587 -4.510 250 2HZ LYS 31 2HZ LYS 31 -9.572 -6.808 -5.342 251 3HZ LYS 31 3HZ LYS 31 -8.144 -7.481 -5.945 252 H GLN 32 H GLN 32 -6.313 -8.760 1.070 253 HA GLN 32 HA GLN 32 -8.406 -7.455 2.422 254 1HB GLN 32 2HB GLN 32 -7.585 -9.735 2.982 255 2HB GLN 32 1HB GLN 32 -6.112 -9.024 3.623 256 1HG GLN 32 2HG GLN 32 -7.590 -9.579 5.427 257 2HG GLN 32 1HG GLN 32 -7.437 -7.830 5.307 258 1HE2 GLN 32 1HE2 GLN 32 -9.378 -9.059 2.823 259 2HE2 GLN 32 2HE2 GLN 32 -10.915 -8.739 3.537 260 H PHE 33 H PHE 33 -4.951 -6.970 2.362 261 HA PHE 33 HA PHE 33 -4.572 -5.222 4.477 262 1HB PHE 33 2HB PHE 33 -2.820 -6.267 2.984 263 2HB PHE 33 1HB PHE 33 -3.223 -5.058 1.771 264 HD1 PHE 33 1HD PHE 33 -2.139 -5.352 5.312 265 HD2 PHE 33 2HD PHE 33 -2.035 -3.084 1.705 266 HE1 PHE 33 1HE PHE 33 -0.520 -3.801 6.321 267 HE2 PHE 33 2HE PHE 33 -0.413 -1.540 2.723 268 HZ PHE 33 HZ PHE 33 0.340 -1.910 5.042 269 H PHE 34 H PHE 34 -4.972 -4.300 1.082 270 HA PHE 34 HA PHE 34 -5.518 -1.558 1.625 271 1HB PHE 34 2HB PHE 34 -6.113 -3.137 -0.880 272 2HB PHE 34 1HB PHE 34 -6.022 -1.378 -0.748 273 HD1 PHE 34 1HD PHE 34 -3.746 -0.735 0.693 274 HD2 PHE 34 2HD PHE 34 -4.292 -4.010 -1.955 275 HE1 PHE 34 1HE PHE 34 -1.316 -0.853 0.349 276 HE2 PHE 34 2HE PHE 34 -1.864 -4.133 -2.317 277 HZ PHE 34 HZ PHE 34 -0.380 -2.555 -1.147 278 H ASN 35 H ASN 35 -7.549 -4.353 0.997 279 HA ASN 35 HA ASN 35 -10.045 -3.208 0.703 280 1HB ASN 35 2HB ASN 35 -9.517 -5.642 0.590 281 2HB ASN 35 1HB ASN 35 -9.356 -5.663 2.342 282 1HD2 ASN 35 1HD2 ASN 35 -11.256 -6.675 0.091 283 2HD2 ASN 35 2HD2 ASN 35 -12.817 -6.465 0.804 284 H ASP 36 H ASP 36 -8.157 -3.815 3.578 285 HA ASP 36 HA ASP 36 -10.182 -2.637 5.323 286 1HB ASP 36 2HB ASP 36 -7.572 -4.014 5.974 287 2HB ASP 36 1HB ASP 36 -8.700 -3.389 7.173 288 H ASN 37 H ASN 37 -7.126 -1.763 3.883 289 HA ASN 37 HA ASN 37 -6.593 0.349 5.785 290 1HB ASN 37 2HB ASN 37 -5.362 -0.243 3.084 291 2HB ASN 37 1HB ASN 37 -4.830 1.049 4.151 292 1HD2 ASN 37 1HD2 ASN 37 -3.639 -1.557 3.092 293 2HD2 ASN 37 2HD2 ASN 37 -2.986 -2.295 4.513 294 H GLY 38 H GLY 38 -7.833 0.062 2.527 295 1HA GLY 38 2HA GLY 38 -8.214 2.134 1.199 296 2HA GLY 38 1HA GLY 38 -9.690 1.421 1.809 297 H VAL 39 H VAL 39 -11.048 2.751 2.733 298 HA VAL 39 HA VAL 39 -10.237 5.454 3.240 299 HB VAL 39 HB VAL 39 -12.929 4.141 3.290 300 1HG1 VAL 39 1HG1 VAL 39 -13.614 5.875 4.539 301 2HG1 VAL 39 2HG1 VAL 39 -13.370 6.851 3.091 302 3HG1 VAL 39 3HG1 VAL 39 -12.098 6.747 4.307 303 1HG2 VAL 39 1HG2 VAL 39 -11.981 6.244 1.394 304 2HG2 VAL 39 2HG2 VAL 39 -13.262 5.048 1.185 305 3HG2 VAL 39 3HG2 VAL 39 -11.569 4.549 1.134 306 H ASP 40 H ASP 40 -11.969 3.087 5.372 307 HA ASP 40 HA ASP 40 -11.594 4.920 7.558 308 1HB ASP 40 2HB ASP 40 -12.921 2.216 7.418 309 2HB ASP 40 1HB ASP 40 -12.899 3.246 8.845 310 H GLY 41 H GLY 41 -9.180 3.476 6.433 311 1HA GLY 41 2HA GLY 41 -8.389 1.584 8.430 312 2HA GLY 41 1HA GLY 41 -7.326 2.361 7.262 313 H GLU 42 H GLU 42 -6.457 1.946 9.875 314 HA GLU 42 HA GLU 42 -6.841 4.436 11.327 315 1HB GLU 42 2HB GLU 42 -5.121 2.031 11.968 316 2HB GLU 42 1HB GLU 42 -5.417 3.391 13.043 317 1HG GLU 42 2HG GLU 42 -7.785 2.834 13.114 318 2HG GLU 42 1HG GLU 42 -7.506 1.484 12.014 319 H TRP 43 H TRP 43 -5.836 6.025 10.083 320 HA TRP 43 HA TRP 43 -3.061 5.636 9.301 321 1HB TRP 43 2HB TRP 43 -4.966 7.920 8.781 322 2HB TRP 43 1HB TRP 43 -3.336 7.794 8.128 323 HD1 TRP 43 HD TRP 43 -6.256 5.237 8.176 324 HE1 TRP 43 1HE TRP 43 -6.603 4.389 5.771 325 HE3 TRP 43 3HE TRP 43 -2.704 8.044 5.850 326 HZ2 TRP 43 2HZ TRP 43 -5.493 4.864 3.213 327 HZ3 TRP 43 3HZ TRP 43 -2.401 7.794 3.430 328 HH2 TRP 43 HH TRP 43 -3.766 6.239 2.133 329 H THR 44 H THR 44 -1.502 6.125 10.682 330 HA THR 44 HA THR 44 -1.876 8.417 12.495 331 HB THR 44 HB THR 44 -0.044 7.392 13.848 332 HG1 THR 44 1HG THR 44 -0.392 5.162 12.135 333 1HG2 THR 44 1HG2 THR 44 -1.352 5.245 14.474 334 2HG2 THR 44 2HG2 THR 44 -2.577 5.890 13.380 335 3HG2 THR 44 3HG2 THR 44 -2.064 6.829 14.783 336 H TYR 45 H TYR 45 -0.406 10.093 12.416 337 HA TYR 45 HA TYR 45 1.610 9.901 10.274 338 1HB TYR 45 2HB TYR 45 -0.231 11.497 9.854 339 2HB TYR 45 1HB TYR 45 0.201 12.364 11.321 340 HD1 TYR 45 1HD TYR 45 2.619 10.962 8.896 341 HD2 TYR 45 2HD TYR 45 0.704 14.468 10.357 342 HE1 TYR 45 1HE TYR 45 4.186 12.348 7.604 343 HE2 TYR 45 2HE TYR 45 2.264 15.864 9.069 344 HH TYR 45 HH TYR 45 4.350 14.566 6.679 345 H ASP 46 H ASP 46 3.679 10.661 10.595 346 HA ASP 46 HA ASP 46 4.374 11.458 13.344 347 1HB ASP 46 2HB ASP 46 5.100 9.149 12.915 348 2HB ASP 46 1HB ASP 46 5.980 9.686 11.487 349 H ASP 47 H ASP 47 4.248 13.653 12.655 350 HA ASP 47 HA ASP 47 5.382 14.885 10.508 351 1HB ASP 47 2HB ASP 47 5.420 15.940 13.344 352 2HB ASP 47 1HB ASP 47 5.565 16.908 11.882 353 H ALA 48 H ALA 48 7.044 13.733 13.380 354 HA ALA 48 HA ALA 48 9.469 14.990 13.202 355 1HB ALA 48 1HB ALA 48 8.630 12.317 14.188 356 2HB ALA 48 2HB ALA 48 9.299 13.690 15.070 357 3HB ALA 48 3HB ALA 48 10.354 12.680 14.082 358 H THR 49 H THR 49 8.321 12.319 11.220 359 HA THR 49 HA THR 49 10.778 12.587 9.616 360 HB THR 49 HB THR 49 10.628 10.158 9.113 361 HG1 THR 49 1HG THR 49 8.375 9.981 9.696 362 1HG2 THR 49 1HG2 THR 49 10.738 9.913 11.983 363 2HG2 THR 49 2HG2 THR 49 11.651 11.309 11.411 364 3HG2 THR 49 3HG2 THR 49 12.009 9.702 10.779 365 H LYS 50 H LYS 50 7.770 13.466 9.474 366 HA LYS 50 HA LYS 50 6.175 13.741 7.840 367 1HB LYS 50 2HB LYS 50 8.627 13.376 6.099 368 2HB LYS 50 1HB LYS 50 7.077 13.965 5.519 369 1HG LYS 50 2HG LYS 50 8.487 15.364 7.753 370 2HG LYS 50 1HG LYS 50 8.949 15.651 6.074 371 1HD LYS 50 2HD LYS 50 6.686 16.347 5.540 372 2HD LYS 50 1HD LYS 50 6.161 15.980 7.187 373 1HE LYS 50 2HE LYS 50 6.535 18.377 6.876 374 2HE LYS 50 1HE LYS 50 7.659 17.698 8.054 375 1HZ LYS 50 1HZ LYS 50 9.424 18.033 6.701 376 2HZ LYS 50 2HZ LYS 50 8.444 19.273 6.102 377 3HZ LYS 50 3HZ LYS 50 8.544 17.801 5.275 378 H THR 51 H THR 51 6.694 11.033 8.825 379 HA THR 51 HA THR 51 5.963 9.452 6.455 380 HB THR 51 HB THR 51 7.236 8.578 9.052 381 HG1 THR 51 1HG THR 51 8.819 9.432 7.867 382 1HG2 THR 51 1HG2 THR 51 6.626 6.508 8.606 383 2HG2 THR 51 2HG2 THR 51 7.561 6.594 7.115 384 3HG2 THR 51 3HG2 THR 51 5.848 7.007 7.107 385 H PHE 52 H PHE 52 4.296 7.959 6.566 386 HA PHE 52 HA PHE 52 2.432 8.289 8.830 387 1HB PHE 52 2HB PHE 52 1.689 7.720 5.953 388 2HB PHE 52 1HB PHE 52 0.580 8.011 7.286 389 HD1 PHE 52 1HD PHE 52 -0.367 10.089 7.420 390 HD2 PHE 52 2HD PHE 52 3.463 9.691 5.607 391 HE1 PHE 52 1HE PHE 52 -0.382 12.487 6.870 392 HE2 PHE 52 2HE PHE 52 3.456 12.088 5.058 393 HZ PHE 52 HZ PHE 52 1.531 13.490 5.690 394 H THR 53 H THR 53 1.564 6.438 9.710 395 HA THR 53 HA THR 53 2.441 3.901 8.512 396 HB THR 53 HB THR 53 2.093 3.042 10.945 397 HG1 THR 53 1HG THR 53 2.508 5.810 11.368 398 1HG2 THR 53 1HG2 THR 53 4.435 4.080 11.548 399 2HG2 THR 53 2HG2 THR 53 4.414 4.506 9.836 400 3HG2 THR 53 3HG2 THR 53 4.256 2.818 10.327 401 H VAL 54 H VAL 54 0.920 2.618 7.789 402 HA VAL 54 HA VAL 54 -1.847 3.067 8.681 403 HB VAL 54 HB VAL 54 -0.867 1.707 6.157 404 1HG1 VAL 54 1HG1 VAL 54 -3.673 2.469 6.964 405 2HG1 VAL 54 2HG1 VAL 54 -3.017 0.833 7.012 406 3HG1 VAL 54 3HG1 VAL 54 -3.184 1.671 5.469 407 1HG2 VAL 54 1HG2 VAL 54 -0.673 4.302 6.528 408 2HG2 VAL 54 2HG2 VAL 54 -2.401 4.260 6.182 409 3HG2 VAL 54 3HG2 VAL 54 -1.251 3.647 4.996 410 H THR 55 H THR 55 -2.330 1.730 10.295 411 HA THR 55 HA THR 55 -1.333 -1.023 10.226 412 HB THR 55 HB THR 55 -2.686 0.447 12.490 413 HG1 THR 55 1HG THR 55 -0.556 0.560 13.329 414 1HG2 THR 55 1HG2 THR 55 -1.814 -1.293 13.918 415 2HG2 THR 55 2HG2 THR 55 -1.104 -2.112 12.525 416 3HG2 THR 55 3HG2 THR 55 -2.859 -1.989 12.679 417 H GLU 56 H GLU 56 -2.631 -2.529 9.378 418 HA GLU 56 HA GLU 56 -5.374 -2.004 8.853 419 1HB GLU 56 2HB GLU 56 -5.491 -4.174 7.906 420 2HB GLU 56 1HB GLU 56 -3.881 -3.568 7.540 421 1HG GLU 56 2HG GLU 56 -2.899 -4.945 9.214 422 2HG GLU 56 1HG GLU 56 -4.479 -5.402 9.848 423 1H MET 1 1HT MET 1 6.740 18.186 -2.687 424 2H MET 1 2HT MET 1 7.215 19.582 -1.860 425 3H MET 1 3HT MET 1 5.664 18.948 -1.629 426 HA MET 1 HA MET 1 8.242 17.994 -0.608 427 1HB MET 1 2HB MET 1 5.467 18.438 0.489 428 2HB MET 1 1HB MET 1 6.718 17.611 1.403 429 1HG MET 1 2HG MET 1 8.108 19.576 1.356 430 2HG MET 1 1HG MET 1 6.939 20.415 0.336 431 1HE MET 1 1HE MET 1 6.182 19.205 4.723 432 2HE MET 1 2HE MET 1 7.659 18.849 3.828 433 3HE MET 1 3HE MET 1 6.154 18.035 3.405 434 H GLN 2 H GLN 2 8.701 15.901 -0.297 435 HA GLN 2 HA GLN 2 6.798 13.920 -1.335 436 1HB GLN 2 2HB GLN 2 9.011 13.933 -2.409 437 2HB GLN 2 1HB GLN 2 9.778 13.689 -0.845 438 1HG GLN 2 2HG GLN 2 8.682 11.520 -0.640 439 2HG GLN 2 1HG GLN 2 7.900 11.765 -2.199 440 1HE2 GLN 2 1HE2 GLN 2 10.882 13.122 -2.500 441 2HE2 GLN 2 2HE2 GLN 2 11.747 11.774 -3.138 442 H TYR 3 H TYR 3 6.114 12.226 -0.057 443 HA TYR 3 HA TYR 3 7.031 12.279 2.743 444 1HB TYR 3 2HB TYR 3 4.214 11.824 1.742 445 2HB TYR 3 1HB TYR 3 4.726 11.691 3.421 446 HD1 TYR 3 1HD TYR 3 4.741 13.577 4.806 447 HD2 TYR 3 2HD TYR 3 4.495 14.092 0.592 448 HE1 TYR 3 1HE TYR 3 4.312 15.975 5.131 449 HE2 TYR 3 2HE TYR 3 4.064 16.491 0.904 450 HH TYR 3 HH TYR 3 4.376 18.223 2.535 451 H LYS 4 H LYS 4 7.178 10.355 3.838 452 HA LYS 4 HA LYS 4 7.279 7.968 2.138 453 1HB LYS 4 2HB LYS 4 9.334 8.476 3.343 454 2HB LYS 4 1HB LYS 4 8.458 8.535 4.866 455 1HG LYS 4 2HG LYS 4 9.648 6.459 4.713 456 2HG LYS 4 1HG LYS 4 7.917 6.141 4.609 457 1HD LYS 4 2HD LYS 4 9.141 4.802 2.985 458 2HD LYS 4 1HD LYS 4 8.102 5.972 2.173 459 1HE LYS 4 2HE LYS 4 9.998 7.433 1.787 460 2HE LYS 4 1HE LYS 4 11.050 6.339 2.681 461 1HZ LYS 4 1HZ LYS 4 11.274 5.008 0.922 462 2HZ LYS 4 2HZ LYS 4 10.669 6.296 0.008 463 3HZ LYS 4 3HZ LYS 4 9.630 5.067 0.528 464 H VAL 5 H VAL 5 5.331 6.994 2.118 465 HA VAL 5 HA VAL 5 3.767 6.894 4.576 466 HB VAL 5 HB VAL 5 3.031 6.029 1.776 467 1HG1 VAL 5 1HG1 VAL 5 0.781 5.775 2.575 468 2HG1 VAL 5 2HG1 VAL 5 1.238 6.346 4.180 469 3HG1 VAL 5 3HG1 VAL 5 1.843 4.798 3.588 470 1HG2 VAL 5 1HG2 VAL 5 2.917 8.588 3.194 471 2HG2 VAL 5 2HG2 VAL 5 1.404 8.115 2.421 472 3HG2 VAL 5 3HG2 VAL 5 2.880 8.244 1.464 473 H ILE 6 H ILE 6 4.160 5.313 5.891 474 HA ILE 6 HA ILE 6 5.160 2.746 4.922 475 HB ILE 6 HB ILE 6 4.887 3.825 7.734 476 1HG1 ILE 6 2HG1 ILE 6 7.323 3.417 5.987 477 2HG1 ILE 6 1HG1 ILE 6 6.594 4.969 6.385 478 1HG2 ILE 6 1HG2 ILE 6 5.617 1.876 8.593 479 2HG2 ILE 6 2HG2 ILE 6 6.629 1.511 7.195 480 3HG2 ILE 6 3HG2 ILE 6 4.894 1.207 7.131 481 1HD1 ILE 6 1HD1 ILE 6 8.517 4.654 7.759 482 2HD1 ILE 6 2HD1 ILE 6 7.955 3.061 8.268 483 3HD1 ILE 6 3HD1 ILE 6 7.084 4.508 8.778 484 H LEU 7 H LEU 7 3.924 0.976 4.803 485 HA LEU 7 HA LEU 7 1.224 1.091 5.977 486 1HB LEU 7 2HB LEU 7 2.092 -0.761 3.770 487 2HB LEU 7 1HB LEU 7 0.464 -0.279 4.210 488 HG LEU 7 HG LEU 7 2.526 1.496 2.916 489 1HD1 LEU 7 1HD1 LEU 7 -0.059 0.527 1.737 490 2HD1 LEU 7 2HD1 LEU 7 1.447 -0.370 1.554 491 3HD1 LEU 7 3HD1 LEU 7 1.317 1.271 0.922 492 1HD2 LEU 7 1HD2 LEU 7 -0.381 2.101 3.390 493 2HD2 LEU 7 2HD2 LEU 7 0.903 3.201 2.886 494 3HD2 LEU 7 3HD2 LEU 7 0.881 2.565 4.530 495 H ASN 8 H ASN 8 1.304 0.062 7.923 496 HA ASN 8 HA ASN 8 2.801 -2.463 8.078 497 1HB ASN 8 2HB ASN 8 1.881 -0.652 10.314 498 2HB ASN 8 1HB ASN 8 2.837 -2.118 10.503 499 1HD2 ASN 8 1HD2 ASN 8 4.907 -1.775 10.774 500 2HD2 ASN 8 2HD2 ASN 8 5.813 -0.443 10.150 501 H GLY 9 H GLY 9 1.506 -4.177 7.737 502 1HA GLY 9 2HA GLY 9 -1.145 -4.150 9.039 503 2HA GLY 9 1HA GLY 9 -0.780 -5.049 7.575 504 H LYS 10 H LYS 10 -1.812 -6.732 9.030 505 HA LYS 10 HA LYS 10 -0.181 -7.781 11.135 506 1HB LYS 10 2HB LYS 10 -2.554 -8.998 9.706 507 2HB LYS 10 1HB LYS 10 -1.813 -9.637 11.166 508 1HG LYS 10 2HG LYS 10 -2.419 -7.591 12.364 509 2HG LYS 10 1HG LYS 10 -3.177 -6.967 10.898 510 1HD LYS 10 2HD LYS 10 -4.745 -8.845 10.909 511 2HD LYS 10 1HD LYS 10 -3.979 -9.479 12.367 512 1HE LYS 10 2HE LYS 10 -6.024 -8.268 12.907 513 2HE LYS 10 1HE LYS 10 -4.613 -7.460 13.582 514 1HZ LYS 10 1HZ LYS 10 -6.223 -5.937 12.527 515 2HZ LYS 10 2HZ LYS 10 -5.920 -6.676 11.036 516 3HZ LYS 10 3HZ LYS 10 -4.681 -5.849 11.836 517 H THR 11 H THR 11 -1.093 -8.917 7.884 518 HA THR 11 HA THR 11 1.180 -10.762 7.914 519 HB THR 11 HB THR 11 -0.118 -11.692 5.882 520 HG1 THR 11 1HG THR 11 -1.517 -9.798 5.833 521 1HG2 THR 11 1HG2 THR 11 -2.012 -12.466 7.693 522 2HG2 THR 11 2HG2 THR 11 -0.638 -12.053 8.719 523 3HG2 THR 11 3HG2 THR 11 -0.453 -13.246 7.434 524 H LEU 12 H LEU 12 0.622 -7.715 6.964 525 HA LEU 12 HA LEU 12 2.404 -8.004 4.662 526 1HB LEU 12 2HB LEU 12 0.149 -7.780 3.773 527 2HB LEU 12 1HB LEU 12 -0.096 -6.319 4.712 528 HG LEU 12 HG LEU 12 1.514 -5.123 3.394 529 1HD1 LEU 12 1HD1 LEU 12 3.249 -6.253 2.596 530 2HD1 LEU 12 2HD1 LEU 12 2.192 -6.805 1.295 531 3HD1 LEU 12 3HD1 LEU 12 2.400 -7.787 2.741 532 1HD2 LEU 12 1HD2 LEU 12 0.019 -4.743 1.793 533 2HD2 LEU 12 2HD2 LEU 12 -0.886 -6.129 2.406 534 3HD2 LEU 12 3HD2 LEU 12 0.272 -6.342 1.093 535 H LYS 13 H LYS 13 3.937 -6.494 4.455 536 HA LYS 13 HA LYS 13 3.817 -4.054 6.052 537 1HB LYS 13 2HB LYS 13 6.220 -5.884 6.173 538 2HB LYS 13 1HB LYS 13 5.988 -4.381 7.051 539 1HG LYS 13 2HG LYS 13 5.524 -5.911 8.683 540 2HG LYS 13 1HG LYS 13 3.910 -5.618 8.035 541 1HD LYS 13 2HD LYS 13 4.230 -7.990 8.328 542 2HD LYS 13 1HD LYS 13 4.167 -7.627 6.605 543 1HE LYS 13 2HE LYS 13 6.602 -7.712 6.488 544 2HE LYS 13 1HE LYS 13 6.681 -8.038 8.218 545 1HZ LYS 13 1HZ LYS 13 6.806 -9.983 6.547 546 2HZ LYS 13 2HZ LYS 13 5.126 -9.814 6.460 547 3HZ LYS 13 3HZ LYS 13 5.865 -10.158 7.943 548 H GLY 14 H GLY 14 4.988 -2.343 5.151 549 1HA GLY 14 2HA GLY 14 6.965 -2.687 3.153 550 2HA GLY 14 1HA GLY 14 5.411 -2.397 2.394 551 H GLU 15 H GLU 15 6.971 -0.597 1.642 552 HA GLU 15 HA GLU 15 6.320 1.777 3.224 553 1HB GLU 15 2HB GLU 15 9.060 1.189 2.081 554 2HB GLU 15 1HB GLU 15 8.568 2.729 2.767 555 1HG GLU 15 2HG GLU 15 9.845 1.584 4.400 556 2HG GLU 15 1HG GLU 15 8.164 1.561 4.927 557 H THR 16 H THR 16 5.704 3.493 2.016 558 HA THR 16 HA THR 16 6.161 3.412 -0.870 559 HB THR 16 HB THR 16 4.031 2.534 -0.919 560 HG1 THR 16 1HG THR 16 3.446 5.277 -0.758 561 1HG2 THR 16 1HG2 THR 16 3.135 4.330 1.313 562 2HG2 THR 16 2HG2 THR 16 3.581 2.636 1.497 563 3HG2 THR 16 3HG2 THR 16 2.188 3.082 0.510 564 H THR 17 H THR 17 5.494 5.560 -1.924 565 HA THR 17 HA THR 17 5.761 7.810 -0.071 566 HB THR 17 HB THR 17 7.561 8.800 -1.446 567 HG1 THR 17 1HG THR 17 7.094 7.516 -3.339 568 1HG2 THR 17 1HG2 THR 17 8.795 6.234 -0.811 569 2HG2 THR 17 2HG2 THR 17 7.867 6.950 0.507 570 3HG2 THR 17 3HG2 THR 17 9.180 7.859 -0.243 571 H THR 18 H THR 18 4.299 9.269 -0.513 572 HA THR 18 HA THR 18 3.328 9.604 -3.288 573 HB THR 18 HB THR 18 1.614 8.984 -1.596 574 HG1 THR 18 1HG THR 18 1.098 10.337 -3.393 575 1HG2 THR 18 1HG2 THR 18 0.953 11.135 -0.176 576 2HG2 THR 18 2HG2 THR 18 2.706 11.326 -0.172 577 3HG2 THR 18 3HG2 THR 18 1.980 9.847 0.454 578 H GLU 19 H GLU 19 3.267 11.689 -4.179 579 HA GLU 19 HA GLU 19 4.904 13.686 -2.755 580 1HB GLU 19 2HB GLU 19 5.800 12.961 -4.922 581 2HB GLU 19 1HB GLU 19 4.297 13.421 -5.710 582 1HG GLU 19 2HG GLU 19 4.692 15.753 -5.109 583 2HG GLU 19 1HG GLU 19 6.195 15.292 -4.312 584 H ALA 20 H ALA 20 3.779 15.302 -1.830 585 HA ALA 20 HA ALA 20 1.589 16.517 -3.305 586 1HB ALA 20 1HB ALA 20 0.800 14.603 -1.717 587 2HB ALA 20 2HB ALA 20 -0.093 16.122 -1.796 588 3HB ALA 20 3HB ALA 20 1.023 15.822 -0.463 589 H VAL 21 H VAL 21 1.021 18.573 -2.614 590 HA VAL 21 HA VAL 21 3.040 20.293 -1.904 591 HB VAL 21 HB VAL 21 0.136 20.807 -1.282 592 1HG1 VAL 21 1HG1 VAL 21 2.564 22.458 -1.438 593 2HG1 VAL 21 2HG1 VAL 21 1.078 22.700 -0.518 594 3HG1 VAL 21 3HG1 VAL 21 1.136 23.125 -2.229 595 1HG2 VAL 21 1HG2 VAL 21 1.591 20.692 -3.881 596 2HG2 VAL 21 2HG2 VAL 21 0.289 21.864 -3.668 597 3HG2 VAL 21 3HG2 VAL 21 -0.034 20.139 -3.474 598 H ASP 22 H ASP 22 0.736 18.702 0.240 599 HA ASP 22 HA ASP 22 2.467 19.376 2.497 600 1HB ASP 22 2HB ASP 22 0.434 19.976 3.886 601 2HB ASP 22 1HB ASP 22 0.921 21.161 2.677 602 H ALA 23 H ALA 23 1.679 18.241 4.553 603 HA ALA 23 HA ALA 23 1.674 15.492 4.103 604 1HB ALA 23 1HB ALA 23 1.131 15.300 6.523 605 2HB ALA 23 2HB ALA 23 0.894 17.048 6.563 606 3HB ALA 23 3HB ALA 23 2.482 16.380 6.180 607 H ALA 24 H ALA 24 -0.999 17.688 4.824 608 HA ALA 24 HA ALA 24 -2.987 15.700 5.066 609 1HB ALA 24 1HB ALA 24 -2.896 18.601 4.909 610 2HB ALA 24 2HB ALA 24 -4.027 17.554 5.766 611 3HB ALA 24 3HB ALA 24 -4.294 17.935 4.065 612 H THR 25 H THR 25 -2.175 17.814 2.290 613 HA THR 25 HA THR 25 -3.874 16.645 0.439 614 HB THR 25 HB THR 25 -2.164 17.418 -1.262 615 HG1 THR 25 1HG THR 25 -0.335 17.179 0.077 616 1HG2 THR 25 1HG2 THR 25 -3.869 18.970 -0.701 617 2HG2 THR 25 2HG2 THR 25 -2.332 19.835 -0.700 618 3HG2 THR 25 3HG2 THR 25 -3.082 19.365 0.826 619 H ALA 26 H ALA 26 -0.585 15.771 1.403 620 HA ALA 26 HA ALA 26 -0.239 13.618 -0.370 621 1HB ALA 26 1HB ALA 26 1.362 12.797 1.480 622 2HB ALA 26 2HB ALA 26 0.965 14.313 2.290 623 3HB ALA 26 3HB ALA 26 1.714 14.336 0.693 624 H GLU 27 H GLU 27 -1.335 13.689 3.034 625 HA GLU 27 HA GLU 27 -1.883 11.028 3.405 626 1HB GLU 27 2HB GLU 27 -2.033 12.692 5.192 627 2HB GLU 27 1HB GLU 27 -3.453 13.396 4.433 628 1HG GLU 27 2HG GLU 27 -4.680 11.315 4.795 629 2HG GLU 27 1HG GLU 27 -3.255 10.612 5.559 630 H LYS 28 H LYS 28 -4.005 13.530 2.053 631 HA LYS 28 HA LYS 28 -6.223 11.863 1.583 632 1HB LYS 28 2HB LYS 28 -5.371 14.385 0.145 633 2HB LYS 28 1HB LYS 28 -6.956 13.633 0.012 634 1HG LYS 28 2HG LYS 28 -5.734 14.850 2.477 635 2HG LYS 28 1HG LYS 28 -7.088 15.478 1.534 636 1HD LYS 28 2HD LYS 28 -8.394 13.480 2.103 637 2HD LYS 28 1HD LYS 28 -7.042 12.880 3.067 638 1HE LYS 28 2HE LYS 28 -7.214 14.822 4.533 639 2HE LYS 28 1HE LYS 28 -8.541 15.453 3.558 640 1HZ LYS 28 1HZ LYS 28 -9.698 14.409 5.196 641 2HZ LYS 28 2HZ LYS 28 -8.522 13.220 5.451 642 3HZ LYS 28 3HZ LYS 28 -9.556 13.114 4.116 643 H VAL 29 H VAL 29 -3.508 12.834 -0.473 644 HA VAL 29 HA VAL 29 -4.301 11.513 -2.805 645 HB VAL 29 HB VAL 29 -1.496 12.028 -1.793 646 1HG1 VAL 29 1HG1 VAL 29 -1.224 12.051 -4.449 647 2HG1 VAL 29 2HG1 VAL 29 -2.537 10.882 -4.311 648 3HG1 VAL 29 3HG1 VAL 29 -1.010 10.595 -3.477 649 1HG2 VAL 29 1HG2 VAL 29 -2.569 13.681 -3.959 650 2HG2 VAL 29 2HG2 VAL 29 -1.655 14.142 -2.523 651 3HG2 VAL 29 3HG2 VAL 29 -3.395 13.883 -2.414 652 H VAL 30 H VAL 30 -2.529 10.400 0.022 653 HA VAL 30 HA VAL 30 -1.931 7.817 -1.006 654 HB VAL 30 HB VAL 30 -2.198 8.657 1.885 655 1HG1 VAL 30 1HG1 VAL 30 -2.086 6.148 1.102 656 2HG1 VAL 30 2HG1 VAL 30 -1.150 6.701 2.490 657 3HG1 VAL 30 3HG1 VAL 30 -0.371 6.509 0.921 658 1HG2 VAL 30 1HG2 VAL 30 -0.140 9.574 1.842 659 2HG2 VAL 30 2HG2 VAL 30 -0.495 9.789 0.128 660 3HG2 VAL 30 3HG2 VAL 30 0.469 8.413 0.663 661 H LYS 31 H LYS 31 -4.475 9.055 1.202 662 HA LYS 31 HA LYS 31 -5.847 6.693 1.620 663 1HB LYS 31 2HB LYS 31 -6.905 9.504 1.352 664 2HB LYS 31 1HB LYS 31 -7.911 8.143 1.830 665 1HG LYS 31 2HG LYS 31 -6.371 7.756 3.736 666 2HG LYS 31 1HG LYS 31 -5.522 9.237 3.295 667 1HD LYS 31 2HD LYS 31 -7.070 9.778 5.032 668 2HD LYS 31 1HD LYS 31 -7.701 10.449 3.526 669 1HE LYS 31 2HE LYS 31 -9.483 9.394 4.794 670 2HE LYS 31 1HE LYS 31 -9.186 8.510 3.298 671 1HZ LYS 31 1HZ LYS 31 -8.018 6.834 4.485 672 2HZ LYS 31 2HZ LYS 31 -9.480 7.090 5.297 673 3HZ LYS 31 3HZ LYS 31 -8.044 7.728 5.922 674 H GLN 32 H GLN 32 -6.082 8.962 -1.069 675 HA GLN 32 HA GLN 32 -8.188 7.708 -2.450 676 1HB GLN 32 2HB GLN 32 -7.304 9.968 -2.996 677 2HB GLN 32 1HB GLN 32 -5.840 9.223 -3.617 678 1HG GLN 32 2HG GLN 32 -7.278 9.814 -5.441 679 2HG GLN 32 1HG GLN 32 -7.170 8.061 -5.320 680 1HE2 GLN 32 1HE2 GLN 32 -9.115 9.337 -2.863 681 2HE2 GLN 32 2HE2 GLN 32 -10.648 9.054 -3.598 682 H PHE 33 H PHE 33 -4.746 7.140 -2.342 683 HA PHE 33 HA PHE 33 -4.380 5.381 -4.451 684 1HB PHE 33 2HB PHE 33 -2.626 6.386 -2.934 685 2HB PHE 33 1HB PHE 33 -3.074 5.187 -1.726 686 HD1 PHE 33 1HD PHE 33 -1.934 5.454 -5.252 687 HD2 PHE 33 2HD PHE 33 -1.936 3.186 -1.644 688 HE1 PHE 33 1HE PHE 33 -0.336 3.864 -6.236 689 HE2 PHE 33 2HE PHE 33 -0.337 1.602 -2.638 690 HZ PHE 33 HZ PHE 33 0.459 1.952 -4.947 691 H PHE 34 H PHE 34 -4.850 4.472 -1.063 692 HA PHE 34 HA PHE 34 -5.456 1.744 -1.614 693 1HB PHE 34 2HB PHE 34 -6.047 3.337 0.884 694 2HB PHE 34 1HB PHE 34 -5.998 1.576 0.752 695 HD1 PHE 34 1HD PHE 34 -3.718 0.878 -0.656 696 HD2 PHE 34 2HD PHE 34 -4.219 4.166 1.984 697 HE1 PHE 34 1HE PHE 34 -1.289 0.936 -0.279 698 HE2 PHE 34 2HE PHE 34 -1.796 4.228 2.380 699 HZ PHE 34 HZ PHE 34 -0.334 2.614 1.231 700 H ASN 35 H ASN 35 -7.427 4.588 -1.014 701 HA ASN 35 HA ASN 35 -9.952 3.502 -0.756 702 1HB ASN 35 2HB ASN 35 -9.369 5.921 -0.633 703 2HB ASN 35 1HB ASN 35 -9.182 5.941 -2.383 704 1HD2 ASN 35 1HD2 ASN 35 -11.086 7.008 -0.166 705 2HD2 ASN 35 2HD2 ASN 35 -12.642 6.834 -0.901 706 H ASP 36 H ASP 36 -8.010 4.064 -3.602 707 HA ASP 36 HA ASP 36 -10.038 2.937 -5.378 708 1HB ASP 36 2HB ASP 36 -7.387 4.251 -5.994 709 2HB ASP 36 1HB ASP 36 -8.515 3.652 -7.207 710 H ASN 37 H ASN 37 -7.026 1.988 -3.895 711 HA ASN 37 HA ASN 37 -6.520 -0.135 -5.790 712 1HB ASN 37 2HB ASN 37 -5.312 0.427 -3.071 713 2HB ASN 37 1HB ASN 37 -4.798 -0.879 -4.131 714 1HD2 ASN 37 1HD2 ASN 37 -3.557 1.695 -3.053 715 2HD2 ASN 37 2HD2 ASN 37 -2.866 2.418 -4.464 716 H GLY 38 H GLY 38 -7.794 0.181 -2.548 717 1HA GLY 38 2HA GLY 38 -8.243 -1.880 -1.225 718 2HA GLY 38 1HA GLY 38 -9.693 -1.130 -1.854 719 H VAL 39 H VAL 39 -11.069 -2.428 -2.798 720 HA VAL 39 HA VAL 39 -10.318 -5.151 -3.295 721 HB VAL 39 HB VAL 39 -12.977 -3.772 -3.388 722 1HG1 VAL 39 1HG1 VAL 39 -13.677 -5.488 -4.653 723 2HG1 VAL 39 2HG1 VAL 39 -13.487 -6.470 -3.201 724 3HG1 VAL 39 3HG1 VAL 39 -12.189 -6.398 -4.393 725 1HG2 VAL 39 1HG2 VAL 39 -12.111 -5.900 -1.480 726 2HG2 VAL 39 2HG2 VAL 39 -13.369 -4.679 -1.291 727 3HG2 VAL 39 3HG2 VAL 39 -11.669 -4.214 -1.209 728 H ASP 40 H ASP 40 -11.963 -2.742 -5.451 729 HA ASP 40 HA ASP 40 -11.599 -4.585 -7.633 730 1HB ASP 40 2HB ASP 40 -12.866 -1.850 -7.513 731 2HB ASP 40 1HB ASP 40 -12.852 -2.886 -8.937 732 H GLY 41 H GLY 41 -9.170 -3.198 -6.474 733 1HA GLY 41 2HA GLY 41 -8.304 -1.326 -8.458 734 2HA GLY 41 1HA GLY 41 -7.277 -2.130 -7.276 735 H GLU 42 H GLU 42 -6.362 -1.737 -9.874 736 HA GLU 42 HA GLU 42 -6.786 -4.216 -11.334 737 1HB GLU 42 2HB GLU 42 -4.998 -1.856 -11.950 738 2HB GLU 42 1HB GLU 42 -5.312 -3.207 -13.030 739 1HG GLU 42 2HG GLU 42 -7.664 -2.591 -13.136 740 2HG GLU 42 1HG GLU 42 -7.368 -1.250 -12.031 741 H TRP 43 H TRP 43 -5.838 -5.831 -10.078 742 HA TRP 43 HA TRP 43 -3.065 -5.509 -9.255 743 1HB TRP 43 2HB TRP 43 -5.032 -7.745 -8.762 744 2HB TRP 43 1HB TRP 43 -3.409 -7.659 -8.089 745 HD1 TRP 43 HD TRP 43 -6.265 -5.033 -8.176 746 HE1 TRP 43 1HE TRP 43 -6.625 -4.177 -5.777 747 HE3 TRP 43 3HE TRP 43 -2.815 -7.926 -5.802 748 HZ2 TRP 43 2HZ TRP 43 -5.563 -4.681 -3.201 749 HZ3 TRP 43 3HZ TRP 43 -2.540 -7.683 -3.378 750 HH2 TRP 43 HH TRP 43 -3.885 -6.096 -2.098 751 H THR 44 H THR 44 -1.500 -6.037 -10.615 752 HA THR 44 HA THR 44 -1.903 -8.317 -12.435 753 HB THR 44 HB THR 44 -0.029 -7.337 -13.762 754 HG1 THR 44 1HG THR 44 -0.345 -5.099 -12.053 755 1HG2 THR 44 1HG2 THR 44 -1.274 -5.158 -14.404 756 2HG2 THR 44 2HG2 THR 44 -2.529 -5.774 -13.329 757 3HG2 THR 44 3HG2 THR 44 -2.019 -6.724 -14.725 758 H TYR 45 H TYR 45 -0.476 -10.027 -12.334 759 HA TYR 45 HA TYR 45 1.514 -9.886 -10.163 760 1HB TYR 45 2HB TYR 45 -0.372 -11.436 -9.769 761 2HB TYR 45 1HB TYR 45 0.058 -12.314 -11.232 762 HD1 TYR 45 1HD TYR 45 2.476 -10.971 -8.772 763 HD2 TYR 45 2HD TYR 45 0.498 -14.428 -10.263 764 HE1 TYR 45 1HE TYR 45 3.990 -12.395 -7.460 765 HE2 TYR 45 2HE TYR 45 2.006 -15.863 -8.954 766 HH TYR 45 HH TYR 45 4.090 -14.616 -6.536 767 H ASP 46 H ASP 46 3.568 -10.696 -10.456 768 HA ASP 46 HA ASP 46 4.281 -11.512 -13.195 769 1HB ASP 46 2HB ASP 46 5.058 -9.220 -12.754 770 2HB ASP 46 1HB ASP 46 5.905 -9.779 -11.317 771 H ASP 47 H ASP 47 4.092 -13.702 -12.510 772 HA ASP 47 HA ASP 47 5.165 -14.963 -10.346 773 1HB ASP 47 2HB ASP 47 5.219 -16.015 -13.183 774 2HB ASP 47 1HB ASP 47 5.317 -16.988 -11.718 775 H ALA 48 H ALA 48 6.895 -13.851 -13.193 776 HA ALA 48 HA ALA 48 9.286 -15.167 -12.982 777 1HB ALA 48 1HB ALA 48 8.528 -12.472 -13.980 778 2HB ALA 48 2HB ALA 48 9.174 -13.862 -14.852 779 3HB ALA 48 3HB ALA 48 10.238 -12.877 -13.848 780 H THR 49 H THR 49 8.176 -12.467 -11.017 781 HA THR 49 HA THR 49 10.604 -12.794 -9.379 782 HB THR 49 HB THR 49 10.505 -10.361 -8.879 783 HG1 THR 49 1HG THR 49 8.266 -10.130 -9.494 784 1HG2 THR 49 1HG2 THR 49 10.662 -10.121 -11.747 785 2HG2 THR 49 2HG2 THR 49 11.532 -11.538 -11.162 786 3HG2 THR 49 3HG2 THR 49 11.920 -9.941 -10.525 787 H LYS 50 H LYS 50 7.574 -13.599 -9.280 788 HA LYS 50 HA LYS 50 5.951 -13.836 -7.669 789 1HB LYS 50 2HB LYS 50 8.386 -13.529 -5.894 790 2HB LYS 50 1HB LYS 50 6.813 -14.081 -5.334 791 1HG LYS 50 2HG LYS 50 8.218 -15.516 -7.549 792 2HG LYS 50 1HG LYS 50 8.652 -15.812 -5.864 793 1HD LYS 50 2HD LYS 50 6.367 -16.453 -5.359 794 2HD LYS 50 1HD LYS 50 5.870 -16.075 -7.011 795 1HE LYS 50 2HE LYS 50 6.183 -18.479 -6.697 796 2HE LYS 50 1HE LYS 50 7.336 -17.828 -7.860 797 1HZ LYS 50 1HZ LYS 50 9.078 -18.204 -6.486 798 2HZ LYS 50 2HZ LYS 50 8.061 -19.422 -5.901 799 3HZ LYS 50 3HZ LYS 50 8.183 -17.953 -5.071 800 H THR 51 H THR 51 6.548 -11.141 -8.645 801 HA THR 51 HA THR 51 5.822 -9.543 -6.286 802 HB THR 51 HB THR 51 7.153 -8.699 -8.864 803 HG1 THR 51 1HG THR 51 8.699 -9.592 -7.658 804 1HG2 THR 51 1HG2 THR 51 6.584 -6.616 -8.426 805 2HG2 THR 51 2HG2 THR 51 7.499 -6.724 -6.922 806 3HG2 THR 51 3HG2 THR 51 5.778 -7.096 -6.935 807 H PHE 52 H PHE 52 4.193 -8.010 -6.418 808 HA PHE 52 HA PHE 52 2.355 -8.293 -8.709 809 1HB PHE 52 2HB PHE 52 1.586 -7.707 -5.843 810 2HB PHE 52 1HB PHE 52 0.489 -7.971 -7.192 811 HD1 PHE 52 1HD PHE 52 -0.508 -10.025 -7.338 812 HD2 PHE 52 2HD PHE 52 3.306 -9.720 -5.474 813 HE1 PHE 52 1HE PHE 52 -0.590 -12.421 -6.789 814 HE2 PHE 52 2HE PHE 52 3.232 -12.117 -4.926 815 HZ PHE 52 HZ PHE 52 1.283 -13.471 -5.584 816 H THR 53 H THR 53 1.546 -6.423 -9.599 817 HA THR 53 HA THR 53 2.467 -3.907 -8.389 818 HB THR 53 HB THR 53 2.175 -3.042 -10.827 819 HG1 THR 53 1HG THR 53 2.527 -5.818 -11.245 820 1HG2 THR 53 1HG2 THR 53 4.499 -4.135 -11.397 821 2HG2 THR 53 2HG2 THR 53 4.443 -4.561 -9.686 822 3HG2 THR 53 3HG2 THR 53 4.334 -2.869 -10.179 823 H VAL 54 H VAL 54 0.967 -2.589 -7.688 824 HA VAL 54 HA VAL 54 -1.797 -2.969 -8.618 825 HB VAL 54 HB VAL 54 -0.822 -1.633 -6.080 826 1HG1 VAL 54 1HG1 VAL 54 -3.633 -2.326 -6.928 827 2HG1 VAL 54 2HG1 VAL 54 -2.937 -0.706 -6.965 828 3HG1 VAL 54 3HG1 VAL 54 -3.146 -1.541 -5.426 829 1HG2 VAL 54 1HG2 VAL 54 -0.685 -4.233 -6.448 830 2HG2 VAL 54 2HG2 VAL 54 -2.418 -4.148 -6.127 831 3HG2 VAL 54 3HG2 VAL 54 -1.267 -3.563 -4.925 832 H THR 55 H THR 55 -2.225 -1.622 -10.239 833 HA THR 55 HA THR 55 -1.163 1.106 -10.152 834 HB THR 55 HB THR 55 -2.519 -0.330 -12.437 835 HG1 THR 55 1HG THR 55 -0.380 -0.492 -13.247 836 1HG2 THR 55 1HG2 THR 55 -1.586 1.390 -13.851 837 2HG2 THR 55 2HG2 THR 55 -0.877 2.191 -12.448 838 3HG2 THR 55 3HG2 THR 55 -2.631 2.110 -12.626 839 H GLU 56 H GLU 56 -2.436 2.643 -9.323 840 HA GLU 56 HA GLU 56 -5.197 2.187 -8.838 841 1HB GLU 56 2HB GLU 56 -5.276 4.358 -7.892 842 2HB GLU 56 1HB GLU 56 -3.685 3.713 -7.503 843 1HG GLU 56 2HG GLU 56 -2.647 5.066 -9.162 844 2HG GLU 56 1HG GLU 56 -4.207 5.561 -9.818 Start of MODEL 7 1 1H MET 1 1HT MET 1 6.497 -18.684 2.874 2 2H MET 1 2HT MET 1 5.863 -19.729 1.704 3 3H MET 1 3HT MET 1 4.980 -18.371 2.190 4 HA MET 1 HA MET 1 7.650 -18.099 0.973 5 1HB MET 1 2HB MET 1 6.282 -19.448 -0.547 6 2HB MET 1 1HB MET 1 4.983 -18.271 -0.446 7 1HG MET 1 2HG MET 1 6.321 -16.621 -1.570 8 2HG MET 1 1HG MET 1 7.723 -17.689 -1.551 9 1HE MET 1 1HE MET 1 7.186 -20.237 -4.180 10 2HE MET 1 2HE MET 1 6.334 -20.663 -2.696 11 3HE MET 1 3HE MET 1 7.890 -19.839 -2.613 12 H GLN 2 H GLN 2 8.188 -16.012 0.592 13 HA GLN 2 HA GLN 2 6.332 -13.972 1.582 14 1HB GLN 2 2HB GLN 2 8.539 -14.060 2.670 15 2HB GLN 2 1HB GLN 2 9.319 -13.825 1.110 16 1HG GLN 2 2HG GLN 2 8.292 -11.624 0.917 17 2HG GLN 2 1HG GLN 2 7.491 -11.858 2.470 18 1HE2 GLN 2 1HE2 GLN 2 9.993 -10.371 1.038 19 2HE2 GLN 2 2HE2 GLN 2 11.086 -10.248 2.371 20 H TYR 3 H TYR 3 5.687 -12.284 0.311 21 HA TYR 3 HA TYR 3 6.594 -12.353 -2.490 22 1HB TYR 3 2HB TYR 3 3.828 -11.871 -1.386 23 2HB TYR 3 1HB TYR 3 4.279 -11.480 -3.043 24 HD1 TYR 3 1HD TYR 3 4.098 -13.090 -4.694 25 HD2 TYR 3 2HD TYR 3 4.231 -14.323 -0.627 26 HE1 TYR 3 1HE TYR 3 3.644 -15.400 -5.392 27 HE2 TYR 3 2HE TYR 3 3.770 -16.643 -1.308 28 HH TYR 3 HH TYR 3 3.124 -17.474 -4.688 29 H LYS 4 H LYS 4 6.977 -10.456 -3.531 30 HA LYS 4 HA LYS 4 7.181 -8.085 -1.824 31 1HB LYS 4 2HB LYS 4 9.210 -8.910 -3.040 32 2HB LYS 4 1HB LYS 4 8.382 -8.583 -4.557 33 1HG LYS 4 2HG LYS 4 9.928 -6.800 -4.000 34 2HG LYS 4 1HG LYS 4 8.260 -6.217 -3.988 35 1HD LYS 4 2HD LYS 4 8.211 -6.423 -1.549 36 2HD LYS 4 1HD LYS 4 9.878 -7.003 -1.562 37 1HE LYS 4 2HE LYS 4 8.930 -4.313 -2.522 38 2HE LYS 4 1HE LYS 4 9.749 -4.627 -0.993 39 1HZ LYS 4 1HZ LYS 4 11.502 -4.000 -2.279 40 2HZ LYS 4 2HZ LYS 4 10.830 -4.594 -3.714 41 3HZ LYS 4 3HZ LYS 4 11.524 -5.662 -2.600 42 H VAL 5 H VAL 5 5.276 -6.987 -1.902 43 HA VAL 5 HA VAL 5 3.880 -6.803 -4.454 44 HB VAL 5 HB VAL 5 3.010 -5.932 -1.699 45 1HG1 VAL 5 1HG1 VAL 5 1.868 -4.535 -3.215 46 2HG1 VAL 5 2HG1 VAL 5 0.739 -5.835 -2.836 47 3HG1 VAL 5 3HG1 VAL 5 1.621 -5.850 -4.364 48 1HG2 VAL 5 1HG2 VAL 5 3.245 -8.467 -2.564 49 2HG2 VAL 5 2HG2 VAL 5 1.620 -8.092 -3.141 50 3HG2 VAL 5 3HG2 VAL 5 2.007 -7.932 -1.427 51 H ILE 6 H ILE 6 4.031 -5.138 -5.718 52 HA ILE 6 HA ILE 6 5.200 -2.650 -4.706 53 HB ILE 6 HB ILE 6 4.971 -3.737 -7.513 54 1HG1 ILE 6 2HG1 ILE 6 7.252 -3.289 -5.598 55 2HG1 ILE 6 1HG1 ILE 6 6.736 -4.800 -6.328 56 1HG2 ILE 6 1HG2 ILE 6 4.635 -1.370 -7.657 57 2HG2 ILE 6 2HG2 ILE 6 6.277 -1.733 -8.191 58 3HG2 ILE 6 3HG2 ILE 6 5.999 -1.062 -6.584 59 1HD1 ILE 6 1HD1 ILE 6 8.296 -4.500 -7.863 60 2HD1 ILE 6 2HD1 ILE 6 8.639 -2.874 -7.267 61 3HD1 ILE 6 3HD1 ILE 6 7.368 -3.126 -8.467 62 H LEU 7 H LEU 7 3.966 -0.932 -4.457 63 HA LEU 7 HA LEU 7 1.271 -0.948 -5.623 64 1HB LEU 7 2HB LEU 7 2.210 0.949 -3.491 65 2HB LEU 7 1HB LEU 7 0.578 0.424 -3.852 66 HG LEU 7 HG LEU 7 2.729 -1.217 -2.531 67 1HD1 LEU 7 1HD1 LEU 7 1.388 -1.096 -0.577 68 2HD1 LEU 7 2HD1 LEU 7 0.071 -0.312 -1.452 69 3HD1 LEU 7 3HD1 LEU 7 1.584 0.550 -1.176 70 1HD2 LEU 7 1HD2 LEU 7 1.400 -2.619 -4.000 71 2HD2 LEU 7 2HD2 LEU 7 -0.085 -1.975 -3.302 72 3HD2 LEU 7 3HD2 LEU 7 1.005 -2.947 -2.313 73 H ASN 8 H ASN 8 1.977 -0.260 -7.704 74 HA ASN 8 HA ASN 8 3.318 2.301 -7.932 75 1HB ASN 8 2HB ASN 8 3.915 0.319 -9.339 76 2HB ASN 8 1HB ASN 8 2.330 0.436 -10.096 77 1HD2 ASN 8 1HD2 ASN 8 5.344 0.924 -10.766 78 2HD2 ASN 8 2HD2 ASN 8 5.274 2.354 -11.736 79 H GLY 9 H GLY 9 2.034 4.046 -7.660 80 1HA GLY 9 2HA GLY 9 -0.563 4.042 -9.072 81 2HA GLY 9 1HA GLY 9 -0.274 4.902 -7.571 82 H LYS 10 H LYS 10 -1.210 6.658 -8.911 83 HA LYS 10 HA LYS 10 0.504 7.795 -10.932 84 1HB LYS 10 2HB LYS 10 -1.984 8.913 -9.620 85 2HB LYS 10 1HB LYS 10 -1.188 9.587 -11.034 86 1HG LYS 10 2HG LYS 10 -2.144 6.764 -11.093 87 2HG LYS 10 1HG LYS 10 -3.298 8.081 -11.283 88 1HD LYS 10 2HD LYS 10 -2.546 7.282 -13.452 89 2HD LYS 10 1HD LYS 10 -2.001 8.936 -13.181 90 1HE LYS 10 2HE LYS 10 -0.190 6.688 -12.447 91 2HE LYS 10 1HE LYS 10 -0.384 7.098 -14.150 92 1HZ LYS 10 1HZ LYS 10 0.121 9.325 -12.351 93 2HZ LYS 10 2HZ LYS 10 0.725 9.029 -13.901 94 3HZ LYS 10 3HZ LYS 10 1.407 8.248 -12.566 95 H THR 11 H THR 11 -0.765 8.924 -7.809 96 HA THR 11 HA THR 11 1.454 10.799 -7.574 97 HB THR 11 HB THR 11 -0.019 11.514 -5.544 98 HG1 THR 11 1HG THR 11 -1.399 9.717 -5.626 99 1HG2 THR 11 1HG2 THR 11 -1.161 13.084 -6.802 100 2HG2 THR 11 2HG2 THR 11 -1.353 11.991 -8.173 101 3HG2 THR 11 3HG2 THR 11 0.225 12.694 -7.821 102 H LEU 12 H LEU 12 0.841 7.685 -6.747 103 HA LEU 12 HA LEU 12 2.630 7.876 -4.447 104 1HB LEU 12 2HB LEU 12 0.372 7.740 -3.541 105 2HB LEU 12 1HB LEU 12 0.060 6.298 -4.487 106 HG LEU 12 HG LEU 12 1.542 5.002 -3.174 107 1HD1 LEU 12 1HD1 LEU 12 3.424 5.963 -2.496 108 2HD1 LEU 12 2HD1 LEU 12 2.498 6.612 -1.140 109 3HD1 LEU 12 3HD1 LEU 12 2.723 7.574 -2.597 110 1HD2 LEU 12 1HD2 LEU 12 -0.138 4.839 -1.732 111 2HD2 LEU 12 2HD2 LEU 12 -0.573 6.534 -1.952 112 3HD2 LEU 12 3HD2 LEU 12 0.656 6.085 -0.769 113 H LYS 13 H LYS 13 4.095 6.309 -4.269 114 HA LYS 13 HA LYS 13 3.874 3.869 -5.848 115 1HB LYS 13 2HB LYS 13 6.243 5.742 -6.084 116 2HB LYS 13 1HB LYS 13 6.111 4.155 -6.829 117 1HG LYS 13 2HG LYS 13 4.258 4.931 -8.199 118 2HG LYS 13 1HG LYS 13 4.338 6.516 -7.425 119 1HD LYS 13 2HD LYS 13 5.453 6.542 -9.595 120 2HD LYS 13 1HD LYS 13 6.603 6.829 -8.287 121 1HE LYS 13 2HE LYS 13 7.524 5.293 -9.939 122 2HE LYS 13 1HE LYS 13 7.303 4.491 -8.384 123 1HZ LYS 13 1HZ LYS 13 5.719 3.138 -9.207 124 2HZ LYS 13 2HZ LYS 13 6.490 3.453 -10.678 125 3HZ LYS 13 3HZ LYS 13 5.087 4.303 -10.261 126 H GLY 14 H GLY 14 5.164 2.146 -4.982 127 1HA GLY 14 2HA GLY 14 7.079 2.613 -2.934 128 2HA GLY 14 1HA GLY 14 5.527 2.205 -2.229 129 H GLU 15 H GLU 15 7.081 0.549 -1.379 130 HA GLU 15 HA GLU 15 6.824 -1.893 -2.978 131 1HB GLU 15 2HB GLU 15 9.325 -1.015 -1.512 132 2HB GLU 15 1HB GLU 15 9.099 -2.577 -2.278 133 1HG GLU 15 2HG GLU 15 9.030 0.049 -3.739 134 2HG GLU 15 1HG GLU 15 10.451 -0.982 -3.604 135 H THR 16 H THR 16 5.886 -3.467 -1.817 136 HA THR 16 HA THR 16 6.196 -3.444 1.098 137 HB THR 16 HB THR 16 4.089 -2.508 1.016 138 HG1 THR 16 1HG THR 16 3.462 -5.231 0.787 139 1HG2 THR 16 1HG2 THR 16 3.786 -2.555 -1.415 140 2HG2 THR 16 2HG2 THR 16 2.328 -3.013 -0.538 141 3HG2 THR 16 3HG2 THR 16 3.320 -4.250 -1.304 142 H THR 17 H THR 17 5.410 -5.560 2.097 143 HA THR 17 HA THR 17 5.696 -7.824 0.269 144 HB THR 17 HB THR 17 7.355 -8.875 1.799 145 HG1 THR 17 1HG THR 17 7.682 -7.931 3.624 146 1HG2 THR 17 1HG2 THR 17 8.275 -7.909 -0.157 147 2HG2 THR 17 2HG2 THR 17 9.292 -7.419 1.198 148 3HG2 THR 17 3HG2 THR 17 8.136 -6.280 0.506 149 H THR 18 H THR 18 4.126 -9.196 0.625 150 HA THR 18 HA THR 18 2.999 -9.490 3.349 151 HB THR 18 HB THR 18 1.409 -8.735 1.604 152 HG1 THR 18 1HG THR 18 0.710 -10.096 3.332 153 1HG2 THR 18 1HG2 THR 18 0.639 -10.563 -0.008 154 2HG2 THR 18 2HG2 THR 18 2.238 -11.264 0.244 155 3HG2 THR 18 3HG2 THR 18 2.082 -9.638 -0.422 156 H GLU 19 H GLU 19 2.784 -11.556 4.220 157 HA GLU 19 HA GLU 19 4.359 -13.661 2.885 158 1HB GLU 19 2HB GLU 19 5.176 -13.058 5.084 159 2HB GLU 19 1HB GLU 19 3.577 -13.264 5.782 160 1HG GLU 19 2HG GLU 19 5.010 -15.129 6.342 161 2HG GLU 19 1HG GLU 19 3.676 -15.656 5.318 162 H ALA 20 H ALA 20 3.179 -15.174 1.832 163 HA ALA 20 HA ALA 20 0.829 -16.277 3.148 164 1HB ALA 20 1HB ALA 20 0.400 -15.703 0.291 165 2HB ALA 20 2HB ALA 20 0.389 -14.312 1.374 166 3HB ALA 20 3HB ALA 20 -0.728 -15.650 1.645 167 H VAL 21 H VAL 21 0.276 -18.327 2.497 168 HA VAL 21 HA VAL 21 2.267 -20.105 1.856 169 HB VAL 21 HB VAL 21 -0.647 -20.536 1.193 170 1HG1 VAL 21 1HG1 VAL 21 -0.225 -22.839 1.374 171 2HG1 VAL 21 2HG1 VAL 21 1.355 -22.577 2.113 172 3HG1 VAL 21 3HG1 VAL 21 1.106 -22.204 0.407 173 1HG2 VAL 21 1HG2 VAL 21 -0.535 -21.616 3.568 174 2HG2 VAL 21 2HG2 VAL 21 -0.794 -19.880 3.393 175 3HG2 VAL 21 3HG2 VAL 21 0.808 -20.496 3.797 176 H ASP 22 H ASP 22 0.303 -18.253 -0.350 177 HA ASP 22 HA ASP 22 2.021 -19.056 -2.535 178 1HB ASP 22 2HB ASP 22 0.264 -19.831 -4.021 179 2HB ASP 22 1HB ASP 22 0.292 -20.817 -2.563 180 H ALA 23 H ALA 23 1.178 -17.949 -4.662 181 HA ALA 23 HA ALA 23 1.283 -15.194 -4.218 182 1HB ALA 23 1HB ALA 23 0.190 -15.528 -6.768 183 2HB ALA 23 2HB ALA 23 1.184 -16.956 -6.492 184 3HB ALA 23 3HB ALA 23 1.894 -15.348 -6.351 185 H ALA 24 H ALA 24 -1.469 -17.289 -4.952 186 HA ALA 24 HA ALA 24 -3.375 -15.218 -5.185 187 1HB ALA 24 1HB ALA 24 -4.874 -16.876 -5.499 188 2HB ALA 24 2HB ALA 24 -4.344 -17.767 -4.074 189 3HB ALA 24 3HB ALA 24 -3.444 -17.903 -5.585 190 H THR 25 H THR 25 -2.632 -17.373 -2.426 191 HA THR 25 HA THR 25 -4.294 -16.220 -0.554 192 HB THR 25 HB THR 25 -2.621 -17.022 1.126 193 HG1 THR 25 1HG THR 25 -1.067 -17.174 -1.149 194 1HG2 THR 25 1HG2 THR 25 -2.538 -19.449 0.238 195 2HG2 THR 25 2HG2 THR 25 -3.577 -18.821 -1.043 196 3HG2 THR 25 3HG2 THR 25 -4.090 -18.716 0.640 197 H ALA 26 H ALA 26 -0.995 -15.330 -1.500 198 HA ALA 26 HA ALA 26 -0.668 -13.184 0.285 199 1HB ALA 26 1HB ALA 26 1.119 -14.280 -1.140 200 2HB ALA 26 2HB ALA 26 1.170 -12.519 -1.060 201 3HB ALA 26 3HB ALA 26 0.509 -13.317 -2.486 202 H GLU 27 H GLU 27 -1.751 -13.244 -3.121 203 HA GLU 27 HA GLU 27 -2.306 -10.564 -3.440 204 1HB GLU 27 2HB GLU 27 -2.363 -12.187 -5.272 205 2HB GLU 27 1HB GLU 27 -3.806 -12.919 -4.584 206 1HG GLU 27 2HG GLU 27 -5.037 -10.840 -4.942 207 2HG GLU 27 1HG GLU 27 -3.589 -10.103 -5.626 208 H LYS 28 H LYS 28 -4.382 -13.136 -2.170 209 HA LYS 28 HA LYS 28 -6.657 -11.513 -1.743 210 1HB LYS 28 2HB LYS 28 -5.838 -14.073 -0.355 211 2HB LYS 28 1HB LYS 28 -7.438 -13.348 -0.289 212 1HG LYS 28 2HG LYS 28 -6.065 -14.483 -2.711 213 2HG LYS 28 1HG LYS 28 -7.462 -15.148 -1.864 214 1HD LYS 28 2HD LYS 28 -8.773 -13.182 -2.478 215 2HD LYS 28 1HD LYS 28 -7.372 -12.501 -3.308 216 1HE LYS 28 2HE LYS 28 -7.359 -14.403 -4.845 217 2HE LYS 28 1HE LYS 28 -8.755 -15.089 -4.013 218 1HZ LYS 28 1HZ LYS 28 -10.157 -13.637 -4.981 219 2HZ LYS 28 2HZ LYS 28 -8.954 -13.560 -6.166 220 3HZ LYS 28 3HZ LYS 28 -9.046 -12.361 -4.977 221 H VAL 29 H VAL 29 -4.038 -12.574 0.410 222 HA VAL 29 HA VAL 29 -4.938 -11.343 2.746 223 HB VAL 29 HB VAL 29 -2.078 -11.775 1.856 224 1HG1 VAL 29 1HG1 VAL 29 -1.426 -10.775 3.725 225 2HG1 VAL 29 2HG1 VAL 29 -2.384 -11.910 4.675 226 3HG1 VAL 29 3HG1 VAL 29 -3.104 -10.400 4.118 227 1HG2 VAL 29 1HG2 VAL 29 -2.241 -13.924 2.480 228 2HG2 VAL 29 2HG2 VAL 29 -3.979 -13.683 2.293 229 3HG2 VAL 29 3HG2 VAL 29 -3.234 -13.541 3.886 230 H VAL 30 H VAL 30 -3.005 -10.091 0.074 231 HA VAL 30 HA VAL 30 -2.476 -7.549 1.213 232 HB VAL 30 HB VAL 30 -2.725 -8.218 -1.726 233 1HG1 VAL 30 1HG1 VAL 30 -1.461 -6.276 -2.153 234 2HG1 VAL 30 2HG1 VAL 30 -1.005 -6.103 -0.461 235 3HG1 VAL 30 3HG1 VAL 30 -2.663 -5.784 -0.960 236 1HG2 VAL 30 1HG2 VAL 30 -0.744 -9.257 -1.695 237 2HG2 VAL 30 2HG2 VAL 30 -0.999 -9.406 0.044 238 3HG2 VAL 30 3HG2 VAL 30 -0.040 -8.071 -0.594 239 H LYS 31 H LYS 31 -5.030 -8.740 -0.992 240 HA LYS 31 HA LYS 31 -6.416 -6.402 -1.430 241 1HB LYS 31 2HB LYS 31 -7.424 -9.219 -1.067 242 2HB LYS 31 1HB LYS 31 -8.484 -7.886 -1.502 243 1HG LYS 31 2HG LYS 31 -7.310 -7.521 -3.542 244 2HG LYS 31 1HG LYS 31 -6.057 -8.675 -3.089 245 1HD LYS 31 2HD LYS 31 -7.532 -9.723 -4.668 246 2HD LYS 31 1HD LYS 31 -7.789 -10.462 -3.088 247 1HE LYS 31 2HE LYS 31 -9.499 -8.241 -4.190 248 2HE LYS 31 1HE LYS 31 -9.873 -9.951 -4.398 249 1HZ LYS 31 1HZ LYS 31 -10.955 -9.766 -2.481 250 2HZ LYS 31 2HZ LYS 31 -10.264 -8.267 -2.118 251 3HZ LYS 31 3HZ LYS 31 -9.445 -9.693 -1.722 252 H GLN 32 H GLN 32 -6.652 -8.611 1.308 253 HA GLN 32 HA GLN 32 -8.697 -7.277 2.705 254 1HB GLN 32 2HB GLN 32 -7.881 -9.551 3.279 255 2HB GLN 32 1HB GLN 32 -6.375 -8.849 3.852 256 1HG GLN 32 2HG GLN 32 -7.777 -9.347 5.725 257 2HG GLN 32 1HG GLN 32 -7.632 -7.602 5.558 258 1HE2 GLN 32 1HE2 GLN 32 -9.669 -8.865 3.178 259 2HE2 GLN 32 2HE2 GLN 32 -11.175 -8.538 3.950 260 H PHE 33 H PHE 33 -5.238 -6.813 2.530 261 HA PHE 33 HA PHE 33 -4.795 -5.028 4.606 262 1HB PHE 33 2HB PHE 33 -3.088 -6.112 3.064 263 2HB PHE 33 1HB PHE 33 -3.498 -4.882 1.876 264 HD1 PHE 33 1HD PHE 33 -2.533 -5.094 5.471 265 HD2 PHE 33 2HD PHE 33 -2.130 -3.058 1.748 266 HE1 PHE 33 1HE PHE 33 -0.906 -3.546 6.481 267 HE2 PHE 33 2HE PHE 33 -0.497 -1.524 2.761 268 HZ PHE 33 HZ PHE 33 0.114 -1.773 5.138 269 H PHE 34 H PHE 34 -5.294 -4.186 1.202 270 HA PHE 34 HA PHE 34 -5.784 -1.428 1.708 271 1HB PHE 34 2HB PHE 34 -6.455 -3.067 -0.740 272 2HB PHE 34 1HB PHE 34 -6.414 -1.304 -0.656 273 HD1 PHE 34 1HD PHE 34 -4.049 -0.781 0.913 274 HD2 PHE 34 2HD PHE 34 -4.702 -3.689 -2.117 275 HE1 PHE 34 1HE PHE 34 -1.638 -0.826 0.449 276 HE2 PHE 34 2HE PHE 34 -2.289 -3.738 -2.596 277 HZ PHE 34 HZ PHE 34 -0.762 -2.304 -1.297 278 H ASN 35 H ASN 35 -7.858 -4.214 1.208 279 HA ASN 35 HA ASN 35 -10.347 -3.048 0.978 280 1HB ASN 35 2HB ASN 35 -9.903 -5.479 0.867 281 2HB ASN 35 1HB ASN 35 -9.597 -5.498 2.599 282 1HD2 ASN 35 1HD2 ASN 35 -11.686 -6.564 0.583 283 2HD2 ASN 35 2HD2 ASN 35 -13.181 -6.293 1.407 284 H ASP 36 H ASP 36 -8.386 -3.625 3.808 285 HA ASP 36 HA ASP 36 -10.356 -2.379 5.568 286 1HB ASP 36 2HB ASP 36 -7.754 -3.775 6.207 287 2HB ASP 36 1HB ASP 36 -8.866 -3.125 7.406 288 H ASN 37 H ASN 37 -7.347 -1.579 4.013 289 HA ASN 37 HA ASN 37 -6.728 0.568 5.852 290 1HB ASN 37 2HB ASN 37 -5.594 -0.087 3.121 291 2HB ASN 37 1HB ASN 37 -5.019 1.222 4.144 292 1HD2 ASN 37 1HD2 ASN 37 -3.836 -1.365 3.085 293 2HD2 ASN 37 2HD2 ASN 37 -3.146 -2.092 4.494 294 H GLY 38 H GLY 38 -7.976 0.228 2.591 295 1HA GLY 38 2HA GLY 38 -8.411 2.260 1.240 296 2HA GLY 38 1HA GLY 38 -9.876 1.558 1.892 297 H VAL 39 H VAL 39 -11.218 2.927 2.751 298 HA VAL 39 HA VAL 39 -10.239 5.581 3.538 299 HB VAL 39 HB VAL 39 -13.037 4.689 2.921 300 1HG1 VAL 39 1HG1 VAL 39 -11.813 7.308 3.624 301 2HG1 VAL 39 2HG1 VAL 39 -13.387 6.641 4.060 302 3HG1 VAL 39 3HG1 VAL 39 -13.124 7.291 2.443 303 1HG2 VAL 39 1HG2 VAL 39 -11.554 4.426 0.990 304 2HG2 VAL 39 2HG2 VAL 39 -11.069 6.114 1.140 305 3HG2 VAL 39 3HG2 VAL 39 -12.738 5.710 0.736 306 H ASP 40 H ASP 40 -11.000 2.817 5.251 307 HA ASP 40 HA ASP 40 -12.088 4.453 7.436 308 1HB ASP 40 2HB ASP 40 -12.770 1.579 6.791 309 2HB ASP 40 1HB ASP 40 -13.328 2.462 8.210 310 H GLY 41 H GLY 41 -9.300 3.312 6.591 311 1HA GLY 41 2HA GLY 41 -8.660 1.581 8.816 312 2HA GLY 41 1HA GLY 41 -7.538 2.185 7.606 313 H GLU 42 H GLU 42 -6.593 2.100 10.072 314 HA GLU 42 HA GLU 42 -6.947 4.740 11.298 315 1HB GLU 42 2HB GLU 42 -5.438 2.313 12.290 316 2HB GLU 42 1HB GLU 42 -5.655 3.812 13.182 317 1HG GLU 42 2HG GLU 42 -7.854 1.945 12.319 318 2HG GLU 42 1HG GLU 42 -7.180 2.070 13.943 319 H TRP 43 H TRP 43 -5.762 6.181 10.151 320 HA TRP 43 HA TRP 43 -3.049 5.497 9.336 321 1HB TRP 43 2HB TRP 43 -4.717 7.946 8.759 322 2HB TRP 43 1HB TRP 43 -3.149 7.581 8.050 323 HD1 TRP 43 HD TRP 43 -6.329 5.344 8.352 324 HE1 TRP 43 1HE TRP 43 -6.883 4.483 5.977 325 HE3 TRP 43 3HE TRP 43 -2.660 7.744 5.741 326 HZ2 TRP 43 2HZ TRP 43 -5.886 4.783 3.362 327 HZ3 TRP 43 3HZ TRP 43 -2.525 7.408 3.316 328 HH2 TRP 43 HH TRP 43 -4.106 5.958 2.146 329 H THR 44 H THR 44 -1.377 5.986 10.591 330 HA THR 44 HA THR 44 -1.595 8.286 12.415 331 HB THR 44 HB THR 44 0.261 7.198 13.680 332 HG1 THR 44 1HG THR 44 0.992 5.933 11.843 333 1HG2 THR 44 1HG2 THR 44 -1.055 5.154 14.435 334 2HG2 THR 44 2HG2 THR 44 -2.290 5.681 13.292 335 3HG2 THR 44 3HG2 THR 44 -1.816 6.734 14.626 336 H TYR 45 H TYR 45 -0.140 9.941 12.254 337 HA TYR 45 HA TYR 45 1.785 9.759 10.036 338 1HB TYR 45 2HB TYR 45 0.091 11.484 9.750 339 2HB TYR 45 1HB TYR 45 0.503 12.182 11.312 340 HD1 TYR 45 1HD TYR 45 2.680 11.022 8.507 341 HD2 TYR 45 2HD TYR 45 1.376 14.289 10.902 342 HE1 TYR 45 1HE TYR 45 4.335 12.476 7.415 343 HE2 TYR 45 2HE TYR 45 3.027 15.752 9.814 344 HH TYR 45 HH TYR 45 4.329 15.892 7.813 345 H ASP 46 H ASP 46 3.894 10.410 10.259 346 HA ASP 46 HA ASP 46 4.817 10.960 13.002 347 1HB ASP 46 2HB ASP 46 5.412 8.673 12.331 348 2HB ASP 46 1HB ASP 46 6.208 9.296 10.889 349 H ASP 47 H ASP 47 4.678 13.204 12.455 350 HA ASP 47 HA ASP 47 5.768 14.549 10.345 351 1HB ASP 47 2HB ASP 47 5.818 15.409 13.243 352 2HB ASP 47 1HB ASP 47 6.041 16.480 11.863 353 H ALA 48 H ALA 48 7.488 13.257 13.132 354 HA ALA 48 HA ALA 48 9.917 14.501 12.945 355 1HB ALA 48 1HB ALA 48 9.978 13.128 14.723 356 2HB ALA 48 2HB ALA 48 10.723 12.004 13.587 357 3HB ALA 48 3HB ALA 48 8.998 11.893 13.935 358 H THR 49 H THR 49 8.679 11.953 10.867 359 HA THR 49 HA THR 49 11.077 12.285 9.191 360 HB THR 49 HB THR 49 10.903 9.895 8.566 361 HG1 THR 49 1HG THR 49 9.229 8.807 9.152 362 1HG2 THR 49 1HG2 THR 49 11.349 8.991 11.007 363 2HG2 THR 49 2HG2 THR 49 11.465 10.717 11.353 364 3HG2 THR 49 3HG2 THR 49 12.523 9.986 10.145 365 H LYS 50 H LYS 50 8.110 13.248 9.214 366 HA LYS 50 HA LYS 50 6.441 13.633 7.678 367 1HB LYS 50 2HB LYS 50 8.581 13.174 5.596 368 2HB LYS 50 1HB LYS 50 7.181 14.231 5.491 369 1HG LYS 50 2HG LYS 50 9.505 14.636 7.363 370 2HG LYS 50 1HG LYS 50 9.302 15.446 5.810 371 1HD LYS 50 2HD LYS 50 7.166 15.601 7.902 372 2HD LYS 50 1HD LYS 50 8.569 16.672 7.967 373 1HE LYS 50 2HE LYS 50 6.871 17.851 6.825 374 2HE LYS 50 1HE LYS 50 8.017 17.319 5.595 375 1HZ LYS 50 1HZ LYS 50 5.400 16.964 5.412 376 2HZ LYS 50 2HZ LYS 50 5.823 15.510 6.163 377 3HZ LYS 50 3HZ LYS 50 6.524 15.932 4.682 378 H THR 51 H THR 51 6.896 10.903 8.545 379 HA THR 51 HA THR 51 6.180 9.359 6.160 380 HB THR 51 HB THR 51 7.235 8.475 8.848 381 HG1 THR 51 1HG THR 51 8.689 9.507 7.296 382 1HG2 THR 51 1HG2 THR 51 7.505 6.497 6.804 383 2HG2 THR 51 2HG2 THR 51 5.806 6.906 7.029 384 3HG2 THR 51 3HG2 THR 51 6.772 6.367 8.402 385 H PHE 52 H PHE 52 4.426 7.951 6.146 386 HA PHE 52 HA PHE 52 2.401 8.445 8.230 387 1HB PHE 52 2HB PHE 52 2.028 7.813 5.296 388 2HB PHE 52 1HB PHE 52 0.719 7.903 6.468 389 HD1 PHE 52 1HD PHE 52 0.393 10.115 7.699 390 HD2 PHE 52 2HD PHE 52 2.744 9.714 4.173 391 HE1 PHE 52 1HE PHE 52 0.183 12.532 7.286 392 HE2 PHE 52 2HE PHE 52 2.539 12.128 3.757 393 HZ PHE 52 HZ PHE 52 1.258 13.541 5.316 394 H THR 53 H THR 53 2.031 6.745 9.478 395 HA THR 53 HA THR 53 2.591 4.063 8.420 396 HB THR 53 HB THR 53 2.313 3.443 10.938 397 HG1 THR 53 1HG THR 53 3.072 6.152 11.192 398 1HG2 THR 53 1HG2 THR 53 4.432 3.024 10.331 399 2HG2 THR 53 2HG2 THR 53 4.744 4.464 11.304 400 3HG2 THR 53 3HG2 THR 53 4.638 4.593 9.549 401 H VAL 54 H VAL 54 1.034 2.778 7.893 402 HA VAL 54 HA VAL 54 -1.691 3.318 8.878 403 HB VAL 54 HB VAL 54 -0.855 1.825 6.376 404 1HG1 VAL 54 1HG1 VAL 54 -3.200 1.576 7.798 405 2HG1 VAL 54 2HG1 VAL 54 -2.976 1.182 6.094 406 3HG1 VAL 54 3HG1 VAL 54 -3.606 2.763 6.558 407 1HG2 VAL 54 1HG2 VAL 54 -2.246 3.967 5.499 408 2HG2 VAL 54 2HG2 VAL 54 -0.489 3.921 5.634 409 3HG2 VAL 54 3HG2 VAL 54 -1.452 4.657 6.915 410 H THR 55 H THR 55 -2.022 2.044 10.608 411 HA THR 55 HA THR 55 -0.935 -0.672 10.574 412 HB THR 55 HB THR 55 -2.258 0.748 12.883 413 HG1 THR 55 1HG THR 55 -0.432 1.906 12.343 414 1HG2 THR 55 1HG2 THR 55 -0.860 -0.833 14.213 415 2HG2 THR 55 2HG2 THR 55 -0.501 -1.684 12.709 416 3HG2 THR 55 3HG2 THR 55 -2.163 -1.591 13.297 417 H GLU 56 H GLU 56 -2.153 -2.292 9.946 418 HA GLU 56 HA GLU 56 -4.858 -2.134 9.322 419 1HB GLU 56 2HB GLU 56 -3.387 -3.853 8.411 420 2HB GLU 56 1HB GLU 56 -3.191 -4.562 10.009 421 1HG GLU 56 2HG GLU 56 -4.741 -5.853 8.661 422 2HG GLU 56 1HG GLU 56 -5.556 -5.142 10.055 423 1H MET 1 1HT MET 1 6.989 18.573 -2.689 424 2H MET 1 2HT MET 1 6.364 19.633 -1.529 425 3H MET 1 3HT MET 1 5.456 18.298 -2.028 426 HA MET 1 HA MET 1 8.100 17.961 -0.772 427 1HB MET 1 2HB MET 1 6.745 19.343 0.728 428 2HB MET 1 1HB MET 1 5.419 18.198 0.609 429 1HG MET 1 2HG MET 1 6.700 16.516 1.751 430 2HG MET 1 1HG MET 1 8.127 17.549 1.753 431 1HE MET 1 1HE MET 1 7.615 20.110 4.373 432 2HE MET 1 2HE MET 1 6.794 20.556 2.878 433 3HE MET 1 3HE MET 1 8.332 19.695 2.817 434 H GLN 2 H GLN 2 8.582 15.861 -0.384 435 HA GLN 2 HA GLN 2 6.691 13.866 -1.402 436 1HB GLN 2 2HB GLN 2 8.915 13.901 -2.456 437 2HB GLN 2 1HB GLN 2 9.665 13.648 -0.886 438 1HG GLN 2 2HG GLN 2 8.583 11.472 -0.709 439 2HG GLN 2 1HG GLN 2 7.810 11.725 -2.273 440 1HE2 GLN 2 1HE2 GLN 2 10.257 10.177 -0.805 441 2HE2 GLN 2 2HE2 GLN 2 11.364 10.028 -2.123 442 H TYR 3 H TYR 3 5.987 12.194 -0.139 443 HA TYR 3 HA TYR 3 6.857 12.242 2.674 444 1HB TYR 3 2HB TYR 3 4.096 11.827 1.530 445 2HB TYR 3 1HB TYR 3 4.514 11.426 3.193 446 HD1 TYR 3 1HD TYR 3 4.348 13.040 4.844 447 HD2 TYR 3 2HD TYR 3 4.568 14.269 0.778 448 HE1 TYR 3 1HE TYR 3 3.939 15.361 5.534 449 HE2 TYR 3 2HE TYR 3 4.155 16.599 1.452 450 HH TYR 3 HH TYR 3 3.481 17.447 4.824 451 H LYS 4 H LYS 4 7.177 10.337 3.721 452 HA LYS 4 HA LYS 4 7.349 7.961 2.015 453 1HB LYS 4 2HB LYS 4 9.380 8.738 3.260 454 2HB LYS 4 1HB LYS 4 8.523 8.430 4.765 455 1HG LYS 4 2HG LYS 4 10.033 6.610 4.230 456 2HG LYS 4 1HG LYS 4 8.353 6.068 4.194 457 1HD LYS 4 2HD LYS 4 8.341 6.276 1.756 458 2HD LYS 4 1HD LYS 4 10.022 6.814 1.791 459 1HE LYS 4 2HE LYS 4 8.995 4.148 2.739 460 2HE LYS 4 1HE LYS 4 9.843 4.442 1.221 461 1HZ LYS 4 1HZ LYS 4 11.563 3.772 2.530 462 2HZ LYS 4 2HZ LYS 4 10.885 4.383 3.956 463 3HZ LYS 4 3HZ LYS 4 11.622 5.432 2.852 464 H VAL 5 H VAL 5 5.418 6.910 2.067 465 HA VAL 5 HA VAL 5 3.981 6.760 4.599 466 HB VAL 5 HB VAL 5 3.129 5.911 1.832 467 1HG1 VAL 5 1HG1 VAL 5 1.931 4.541 3.331 468 2HG1 VAL 5 2HG1 VAL 5 0.840 5.869 2.937 469 3HG1 VAL 5 3HG1 VAL 5 1.700 5.862 4.477 470 1HG2 VAL 5 1HG2 VAL 5 3.412 8.438 2.700 471 2HG2 VAL 5 2HG2 VAL 5 1.772 8.105 3.254 472 3HG2 VAL 5 3HG2 VAL 5 2.178 7.935 1.546 473 H ILE 6 H ILE 6 4.073 5.092 5.865 474 HA ILE 6 HA ILE 6 5.196 2.576 4.869 475 HB ILE 6 HB ILE 6 4.954 3.669 7.671 476 1HG1 ILE 6 2HG1 ILE 6 7.250 3.167 5.790 477 2HG1 ILE 6 1HG1 ILE 6 6.759 4.688 6.512 478 1HG2 ILE 6 1HG2 ILE 6 4.558 1.312 7.812 479 2HG2 ILE 6 2HG2 ILE 6 6.199 1.633 8.369 480 3HG2 ILE 6 3HG2 ILE 6 5.931 0.969 6.757 481 1HD1 ILE 6 1HD1 ILE 6 8.291 4.351 8.068 482 2HD1 ILE 6 2HD1 ILE 6 8.603 2.718 7.478 483 3HD1 ILE 6 3HD1 ILE 6 7.322 3.001 8.660 484 H LEU 7 H LEU 7 3.925 0.888 4.602 485 HA LEU 7 HA LEU 7 1.213 0.970 5.729 486 1HB LEU 7 2HB LEU 7 2.138 -0.949 3.611 487 2HB LEU 7 1HB LEU 7 0.514 -0.383 3.949 488 HG LEU 7 HG LEU 7 2.723 1.204 2.659 489 1HD1 LEU 7 1HD1 LEU 7 1.405 1.115 0.684 490 2HD1 LEU 7 2HD1 LEU 7 0.059 0.363 1.542 491 3HD1 LEU 7 3HD1 LEU 7 1.554 -0.537 1.290 492 1HD2 LEU 7 1HD2 LEU 7 1.406 2.638 4.109 493 2HD2 LEU 7 2HD2 LEU 7 -0.083 2.029 3.389 494 3HD2 LEU 7 3HD2 LEU 7 1.043 2.975 2.416 495 H ASN 8 H ASN 8 1.874 0.267 7.820 496 HA ASN 8 HA ASN 8 3.149 -2.326 8.067 497 1HB ASN 8 2HB ASN 8 3.773 -0.359 9.483 498 2HB ASN 8 1HB ASN 8 2.176 -0.437 10.216 499 1HD2 ASN 8 1HD2 ASN 8 5.166 -0.998 10.931 500 2HD2 ASN 8 2HD2 ASN 8 5.049 -2.426 11.897 501 H GLY 9 H GLY 9 1.827 -4.039 7.777 502 1HA GLY 9 2HA GLY 9 -0.789 -3.972 9.152 503 2HA GLY 9 1HA GLY 9 -0.501 -4.841 7.655 504 H LYS 10 H LYS 10 -1.498 -6.572 8.982 505 HA LYS 10 HA LYS 10 0.160 -7.751 11.026 506 1HB LYS 10 2HB LYS 10 -2.334 -8.807 9.679 507 2HB LYS 10 1HB LYS 10 -1.577 -9.501 11.104 508 1HG LYS 10 2HG LYS 10 -2.464 -6.655 11.150 509 2HG LYS 10 1HG LYS 10 -3.652 -7.944 11.324 510 1HD LYS 10 2HD LYS 10 -2.910 -7.162 13.503 511 2HD LYS 10 1HD LYS 10 -2.404 -8.829 13.238 512 1HE LYS 10 2HE LYS 10 -0.528 -6.627 12.532 513 2HE LYS 10 1HE LYS 10 -0.755 -7.032 14.232 514 1HZ LYS 10 1HZ LYS 10 -0.279 -9.270 12.440 515 2HZ LYS 10 2HZ LYS 10 0.308 -8.988 13.999 516 3HZ LYS 10 3HZ LYS 10 1.029 -8.224 12.673 517 H THR 11 H THR 11 -1.093 -8.848 7.884 518 HA THR 11 HA THR 11 1.085 -10.778 7.681 519 HB THR 11 HB THR 11 -0.378 -11.457 5.632 520 HG1 THR 11 1HG THR 11 -1.713 -9.627 5.693 521 1HG2 THR 11 1HG2 THR 11 -1.574 -12.997 6.872 522 2HG2 THR 11 2HG2 THR 11 -1.760 -11.900 8.240 523 3HG2 THR 11 3HG2 THR 11 -0.194 -12.642 7.911 524 H LEU 12 H LEU 12 0.560 -7.649 6.847 525 HA LEU 12 HA LEU 12 2.373 -7.885 4.572 526 1HB LEU 12 2HB LEU 12 0.134 -7.694 3.634 527 2HB LEU 12 1HB LEU 12 -0.157 -6.245 4.577 528 HG LEU 12 HG LEU 12 1.374 -4.985 3.285 529 1HD1 LEU 12 1HD1 LEU 12 3.243 -5.992 2.632 530 2HD1 LEU 12 2HD1 LEU 12 2.321 -6.619 1.264 531 3HD1 LEU 12 3HD1 LEU 12 2.501 -7.585 2.724 532 1HD2 LEU 12 1HD2 LEU 12 -0.281 -4.781 1.818 533 2HD2 LEU 12 2HD2 LEU 12 -0.760 -6.465 2.032 534 3HD2 LEU 12 3HD2 LEU 12 0.497 -6.046 0.868 535 H LYS 13 H LYS 13 3.881 -6.354 4.414 536 HA LYS 13 HA LYS 13 3.697 -3.909 5.992 537 1HB LYS 13 2HB LYS 13 6.015 -5.838 6.260 538 2HB LYS 13 1HB LYS 13 5.910 -4.248 7.003 539 1HG LYS 13 2HG LYS 13 4.022 -4.980 8.345 540 2HG LYS 13 1HG LYS 13 4.073 -6.565 7.573 541 1HD LYS 13 2HD LYS 13 5.157 -6.617 9.760 542 2HD LYS 13 1HD LYS 13 6.317 -6.933 8.469 543 1HE LYS 13 2HE LYS 13 7.252 -5.419 10.133 544 2HE LYS 13 1HE LYS 13 7.072 -4.613 8.576 545 1HZ LYS 13 1HZ LYS 13 5.511 -3.221 9.377 546 2HZ LYS 13 2HZ LYS 13 6.253 -3.555 10.858 547 3HZ LYS 13 3HZ LYS 13 4.836 -4.369 10.421 548 H GLY 14 H GLY 14 5.040 -2.217 5.143 549 1HA GLY 14 2HA GLY 14 6.971 -2.731 3.122 550 2HA GLY 14 1HA GLY 14 5.440 -2.284 2.395 551 H GLU 15 H GLU 15 7.047 -0.667 1.568 552 HA GLU 15 HA GLU 15 6.825 1.779 3.165 553 1HB GLU 15 2HB GLU 15 9.323 0.840 1.733 554 2HB GLU 15 1HB GLU 15 9.125 2.408 2.494 555 1HG GLU 15 2HG GLU 15 8.972 -0.215 3.955 556 2HG GLU 15 1HG GLU 15 10.420 0.782 3.842 557 H THR 16 H THR 16 5.942 3.376 1.990 558 HA THR 16 HA THR 16 6.293 3.346 -0.920 559 HB THR 16 HB THR 16 4.163 2.460 -0.869 560 HG1 THR 16 1HG THR 16 3.599 5.198 -0.649 561 1HG2 THR 16 1HG2 THR 16 3.827 2.516 1.559 562 2HG2 THR 16 2HG2 THR 16 2.392 3.009 0.660 563 3HG2 THR 16 3HG2 THR 16 3.402 4.222 1.441 564 H THR 17 H THR 17 5.572 5.479 -1.929 565 HA THR 17 HA THR 17 5.888 7.736 -0.098 566 HB THR 17 HB THR 17 7.593 8.746 -1.604 567 HG1 THR 17 1HG THR 17 7.922 7.795 -3.424 568 1HG2 THR 17 1HG2 THR 17 8.461 7.759 0.364 569 2HG2 THR 17 2HG2 THR 17 9.486 7.243 -0.976 570 3HG2 THR 17 3HG2 THR 17 8.292 6.134 -0.301 571 H THR 18 H THR 18 4.356 9.146 -0.476 572 HA THR 18 HA THR 18 3.275 9.467 -3.216 573 HB THR 18 HB THR 18 1.642 8.750 -1.492 574 HG1 THR 18 1HG THR 18 1.002 10.129 -3.231 575 1HG2 THR 18 1HG2 THR 18 0.895 10.597 0.109 576 2HG2 THR 18 2HG2 THR 18 2.514 11.258 -0.122 577 3HG2 THR 18 3HG2 THR 18 2.309 9.637 0.543 578 H GLU 19 H GLU 19 3.123 11.537 -4.088 579 HA GLU 19 HA GLU 19 4.730 13.602 -2.731 580 1HB GLU 19 2HB GLU 19 5.563 12.980 -4.919 581 2HB GLU 19 1HB GLU 19 3.980 13.225 -5.640 582 1HG GLU 19 2HG GLU 19 5.465 15.054 -6.178 583 2HG GLU 19 1HG GLU 19 4.130 15.614 -5.173 584 H ALA 20 H ALA 20 3.572 15.145 -1.695 585 HA ALA 20 HA ALA 20 1.270 16.304 -3.045 586 1HB ALA 20 1HB ALA 20 0.786 15.742 -0.193 587 2HB ALA 20 2HB ALA 20 0.757 14.351 -1.277 588 3HB ALA 20 3HB ALA 20 -0.324 15.715 -1.563 589 H VAL 21 H VAL 21 0.757 18.367 -2.400 590 HA VAL 21 HA VAL 21 2.780 20.096 -1.732 591 HB VAL 21 HB VAL 21 -0.130 20.598 -1.109 592 1HG1 VAL 21 1HG1 VAL 21 0.349 22.890 -1.285 593 2HG1 VAL 21 2HG1 VAL 21 1.932 22.591 -2.000 594 3HG1 VAL 21 3HG1 VAL 21 1.649 22.224 -0.299 595 1HG2 VAL 21 1HG2 VAL 21 0.041 21.675 -3.483 596 2HG2 VAL 21 2HG2 VAL 21 -0.264 19.946 -3.311 597 3HG2 VAL 21 3HG2 VAL 21 1.360 20.523 -3.693 598 H ASP 22 H ASP 22 0.743 18.293 0.446 599 HA ASP 22 HA ASP 22 2.447 19.054 2.655 600 1HB ASP 22 2HB ASP 22 0.690 19.873 4.118 601 2HB ASP 22 1HB ASP 22 0.762 20.857 2.660 602 H ALA 23 H ALA 23 1.548 17.969 4.771 603 HA ALA 23 HA ALA 23 1.592 15.211 4.327 604 1HB ALA 23 1HB ALA 23 0.472 15.572 6.862 605 2HB ALA 23 2HB ALA 23 1.505 16.976 6.599 606 3HB ALA 23 3HB ALA 23 2.176 15.352 6.468 607 H ALA 24 H ALA 24 -1.118 17.373 5.024 608 HA ALA 24 HA ALA 24 -3.077 15.349 5.228 609 1HB ALA 24 1HB ALA 24 -4.541 17.043 5.522 610 2HB ALA 24 2HB ALA 24 -3.969 17.922 4.105 611 3HB ALA 24 3HB ALA 24 -3.088 18.036 5.628 612 H THR 25 H THR 25 -2.244 17.485 2.482 613 HA THR 25 HA THR 25 -3.907 16.372 0.586 614 HB THR 25 HB THR 25 -2.190 17.133 -1.071 615 HG1 THR 25 1HG THR 25 -0.664 17.250 1.227 616 1HG2 THR 25 1HG2 THR 25 -2.061 19.558 -0.181 617 2HG2 THR 25 2HG2 THR 25 -3.132 18.955 1.085 618 3HG2 THR 25 3HG2 THR 25 -3.625 18.862 -0.607 619 H ALA 26 H ALA 26 -0.644 15.403 1.578 620 HA ALA 26 HA ALA 26 -0.343 13.249 -0.201 621 1HB ALA 26 1HB ALA 26 1.449 14.301 1.248 622 2HB ALA 26 2HB ALA 26 1.460 12.538 1.168 623 3HB ALA 26 3HB ALA 26 0.797 13.354 2.584 624 H GLU 27 H GLU 27 -1.471 13.335 3.187 625 HA GLU 27 HA GLU 27 -2.097 10.670 3.498 626 1HB GLU 27 2HB GLU 27 -2.141 12.294 5.329 627 2HB GLU 27 1HB GLU 27 -3.556 13.061 4.621 628 1HG GLU 27 2HG GLU 27 -4.841 11.014 4.962 629 2HG GLU 27 1HG GLU 27 -3.422 10.241 5.667 630 H LYS 28 H LYS 28 -4.095 13.292 2.202 631 HA LYS 28 HA LYS 28 -6.401 11.725 1.740 632 1HB LYS 28 2HB LYS 28 -5.499 14.264 0.364 633 2HB LYS 28 1HB LYS 28 -7.116 13.578 0.276 634 1HG LYS 28 2HG LYS 28 -5.748 14.680 2.718 635 2HG LYS 28 1HG LYS 28 -7.117 15.380 1.850 636 1HD LYS 28 2HD LYS 28 -8.484 13.445 2.445 637 2HD LYS 28 1HD LYS 28 -7.112 12.730 3.295 638 1HE LYS 28 2HE LYS 28 -7.076 14.632 4.833 639 2HE LYS 28 1HE LYS 28 -8.441 15.351 3.981 640 1HZ LYS 28 1HZ LYS 28 -9.894 13.934 4.928 641 2HZ LYS 28 2HZ LYS 28 -8.709 13.827 6.131 642 3HZ LYS 28 3HZ LYS 28 -8.813 12.631 4.939 643 H VAL 29 H VAL 29 -3.726 12.722 -0.376 644 HA VAL 29 HA VAL 29 -4.621 11.512 -2.724 645 HB VAL 29 HB VAL 29 -1.765 11.875 -1.793 646 1HG1 VAL 29 1HG1 VAL 29 -1.112 10.858 -3.654 647 2HG1 VAL 29 2HG1 VAL 29 -2.028 12.016 -4.618 648 3HG1 VAL 29 3HG1 VAL 29 -2.793 10.525 -4.069 649 1HG2 VAL 29 1HG2 VAL 29 -1.867 14.027 -2.420 650 2HG2 VAL 29 2HG2 VAL 29 -3.612 13.829 -2.257 651 3HG2 VAL 29 3HG2 VAL 29 -2.849 13.669 -3.839 652 H VAL 30 H VAL 30 -2.761 10.214 -0.024 653 HA VAL 30 HA VAL 30 -2.275 7.661 -1.157 654 HB VAL 30 HB VAL 30 -2.548 8.334 1.779 655 1HG1 VAL 30 1HG1 VAL 30 -1.339 6.363 2.223 656 2HG1 VAL 30 2HG1 VAL 30 -0.862 6.179 0.537 657 3HG1 VAL 30 3HG1 VAL 30 -2.535 5.899 1.014 658 1HG2 VAL 30 1HG2 VAL 30 -0.543 9.324 1.775 659 2HG2 VAL 30 2HG2 VAL 30 -0.770 9.480 0.032 660 3HG2 VAL 30 3HG2 VAL 30 0.147 8.122 0.683 661 H LYS 31 H LYS 31 -4.830 8.913 1.012 662 HA LYS 31 HA LYS 31 -6.279 6.609 1.429 663 1HB LYS 31 2HB LYS 31 -7.211 9.449 1.054 664 2HB LYS 31 1HB LYS 31 -8.310 8.143 1.473 665 1HG LYS 31 2HG LYS 31 -7.175 7.749 3.529 666 2HG LYS 31 1HG LYS 31 -5.888 8.872 3.094 667 1HD LYS 31 2HD LYS 31 -7.358 9.959 4.652 668 2HD LYS 31 1HD LYS 31 -7.576 10.701 3.068 669 1HE LYS 31 2HE LYS 31 -9.354 8.523 4.147 670 2HE LYS 31 1HE LYS 31 -9.690 10.239 4.351 671 1HZ LYS 31 1HZ LYS 31 -10.748 10.083 2.418 672 2HZ LYS 31 2HZ LYS 31 -10.089 8.567 2.064 673 3HZ LYS 31 3HZ LYS 31 -9.230 9.972 1.680 674 H GLN 32 H GLN 32 -6.422 8.822 -1.310 675 HA GLN 32 HA GLN 32 -8.479 7.538 -2.737 676 1HB GLN 32 2HB GLN 32 -7.599 9.792 -3.301 677 2HB GLN 32 1HB GLN 32 -6.103 9.054 -3.851 678 1HG GLN 32 2HG GLN 32 -7.466 9.585 -5.743 679 2HG GLN 32 1HG GLN 32 -7.366 7.836 -5.575 680 1HE2 GLN 32 1HE2 GLN 32 -9.404 9.150 -3.223 681 2HE2 GLN 32 2HE2 GLN 32 -10.907 8.859 -4.017 682 H PHE 33 H PHE 33 -5.034 6.990 -2.513 683 HA PHE 33 HA PHE 33 -4.607 5.196 -4.582 684 1HB PHE 33 2HB PHE 33 -2.895 6.235 -3.017 685 2HB PHE 33 1HB PHE 33 -3.351 5.017 -1.836 686 HD1 PHE 33 1HD PHE 33 -2.331 5.206 -5.417 687 HD2 PHE 33 2HD PHE 33 -2.031 3.160 -1.688 688 HE1 PHE 33 1HE PHE 33 -0.728 3.620 -6.404 689 HE2 PHE 33 2HE PHE 33 -0.420 1.588 -2.678 690 HZ PHE 33 HZ PHE 33 0.230 1.821 -5.045 691 H PHE 34 H PHE 34 -5.173 4.365 -1.187 692 HA PHE 34 HA PHE 34 -5.723 1.621 -1.700 693 1HB PHE 34 2HB PHE 34 -6.389 3.276 0.738 694 2HB PHE 34 1HB PHE 34 -6.389 1.513 0.654 695 HD1 PHE 34 1HD PHE 34 -4.014 0.932 -0.881 696 HD2 PHE 34 2HD PHE 34 -4.639 3.854 2.141 697 HE1 PHE 34 1HE PHE 34 -1.611 0.919 -0.382 698 HE2 PHE 34 2HE PHE 34 -2.234 3.845 2.653 699 HZ PHE 34 HZ PHE 34 -0.723 2.376 1.376 700 H ASN 35 H ASN 35 -7.736 4.455 -1.228 701 HA ASN 35 HA ASN 35 -10.256 3.351 -1.034 702 1HB ASN 35 2HB ASN 35 -9.754 5.769 -0.915 703 2HB ASN 35 1HB ASN 35 -9.423 5.780 -2.644 704 1HD2 ASN 35 1HD2 ASN 35 -11.514 6.896 -0.657 705 2HD2 ASN 35 2HD2 ASN 35 -13.003 6.666 -1.502 706 H ASP 36 H ASP 36 -8.243 3.880 -3.836 707 HA ASP 36 HA ASP 36 -10.216 2.682 -5.624 708 1HB ASP 36 2HB ASP 36 -7.570 4.014 -6.226 709 2HB ASP 36 1HB ASP 36 -8.682 3.391 -7.440 710 H ASN 37 H ASN 37 -7.248 1.810 -4.026 711 HA ASN 37 HA ASN 37 -6.657 -0.353 -5.856 712 1HB ASN 37 2HB ASN 37 -5.545 0.276 -3.110 713 2HB ASN 37 1HB ASN 37 -4.989 -1.048 -4.125 714 1HD2 ASN 37 1HD2 ASN 37 -3.758 1.509 -3.050 715 2HD2 ASN 37 2HD2 ASN 37 -3.030 2.219 -4.448 716 H GLY 38 H GLY 38 -7.942 0.017 -2.614 717 1HA GLY 38 2HA GLY 38 -8.445 -2.002 -1.271 718 2HA GLY 38 1HA GLY 38 -9.883 -1.266 -1.942 719 H VAL 39 H VAL 39 -11.246 -2.601 -2.821 720 HA VAL 39 HA VAL 39 -10.320 -5.278 -3.593 721 HB VAL 39 HB VAL 39 -13.105 -4.319 -3.017 722 1HG1 VAL 39 1HG1 VAL 39 -11.935 -6.965 -3.701 723 2HG1 VAL 39 2HG1 VAL 39 -13.485 -6.261 -4.161 724 3HG1 VAL 39 3HG1 VAL 39 -13.261 -6.917 -2.540 725 1HG2 VAL 39 1HG2 VAL 39 -11.644 -4.092 -1.063 726 2HG2 VAL 39 2HG2 VAL 39 -11.198 -5.792 -1.207 727 3HG2 VAL 39 3HG2 VAL 39 -12.862 -5.345 -0.828 728 H ASP 40 H ASP 40 -10.990 -2.496 -5.317 729 HA ASP 40 HA ASP 40 -12.086 -4.106 -7.518 730 1HB ASP 40 2HB ASP 40 -12.707 -1.217 -6.882 731 2HB ASP 40 1HB ASP 40 -13.266 -2.085 -8.308 732 H GLY 41 H GLY 41 -9.284 -3.033 -6.634 733 1HA GLY 41 2HA GLY 41 -8.568 -1.318 -8.848 734 2HA GLY 41 1HA GLY 41 -7.481 -1.952 -7.624 735 H GLU 42 H GLU 42 -6.495 -1.891 -10.072 736 HA GLU 42 HA GLU 42 -6.900 -4.520 -11.307 737 1HB GLU 42 2HB GLU 42 -5.320 -2.128 -12.275 738 2HB GLU 42 1HB GLU 42 -5.560 -3.621 -13.171 739 1HG GLU 42 2HG GLU 42 -7.725 -1.703 -12.341 740 2HG GLU 42 1HG GLU 42 -7.030 -1.844 -13.954 741 H TRP 43 H TRP 43 -5.767 -5.991 -10.145 742 HA TRP 43 HA TRP 43 -3.049 -5.372 -9.292 743 1HB TRP 43 2HB TRP 43 -4.784 -7.778 -8.735 744 2HB TRP 43 1HB TRP 43 -3.219 -7.450 -8.005 745 HD1 TRP 43 HD TRP 43 -6.339 -5.135 -8.350 746 HE1 TRP 43 1HE TRP 43 -6.905 -4.262 -5.984 747 HE3 TRP 43 3HE TRP 43 -2.766 -7.623 -5.690 748 HZ2 TRP 43 2HZ TRP 43 -5.952 -4.587 -3.355 749 HZ3 TRP 43 3HZ TRP 43 -2.657 -7.293 -3.263 750 HH2 TRP 43 HH TRP 43 -4.217 -5.806 -2.114 751 H THR 44 H THR 44 -1.372 -5.901 -10.522 752 HA THR 44 HA THR 44 -1.620 -8.195 -12.350 753 HB THR 44 HB THR 44 0.279 -7.151 -13.587 754 HG1 THR 44 1HG THR 44 1.014 -5.904 -11.741 755 1HG2 THR 44 1HG2 THR 44 -0.976 -5.078 -14.361 756 2HG2 THR 44 2HG2 THR 44 -2.239 -5.572 -13.235 757 3HG2 THR 44 3HG2 THR 44 -1.772 -6.637 -14.562 758 H TYR 45 H TYR 45 -0.209 -9.886 -12.165 759 HA TYR 45 HA TYR 45 1.689 -9.748 -9.921 760 1HB TYR 45 2HB TYR 45 -0.050 -11.433 -9.659 761 2HB TYR 45 1HB TYR 45 0.366 -12.139 -11.216 762 HD1 TYR 45 1HD TYR 45 2.530 -11.032 -8.380 763 HD2 TYR 45 2HD TYR 45 1.183 -14.267 -10.794 764 HE1 TYR 45 1HE TYR 45 4.134 -12.525 -7.266 765 HE2 TYR 45 2HE TYR 45 2.782 -15.769 -9.685 766 HH TYR 45 HH TYR 45 4.051 -15.941 -7.663 767 H ASP 46 H ASP 46 3.786 -10.452 -10.115 768 HA ASP 46 HA ASP 46 4.732 -11.024 -12.846 769 1HB ASP 46 2HB ASP 46 5.373 -8.751 -12.167 770 2HB ASP 46 1HB ASP 46 6.133 -9.393 -10.713 771 H ASP 47 H ASP 47 4.532 -13.263 -12.299 772 HA ASP 47 HA ASP 47 5.558 -14.634 -10.174 773 1HB ASP 47 2HB ASP 47 5.629 -15.495 -13.074 774 2HB ASP 47 1HB ASP 47 5.806 -16.571 -11.689 775 H ALA 48 H ALA 48 7.349 -13.383 -12.937 776 HA ALA 48 HA ALA 48 9.743 -14.687 -12.718 777 1HB ALA 48 1HB ALA 48 9.865 -13.316 -14.493 778 2HB ALA 48 2HB ALA 48 10.620 -12.210 -13.347 779 3HB ALA 48 3HB ALA 48 8.903 -12.057 -13.718 780 H THR 49 H THR 49 8.538 -12.110 -10.656 781 HA THR 49 HA THR 49 10.904 -12.500 -8.946 782 HB THR 49 HB THR 49 10.779 -10.106 -8.323 783 HG1 THR 49 1HG THR 49 9.140 -8.978 -8.932 784 1HG2 THR 49 1HG2 THR 49 11.281 -9.214 -10.758 785 2HG2 THR 49 2HG2 THR 49 11.361 -10.942 -11.102 786 3HG2 THR 49 3HG2 THR 49 12.418 -10.237 -9.880 787 H LYS 50 H LYS 50 7.915 -13.389 -9.011 788 HA LYS 50 HA LYS 50 6.218 -13.734 -7.500 789 1HB LYS 50 2HB LYS 50 8.338 -13.327 -5.388 790 2HB LYS 50 1HB LYS 50 6.911 -14.349 -5.301 791 1HG LYS 50 2HG LYS 50 9.248 -14.812 -7.141 792 2HG LYS 50 1HG LYS 50 9.005 -15.615 -5.591 793 1HD LYS 50 2HD LYS 50 6.896 -15.720 -7.714 794 2HD LYS 50 1HD LYS 50 8.273 -16.824 -7.759 795 1HE LYS 50 2HE LYS 50 6.533 -17.961 -6.641 796 2HE LYS 50 1HE LYS 50 7.672 -17.456 -5.394 797 1HZ LYS 50 1HZ LYS 50 5.062 -17.039 -5.248 798 2HZ LYS 50 2HZ LYS 50 5.531 -15.596 -5.993 799 3HZ LYS 50 3HZ LYS 50 6.201 -16.033 -4.503 800 H THR 51 H THR 51 6.750 -11.016 -8.360 801 HA THR 51 HA THR 51 6.039 -9.454 -5.983 802 HB THR 51 HB THR 51 7.152 -8.597 -8.658 803 HG1 THR 51 1HG THR 51 8.557 -9.663 -7.085 804 1HG2 THR 51 1HG2 THR 51 7.440 -6.626 -6.609 805 2HG2 THR 51 2HG2 THR 51 5.736 -6.992 -6.859 806 3HG2 THR 51 3HG2 THR 51 6.733 -6.478 -8.216 807 H PHE 52 H PHE 52 4.318 -8.004 -5.993 808 HA PHE 52 HA PHE 52 2.311 -8.449 -8.108 809 1HB PHE 52 2HB PHE 52 1.911 -7.808 -5.178 810 2HB PHE 52 1HB PHE 52 0.617 -7.868 -6.369 811 HD1 PHE 52 1HD PHE 52 0.257 -10.071 -7.604 812 HD2 PHE 52 2HD PHE 52 2.566 -9.725 -4.046 813 HE1 PHE 52 1HE PHE 52 -0.018 -12.481 -7.196 814 HE2 PHE 52 2HE PHE 52 2.297 -12.135 -3.633 815 HZ PHE 52 HZ PHE 52 1.003 -13.515 -5.210 816 H THR 53 H THR 53 2.000 -6.742 -9.360 817 HA THR 53 HA THR 53 2.611 -4.075 -8.294 818 HB THR 53 HB THR 53 2.383 -3.447 -10.816 819 HG1 THR 53 1HG THR 53 3.079 -6.172 -11.059 820 1HG2 THR 53 1HG2 THR 53 4.502 -3.079 -10.177 821 2HG2 THR 53 2HG2 THR 53 4.793 -4.527 -11.146 822 3HG2 THR 53 3HG2 THR 53 4.659 -4.654 -9.393 823 H VAL 54 H VAL 54 1.077 -2.751 -7.790 824 HA VAL 54 HA VAL 54 -1.645 -3.225 -8.812 825 HB VAL 54 HB VAL 54 -0.809 -1.752 -6.298 826 1HG1 VAL 54 1HG1 VAL 54 -3.127 -1.446 -7.754 827 2HG1 VAL 54 2HG1 VAL 54 -2.918 -1.058 -6.046 828 3HG1 VAL 54 3HG1 VAL 54 -3.579 -2.623 -6.521 829 1HG2 VAL 54 1HG2 VAL 54 -2.265 -3.858 -5.442 830 2HG2 VAL 54 2HG2 VAL 54 -0.504 -3.855 -5.551 831 3HG2 VAL 54 3HG2 VAL 54 -1.467 -4.569 -6.846 832 H THR 55 H THR 55 -1.918 -1.944 -10.547 833 HA THR 55 HA THR 55 -0.768 0.745 -10.496 834 HB THR 55 HB THR 55 -2.094 -0.642 -12.825 835 HG1 THR 55 1HG THR 55 -0.304 -1.845 -12.259 836 1HG2 THR 55 1HG2 THR 55 -0.637 0.904 -14.134 837 2HG2 THR 55 2HG2 THR 55 -0.281 1.746 -12.624 838 3HG2 THR 55 3HG2 THR 55 -1.937 1.692 -13.236 839 H GLU 56 H GLU 56 -1.956 2.395 -9.886 840 HA GLU 56 HA GLU 56 -4.673 2.303 -9.299 841 1HB GLU 56 2HB GLU 56 -3.173 3.985 -8.369 842 2HB GLU 56 1HB GLU 56 -2.939 4.690 -9.963 843 1HG GLU 56 2HG GLU 56 -4.474 6.017 -8.637 844 2HG GLU 56 1HG GLU 56 -5.287 5.327 -10.041 Start of MODEL 8 1 1H MET 1 1HT MET 1 6.353 -18.485 2.745 2 2H MET 1 2HT MET 1 6.863 -19.849 1.884 3 3H MET 1 3HT MET 1 5.304 -19.235 1.649 4 HA MET 1 HA MET 1 7.880 -18.204 0.696 5 1HB MET 1 2HB MET 1 6.558 -19.555 -0.810 6 2HB MET 1 1HB MET 1 5.122 -18.594 -0.484 7 1HG MET 1 2HG MET 1 5.967 -17.965 -2.618 8 2HG MET 1 1HG MET 1 6.272 -16.639 -1.497 9 1HE MET 1 1HE MET 1 9.454 -19.580 -3.049 10 2HE MET 1 2HE MET 1 7.952 -19.281 -3.925 11 3HE MET 1 3HE MET 1 7.908 -20.034 -2.330 12 H GLN 2 H GLN 2 8.280 -16.083 0.413 13 HA GLN 2 HA GLN 2 6.335 -14.190 1.523 14 1HB GLN 2 2HB GLN 2 8.561 -14.164 2.559 15 2HB GLN 2 1HB GLN 2 9.296 -13.863 0.989 16 1HG GLN 2 2HG GLN 2 8.144 -11.717 0.854 17 2HG GLN 2 1HG GLN 2 7.398 -12.018 2.423 18 1HE2 GLN 2 1HE2 GLN 2 8.334 -10.970 4.009 19 2HE2 GLN 2 2HE2 GLN 2 10.012 -10.581 4.132 20 H TYR 3 H TYR 3 5.572 -12.486 0.322 21 HA TYR 3 HA TYR 3 6.450 -12.362 -2.486 22 1HB TYR 3 2HB TYR 3 3.625 -12.181 -1.423 23 2HB TYR 3 1HB TYR 3 4.085 -11.825 -3.087 24 HD1 TYR 3 1HD TYR 3 4.288 -13.546 -4.671 25 HD2 TYR 3 2HD TYR 3 4.026 -14.528 -0.539 26 HE1 TYR 3 1HE TYR 3 4.046 -15.922 -5.257 27 HE2 TYR 3 2HE TYR 3 3.785 -16.907 -1.114 28 HH TYR 3 HH TYR 3 4.443 -18.132 -4.184 29 H LYS 4 H LYS 4 6.629 -10.360 -3.412 30 HA LYS 4 HA LYS 4 6.329 -8.084 -1.567 31 1HB LYS 4 2HB LYS 4 8.639 -8.462 -2.238 32 2HB LYS 4 1HB LYS 4 8.177 -8.432 -3.934 33 1HG LYS 4 2HG LYS 4 7.497 -6.084 -3.693 34 2HG LYS 4 1HG LYS 4 8.021 -6.122 -2.009 35 1HD LYS 4 2HD LYS 4 9.782 -6.613 -4.412 36 2HD LYS 4 1HD LYS 4 9.714 -5.117 -3.480 37 1HE LYS 4 2HE LYS 4 10.501 -7.813 -2.380 38 2HE LYS 4 1HE LYS 4 11.631 -6.552 -2.871 39 1HZ LYS 4 1HZ LYS 4 9.558 -5.871 -0.916 40 2HZ LYS 4 2HZ LYS 4 11.132 -5.274 -1.070 41 3HZ LYS 4 3HZ LYS 4 10.870 -6.802 -0.393 42 H VAL 5 H VAL 5 4.537 -6.969 -1.972 43 HA VAL 5 HA VAL 5 3.491 -6.880 -4.695 44 HB VAL 5 HB VAL 5 2.249 -5.840 -2.142 45 1HG1 VAL 5 1HG1 VAL 5 1.588 -5.001 -4.580 46 2HG1 VAL 5 2HG1 VAL 5 0.391 -5.250 -3.310 47 3HG1 VAL 5 3HG1 VAL 5 0.637 -6.487 -4.541 48 1HG2 VAL 5 1HG2 VAL 5 2.660 -8.464 -2.813 49 2HG2 VAL 5 2HG2 VAL 5 1.033 -8.162 -3.423 50 3HG2 VAL 5 3HG2 VAL 5 1.408 -7.868 -1.724 51 H ILE 6 H ILE 6 3.765 -5.231 -5.980 52 HA ILE 6 HA ILE 6 4.954 -2.771 -4.938 53 HB ILE 6 HB ILE 6 4.693 -3.854 -7.739 54 1HG1 ILE 6 2HG1 ILE 6 7.113 -3.138 -6.075 55 2HG1 ILE 6 1HG1 ILE 6 6.476 -4.765 -6.263 56 1HG2 ILE 6 1HG2 ILE 6 4.539 -1.682 -8.346 57 2HG2 ILE 6 2HG2 ILE 6 6.282 -1.719 -8.080 58 3HG2 ILE 6 3HG2 ILE 6 5.212 -1.096 -6.824 59 1HD1 ILE 6 1HD1 ILE 6 8.048 -3.114 -8.125 60 2HD1 ILE 6 2HD1 ILE 6 6.780 -4.110 -8.840 61 3HD1 ILE 6 3HD1 ILE 6 8.051 -4.859 -7.870 62 H LEU 7 H LEU 7 3.782 -1.034 -4.593 63 HA LEU 7 HA LEU 7 1.089 -0.888 -5.747 64 1HB LEU 7 2HB LEU 7 2.124 0.860 -3.533 65 2HB LEU 7 1HB LEU 7 0.465 0.417 -3.899 66 HG LEU 7 HG LEU 7 2.574 -1.365 -2.696 67 1HD1 LEU 7 1HD1 LEU 7 1.602 0.266 -1.160 68 2HD1 LEU 7 2HD1 LEU 7 1.109 -1.377 -0.758 69 3HD1 LEU 7 3HD1 LEU 7 -0.015 -0.295 -1.583 70 1HD2 LEU 7 1HD2 LEU 7 1.171 -2.609 -4.264 71 2HD2 LEU 7 2HD2 LEU 7 -0.273 -2.013 -3.448 72 3HD2 LEU 7 3HD2 LEU 7 0.847 -3.077 -2.596 73 H ASN 8 H ASN 8 1.820 -0.140 -7.792 74 HA ASN 8 HA ASN 8 3.171 2.434 -7.898 75 1HB ASN 8 2HB ASN 8 2.394 0.440 -10.018 76 2HB ASN 8 1HB ASN 8 3.047 2.023 -10.411 77 1HD2 ASN 8 1HD2 ASN 8 4.524 1.284 -7.609 78 2HD2 ASN 8 2HD2 ASN 8 5.932 0.495 -8.213 79 H GLY 9 H GLY 9 1.897 4.165 -7.584 80 1HA GLY 9 2HA GLY 9 -0.712 4.208 -8.971 81 2HA GLY 9 1HA GLY 9 -0.362 5.103 -7.502 82 H LYS 10 H LYS 10 -1.322 6.804 -9.002 83 HA LYS 10 HA LYS 10 0.417 7.812 -11.056 84 1HB LYS 10 2HB LYS 10 -2.020 9.056 -9.767 85 2HB LYS 10 1HB LYS 10 -1.203 9.669 -11.199 86 1HG LYS 10 2HG LYS 10 -1.753 7.600 -12.390 87 2HG LYS 10 1HG LYS 10 -2.593 7.009 -10.956 88 1HD LYS 10 2HD LYS 10 -3.303 9.489 -12.523 89 2HD LYS 10 1HD LYS 10 -4.157 7.946 -12.591 90 1HE LYS 10 2HE LYS 10 -4.705 8.148 -10.213 91 2HE LYS 10 1HE LYS 10 -3.855 9.690 -10.148 92 1HZ LYS 10 1HZ LYS 10 -6.171 10.117 -10.376 93 2HZ LYS 10 2HZ LYS 10 -6.309 9.068 -11.697 94 3HZ LYS 10 3HZ LYS 10 -5.440 10.510 -11.850 95 H THR 11 H THR 11 -0.688 9.066 -7.908 96 HA THR 11 HA THR 11 1.623 10.861 -7.845 97 HB THR 11 HB THR 11 0.247 11.855 -5.896 98 HG1 THR 11 1HG THR 11 -2.004 11.420 -6.128 99 1HG2 THR 11 1HG2 THR 11 -0.329 13.438 -7.325 100 2HG2 THR 11 2HG2 THR 11 -1.503 12.375 -8.101 101 3HG2 THR 11 3HG2 THR 11 0.177 12.373 -8.638 102 H LEU 12 H LEU 12 0.900 7.853 -6.870 103 HA LEU 12 HA LEU 12 2.621 8.086 -4.520 104 1HB LEU 12 2HB LEU 12 0.339 7.994 -3.690 105 2HB LEU 12 1HB LEU 12 0.028 6.554 -4.639 106 HG LEU 12 HG LEU 12 1.472 5.241 -3.270 107 1HD1 LEU 12 1HD1 LEU 12 2.289 6.866 -1.180 108 2HD1 LEU 12 2HD1 LEU 12 2.601 7.817 -2.628 109 3HD1 LEU 12 3HD1 LEU 12 3.301 6.211 -2.469 110 1HD2 LEU 12 1HD2 LEU 12 0.289 6.669 -1.032 111 2HD2 LEU 12 2HD2 LEU 12 -0.011 5.035 -1.622 112 3HD2 LEU 12 3HD2 LEU 12 -0.845 6.404 -2.357 113 H LYS 13 H LYS 13 4.068 6.479 -4.258 114 HA LYS 13 HA LYS 13 3.842 4.039 -5.839 115 1HB LYS 13 2HB LYS 13 6.233 5.885 -6.009 116 2HB LYS 13 1HB LYS 13 6.145 4.274 -6.709 117 1HG LYS 13 2HG LYS 13 4.327 5.001 -8.167 118 2HG LYS 13 1HG LYS 13 4.408 6.616 -7.462 119 1HD LYS 13 2HD LYS 13 6.707 6.851 -8.263 120 2HD LYS 13 1HD LYS 13 6.632 5.231 -8.960 121 1HE LYS 13 2HE LYS 13 6.270 6.940 -10.663 122 2HE LYS 13 1HE LYS 13 4.832 5.944 -10.444 123 1HZ LYS 13 1HZ LYS 13 4.952 8.346 -8.824 124 2HZ LYS 13 2HZ LYS 13 3.650 7.671 -9.665 125 3HZ LYS 13 3HZ LYS 13 4.795 8.604 -10.488 126 H GLY 14 H GLY 14 4.974 2.281 -4.946 127 1HA GLY 14 2HA GLY 14 6.914 2.566 -2.900 128 2HA GLY 14 1HA GLY 14 5.335 2.299 -2.183 129 H GLU 15 H GLU 15 6.855 0.463 -1.421 130 HA GLU 15 HA GLU 15 6.185 -1.879 -3.044 131 1HB GLU 15 2HB GLU 15 8.914 -1.361 -1.841 132 2HB GLU 15 1HB GLU 15 8.403 -2.884 -2.553 133 1HG GLU 15 2HG GLU 15 9.713 -1.772 -4.169 134 2HG GLU 15 1HG GLU 15 8.038 -1.649 -4.701 135 H THR 16 H THR 16 5.481 -3.577 -1.880 136 HA THR 16 HA THR 16 5.863 -3.533 1.023 137 HB THR 16 HB THR 16 3.724 -2.667 0.982 138 HG1 THR 16 1HG THR 16 3.177 -5.415 0.803 139 1HG2 THR 16 1HG2 THR 16 3.315 -2.720 -1.406 140 2HG2 THR 16 2HG2 THR 16 1.927 -3.340 -0.512 141 3HG2 THR 16 3HG2 THR 16 3.022 -4.454 -1.325 142 H THR 17 H THR 17 5.229 -5.664 2.046 143 HA THR 17 HA THR 17 5.509 -7.924 0.213 144 HB THR 17 HB THR 17 7.297 -8.903 1.631 145 HG1 THR 17 1HG THR 17 7.432 -6.313 2.769 146 1HG2 THR 17 1HG2 THR 17 7.859 -7.633 -0.430 147 2HG2 THR 17 2HG2 THR 17 9.125 -7.632 0.796 148 3HG2 THR 17 3HG2 THR 17 8.107 -6.210 0.578 149 H THR 18 H THR 18 4.021 -9.360 0.655 150 HA THR 18 HA THR 18 3.031 -9.677 3.428 151 HB THR 18 HB THR 18 1.336 -9.049 1.723 152 HG1 THR 18 1HG THR 18 0.795 -10.408 3.516 153 1HG2 THR 18 1HG2 THR 18 0.604 -10.964 0.193 154 2HG2 THR 18 2HG2 THR 18 2.250 -11.566 0.395 155 3HG2 THR 18 3HG2 THR 18 1.976 -9.973 -0.306 156 H GLU 19 H GLU 19 2.943 -11.767 4.322 157 HA GLU 19 HA GLU 19 4.568 -13.773 2.895 158 1HB GLU 19 2HB GLU 19 5.509 -13.018 5.033 159 2HB GLU 19 1HB GLU 19 4.028 -13.483 5.859 160 1HG GLU 19 2HG GLU 19 4.422 -15.814 5.275 161 2HG GLU 19 1HG GLU 19 5.897 -15.356 4.424 162 H ALA 20 H ALA 20 3.487 -15.450 2.060 163 HA ALA 20 HA ALA 20 1.303 -16.639 3.569 164 1HB ALA 20 1HB ALA 20 0.810 -15.933 0.697 165 2HB ALA 20 2HB ALA 20 0.390 -14.836 2.013 166 3HB ALA 20 3HB ALA 20 -0.347 -16.435 1.931 167 H VAL 21 H VAL 21 0.775 -18.734 2.957 168 HA VAL 21 HA VAL 21 2.828 -20.439 2.307 169 HB VAL 21 HB VAL 21 -0.068 -21.024 1.699 170 1HG1 VAL 21 1HG1 VAL 21 0.535 -23.328 2.190 171 2HG1 VAL 21 2HG1 VAL 21 2.198 -22.838 2.516 172 3HG1 VAL 21 3HG1 VAL 21 1.537 -22.686 0.888 173 1HG2 VAL 21 1HG2 VAL 21 -0.181 -20.245 3.884 174 2HG2 VAL 21 2HG2 VAL 21 1.402 -20.897 4.304 175 3HG2 VAL 21 3HG2 VAL 21 0.030 -21.984 4.092 176 H ASP 22 H ASP 22 0.741 -18.701 0.133 177 HA ASP 22 HA ASP 22 2.410 -19.493 -2.097 178 1HB ASP 22 2HB ASP 22 0.413 -20.129 -3.511 179 2HB ASP 22 1HB ASP 22 0.863 -21.288 -2.264 180 H ALA 23 H ALA 23 1.506 -18.427 -4.202 181 HA ALA 23 HA ALA 23 1.574 -15.666 -3.816 182 1HB ALA 23 1HB ALA 23 0.330 -16.246 -6.317 183 2HB ALA 23 2HB ALA 23 1.589 -17.441 -6.009 184 3HB ALA 23 3HB ALA 23 1.983 -15.723 -5.997 185 H ALA 24 H ALA 24 -1.170 -17.817 -4.403 186 HA ALA 24 HA ALA 24 -3.129 -15.803 -4.614 187 1HB ALA 24 1HB ALA 24 -3.944 -17.824 -5.334 188 2HB ALA 24 2HB ALA 24 -4.627 -17.783 -3.709 189 3HB ALA 24 3HB ALA 24 -3.172 -18.727 -4.032 190 H THR 25 H THR 25 -2.226 -17.835 -1.812 191 HA THR 25 HA THR 25 -3.843 -16.620 0.075 192 HB THR 25 HB THR 25 -2.080 -17.348 1.728 193 HG1 THR 25 1HG THR 25 -0.679 -17.693 -0.630 194 1HG2 THR 25 1HG2 THR 25 -3.013 -19.344 -0.304 195 2HG2 THR 25 2HG2 THR 25 -3.761 -18.942 1.243 196 3HG2 THR 25 3HG2 THR 25 -2.207 -19.776 1.205 197 H ALA 26 H ALA 26 -0.582 -15.749 -1.012 198 HA ALA 26 HA ALA 26 -0.216 -13.543 0.695 199 1HB ALA 26 1HB ALA 26 1.279 -14.787 -1.262 200 2HB ALA 26 2HB ALA 26 1.739 -13.328 -0.383 201 3HB ALA 26 3HB ALA 26 0.950 -13.199 -1.956 202 H GLU 27 H GLU 27 -1.366 -13.717 -2.680 203 HA GLU 27 HA GLU 27 -1.992 -11.092 -3.127 204 1HB GLU 27 2HB GLU 27 -2.111 -12.893 -4.807 205 2HB GLU 27 1HB GLU 27 -3.552 -13.519 -4.021 206 1HG GLU 27 2HG GLU 27 -4.216 -12.278 -5.941 207 2HG GLU 27 1HG GLU 27 -4.687 -11.372 -4.504 208 H LYS 28 H LYS 28 -4.106 -13.593 -1.727 209 HA LYS 28 HA LYS 28 -6.362 -12.008 -1.326 210 1HB LYS 28 2HB LYS 28 -5.372 -14.364 0.287 211 2HB LYS 28 1HB LYS 28 -6.985 -13.675 0.413 212 1HG LYS 28 2HG LYS 28 -5.779 -14.973 -2.020 213 2HG LYS 28 1HG LYS 28 -7.028 -15.648 -0.974 214 1HD LYS 28 2HD LYS 28 -8.526 -13.809 -1.588 215 2HD LYS 28 1HD LYS 28 -7.277 -13.145 -2.640 216 1HE LYS 28 2HE LYS 28 -8.595 -15.842 -2.934 217 2HE LYS 28 1HE LYS 28 -8.925 -14.416 -3.918 218 1HZ LYS 28 1HZ LYS 28 -7.401 -15.357 -5.254 219 2HZ LYS 28 2HZ LYS 28 -6.683 -16.259 -4.016 220 3HZ LYS 28 3HZ LYS 28 -6.289 -14.625 -4.211 221 H VAL 29 H VAL 29 -3.515 -12.477 0.694 222 HA VAL 29 HA VAL 29 -4.408 -11.193 3.004 223 HB VAL 29 HB VAL 29 -1.608 -11.283 1.868 224 1HG1 VAL 29 1HG1 VAL 29 -1.071 -11.057 4.399 225 2HG1 VAL 29 2HG1 VAL 29 -2.681 -10.339 4.490 226 3HG1 VAL 29 3HG1 VAL 29 -1.449 -9.616 3.454 227 1HG2 VAL 29 1HG2 VAL 29 -1.389 -13.359 2.678 228 2HG2 VAL 29 2HG2 VAL 29 -3.152 -13.384 2.688 229 3HG2 VAL 29 3HG2 VAL 29 -2.269 -12.975 4.158 230 H VAL 30 H VAL 30 -2.980 -9.883 0.061 231 HA VAL 30 HA VAL 30 -2.691 -7.228 0.986 232 HB VAL 30 HB VAL 30 -3.204 -8.142 -1.849 233 1HG1 VAL 30 1HG1 VAL 30 -3.382 -5.660 -1.203 234 2HG1 VAL 30 2HG1 VAL 30 -2.358 -6.095 -2.573 235 3HG1 VAL 30 3HG1 VAL 30 -1.631 -5.736 -1.007 236 1HG2 VAL 30 1HG2 VAL 30 -0.699 -8.056 -2.032 237 2HG2 VAL 30 2HG2 VAL 30 -1.334 -9.375 -1.050 238 3HG2 VAL 30 3HG2 VAL 30 -0.646 -7.949 -0.272 239 H LYS 31 H LYS 31 -5.294 -8.870 -0.840 240 HA LYS 31 HA LYS 31 -7.042 -6.808 -1.247 241 1HB LYS 31 2HB LYS 31 -7.516 -9.701 -0.610 242 2HB LYS 31 1HB LYS 31 -8.876 -8.602 -0.799 243 1HG LYS 31 2HG LYS 31 -8.459 -9.758 -2.867 244 2HG LYS 31 1HG LYS 31 -8.088 -8.045 -3.058 245 1HD LYS 31 2HD LYS 31 -5.692 -8.576 -2.695 246 2HD LYS 31 1HD LYS 31 -6.119 -10.288 -2.651 247 1HE LYS 31 2HE LYS 31 -6.620 -8.430 -4.971 248 2HE LYS 31 1HE LYS 31 -5.282 -9.570 -4.858 249 1HZ LYS 31 1HZ LYS 31 -7.782 -10.851 -4.389 250 2HZ LYS 31 2HZ LYS 31 -6.592 -11.214 -5.533 251 3HZ LYS 31 3HZ LYS 31 -7.778 -10.063 -5.887 252 H GLN 32 H GLN 32 -6.596 -8.681 1.705 253 HA GLN 32 HA GLN 32 -8.649 -7.287 3.150 254 1HB GLN 32 2HB GLN 32 -7.913 -9.568 3.783 255 2HB GLN 32 1HB GLN 32 -6.330 -8.928 4.200 256 1HG GLN 32 2HG GLN 32 -7.591 -9.252 6.202 257 2HG GLN 32 1HG GLN 32 -7.377 -7.526 5.930 258 1HE2 GLN 32 1HE2 GLN 32 -9.663 -8.783 3.789 259 2HE2 GLN 32 2HE2 GLN 32 -11.083 -8.347 4.664 260 H PHE 33 H PHE 33 -5.201 -6.992 2.723 261 HA PHE 33 HA PHE 33 -4.562 -5.146 4.692 262 1HB PHE 33 2HB PHE 33 -2.986 -6.382 3.156 263 2HB PHE 33 1HB PHE 33 -3.404 -5.223 1.898 264 HD1 PHE 33 1HD PHE 33 -2.051 -5.448 5.340 265 HD2 PHE 33 2HD PHE 33 -2.185 -3.239 1.692 266 HE1 PHE 33 1HE PHE 33 -0.297 -3.943 6.180 267 HE2 PHE 33 2HE PHE 33 -0.428 -1.740 2.542 268 HZ PHE 33 HZ PHE 33 0.512 -2.100 4.792 269 H PHE 34 H PHE 34 -5.369 -4.478 1.300 270 HA PHE 34 HA PHE 34 -5.603 -1.657 1.734 271 1HB PHE 34 2HB PHE 34 -6.377 -3.362 -0.631 272 2HB PHE 34 1HB PHE 34 -6.415 -1.596 -0.610 273 HD1 PHE 34 1HD PHE 34 -4.026 -0.919 0.872 274 HD2 PHE 34 2HD PHE 34 -4.631 -3.936 -2.066 275 HE1 PHE 34 1HE PHE 34 -1.633 -0.867 0.336 276 HE2 PHE 34 2HE PHE 34 -2.231 -3.881 -2.612 277 HZ PHE 34 HZ PHE 34 -0.739 -2.349 -1.397 278 H ASN 35 H ASN 35 -7.920 -4.296 1.404 279 HA ASN 35 HA ASN 35 -10.287 -2.890 1.263 280 1HB ASN 35 2HB ASN 35 -10.247 -5.311 1.157 281 2HB ASN 35 1HB ASN 35 -9.664 -5.411 2.817 282 1HD2 ASN 35 1HD2 ASN 35 -12.265 -5.828 0.971 283 2HD2 ASN 35 2HD2 ASN 35 -13.521 -5.522 2.115 284 H ASP 36 H ASP 36 -8.240 -3.528 4.008 285 HA ASP 36 HA ASP 36 -10.030 -2.090 5.809 286 1HB ASP 36 2HB ASP 36 -7.481 -3.615 6.382 287 2HB ASP 36 1HB ASP 36 -8.494 -2.851 7.603 288 H ASN 37 H ASN 37 -7.069 -1.525 4.063 289 HA ASN 37 HA ASN 37 -6.258 0.653 5.787 290 1HB ASN 37 2HB ASN 37 -5.288 -0.227 3.061 291 2HB ASN 37 1HB ASN 37 -4.643 1.174 3.907 292 1HD2 ASN 37 1HD2 ASN 37 -3.580 -1.558 3.074 293 2HD2 ASN 37 2HD2 ASN 37 -2.812 -2.146 4.506 294 H GLY 38 H GLY 38 -7.683 0.258 2.592 295 1HA GLY 38 2HA GLY 38 -8.131 2.264 1.219 296 2HA GLY 38 1HA GLY 38 -9.575 1.617 1.958 297 H VAL 39 H VAL 39 -10.852 3.098 2.715 298 HA VAL 39 HA VAL 39 -9.709 5.677 3.565 299 HB VAL 39 HB VAL 39 -12.518 5.078 2.697 300 1HG1 VAL 39 1HG1 VAL 39 -12.829 7.073 3.706 301 2HG1 VAL 39 2HG1 VAL 39 -12.141 7.709 2.212 302 3HG1 VAL 39 3HG1 VAL 39 -11.118 7.496 3.634 303 1HG2 VAL 39 1HG2 VAL 39 -11.681 4.894 0.636 304 2HG2 VAL 39 2HG2 VAL 39 -10.090 5.452 1.148 305 3HG2 VAL 39 3HG2 VAL 39 -11.341 6.622 0.728 306 H ASP 40 H ASP 40 -10.824 2.987 5.133 307 HA ASP 40 HA ASP 40 -12.002 4.648 7.255 308 1HB ASP 40 2HB ASP 40 -12.805 1.839 6.477 309 2HB ASP 40 1HB ASP 40 -13.431 2.726 7.863 310 H GLY 41 H GLY 41 -9.241 3.277 6.607 311 1HA GLY 41 2HA GLY 41 -8.927 1.513 8.876 312 2HA GLY 41 1HA GLY 41 -7.670 2.005 7.753 313 H GLU 42 H GLU 42 -6.844 1.884 10.217 314 HA GLU 42 HA GLU 42 -7.108 4.525 11.462 315 1HB GLU 42 2HB GLU 42 -5.761 2.012 12.477 316 2HB GLU 42 1HB GLU 42 -5.936 3.511 13.379 317 1HG GLU 42 2HG GLU 42 -8.362 3.269 13.329 318 2HG GLU 42 1HG GLU 42 -8.194 1.772 12.412 319 H TRP 43 H TRP 43 -5.804 5.918 10.387 320 HA TRP 43 HA TRP 43 -3.094 5.080 9.686 321 1HB TRP 43 2HB TRP 43 -4.644 7.566 8.964 322 2HB TRP 43 1HB TRP 43 -3.025 7.186 8.397 323 HD1 TRP 43 HD TRP 43 -5.532 4.321 8.470 324 HE1 TRP 43 1HE TRP 43 -6.169 3.727 6.044 325 HE3 TRP 43 3HE TRP 43 -3.308 8.234 6.070 326 HZ2 TRP 43 2HZ TRP 43 -5.778 4.783 3.457 327 HZ3 TRP 43 3HZ TRP 43 -3.480 8.378 3.627 328 HH2 TRP 43 HH TRP 43 -4.690 6.685 2.342 329 H THR 44 H THR 44 -1.433 5.554 10.952 330 HA THR 44 HA THR 44 -1.673 7.778 12.858 331 HB THR 44 HB THR 44 0.224 6.710 14.034 332 HG1 THR 44 1HG THR 44 -0.068 4.657 12.101 333 1HG2 THR 44 1HG2 THR 44 -0.884 4.596 14.727 334 2HG2 THR 44 2HG2 THR 44 -2.100 4.888 13.485 335 3HG2 THR 44 3HG2 THR 44 -1.914 6.025 14.821 336 H TYR 45 H TYR 45 -0.344 9.529 12.700 337 HA TYR 45 HA TYR 45 1.555 9.529 10.456 338 1HB TYR 45 2HB TYR 45 -0.242 11.180 10.285 339 2HB TYR 45 1HB TYR 45 0.200 11.845 11.851 340 HD1 TYR 45 1HD TYR 45 2.537 10.808 9.164 341 HD2 TYR 45 2HD TYR 45 0.752 14.057 11.249 342 HE1 TYR 45 1HE TYR 45 4.090 12.363 8.060 343 HE2 TYR 45 2HE TYR 45 2.298 15.620 10.151 344 HH TYR 45 HH TYR 45 3.671 15.730 8.118 345 H ASP 46 H ASP 46 3.660 10.118 10.705 346 HA ASP 46 HA ASP 46 4.562 10.726 13.443 347 1HB ASP 46 2HB ASP 46 5.156 8.419 12.835 348 2HB ASP 46 1HB ASP 46 5.971 9.005 11.388 349 H ASP 47 H ASP 47 4.430 12.956 12.829 350 HA ASP 47 HA ASP 47 5.573 14.225 10.691 351 1HB ASP 47 2HB ASP 47 5.547 15.195 13.556 352 2HB ASP 47 1HB ASP 47 5.799 16.211 12.139 353 H ALA 48 H ALA 48 7.193 12.998 13.556 354 HA ALA 48 HA ALA 48 9.641 14.220 13.419 355 1HB ALA 48 1HB ALA 48 8.664 11.639 14.441 356 2HB ALA 48 2HB ALA 48 9.611 12.896 15.238 357 3HB ALA 48 3HB ALA 48 10.403 11.743 14.162 358 H THR 49 H THR 49 8.405 11.694 11.320 359 HA THR 49 HA THR 49 10.909 11.872 9.778 360 HB THR 49 HB THR 49 10.610 9.501 9.143 361 HG1 THR 49 1HG THR 49 9.060 8.274 10.131 362 1HG2 THR 49 1HG2 THR 49 10.832 8.560 11.588 363 2HG2 THR 49 2HG2 THR 49 11.006 10.271 11.978 364 3HG2 THR 49 3HG2 THR 49 12.118 9.507 10.842 365 H LYS 50 H LYS 50 8.006 13.021 9.630 366 HA LYS 50 HA LYS 50 6.449 13.498 8.011 367 1HB LYS 50 2HB LYS 50 8.835 13.104 6.191 368 2HB LYS 50 1HB LYS 50 7.387 14.028 5.821 369 1HG LYS 50 2HG LYS 50 9.268 14.700 8.069 370 2HG LYS 50 1HG LYS 50 9.374 15.395 6.451 371 1HD LYS 50 2HD LYS 50 6.893 15.547 8.152 372 2HD LYS 50 1HD LYS 50 8.150 16.786 8.164 373 1HE LYS 50 2HE LYS 50 7.821 17.167 5.786 374 2HE LYS 50 1HE LYS 50 6.607 15.890 5.730 375 1HZ LYS 50 1HZ LYS 50 5.976 18.425 6.015 376 2HZ LYS 50 2HZ LYS 50 6.186 18.048 7.650 377 3HZ LYS 50 3HZ LYS 50 5.061 17.191 6.724 378 H THR 51 H THR 51 6.518 10.782 8.787 379 HA THR 51 HA THR 51 5.816 9.433 6.265 380 HB THR 51 HB THR 51 7.007 8.269 8.787 381 HG1 THR 51 1HG THR 51 8.544 9.252 7.496 382 1HG2 THR 51 1HG2 THR 51 6.560 6.198 8.141 383 2HG2 THR 51 2HG2 THR 51 6.959 6.547 6.458 384 3HG2 THR 51 3HG2 THR 51 5.349 6.911 7.075 385 H PHE 52 H PHE 52 3.909 8.290 6.168 386 HA PHE 52 HA PHE 52 2.132 8.616 8.492 387 1HB PHE 52 2HB PHE 52 1.420 8.260 5.583 388 2HB PHE 52 1HB PHE 52 0.267 8.388 6.906 389 HD1 PHE 52 1HD PHE 52 -0.032 10.509 8.092 390 HD2 PHE 52 2HD PHE 52 2.526 10.185 4.707 391 HE1 PHE 52 1HE PHE 52 -0.036 12.958 7.861 392 HE2 PHE 52 2HE PHE 52 2.529 12.635 4.470 393 HZ PHE 52 HZ PHE 52 1.245 14.023 6.048 394 H THR 53 H THR 53 2.524 6.819 9.595 395 HA THR 53 HA THR 53 2.573 4.209 8.395 396 HB THR 53 HB THR 53 2.368 3.471 10.887 397 HG1 THR 53 1HG THR 53 3.278 6.109 11.286 398 1HG2 THR 53 1HG2 THR 53 4.419 3.064 9.927 399 2HG2 THR 53 2HG2 THR 53 4.812 4.148 11.268 400 3HG2 THR 53 3HG2 THR 53 4.731 4.777 9.622 401 H VAL 54 H VAL 54 1.020 2.823 8.060 402 HA VAL 54 HA VAL 54 -1.635 3.338 9.230 403 HB VAL 54 HB VAL 54 -1.070 2.214 6.474 404 1HG1 VAL 54 1HG1 VAL 54 -3.085 1.270 6.860 405 2HG1 VAL 54 2HG1 VAL 54 -3.680 2.880 6.456 406 3HG1 VAL 54 3HG1 VAL 54 -3.494 2.408 8.145 407 1HG2 VAL 54 1HG2 VAL 54 -0.863 4.822 7.166 408 2HG2 VAL 54 2HG2 VAL 54 -2.574 4.726 6.753 409 3HG2 VAL 54 3HG2 VAL 54 -1.354 4.256 5.570 410 H THR 55 H THR 55 -2.438 1.667 10.376 411 HA THR 55 HA THR 55 -1.134 -0.942 10.003 412 HB THR 55 HB THR 55 -2.419 -0.030 12.567 413 HG1 THR 55 1HG THR 55 0.271 0.246 11.710 414 1HG2 THR 55 1HG2 THR 55 -1.057 -1.711 13.602 415 2HG2 THR 55 2HG2 THR 55 -0.284 -2.086 12.061 416 3HG2 THR 55 3HG2 THR 55 -1.994 -2.448 12.302 417 H GLU 56 H GLU 56 -2.335 -2.553 9.325 418 HA GLU 56 HA GLU 56 -5.060 -2.295 8.723 419 1HB GLU 56 2HB GLU 56 -3.606 -3.872 7.559 420 2HB GLU 56 1HB GLU 56 -3.380 -4.791 9.041 421 1HG GLU 56 2HG GLU 56 -5.778 -5.326 9.055 422 2HG GLU 56 1HG GLU 56 -5.966 -4.447 7.540 423 1H MET 1 1HT MET 1 6.839 18.378 -2.562 424 2H MET 1 2HT MET 1 7.369 19.730 -1.695 425 3H MET 1 3HT MET 1 5.793 19.153 -1.482 426 HA MET 1 HA MET 1 8.329 18.061 -0.492 427 1HB MET 1 2HB MET 1 7.018 19.442 0.995 428 2HB MET 1 1HB MET 1 5.566 18.515 0.650 429 1HG MET 1 2HG MET 1 6.364 17.868 2.793 430 2HG MET 1 1HG MET 1 6.653 16.535 1.677 431 1HE MET 1 1HE MET 1 9.883 19.398 3.275 432 2HE MET 1 2HE MET 1 8.362 19.136 4.129 433 3HE MET 1 3HE MET 1 8.359 19.890 2.534 434 H GLN 2 H GLN 2 8.674 15.930 -0.204 435 HA GLN 2 HA GLN 2 6.698 14.084 -1.341 436 1HB GLN 2 2HB GLN 2 8.938 14.002 -2.345 437 2HB GLN 2 1HB GLN 2 9.644 13.685 -0.767 438 1HG GLN 2 2HG GLN 2 8.437 11.568 -0.648 439 2HG GLN 2 1HG GLN 2 7.721 11.887 -2.227 440 1HE2 GLN 2 1HE2 GLN 2 8.653 10.818 -3.800 441 2HE2 GLN 2 2HE2 GLN 2 10.323 10.386 -3.900 442 H TYR 3 H TYR 3 5.877 12.399 -0.152 443 HA TYR 3 HA TYR 3 6.713 12.254 2.668 444 1HB TYR 3 2HB TYR 3 3.900 12.142 1.566 445 2HB TYR 3 1HB TYR 3 4.327 11.775 3.234 446 HD1 TYR 3 1HD TYR 3 4.550 13.492 4.822 447 HD2 TYR 3 2HD TYR 3 4.371 14.479 0.688 448 HE1 TYR 3 1HE TYR 3 4.358 15.872 5.406 449 HE2 TYR 3 2HE TYR 3 4.179 16.864 1.260 450 HH TYR 3 HH TYR 3 4.823 18.072 4.337 451 H LYS 4 H LYS 4 6.828 10.250 3.597 452 HA LYS 4 HA LYS 4 6.501 7.981 1.747 453 1HB LYS 4 2HB LYS 4 8.808 8.302 2.451 454 2HB LYS 4 1HB LYS 4 8.323 8.285 4.142 455 1HG LYS 4 2HG LYS 4 7.589 5.954 3.888 456 2HG LYS 4 1HG LYS 4 8.139 5.979 2.213 457 1HD LYS 4 2HD LYS 4 9.876 6.428 4.641 458 2HD LYS 4 1HD LYS 4 9.785 4.933 3.707 459 1HE LYS 4 2HE LYS 4 10.654 7.609 2.619 460 2HE LYS 4 1HE LYS 4 11.745 6.322 3.125 461 1HZ LYS 4 1HZ LYS 4 9.684 5.689 1.141 462 2HZ LYS 4 2HZ LYS 4 11.241 5.056 1.318 463 3HZ LYS 4 3HZ LYS 4 11.026 6.588 0.637 464 H VAL 5 H VAL 5 4.677 6.909 2.127 465 HA VAL 5 HA VAL 5 3.589 6.846 4.833 466 HB VAL 5 HB VAL 5 2.359 5.837 2.264 467 1HG1 VAL 5 1HG1 VAL 5 1.644 5.015 4.694 468 2HG1 VAL 5 2HG1 VAL 5 0.472 5.293 3.405 469 3HG1 VAL 5 3HG1 VAL 5 0.731 6.523 4.641 470 1HG2 VAL 5 1HG2 VAL 5 2.826 8.451 2.942 471 2HG2 VAL 5 2HG2 VAL 5 1.182 8.187 3.528 472 3HG2 VAL 5 3HG2 VAL 5 1.574 7.884 1.835 473 H ILE 6 H ILE 6 3.806 5.191 6.122 474 HA ILE 6 HA ILE 6 4.949 2.703 5.098 475 HB ILE 6 HB ILE 6 4.676 3.792 7.894 476 1HG1 ILE 6 2HG1 ILE 6 7.101 3.018 6.265 477 2HG1 ILE 6 1HG1 ILE 6 6.500 4.660 6.444 478 1HG2 ILE 6 1HG2 ILE 6 4.461 1.625 8.499 479 2HG2 ILE 6 2HG2 ILE 6 6.208 1.620 8.258 480 3HG2 ILE 6 3HG2 ILE 6 5.141 1.023 6.986 481 1HD1 ILE 6 1HD1 ILE 6 8.005 2.971 8.328 482 2HD1 ILE 6 2HD1 ILE 6 6.754 3.999 9.024 483 3HD1 ILE 6 3HD1 ILE 6 8.054 4.716 8.073 484 H LEU 7 H LEU 7 3.742 0.995 4.736 485 HA LEU 7 HA LEU 7 1.029 0.914 5.851 486 1HB LEU 7 2HB LEU 7 2.052 -0.857 3.651 487 2HB LEU 7 1HB LEU 7 0.399 -0.376 3.993 488 HG LEU 7 HG LEU 7 2.568 1.355 2.822 489 1HD1 LEU 7 1HD1 LEU 7 1.578 -0.253 1.271 490 2HD1 LEU 7 2HD1 LEU 7 1.131 1.403 0.864 491 3HD1 LEU 7 3HD1 LEU 7 -0.029 0.348 1.672 492 1HD2 LEU 7 1HD2 LEU 7 1.173 2.633 4.371 493 2HD2 LEU 7 2HD2 LEU 7 -0.273 2.072 3.534 494 3HD2 LEU 7 3HD2 LEU 7 0.885 3.109 2.697 495 H ASN 8 H ASN 8 1.713 0.149 7.905 496 HA ASN 8 HA ASN 8 2.999 -2.457 8.031 497 1HB ASN 8 2HB ASN 8 2.241 -0.443 10.139 498 2HB ASN 8 1HB ASN 8 2.849 -2.043 10.541 499 1HD2 ASN 8 1HD2 ASN 8 4.384 -1.340 7.761 500 2HD2 ASN 8 2HD2 ASN 8 5.801 -0.586 8.385 501 H GLY 9 H GLY 9 1.688 -4.155 7.698 502 1HA GLY 9 2HA GLY 9 -0.940 -4.134 9.048 503 2HA GLY 9 1HA GLY 9 -0.593 -5.040 7.584 504 H LYS 10 H LYS 10 -1.613 -6.716 9.071 505 HA LYS 10 HA LYS 10 0.070 -7.765 11.150 506 1HB LYS 10 2HB LYS 10 -2.376 -8.950 9.826 507 2HB LYS 10 1HB LYS 10 -1.595 -9.582 11.269 508 1HG LYS 10 2HG LYS 10 -2.113 -7.502 12.453 509 2HG LYS 10 1HG LYS 10 -2.917 -6.889 11.006 510 1HD LYS 10 2HD LYS 10 -3.710 -9.350 12.562 511 2HD LYS 10 1HD LYS 10 -4.525 -7.787 12.619 512 1HE LYS 10 2HE LYS 10 -5.045 -7.977 10.233 513 2HE LYS 10 1HE LYS 10 -4.233 -9.540 10.180 514 1HZ LYS 10 1HZ LYS 10 -6.561 -9.909 10.376 515 2HZ LYS 10 2HZ LYS 10 -6.692 -8.857 11.693 516 3HZ LYS 10 3HZ LYS 10 -5.860 -10.320 11.861 517 H THR 11 H THR 11 -1.019 -8.993 7.985 518 HA THR 11 HA THR 11 1.248 -10.843 7.954 519 HB THR 11 HB THR 11 -0.125 -11.803 5.987 520 HG1 THR 11 1HG THR 11 -2.367 -11.315 6.187 521 1HG2 THR 11 1HG2 THR 11 -0.759 -13.372 7.407 522 2HG2 THR 11 2HG2 THR 11 -1.917 -12.279 8.165 523 3HG2 THR 11 3HG2 THR 11 -0.245 -12.320 8.727 524 H LEU 12 H LEU 12 0.612 -7.819 6.971 525 HA LEU 12 HA LEU 12 2.360 -8.093 4.645 526 1HB LEU 12 2HB LEU 12 0.093 -7.947 3.783 527 2HB LEU 12 1HB LEU 12 -0.197 -6.500 4.727 528 HG LEU 12 HG LEU 12 1.298 -5.222 3.379 529 1HD1 LEU 12 1HD1 LEU 12 2.105 -6.866 1.300 530 2HD1 LEU 12 2HD1 LEU 12 2.372 -7.825 2.752 531 3HD1 LEU 12 3HD1 LEU 12 3.114 -6.237 2.604 532 1HD2 LEU 12 1HD2 LEU 12 0.111 -6.622 1.125 533 2HD2 LEU 12 2HD2 LEU 12 -0.157 -4.981 1.709 534 3HD2 LEU 12 3HD2 LEU 12 -1.034 -6.330 2.433 535 H LYS 13 H LYS 13 3.849 -6.523 4.403 536 HA LYS 13 HA LYS 13 3.660 -4.076 5.981 537 1HB LYS 13 2HB LYS 13 6.003 -5.981 6.185 538 2HB LYS 13 1HB LYS 13 5.944 -4.368 6.883 539 1HG LYS 13 2HG LYS 13 4.088 -5.051 8.315 540 2HG LYS 13 1HG LYS 13 4.141 -6.668 7.612 541 1HD LYS 13 2HD LYS 13 6.422 -6.957 8.446 542 2HD LYS 13 1HD LYS 13 6.377 -5.336 9.141 543 1HE LYS 13 2HE LYS 13 5.948 -7.035 10.839 544 2HE LYS 13 1HE LYS 13 4.539 -6.004 10.600 545 1HZ LYS 13 1HZ LYS 13 4.623 -8.410 8.980 546 2HZ LYS 13 2HZ LYS 13 3.325 -7.703 9.803 547 3HZ LYS 13 3HZ LYS 13 4.436 -8.664 10.643 548 H GLY 14 H GLY 14 4.847 -2.347 5.104 549 1HA GLY 14 2HA GLY 14 6.808 -2.678 3.086 550 2HA GLY 14 1HA GLY 14 5.245 -2.373 2.348 551 H GLU 15 H GLU 15 6.821 -0.576 1.608 552 HA GLU 15 HA GLU 15 6.186 1.781 3.220 553 1HB GLU 15 2HB GLU 15 8.918 1.196 2.056 554 2HB GLU 15 1HB GLU 15 8.435 2.731 2.761 555 1HG GLU 15 2HG GLU 15 9.693 1.589 4.395 556 2HG GLU 15 1HG GLU 15 8.008 1.506 4.904 557 H THR 16 H THR 16 5.540 3.497 2.048 558 HA THR 16 HA THR 16 5.961 3.442 -0.850 559 HB THR 16 HB THR 16 3.801 2.629 -0.839 560 HG1 THR 16 1HG THR 16 3.319 5.390 -0.667 561 1HG2 THR 16 1HG2 THR 16 3.359 2.692 1.543 562 2HG2 THR 16 2HG2 THR 16 2.000 3.346 0.630 563 3HG2 THR 16 3HG2 THR 16 3.111 4.433 1.458 564 H THR 17 H THR 17 5.393 5.588 -1.882 565 HA THR 17 HA THR 17 5.701 7.841 -0.046 566 HB THR 17 HB THR 17 7.534 8.777 -1.438 567 HG1 THR 17 1HG THR 17 7.620 6.184 -2.574 568 1HG2 THR 17 1HG2 THR 17 8.035 7.493 0.632 569 2HG2 THR 17 2HG2 THR 17 9.318 7.461 -0.577 570 3HG2 THR 17 3HG2 THR 17 8.263 6.063 -0.373 571 H THR 18 H THR 18 4.256 9.310 -0.508 572 HA THR 18 HA THR 18 3.314 9.651 -3.294 573 HB THR 18 HB THR 18 1.579 9.066 -1.612 574 HG1 THR 18 1HG THR 18 1.097 10.438 -3.412 575 1HG2 THR 18 1HG2 THR 18 0.873 11.000 -0.095 576 2HG2 THR 18 2HG2 THR 18 2.536 11.561 -0.273 577 3HG2 THR 18 3HG2 THR 18 2.212 9.975 0.425 578 H GLU 19 H GLU 19 3.289 11.745 -4.188 579 HA GLU 19 HA GLU 19 4.942 13.710 -2.739 580 1HB GLU 19 2HB GLU 19 5.894 12.933 -4.863 581 2HB GLU 19 1HB GLU 19 4.436 13.432 -5.709 582 1HG GLU 19 2HG GLU 19 4.878 15.753 -5.119 583 2HG GLU 19 1HG GLU 19 6.330 15.260 -4.247 584 H ALA 20 H ALA 20 3.890 15.412 -1.917 585 HA ALA 20 HA ALA 20 1.759 16.654 -3.458 586 1HB ALA 20 1HB ALA 20 1.205 15.962 -0.593 587 2HB ALA 20 2HB ALA 20 0.779 14.874 -1.916 588 3HB ALA 20 3HB ALA 20 0.079 16.490 -1.843 589 H VAL 21 H VAL 21 1.273 18.761 -2.854 590 HA VAL 21 HA VAL 21 3.356 20.416 -2.172 591 HB VAL 21 HB VAL 21 0.467 21.072 -1.607 592 1HG1 VAL 21 1HG1 VAL 21 1.133 23.360 -2.089 593 2HG1 VAL 21 2HG1 VAL 21 2.788 22.830 -2.393 594 3HG1 VAL 21 3HG1 VAL 21 2.100 22.695 -0.774 595 1HG2 VAL 21 1HG2 VAL 21 0.365 20.296 -3.793 596 2HG2 VAL 21 2HG2 VAL 21 1.970 20.910 -4.192 597 3HG2 VAL 21 3HG2 VAL 21 0.621 22.029 -3.999 598 H ASP 22 H ASP 22 1.197 18.731 -0.031 599 HA ASP 22 HA ASP 22 2.852 19.482 2.224 600 1HB ASP 22 2HB ASP 22 0.852 20.168 3.608 601 2HB ASP 22 1HB ASP 22 1.347 21.315 2.369 602 H ALA 23 H ALA 23 1.894 18.438 4.315 603 HA ALA 23 HA ALA 23 1.901 15.677 3.930 604 1HB ALA 23 1HB ALA 23 0.635 16.287 6.414 605 2HB ALA 23 2HB ALA 23 1.927 17.451 6.124 606 3HB ALA 23 3HB ALA 23 2.278 15.723 6.116 607 H ALA 24 H ALA 24 -0.799 17.894 4.480 608 HA ALA 24 HA ALA 24 -2.808 15.928 4.662 609 1HB ALA 24 1HB ALA 24 -3.586 17.969 5.371 610 2HB ALA 24 2HB ALA 24 -4.244 17.944 3.734 611 3HB ALA 24 3HB ALA 24 -2.772 18.851 4.079 612 H THR 25 H THR 25 -1.818 17.936 1.874 613 HA THR 25 HA THR 25 -3.437 16.761 -0.037 614 HB THR 25 HB THR 25 -1.634 17.446 -1.665 615 HG1 THR 25 1HG THR 25 -0.258 17.756 0.713 616 1HG2 THR 25 1HG2 THR 25 -2.546 19.464 0.353 617 2HG2 THR 25 2HG2 THR 25 -3.281 19.080 -1.202 618 3HG2 THR 25 3HG2 THR 25 -1.709 19.878 -1.144 619 H ALA 26 H ALA 26 -0.213 15.812 1.095 620 HA ALA 26 HA ALA 26 0.122 13.596 -0.607 621 1HB ALA 26 1HB ALA 26 1.620 14.803 1.371 622 2HB ALA 26 2HB ALA 26 2.056 13.334 0.500 623 3HB ALA 26 3HB ALA 26 1.243 13.225 2.061 624 H GLU 27 H GLU 27 -1.071 13.799 2.752 625 HA GLU 27 HA GLU 27 -1.765 11.190 3.189 626 1HB GLU 27 2HB GLU 27 -1.865 12.993 4.868 627 2HB GLU 27 1HB GLU 27 -3.278 13.655 4.061 628 1HG GLU 27 2HG GLU 27 -3.998 12.430 5.971 629 2HG GLU 27 1HG GLU 27 -4.472 11.536 4.529 630 H LYS 28 H LYS 28 -3.799 13.741 1.761 631 HA LYS 28 HA LYS 28 -6.086 12.212 1.328 632 1HB LYS 28 2HB LYS 28 -5.017 14.543 -0.271 633 2HB LYS 28 1HB LYS 28 -6.645 13.893 -0.420 634 1HG LYS 28 2HG LYS 28 -5.441 15.161 2.031 635 2HG LYS 28 1HG LYS 28 -6.660 15.867 0.966 636 1HD LYS 28 2HD LYS 28 -8.210 14.066 1.559 637 2HD LYS 28 1HD LYS 28 -6.991 13.370 2.628 638 1HE LYS 28 2HE LYS 28 -8.248 16.099 2.904 639 2HE LYS 28 1HE LYS 28 -8.626 14.683 3.883 640 1HZ LYS 28 1HZ LYS 28 -7.099 15.587 5.241 641 2HZ LYS 28 2HZ LYS 28 -6.343 16.469 4.013 642 3HZ LYS 28 3HZ LYS 28 -5.991 14.827 4.214 643 H VAL 29 H VAL 29 -3.201 12.611 -0.652 644 HA VAL 29 HA VAL 29 -4.091 11.350 -2.976 645 HB VAL 29 HB VAL 29 -1.307 11.372 -1.799 646 1HG1 VAL 29 1HG1 VAL 29 -0.740 11.132 -4.324 647 2HG1 VAL 29 2HG1 VAL 29 -2.364 10.453 -4.437 648 3HG1 VAL 29 3HG1 VAL 29 -1.165 9.701 -3.385 649 1HG2 VAL 29 1HG2 VAL 29 -1.026 13.441 -2.607 650 2HG2 VAL 29 2HG2 VAL 29 -2.788 13.509 -2.641 651 3HG2 VAL 29 3HG2 VAL 29 -1.894 13.078 -4.099 652 H VAL 30 H VAL 30 -2.739 10.006 -0.012 653 HA VAL 30 HA VAL 30 -2.501 7.344 -0.933 654 HB VAL 30 HB VAL 30 -3.030 8.270 1.895 655 1HG1 VAL 30 1HG1 VAL 30 -3.259 5.794 1.245 656 2HG1 VAL 30 2HG1 VAL 30 -2.246 6.202 2.629 657 3HG1 VAL 30 3HG1 VAL 30 -1.505 5.827 1.074 658 1HG2 VAL 30 1HG2 VAL 30 -0.531 8.123 2.113 659 2HG2 VAL 30 2HG2 VAL 30 -1.120 9.458 1.121 660 3HG2 VAL 30 3HG2 VAL 30 -0.458 8.015 0.354 661 H LYS 31 H LYS 31 -5.087 9.049 0.855 662 HA LYS 31 HA LYS 31 -6.893 7.031 1.237 663 1HB LYS 31 2HB LYS 31 -7.286 9.933 0.594 664 2HB LYS 31 1HB LYS 31 -8.674 8.869 0.764 665 1HG LYS 31 2HG LYS 31 -8.259 10.013 2.839 666 2HG LYS 31 1HG LYS 31 -7.933 8.291 3.035 667 1HD LYS 31 2HD LYS 31 -5.520 8.766 2.705 668 2HD LYS 31 1HD LYS 31 -5.903 10.487 2.654 669 1HE LYS 31 2HE LYS 31 -6.484 8.642 4.967 670 2HE LYS 31 1HE LYS 31 -5.117 9.751 4.874 671 1HZ LYS 31 1HZ LYS 31 -7.578 11.090 4.369 672 2HZ LYS 31 2HZ LYS 31 -6.394 11.425 5.529 673 3HZ LYS 31 3HZ LYS 31 -7.615 10.303 5.868 674 H GLN 32 H GLN 32 -6.359 8.890 -1.709 675 HA GLN 32 HA GLN 32 -8.425 7.547 -3.180 676 1HB GLN 32 2HB GLN 32 -7.624 9.809 -3.804 677 2HB GLN 32 1HB GLN 32 -6.051 9.131 -4.198 678 1HG GLN 32 2HG GLN 32 -7.276 9.486 -6.217 679 2HG GLN 32 1HG GLN 32 -7.108 7.755 -5.943 680 1HE2 GLN 32 1HE2 GLN 32 -9.393 9.067 -3.835 681 2HE2 GLN 32 2HE2 GLN 32 -10.809 8.667 -4.729 682 H PHE 33 H PHE 33 -4.991 7.168 -2.705 683 HA PHE 33 HA PHE 33 -4.369 5.308 -4.666 684 1HB PHE 33 2HB PHE 33 -2.785 6.504 -3.107 685 2HB PHE 33 1HB PHE 33 -3.248 5.356 -1.856 686 HD1 PHE 33 1HD PHE 33 -1.843 5.549 -5.278 687 HD2 PHE 33 2HD PHE 33 -2.080 3.343 -1.633 688 HE1 PHE 33 1HE PHE 33 -0.114 4.002 -6.093 689 HE2 PHE 33 2HE PHE 33 -0.349 1.802 -2.459 690 HZ PHE 33 HZ PHE 33 0.630 2.139 -4.694 691 H PHE 34 H PHE 34 -5.239 4.659 -1.286 692 HA PHE 34 HA PHE 34 -5.537 1.845 -1.723 693 1HB PHE 34 2HB PHE 34 -6.301 3.568 0.630 694 2HB PHE 34 1HB PHE 34 -6.383 1.805 0.609 695 HD1 PHE 34 1HD PHE 34 -3.990 1.069 -0.839 696 HD2 PHE 34 2HD PHE 34 -4.561 4.101 2.090 697 HE1 PHE 34 1HE PHE 34 -1.607 0.959 -0.269 698 HE2 PHE 34 2HE PHE 34 -2.173 3.988 2.670 699 HZ PHE 34 HZ PHE 34 -0.702 2.419 1.476 700 H ASN 35 H ASN 35 -7.793 4.540 -1.426 701 HA ASN 35 HA ASN 35 -10.195 3.191 -1.317 702 1HB ASN 35 2HB ASN 35 -10.097 5.610 -1.212 703 2HB ASN 35 1HB ASN 35 -9.489 5.697 -2.863 704 1HD2 ASN 35 1HD2 ASN 35 -12.105 6.177 -1.054 705 2HD2 ASN 35 2HD2 ASN 35 -13.352 5.903 -2.216 706 H ASP 36 H ASP 36 -8.095 3.780 -4.033 707 HA ASP 36 HA ASP 36 -9.893 2.386 -5.862 708 1HB ASP 36 2HB ASP 36 -7.301 3.846 -6.397 709 2HB ASP 36 1HB ASP 36 -8.313 3.107 -7.632 710 H ASN 37 H ASN 37 -6.973 1.748 -4.073 711 HA ASN 37 HA ASN 37 -6.191 -0.449 -5.786 712 1HB ASN 37 2HB ASN 37 -5.237 0.408 -3.046 713 2HB ASN 37 1HB ASN 37 -4.616 -1.009 -3.884 714 1HD2 ASN 37 1HD2 ASN 37 -3.497 1.697 -3.035 715 2HD2 ASN 37 2HD2 ASN 37 -2.696 2.265 -4.457 716 H GLY 38 H GLY 38 -7.650 -0.018 -2.611 717 1HA GLY 38 2HA GLY 38 -8.166 -2.014 -1.244 718 2HA GLY 38 1HA GLY 38 -9.583 -1.331 -2.004 719 H VAL 39 H VAL 39 -10.885 -2.781 -2.780 720 HA VAL 39 HA VAL 39 -9.793 -5.387 -3.614 721 HB VAL 39 HB VAL 39 -12.598 -4.721 -2.785 722 1HG1 VAL 39 1HG1 VAL 39 -12.944 -6.707 -3.800 723 2HG1 VAL 39 2HG1 VAL 39 -12.292 -7.360 -2.296 724 3HG1 VAL 39 3HG1 VAL 39 -11.244 -7.171 -3.703 725 1HG2 VAL 39 1HG2 VAL 39 -11.787 -4.556 -0.713 726 2HG2 VAL 39 2HG2 VAL 39 -10.202 -5.153 -1.203 727 3HG2 VAL 39 3HG2 VAL 39 -11.486 -6.291 -0.800 728 H ASP 40 H ASP 40 -10.820 -2.671 -5.197 729 HA ASP 40 HA ASP 40 -12.008 -4.304 -7.335 730 1HB ASP 40 2HB ASP 40 -12.753 -1.476 -6.568 731 2HB ASP 40 1HB ASP 40 -13.381 -2.348 -7.963 732 H GLY 41 H GLY 41 -9.224 -3.000 -6.649 733 1HA GLY 41 2HA GLY 41 -8.835 -1.244 -8.912 734 2HA GLY 41 1HA GLY 41 -7.606 -1.767 -7.771 735 H GLU 42 H GLU 42 -6.743 -1.667 -10.224 736 HA GLU 42 HA GLU 42 -7.052 -4.301 -11.474 737 1HB GLU 42 2HB GLU 42 -5.631 -1.821 -12.469 738 2HB GLU 42 1HB GLU 42 -5.829 -3.316 -13.374 739 1HG GLU 42 2HG GLU 42 -8.249 -3.014 -13.356 740 2HG GLU 42 1HG GLU 42 -8.058 -1.522 -12.437 741 H TRP 43 H TRP 43 -5.798 -5.724 -10.379 742 HA TRP 43 HA TRP 43 -3.078 -4.951 -9.641 743 1HB TRP 43 2HB TRP 43 -4.700 -7.400 -8.942 744 2HB TRP 43 1HB TRP 43 -3.079 -7.059 -8.350 745 HD1 TRP 43 HD TRP 43 -5.516 -4.135 -8.459 746 HE1 TRP 43 1HE TRP 43 -6.172 -3.525 -6.042 747 HE3 TRP 43 3HE TRP 43 -3.421 -8.100 -6.028 748 HZ2 TRP 43 2HZ TRP 43 -5.843 -4.591 -3.452 749 HZ3 TRP 43 3HZ TRP 43 -3.630 -8.239 -3.588 750 HH2 TRP 43 HH TRP 43 -4.818 -6.516 -2.321 751 H THR 44 H THR 44 -1.412 -5.466 -10.883 752 HA THR 44 HA THR 44 -1.680 -7.685 -12.792 753 HB THR 44 HB THR 44 0.259 -6.664 -13.942 754 HG1 THR 44 1HG THR 44 -0.010 -4.603 -12.014 755 1HG2 THR 44 1HG2 THR 44 -0.787 -4.524 -14.650 756 2HG2 THR 44 2HG2 THR 44 -2.029 -4.786 -13.425 757 3HG2 THR 44 3HG2 THR 44 -1.849 -5.927 -14.758 758 H TYR 45 H TYR 45 -0.397 -9.467 -12.616 759 HA TYR 45 HA TYR 45 1.471 -9.513 -10.346 760 1HB TYR 45 2HB TYR 45 -0.367 -11.120 -10.200 761 2HB TYR 45 1HB TYR 45 0.079 -11.796 -11.761 762 HD1 TYR 45 1HD TYR 45 2.403 -10.814 -9.038 763 HD2 TYR 45 2HD TYR 45 0.568 -14.020 -11.152 764 HE1 TYR 45 1HE TYR 45 3.901 -12.406 -7.914 765 HE2 TYR 45 2HE TYR 45 2.061 -15.620 -10.031 766 HH TYR 45 HH TYR 45 3.402 -15.764 -7.979 767 H ASP 46 H ASP 46 3.565 -10.152 -10.565 768 HA ASP 46 HA ASP 46 4.489 -10.783 -13.291 769 1HB ASP 46 2HB ASP 46 5.131 -8.492 -12.673 770 2HB ASP 46 1HB ASP 46 5.910 -9.097 -11.214 771 H ASP 47 H ASP 47 4.294 -13.010 -12.678 772 HA ASP 47 HA ASP 47 5.377 -14.305 -10.525 773 1HB ASP 47 2HB ASP 47 5.368 -15.276 -13.389 774 2HB ASP 47 1HB ASP 47 5.574 -16.297 -11.969 775 H ALA 48 H ALA 48 7.066 -13.118 -13.366 776 HA ALA 48 HA ALA 48 9.480 -14.399 -13.194 777 1HB ALA 48 1HB ALA 48 8.583 -11.796 -14.229 778 2HB ALA 48 2HB ALA 48 9.510 -13.075 -15.013 779 3HB ALA 48 3HB ALA 48 10.313 -11.942 -13.927 780 H THR 49 H THR 49 8.278 -11.844 -11.113 781 HA THR 49 HA THR 49 10.755 -12.082 -9.537 782 HB THR 49 HB THR 49 10.504 -9.705 -8.904 783 HG1 THR 49 1HG THR 49 8.999 -8.441 -9.912 784 1HG2 THR 49 1HG2 THR 49 10.783 -8.770 -11.347 785 2HG2 THR 49 2HG2 THR 49 10.922 -10.484 -11.734 786 3HG2 THR 49 3HG2 THR 49 12.035 -9.747 -10.582 787 H LYS 50 H LYS 50 7.822 -13.161 -9.429 788 HA LYS 50 HA LYS 50 6.232 -13.599 -7.832 789 1HB LYS 50 2HB LYS 50 8.600 -13.263 -5.978 790 2HB LYS 50 1HB LYS 50 7.125 -14.151 -5.629 791 1HG LYS 50 2HG LYS 50 9.021 -14.870 -7.851 792 2HG LYS 50 1HG LYS 50 9.087 -15.566 -6.231 793 1HD LYS 50 2HD LYS 50 6.628 -15.657 -7.967 794 2HD LYS 50 1HD LYS 50 7.855 -16.927 -7.963 795 1HE LYS 50 2HE LYS 50 7.482 -17.301 -5.588 796 2HE LYS 50 1HE LYS 50 6.300 -15.995 -5.549 797 1HZ LYS 50 1HZ LYS 50 5.611 -18.514 -5.845 798 2HZ LYS 50 2HZ LYS 50 5.854 -18.142 -7.475 799 3HZ LYS 50 3HZ LYS 50 4.736 -17.257 -6.566 800 H THR 51 H THR 51 6.377 -10.887 -8.607 801 HA THR 51 HA THR 51 5.674 -9.520 -6.094 802 HB THR 51 HB THR 51 6.927 -8.386 -8.599 803 HG1 THR 51 1HG THR 51 8.422 -9.405 -7.286 804 1HG2 THR 51 1HG2 THR 51 6.521 -6.305 -7.958 805 2HG2 THR 51 2HG2 THR 51 6.889 -6.663 -6.271 806 3HG2 THR 51 3HG2 THR 51 5.279 -6.987 -6.911 807 H PHE 52 H PHE 52 3.794 -8.331 -6.023 808 HA PHE 52 HA PHE 52 2.042 -8.614 -8.373 809 1HB PHE 52 2HB PHE 52 1.298 -8.240 -5.475 810 2HB PHE 52 1HB PHE 52 0.161 -8.339 -6.813 811 HD1 PHE 52 1HD PHE 52 -0.172 -10.454 -8.004 812 HD2 PHE 52 2HD PHE 52 2.344 -10.191 -4.584 813 HE1 PHE 52 1HE PHE 52 -0.240 -12.901 -7.773 814 HE2 PHE 52 2HE PHE 52 2.283 -12.640 -4.347 815 HZ PHE 52 HZ PHE 52 0.990 -13.997 -5.943 816 H THR 53 H THR 53 2.494 -6.827 -9.470 817 HA THR 53 HA THR 53 2.588 -4.218 -8.270 818 HB THR 53 HB THR 53 2.437 -3.476 -10.765 819 HG1 THR 53 1HG THR 53 3.288 -6.136 -11.151 820 1HG2 THR 53 1HG2 THR 53 4.482 -3.120 -9.774 821 2HG2 THR 53 2HG2 THR 53 4.868 -4.213 -11.110 822 3HG2 THR 53 3HG2 THR 53 4.749 -4.839 -9.465 823 H VAL 54 H VAL 54 1.065 -2.796 -7.956 824 HA VAL 54 HA VAL 54 -1.585 -3.246 -9.163 825 HB VAL 54 HB VAL 54 -1.032 -2.134 -6.401 826 1HG1 VAL 54 1HG1 VAL 54 -3.018 -1.142 -6.814 827 2HG1 VAL 54 2HG1 VAL 54 -3.658 -2.738 -6.418 828 3HG1 VAL 54 3HG1 VAL 54 -3.435 -2.270 -8.104 829 1HG2 VAL 54 1HG2 VAL 54 -0.877 -4.749 -7.089 830 2HG2 VAL 54 2HG2 VAL 54 -2.593 -4.611 -6.701 831 3HG2 VAL 54 3HG2 VAL 54 -1.378 -4.170 -5.500 832 H THR 55 H THR 55 -2.330 -1.557 -10.320 833 HA THR 55 HA THR 55 -0.969 1.019 -9.928 834 HB THR 55 HB THR 55 -2.238 0.138 -12.511 835 HG1 THR 55 1HG THR 55 0.430 -0.201 -11.615 836 1HG2 THR 55 1HG2 THR 55 -0.823 1.786 -13.525 837 2HG2 THR 55 2HG2 THR 55 -0.062 2.143 -11.974 838 3HG2 THR 55 3HG2 THR 55 -1.761 2.546 -12.240 839 H GLU 56 H GLU 56 -2.140 2.661 -9.267 840 HA GLU 56 HA GLU 56 -4.879 2.469 -8.704 841 1HB GLU 56 2HB GLU 56 -3.404 4.009 -7.519 842 2HB GLU 56 1HB GLU 56 -3.135 4.922 -8.998 843 1HG GLU 56 2HG GLU 56 -5.518 5.517 -9.046 844 2HG GLU 56 1HG GLU 56 -5.750 4.642 -7.532 Start of MODEL 9 1 1H MET 1 1HT MET 1 5.553 -19.936 1.761 2 2H MET 1 2HT MET 1 4.577 -18.557 1.808 3 3H MET 1 3HT MET 1 5.581 -18.925 3.118 4 HA MET 1 HA MET 1 7.506 -18.343 2.014 5 1HB MET 1 2HB MET 1 6.848 -19.691 0.000 6 2HB MET 1 1HB MET 1 5.898 -18.320 -0.549 7 1HG MET 1 2HG MET 1 7.834 -16.983 -0.839 8 2HG MET 1 1HG MET 1 8.851 -18.165 -0.018 9 1HE MET 1 1HE MET 1 6.016 -18.969 -2.658 10 2HE MET 1 2HE MET 1 6.932 -18.856 -4.159 11 3HE MET 1 3HE MET 1 6.672 -17.416 -3.174 12 H GLN 2 H GLN 2 8.124 -16.201 0.905 13 HA GLN 2 HA GLN 2 6.127 -14.177 1.660 14 1HB GLN 2 2HB GLN 2 8.173 -14.101 3.007 15 2HB GLN 2 1HB GLN 2 9.142 -13.953 1.547 16 1HG GLN 2 2HG GLN 2 8.081 -11.807 1.062 17 2HG GLN 2 1HG GLN 2 7.115 -11.955 2.526 18 1HE2 GLN 2 1HE2 GLN 2 10.036 -13.276 3.273 19 2HE2 GLN 2 2HE2 GLN 2 10.821 -11.885 3.922 20 H TYR 3 H TYR 3 5.821 -12.366 0.321 21 HA TYR 3 HA TYR 3 7.008 -12.531 -2.362 22 1HB TYR 3 2HB TYR 3 4.070 -12.144 -1.744 23 2HB TYR 3 1HB TYR 3 4.790 -11.957 -3.338 24 HD1 TYR 3 1HD TYR 3 4.567 -13.728 -4.775 25 HD2 TYR 3 2HD TYR 3 4.723 -14.508 -0.595 26 HE1 TYR 3 1HE TYR 3 4.249 -16.124 -5.218 27 HE2 TYR 3 2HE TYR 3 4.410 -16.909 -1.025 28 HH TYR 3 HH TYR 3 4.115 -18.488 -2.567 29 H LYS 4 H LYS 4 7.109 -10.532 -3.504 30 HA LYS 4 HA LYS 4 7.040 -8.215 -1.698 31 1HB LYS 4 2HB LYS 4 9.200 -8.705 -2.775 32 2HB LYS 4 1HB LYS 4 8.446 -8.553 -4.356 33 1HG LYS 4 2HG LYS 4 7.985 -6.213 -3.946 34 2HG LYS 4 1HG LYS 4 8.648 -6.347 -2.317 35 1HD LYS 4 2HD LYS 4 10.272 -5.349 -3.838 36 2HD LYS 4 1HD LYS 4 10.838 -6.916 -3.259 37 1HE LYS 4 2HE LYS 4 10.096 -7.954 -5.343 38 2HE LYS 4 1HE LYS 4 9.515 -6.392 -5.919 39 1HZ LYS 4 1HZ LYS 4 12.030 -5.783 -5.341 40 2HZ LYS 4 2HZ LYS 4 11.545 -6.341 -6.862 41 3HZ LYS 4 3HZ LYS 4 12.232 -7.413 -5.748 42 H VAL 5 H VAL 5 5.166 -7.158 -1.806 43 HA VAL 5 HA VAL 5 3.749 -7.002 -4.348 44 HB VAL 5 HB VAL 5 2.875 -6.139 -1.588 45 1HG1 VAL 5 1HG1 VAL 5 1.456 -6.168 -4.240 46 2HG1 VAL 5 2HG1 VAL 5 1.684 -4.811 -3.138 47 3HG1 VAL 5 3HG1 VAL 5 0.598 -6.130 -2.699 48 1HG2 VAL 5 1HG2 VAL 5 2.713 -8.679 -3.073 49 2HG2 VAL 5 2HG2 VAL 5 1.237 -8.166 -2.259 50 3HG2 VAL 5 3HG2 VAL 5 2.724 -8.377 -1.336 51 H ILE 6 H ILE 6 4.263 -5.425 -5.619 52 HA ILE 6 HA ILE 6 5.231 -2.876 -4.569 53 HB ILE 6 HB ILE 6 5.188 -4.004 -7.371 54 1HG1 ILE 6 2HG1 ILE 6 7.456 -3.393 -5.470 55 2HG1 ILE 6 1HG1 ILE 6 6.839 -4.996 -5.850 56 1HG2 ILE 6 1HG2 ILE 6 5.863 -2.058 -8.264 57 2HG2 ILE 6 2HG2 ILE 6 6.773 -1.587 -6.830 58 3HG2 ILE 6 3HG2 ILE 6 5.027 -1.360 -6.879 59 1HD1 ILE 6 1HD1 ILE 6 7.460 -4.511 -8.254 60 2HD1 ILE 6 2HD1 ILE 6 8.795 -4.724 -7.123 61 3HD1 ILE 6 3HD1 ILE 6 8.328 -3.106 -7.640 62 H LEU 7 H LEU 7 4.063 -1.063 -4.592 63 HA LEU 7 HA LEU 7 1.401 -1.154 -5.854 64 1HB LEU 7 2HB LEU 7 2.224 0.703 -3.633 65 2HB LEU 7 1HB LEU 7 0.603 0.245 -4.125 66 HG LEU 7 HG LEU 7 2.599 -1.530 -2.730 67 1HD1 LEU 7 1HD1 LEU 7 1.553 0.246 -1.347 68 2HD1 LEU 7 2HD1 LEU 7 1.138 -1.390 -0.838 69 3HD1 LEU 7 3HD1 LEU 7 -0.026 -0.427 -1.749 70 1HD2 LEU 7 1HD2 LEU 7 -0.235 -2.096 -3.597 71 2HD2 LEU 7 2HD2 LEU 7 0.793 -3.167 -2.646 72 3HD2 LEU 7 3HD2 LEU 7 1.223 -2.784 -4.312 73 H ASN 8 H ASN 8 1.618 -0.184 -7.820 74 HA ASN 8 HA ASN 8 3.124 2.334 -7.954 75 1HB ASN 8 2HB ASN 8 2.241 0.519 -10.204 76 2HB ASN 8 1HB ASN 8 3.237 1.962 -10.370 77 1HD2 ASN 8 1HD2 ASN 8 5.298 1.566 -10.584 78 2HD2 ASN 8 2HD2 ASN 8 6.159 0.222 -9.921 79 H GLY 9 H GLY 9 1.841 4.070 -7.682 80 1HA GLY 9 2HA GLY 9 -0.768 4.059 -9.073 81 2HA GLY 9 1HA GLY 9 -0.449 4.961 -7.599 82 H LYS 10 H LYS 10 -1.405 6.662 -9.085 83 HA LYS 10 HA LYS 10 0.334 7.687 -11.129 84 1HB LYS 10 2HB LYS 10 -2.225 8.663 -9.885 85 2HB LYS 10 1HB LYS 10 -1.311 9.670 -10.999 86 1HG LYS 10 2HG LYS 10 -3.127 8.467 -12.109 87 2HG LYS 10 1HG LYS 10 -1.544 8.016 -12.744 88 1HD LYS 10 2HD LYS 10 -1.570 5.985 -11.393 89 2HD LYS 10 1HD LYS 10 -3.138 6.443 -10.720 90 1HE LYS 10 2HE LYS 10 -3.348 4.788 -12.525 91 2HE LYS 10 1HE LYS 10 -4.149 6.308 -12.921 92 1HZ LYS 10 1HZ LYS 10 -1.404 5.646 -13.822 93 2HZ LYS 10 2HZ LYS 10 -2.398 6.902 -14.367 94 3HZ LYS 10 3HZ LYS 10 -2.783 5.299 -14.740 95 H THR 11 H THR 11 -0.760 8.912 -7.958 96 HA THR 11 HA THR 11 1.538 10.722 -7.908 97 HB THR 11 HB THR 11 0.194 11.676 -5.922 98 HG1 THR 11 1HG THR 11 -1.213 9.789 -5.883 99 1HG2 THR 11 1HG2 THR 11 -0.736 13.227 -7.255 100 2HG2 THR 11 2HG2 THR 11 -1.499 12.029 -8.298 101 3HG2 THR 11 3HG2 THR 11 0.209 12.417 -8.503 102 H LEU 12 H LEU 12 0.918 7.685 -6.963 103 HA LEU 12 HA LEU 12 2.663 7.949 -4.632 104 1HB LEU 12 2HB LEU 12 0.387 7.810 -3.782 105 2HB LEU 12 1HB LEU 12 0.112 6.345 -4.704 106 HG LEU 12 HG LEU 12 1.646 5.116 -3.335 107 1HD1 LEU 12 1HD1 LEU 12 3.415 6.229 -2.574 108 2HD1 LEU 12 2HD1 LEU 12 2.375 6.768 -1.253 109 3HD1 LEU 12 3HD1 LEU 12 2.584 7.776 -2.682 110 1HD2 LEU 12 1HD2 LEU 12 -0.737 6.181 -2.432 111 2HD2 LEU 12 2HD2 LEU 12 0.384 6.473 -1.103 112 3HD2 LEU 12 3HD2 LEU 12 0.147 4.835 -1.713 113 H LYS 13 H LYS 13 4.142 6.385 -4.382 114 HA LYS 13 HA LYS 13 3.970 3.932 -5.950 115 1HB LYS 13 2HB LYS 13 6.432 5.680 -6.087 116 2HB LYS 13 1HB LYS 13 6.138 4.186 -6.962 117 1HG LYS 13 2HG LYS 13 5.734 5.732 -8.596 118 2HG LYS 13 1HG LYS 13 4.110 5.505 -7.946 119 1HD LYS 13 2HD LYS 13 4.523 7.862 -8.239 120 2HD LYS 13 1HD LYS 13 4.447 7.502 -6.516 121 1HE LYS 13 2HE LYS 13 6.881 7.497 -6.395 122 2HE LYS 13 1HE LYS 13 6.977 7.809 -8.128 123 1HZ LYS 13 1HZ LYS 13 7.263 9.807 -6.721 124 2HZ LYS 13 2HZ LYS 13 5.668 9.630 -6.182 125 3HZ LYS 13 3HZ LYS 13 5.979 9.938 -7.817 126 H GLY 14 H GLY 14 5.163 2.209 -5.048 127 1HA GLY 14 2HA GLY 14 7.125 2.540 -3.045 128 2HA GLY 14 1HA GLY 14 5.567 2.296 -2.279 129 H GLU 15 H GLU 15 6.901 0.454 -1.433 130 HA GLU 15 HA GLU 15 6.261 -1.925 -2.996 131 1HB GLU 15 2HB GLU 15 9.013 -1.423 -1.840 132 2HB GLU 15 1HB GLU 15 8.477 -2.912 -2.606 133 1HG GLU 15 2HG GLU 15 8.175 -1.718 -4.717 134 2HG GLU 15 1HG GLU 15 8.715 -0.227 -3.948 135 H THR 16 H THR 16 5.712 -3.672 -1.758 136 HA THR 16 HA THR 16 6.140 -3.549 1.125 137 HB THR 16 HB THR 16 4.028 -2.604 1.164 138 HG1 THR 16 1HG THR 16 3.385 -5.337 1.057 139 1HG2 THR 16 1HG2 THR 16 3.037 -4.438 -0.993 140 2HG2 THR 16 2HG2 THR 16 3.589 -2.789 -1.271 141 3HG2 THR 16 3HG2 THR 16 2.181 -3.087 -0.252 142 H THR 17 H THR 17 5.360 -5.683 2.184 143 HA THR 17 HA THR 17 5.585 -7.941 0.336 144 HB THR 17 HB THR 17 7.295 -8.995 1.823 145 HG1 THR 17 1HG THR 17 6.868 -7.573 3.625 146 1HG2 THR 17 1HG2 THR 17 8.239 -8.139 -0.121 147 2HG2 THR 17 2HG2 THR 17 9.198 -7.427 1.175 148 3HG2 THR 17 3HG2 THR 17 7.959 -6.467 0.368 149 H THR 18 H THR 18 4.050 -9.344 0.750 150 HA THR 18 HA THR 18 2.956 -9.579 3.489 151 HB THR 18 HB THR 18 1.365 -8.925 1.680 152 HG1 THR 18 1HG THR 18 0.706 -10.162 3.528 153 1HG2 THR 18 1HG2 THR 18 0.936 -11.494 0.532 154 2HG2 THR 18 2HG2 THR 18 2.595 -10.983 0.215 155 3HG2 THR 18 3HG2 THR 18 1.248 -9.952 -0.267 156 H GLU 19 H GLU 19 2.827 -11.583 4.462 157 HA GLU 19 HA GLU 19 4.459 -13.702 3.248 158 1HB GLU 19 2HB GLU 19 4.983 -12.882 5.559 159 2HB GLU 19 1HB GLU 19 3.413 -13.473 6.082 160 1HG GLU 19 2HG GLU 19 4.979 -15.107 6.713 161 2HG GLU 19 1HG GLU 19 4.139 -15.754 5.306 162 H ALA 20 H ALA 20 3.271 -15.148 2.049 163 HA ALA 20 HA ALA 20 0.921 -16.321 3.316 164 1HB ALA 20 1HB ALA 20 0.542 -15.697 0.461 165 2HB ALA 20 2HB ALA 20 0.499 -14.322 1.564 166 3HB ALA 20 3HB ALA 20 -0.611 -15.673 1.796 167 H VAL 21 H VAL 21 0.421 -18.364 2.638 168 HA VAL 21 HA VAL 21 2.436 -20.103 1.973 169 HB VAL 21 HB VAL 21 -0.471 -20.553 1.305 170 1HG1 VAL 21 1HG1 VAL 21 0.391 -22.939 2.095 171 2HG1 VAL 21 2HG1 VAL 21 1.917 -22.298 1.486 172 3HG1 VAL 21 3HG1 VAL 21 0.516 -22.399 0.420 173 1HG2 VAL 21 1HG2 VAL 21 -0.373 -21.687 3.632 174 2HG2 VAL 21 2HG2 VAL 21 -0.568 -19.937 3.530 175 3HG2 VAL 21 3HG2 VAL 21 1.012 -20.630 3.899 176 H ASP 22 H ASP 22 0.461 -18.238 -0.207 177 HA ASP 22 HA ASP 22 2.209 -18.923 -2.395 178 1HB ASP 22 2HB ASP 22 0.511 -19.792 -3.911 179 2HB ASP 22 1HB ASP 22 0.639 -20.810 -2.481 180 H ALA 23 H ALA 23 1.234 -17.902 -4.531 181 HA ALA 23 HA ALA 23 1.200 -15.143 -4.133 182 1HB ALA 23 1HB ALA 23 0.322 -16.750 -6.524 183 2HB ALA 23 2HB ALA 23 1.924 -16.073 -6.227 184 3HB ALA 23 3HB ALA 23 0.553 -15.001 -6.522 185 H ALA 24 H ALA 24 -1.479 -17.383 -4.706 186 HA ALA 24 HA ALA 24 -3.502 -15.435 -4.906 187 1HB ALA 24 1HB ALA 24 -3.495 -18.072 -5.287 188 2HB ALA 24 2HB ALA 24 -4.977 -17.176 -4.953 189 3HB ALA 24 3HB ALA 24 -4.161 -18.048 -3.654 190 H THR 25 H THR 25 -2.531 -17.431 -2.102 191 HA THR 25 HA THR 25 -4.156 -16.271 -0.191 192 HB THR 25 HB THR 25 -2.375 -16.942 1.435 193 HG1 THR 25 1HG THR 25 -0.940 -17.243 -0.937 194 1HG2 THR 25 1HG2 THR 25 -2.185 -19.394 0.575 195 2HG2 THR 25 2HG2 THR 25 -3.364 -18.844 -0.617 196 3HG2 THR 25 3HG2 THR 25 -3.736 -18.745 1.105 197 H ALA 26 H ALA 26 -0.944 -15.296 -1.329 198 HA ALA 26 HA ALA 26 -0.603 -13.070 0.350 199 1HB ALA 26 1HB ALA 26 1.363 -13.428 -0.713 200 2HB ALA 26 2HB ALA 26 0.701 -12.300 -1.895 201 3HB ALA 26 3HB ALA 26 0.583 -14.037 -2.173 202 H GLU 27 H GLU 27 -1.839 -13.278 -2.997 203 HA GLU 27 HA GLU 27 -2.557 -10.678 -3.434 204 1HB GLU 27 2HB GLU 27 -2.728 -12.475 -5.106 205 2HB GLU 27 1HB GLU 27 -4.099 -13.150 -4.236 206 1HG GLU 27 2HG GLU 27 -4.889 -11.921 -6.132 207 2HG GLU 27 1HG GLU 27 -5.353 -11.071 -4.659 208 H LYS 28 H LYS 28 -4.476 -13.211 -1.864 209 HA LYS 28 HA LYS 28 -6.724 -11.591 -1.309 210 1HB LYS 28 2HB LYS 28 -5.764 -14.083 0.115 211 2HB LYS 28 1HB LYS 28 -7.369 -13.378 0.259 212 1HG LYS 28 2HG LYS 28 -6.140 -14.602 -2.199 213 2HG LYS 28 1HG LYS 28 -7.475 -15.241 -1.237 214 1HD LYS 28 2HD LYS 28 -8.839 -13.307 -1.845 215 2HD LYS 28 1HD LYS 28 -7.500 -12.655 -2.791 216 1HE LYS 28 2HE LYS 28 -8.928 -15.264 -3.304 217 2HE LYS 28 1HE LYS 28 -9.138 -13.773 -4.220 218 1HZ LYS 28 1HZ LYS 28 -7.644 -15.291 -5.350 219 2HZ LYS 28 2HZ LYS 28 -6.620 -15.335 -4.006 220 3HZ LYS 28 3HZ LYS 28 -6.810 -13.898 -4.876 221 H VAL 29 H VAL 29 -3.948 -12.584 0.676 222 HA VAL 29 HA VAL 29 -4.632 -11.280 3.028 223 HB VAL 29 HB VAL 29 -1.866 -11.710 1.884 224 1HG1 VAL 29 1HG1 VAL 29 -2.820 -10.817 4.576 225 2HG1 VAL 29 2HG1 VAL 29 -1.525 -10.157 3.576 226 3HG1 VAL 29 3HG1 VAL 29 -1.302 -11.699 4.405 227 1HG2 VAL 29 1HG2 VAL 29 -3.701 -13.614 2.580 228 2HG2 VAL 29 2HG2 VAL 29 -2.787 -13.416 4.074 229 3HG2 VAL 29 3HG2 VAL 29 -1.953 -13.840 2.580 230 H VAL 30 H VAL 30 -2.937 -10.077 0.178 231 HA VAL 30 HA VAL 30 -2.377 -7.496 1.221 232 HB VAL 30 HB VAL 30 -2.793 -8.216 -1.686 233 1HG1 VAL 30 1HG1 VAL 30 -1.628 -6.268 -2.220 234 2HG1 VAL 30 2HG1 VAL 30 -0.940 -6.124 -0.604 235 3HG1 VAL 30 3HG1 VAL 30 -2.646 -5.769 -0.869 236 1HG2 VAL 30 1HG2 VAL 30 -0.798 -9.237 -1.777 237 2HG2 VAL 30 2HG2 VAL 30 -0.982 -9.420 -0.034 238 3HG2 VAL 30 3HG2 VAL 30 -0.047 -8.075 -0.684 239 H LYS 31 H LYS 31 -5.009 -8.772 -0.832 240 HA LYS 31 HA LYS 31 -6.457 -6.464 -1.226 241 1HB LYS 31 2HB LYS 31 -7.330 -9.316 -0.874 242 2HB LYS 31 1HB LYS 31 -8.504 -8.035 -1.145 243 1HG LYS 31 2HG LYS 31 -7.448 -7.469 -3.246 244 2HG LYS 31 1HG LYS 31 -6.203 -8.689 -2.972 245 1HD LYS 31 2HD LYS 31 -7.878 -10.446 -3.051 246 2HD LYS 31 1HD LYS 31 -9.157 -9.242 -3.237 247 1HE LYS 31 2HE LYS 31 -6.880 -9.666 -5.169 248 2HE LYS 31 1HE LYS 31 -8.511 -10.305 -5.376 249 1HZ LYS 31 1HZ LYS 31 -7.765 -7.432 -5.230 250 2HZ LYS 31 2HZ LYS 31 -9.343 -8.021 -5.387 251 3HZ LYS 31 3HZ LYS 31 -8.221 -8.272 -6.626 252 H GLN 32 H GLN 32 -6.438 -8.602 1.572 253 HA GLN 32 HA GLN 32 -8.472 -7.268 3.026 254 1HB GLN 32 2HB GLN 32 -7.643 -9.537 3.605 255 2HB GLN 32 1HB GLN 32 -6.107 -8.836 4.086 256 1HG GLN 32 2HG GLN 32 -7.407 -9.285 6.040 257 2HG GLN 32 1HG GLN 32 -7.268 -7.544 5.830 258 1HE2 GLN 32 1HE2 GLN 32 -9.428 -8.840 3.581 259 2HE2 GLN 32 2HE2 GLN 32 -10.892 -8.500 4.427 260 H PHE 33 H PHE 33 -5.020 -6.848 2.698 261 HA PHE 33 HA PHE 33 -4.478 -5.020 4.712 262 1HB PHE 33 2HB PHE 33 -2.846 -6.177 3.142 263 2HB PHE 33 1HB PHE 33 -3.271 -4.970 1.938 264 HD1 PHE 33 1HD PHE 33 -2.065 -5.228 5.446 265 HD2 PHE 33 2HD PHE 33 -1.982 -3.060 1.768 266 HE1 PHE 33 1HE PHE 33 -0.349 -3.718 6.361 267 HE2 PHE 33 2HE PHE 33 -0.263 -1.562 2.696 268 HZ PHE 33 HZ PHE 33 0.549 -1.899 5.001 269 H PHE 34 H PHE 34 -5.187 -4.311 1.311 270 HA PHE 34 HA PHE 34 -5.568 -1.512 1.744 271 1HB PHE 34 2HB PHE 34 -6.359 -3.226 -0.615 272 2HB PHE 34 1HB PHE 34 -6.315 -1.461 -0.594 273 HD1 PHE 34 1HD PHE 34 -3.903 -0.833 0.806 274 HD2 PHE 34 2HD PHE 34 -4.649 -3.951 -1.985 275 HE1 PHE 34 1HE PHE 34 -1.514 -0.897 0.254 276 HE2 PHE 34 2HE PHE 34 -2.257 -4.017 -2.552 277 HZ PHE 34 HZ PHE 34 -0.693 -2.489 -1.413 278 H ASN 35 H ASN 35 -7.732 -4.258 1.384 279 HA ASN 35 HA ASN 35 -10.188 -3.017 1.234 280 1HB ASN 35 2HB ASN 35 -9.857 -5.458 1.149 281 2HB ASN 35 1HB ASN 35 -9.460 -5.463 2.865 282 1HD2 ASN 35 1HD2 ASN 35 -11.734 -6.318 0.860 283 2HD2 ASN 35 2HD2 ASN 35 -13.156 -6.033 1.798 284 H ASP 36 H ASP 36 -8.121 -3.576 3.984 285 HA ASP 36 HA ASP 36 -9.981 -2.249 5.800 286 1HB ASP 36 2HB ASP 36 -7.353 -3.636 6.367 287 2HB ASP 36 1HB ASP 36 -8.431 -2.965 7.588 288 H ASN 37 H ASN 37 -7.045 -1.521 4.062 289 HA ASN 37 HA ASN 37 -6.343 0.678 5.815 290 1HB ASN 37 2HB ASN 37 -5.289 -0.106 3.086 291 2HB ASN 37 1HB ASN 37 -4.686 1.257 4.018 292 1HD2 ASN 37 1HD2 ASN 37 -3.532 -1.390 3.068 293 2HD2 ASN 37 2HD2 ASN 37 -2.801 -2.042 4.492 294 H GLY 38 H GLY 38 -7.671 0.246 2.581 295 1HA GLY 38 2HA GLY 38 -8.091 2.287 1.219 296 2HA GLY 38 1HA GLY 38 -9.548 1.542 1.835 297 H VAL 39 H VAL 39 -10.947 2.865 2.680 298 HA VAL 39 HA VAL 39 -10.040 5.527 3.552 299 HB VAL 39 HB VAL 39 -12.787 4.656 2.719 300 1HG1 VAL 39 1HG1 VAL 39 -12.770 7.287 2.262 301 2HG1 VAL 39 2HG1 VAL 39 -11.608 7.232 3.588 302 3HG1 VAL 39 3HG1 VAL 39 -13.237 6.596 3.816 303 1HG2 VAL 39 1HG2 VAL 39 -12.368 5.550 0.556 304 2HG2 VAL 39 2HG2 VAL 39 -11.041 4.451 0.929 305 3HG2 VAL 39 3HG2 VAL 39 -10.805 6.193 1.057 306 H ASP 40 H ASP 40 -10.828 2.738 5.118 307 HA ASP 40 HA ASP 40 -12.153 4.243 7.268 308 1HB ASP 40 2HB ASP 40 -12.643 1.364 6.479 309 2HB ASP 40 1HB ASP 40 -13.336 2.161 7.888 310 H GLY 41 H GLY 41 -9.277 3.154 6.525 311 1HA GLY 41 2HA GLY 41 -8.716 1.467 8.808 312 2HA GLY 41 1HA GLY 41 -7.554 2.038 7.622 313 H GLU 42 H GLU 42 -6.620 2.046 10.050 314 HA GLU 42 HA GLU 42 -7.062 4.688 11.246 315 1HB GLU 42 2HB GLU 42 -5.495 2.315 12.277 316 2HB GLU 42 1HB GLU 42 -5.761 3.819 13.150 317 1HG GLU 42 2HG GLU 42 -8.161 3.389 13.171 318 2HG GLU 42 1HG GLU 42 -7.901 1.886 12.287 319 H TRP 43 H TRP 43 -5.905 6.154 10.094 320 HA TRP 43 HA TRP 43 -3.198 5.532 9.244 321 1HB TRP 43 2HB TRP 43 -4.898 7.993 8.825 322 2HB TRP 43 1HB TRP 43 -3.314 7.722 8.111 323 HD1 TRP 43 HD TRP 43 -6.525 5.519 8.220 324 HE1 TRP 43 1HE TRP 43 -6.999 4.727 5.820 325 HE3 TRP 43 3HE TRP 43 -2.662 7.848 5.837 326 HZ2 TRP 43 2HZ TRP 43 -5.869 5.058 3.242 327 HZ3 TRP 43 3HZ TRP 43 -2.425 7.565 3.412 328 HH2 TRP 43 HH TRP 43 -3.996 6.197 2.137 329 H THR 44 H THR 44 -1.589 5.810 10.637 330 HA THR 44 HA THR 44 -1.714 8.044 12.544 331 HB THR 44 HB THR 44 0.109 6.833 13.741 332 HG1 THR 44 1HG THR 44 -0.416 4.770 11.871 333 1HG2 THR 44 1HG2 THR 44 -1.195 5.198 14.766 334 2HG2 THR 44 2HG2 THR 44 -2.138 4.904 13.303 335 3HG2 THR 44 3HG2 THR 44 -2.355 6.404 14.207 336 H TYR 45 H TYR 45 -0.275 9.702 12.393 337 HA TYR 45 HA TYR 45 1.741 9.504 10.254 338 1HB TYR 45 2HB TYR 45 -0.075 11.164 9.897 339 2HB TYR 45 1HB TYR 45 0.434 11.997 11.362 340 HD1 TYR 45 1HD TYR 45 2.653 10.516 8.782 341 HD2 TYR 45 2HD TYR 45 1.072 14.083 10.479 342 HE1 TYR 45 1HE TYR 45 4.245 11.845 7.458 343 HE2 TYR 45 2HE TYR 45 2.657 15.421 9.161 344 HH TYR 45 HH TYR 45 4.006 15.259 7.178 345 H ASP 46 H ASP 46 3.822 10.236 10.589 346 HA ASP 46 HA ASP 46 4.533 10.893 13.374 347 1HB ASP 46 2HB ASP 46 5.223 8.598 12.813 348 2HB ASP 46 1HB ASP 46 6.119 9.204 11.423 349 H ASP 47 H ASP 47 4.466 13.126 12.836 350 HA ASP 47 HA ASP 47 5.660 14.435 10.745 351 1HB ASP 47 2HB ASP 47 5.579 15.356 13.627 352 2HB ASP 47 1HB ASP 47 5.840 16.393 12.227 353 H ALA 48 H ALA 48 7.199 13.185 13.652 354 HA ALA 48 HA ALA 48 9.649 14.404 13.591 355 1HB ALA 48 1HB ALA 48 10.282 12.873 15.118 356 2HB ALA 48 2HB ALA 48 9.741 11.511 14.136 357 3HB ALA 48 3HB ALA 48 8.572 12.439 15.075 358 H THR 49 H THR 49 8.511 11.821 11.499 359 HA THR 49 HA THR 49 11.029 12.057 9.989 360 HB THR 49 HB THR 49 10.836 9.660 9.413 361 HG1 THR 49 1HG THR 49 8.531 9.565 9.845 362 1HG2 THR 49 1HG2 THR 49 12.190 10.355 11.375 363 2HG2 THR 49 2HG2 THR 49 11.551 8.715 11.478 364 3HG2 THR 49 3HG2 THR 49 10.794 10.016 12.397 365 H LYS 50 H LYS 50 8.110 13.105 9.787 366 HA LYS 50 HA LYS 50 6.524 13.462 8.165 367 1HB LYS 50 2HB LYS 50 8.998 13.278 6.446 368 2HB LYS 50 1HB LYS 50 7.462 13.973 5.943 369 1HG LYS 50 2HG LYS 50 7.976 15.324 8.262 370 2HG LYS 50 1HG LYS 50 9.590 15.108 7.583 371 1HD LYS 50 2HD LYS 50 7.243 16.199 6.054 372 2HD LYS 50 1HD LYS 50 8.433 17.208 6.878 373 1HE LYS 50 2HE LYS 50 9.051 17.085 4.574 374 2HE LYS 50 1HE LYS 50 10.204 16.121 5.492 375 1HZ LYS 50 1HZ LYS 50 9.228 15.169 3.335 376 2HZ LYS 50 2HZ LYS 50 7.846 14.854 4.255 377 3HZ LYS 50 3HZ LYS 50 9.326 14.156 4.686 378 H THR 51 H THR 51 6.821 10.739 8.927 379 HA THR 51 HA THR 51 6.224 9.353 6.401 380 HB THR 51 HB THR 51 7.340 8.254 8.986 381 HG1 THR 51 1HG THR 51 9.122 7.768 7.542 382 1HG2 THR 51 1HG2 THR 51 7.675 6.379 6.961 383 2HG2 THR 51 2HG2 THR 51 5.987 6.877 6.865 384 3HG2 THR 51 3HG2 THR 51 6.637 6.254 8.380 385 H PHE 52 H PHE 52 4.451 7.988 6.298 386 HA PHE 52 HA PHE 52 2.475 8.361 8.451 387 1HB PHE 52 2HB PHE 52 2.040 7.762 5.518 388 2HB PHE 52 1HB PHE 52 0.764 7.920 6.720 389 HD1 PHE 52 1HD PHE 52 -0.098 10.017 7.292 390 HD2 PHE 52 2HD PHE 52 3.491 9.760 5.024 391 HE1 PHE 52 1HE PHE 52 -0.194 12.439 6.876 392 HE2 PHE 52 2HE PHE 52 3.404 12.183 4.606 393 HZ PHE 52 HZ PHE 52 1.560 13.526 5.534 394 H THR 53 H THR 53 1.839 6.637 9.569 395 HA THR 53 HA THR 53 2.500 3.978 8.508 396 HB THR 53 HB THR 53 2.223 3.332 11.019 397 HG1 THR 53 1HG THR 53 2.949 6.046 11.313 398 1HG2 THR 53 1HG2 THR 53 4.611 4.202 11.481 399 2HG2 THR 53 2HG2 THR 53 4.570 4.693 9.787 400 3HG2 THR 53 3HG2 THR 53 4.347 2.996 10.220 401 H VAL 54 H VAL 54 0.918 2.650 8.023 402 HA VAL 54 HA VAL 54 -1.783 3.233 9.052 403 HB VAL 54 HB VAL 54 -1.067 1.859 6.449 404 1HG1 VAL 54 1HG1 VAL 54 -3.248 1.410 6.134 405 2HG1 VAL 54 2HG1 VAL 54 -3.770 2.930 6.859 406 3HG1 VAL 54 3HG1 VAL 54 -3.353 1.560 7.888 407 1HG2 VAL 54 1HG2 VAL 54 -1.544 4.684 7.156 408 2HG2 VAL 54 2HG2 VAL 54 -2.362 4.097 5.709 409 3HG2 VAL 54 3HG2 VAL 54 -0.607 3.984 5.836 410 H THR 55 H THR 55 -2.393 1.806 10.547 411 HA THR 55 HA THR 55 -1.241 -0.885 10.460 412 HB THR 55 HB THR 55 -2.834 0.319 12.718 413 HG1 THR 55 1HG THR 55 -0.989 1.586 12.350 414 1HG2 THR 55 1HG2 THR 55 -2.615 -2.065 12.905 415 2HG2 THR 55 2HG2 THR 55 -1.550 -1.290 14.078 416 3HG2 THR 55 3HG2 THR 55 -0.880 -1.966 12.591 417 H GLU 56 H GLU 56 -2.387 -2.376 9.442 418 HA GLU 56 HA GLU 56 -4.968 -2.195 8.546 419 1HB GLU 56 2HB GLU 56 -3.313 -3.915 7.865 420 2HB GLU 56 1HB GLU 56 -3.566 -4.737 9.398 421 1HG GLU 56 2HG GLU 56 -5.737 -4.260 7.369 422 2HG GLU 56 1HG GLU 56 -4.774 -5.732 7.461 423 1H MET 1 1HT MET 1 6.060 19.849 -1.589 424 2H MET 1 2HT MET 1 5.052 18.491 -1.651 425 3H MET 1 3HT MET 1 6.083 18.836 -2.946 426 HA MET 1 HA MET 1 7.978 18.207 -1.815 427 1HB MET 1 2HB MET 1 7.324 19.572 0.190 428 2HB MET 1 1HB MET 1 6.332 18.224 0.724 429 1HG MET 1 2HG MET 1 8.232 16.841 1.042 430 2HG MET 1 1HG MET 1 9.288 17.998 0.236 431 1HE MET 1 1HE MET 1 6.436 18.870 2.834 432 2HE MET 1 2HE MET 1 7.329 18.734 4.349 433 3HE MET 1 3HE MET 1 7.048 17.301 3.361 434 H GLN 2 H GLN 2 8.527 16.052 -0.698 435 HA GLN 2 HA GLN 2 6.492 14.077 -1.480 436 1HB GLN 2 2HB GLN 2 8.554 13.950 -2.799 437 2HB GLN 2 1HB GLN 2 9.498 13.780 -1.327 438 1HG GLN 2 2HG GLN 2 8.380 11.659 -0.856 439 2HG GLN 2 1HG GLN 2 7.438 11.831 -2.333 440 1HE2 GLN 2 1HE2 GLN 2 10.400 13.080 -3.039 441 2HE2 GLN 2 2HE2 GLN 2 11.161 11.669 -3.677 442 H TYR 3 H TYR 3 6.124 12.272 -0.146 443 HA TYR 3 HA TYR 3 7.276 12.410 2.552 444 1HB TYR 3 2HB TYR 3 4.339 12.095 1.893 445 2HB TYR 3 1HB TYR 3 5.032 11.889 3.498 446 HD1 TYR 3 1HD TYR 3 4.832 13.667 4.931 447 HD2 TYR 3 2HD TYR 3 5.065 14.441 0.754 448 HE1 TYR 3 1HE TYR 3 4.565 16.070 5.368 449 HE2 TYR 3 2HE TYR 3 4.805 16.850 1.179 450 HH TYR 3 HH TYR 3 4.525 18.436 2.716 451 H LYS 4 H LYS 4 7.314 10.410 3.695 452 HA LYS 4 HA LYS 4 7.213 8.094 1.889 453 1HB LYS 4 2HB LYS 4 9.370 8.532 2.996 454 2HB LYS 4 1HB LYS 4 8.589 8.400 4.566 455 1HG LYS 4 2HG LYS 4 8.076 6.071 4.150 456 2HG LYS 4 1HG LYS 4 8.767 6.188 2.530 457 1HD LYS 4 2HD LYS 4 10.343 5.150 4.073 458 2HD LYS 4 1HD LYS 4 10.956 6.703 3.502 459 1HE LYS 4 2HE LYS 4 10.211 7.760 5.576 460 2HE LYS 4 1HE LYS 4 9.583 6.214 6.144 461 1HZ LYS 4 1HZ LYS 4 12.091 5.542 5.602 462 2HZ LYS 4 2HZ LYS 4 11.598 6.113 7.116 463 3HZ LYS 4 3HZ LYS 4 12.326 7.167 6.011 464 H VAL 5 H VAL 5 5.313 7.083 1.969 465 HA VAL 5 HA VAL 5 3.856 6.962 4.492 466 HB VAL 5 HB VAL 5 3.001 6.120 1.720 467 1HG1 VAL 5 1HG1 VAL 5 1.545 6.184 4.351 468 2HG1 VAL 5 2HG1 VAL 5 1.757 4.822 3.251 469 3HG1 VAL 5 3HG1 VAL 5 0.708 6.165 2.798 470 1HG2 VAL 5 1HG2 VAL 5 2.881 8.664 3.202 471 2HG2 VAL 5 2HG2 VAL 5 1.402 8.186 2.368 472 3HG2 VAL 5 3HG2 VAL 5 2.906 8.361 1.466 473 H ILE 6 H ILE 6 4.314 5.374 5.769 474 HA ILE 6 HA ILE 6 5.234 2.802 4.731 475 HB ILE 6 HB ILE 6 5.179 3.932 7.533 476 1HG1 ILE 6 2HG1 ILE 6 7.459 3.265 5.666 477 2HG1 ILE 6 1HG1 ILE 6 6.876 4.882 6.037 478 1HG2 ILE 6 1HG2 ILE 6 5.793 1.967 8.435 479 2HG2 ILE 6 2HG2 ILE 6 6.713 1.476 7.014 480 3HG2 ILE 6 3HG2 ILE 6 4.961 1.292 7.037 481 1HD1 ILE 6 1HD1 ILE 6 7.450 4.383 8.448 482 2HD1 ILE 6 2HD1 ILE 6 8.807 4.563 7.337 483 3HD1 ILE 6 3HD1 ILE 6 8.292 2.956 7.848 484 H LEU 7 H LEU 7 4.023 1.018 4.739 485 HA LEU 7 HA LEU 7 1.345 1.173 5.962 486 1HB LEU 7 2HB LEU 7 2.155 -0.704 3.754 487 2HB LEU 7 1HB LEU 7 0.538 -0.206 4.223 488 HG LEU 7 HG LEU 7 2.596 1.520 2.857 489 1HD1 LEU 7 1HD1 LEU 7 1.528 -0.231 1.458 490 2HD1 LEU 7 2HD1 LEU 7 1.160 1.414 0.944 491 3HD1 LEU 7 3HD1 LEU 7 -0.041 0.480 1.836 492 1HD2 LEU 7 1HD2 LEU 7 -0.235 2.155 3.684 493 2HD2 LEU 7 2HD2 LEU 7 0.832 3.199 2.747 494 3HD2 LEU 7 3HD2 LEU 7 1.229 2.808 4.419 495 H ASN 8 H ASN 8 1.510 0.198 7.932 496 HA ASN 8 HA ASN 8 2.955 -2.355 8.087 497 1HB ASN 8 2HB ASN 8 2.084 -0.517 10.323 498 2HB ASN 8 1HB ASN 8 3.042 -1.985 10.504 499 1HD2 ASN 8 1HD2 ASN 8 5.109 -1.639 10.746 500 2HD2 ASN 8 2HD2 ASN 8 6.012 -0.317 10.097 501 H GLY 9 H GLY 9 1.634 -4.059 7.796 502 1HA GLY 9 2HA GLY 9 -0.995 -3.986 9.150 503 2HA GLY 9 1HA GLY 9 -0.677 -4.894 7.681 504 H LYS 10 H LYS 10 -1.695 -6.572 9.154 505 HA LYS 10 HA LYS 10 -0.010 -7.638 11.220 506 1HB LYS 10 2HB LYS 10 -2.575 -8.551 9.942 507 2HB LYS 10 1HB LYS 10 -1.701 -9.581 11.068 508 1HG LYS 10 2HG LYS 10 -3.502 -8.333 12.153 509 2HG LYS 10 1HG LYS 10 -1.919 -7.922 12.810 510 1HD LYS 10 2HD LYS 10 -1.876 -5.891 11.457 511 2HD LYS 10 1HD LYS 10 -3.445 -6.310 10.763 512 1HE LYS 10 2HE LYS 10 -3.639 -4.650 12.564 513 2HE LYS 10 1HE LYS 10 -4.483 -6.150 12.949 514 1HZ LYS 10 1HZ LYS 10 -1.736 -5.556 13.889 515 2HZ LYS 10 2HZ LYS 10 -2.767 -6.787 14.419 516 3HZ LYS 10 3HZ LYS 10 -3.119 -5.174 14.788 517 H THR 11 H THR 11 -1.088 -8.836 8.034 518 HA THR 11 HA THR 11 1.165 -10.703 8.015 519 HB THR 11 HB THR 11 -0.174 -11.623 6.013 520 HG1 THR 11 1HG THR 11 -1.533 -9.704 5.952 521 1HG2 THR 11 1HG2 THR 11 -1.160 -13.152 7.330 522 2HG2 THR 11 2HG2 THR 11 -1.908 -11.935 8.363 523 3HG2 THR 11 3HG2 THR 11 -0.213 -12.364 8.592 524 H LEU 12 H LEU 12 0.632 -7.652 7.063 525 HA LEU 12 HA LEU 12 2.403 -7.957 4.757 526 1HB LEU 12 2HB LEU 12 0.143 -7.763 3.876 527 2HB LEU 12 1HB LEU 12 -0.108 -6.291 4.795 528 HG LEU 12 HG LEU 12 1.475 -5.101 3.446 529 1HD1 LEU 12 1HD1 LEU 12 3.226 -6.257 2.711 530 2HD1 LEU 12 2HD1 LEU 12 2.192 -6.771 1.375 531 3HD1 LEU 12 3HD1 LEU 12 2.358 -7.782 2.806 532 1HD2 LEU 12 1HD2 LEU 12 -0.921 -6.108 2.510 533 2HD2 LEU 12 2HD2 LEU 12 0.213 -6.428 1.197 534 3HD2 LEU 12 3HD2 LEU 12 0.005 -4.784 1.803 535 H LYS 13 H LYS 13 3.923 -6.430 4.529 536 HA LYS 13 HA LYS 13 3.789 -3.974 6.095 537 1HB LYS 13 2HB LYS 13 6.205 -5.781 6.265 538 2HB LYS 13 1HB LYS 13 5.935 -4.280 7.138 539 1HG LYS 13 2HG LYS 13 5.471 -5.817 8.764 540 2HG LYS 13 1HG LYS 13 3.862 -5.549 8.091 541 1HD LYS 13 2HD LYS 13 4.213 -7.915 8.390 542 2HD LYS 13 1HD LYS 13 4.172 -7.554 6.666 543 1HE LYS 13 2HE LYS 13 6.607 -7.608 6.581 544 2HE LYS 13 1HE LYS 13 6.669 -7.922 8.314 545 1HZ LYS 13 1HZ LYS 13 6.926 -9.927 6.910 546 2HZ LYS 13 2HZ LYS 13 5.345 -9.710 6.350 547 3HZ LYS 13 3HZ LYS 13 5.624 -10.026 7.988 548 H GLY 14 H GLY 14 5.035 -2.280 5.209 549 1HA GLY 14 2HA GLY 14 7.017 -2.660 3.235 550 2HA GLY 14 1HA GLY 14 5.477 -2.378 2.447 551 H GLU 15 H GLU 15 6.869 -0.568 1.620 552 HA GLU 15 HA GLU 15 6.262 1.825 3.174 553 1HB GLU 15 2HB GLU 15 9.017 1.256 2.057 554 2HB GLU 15 1HB GLU 15 8.507 2.757 2.816 555 1HG GLU 15 2HG GLU 15 8.146 1.572 4.922 556 2HG GLU 15 1HG GLU 15 8.661 0.068 4.161 557 H THR 16 H THR 16 5.774 3.585 1.929 558 HA THR 16 HA THR 16 6.239 3.451 -0.948 559 HB THR 16 HB THR 16 4.106 2.559 -1.016 560 HG1 THR 16 1HG THR 16 3.527 5.305 -0.918 561 1HG2 THR 16 1HG2 THR 16 3.129 4.415 1.126 562 2HG2 THR 16 2HG2 THR 16 3.637 2.753 1.410 563 3HG2 THR 16 3HG2 THR 16 2.252 3.087 0.373 564 H THR 17 H THR 17 5.526 5.603 -2.018 565 HA THR 17 HA THR 17 5.781 7.856 -0.167 566 HB THR 17 HB THR 17 7.537 8.868 -1.629 567 HG1 THR 17 1HG THR 17 7.101 7.457 -3.437 568 1HG2 THR 17 1HG2 THR 17 8.431 7.989 0.329 569 2HG2 THR 17 2HG2 THR 17 9.391 7.255 -0.954 570 3HG2 THR 17 3HG2 THR 17 8.118 6.326 -0.165 571 H THR 18 H THR 18 4.286 9.294 -0.602 572 HA THR 18 HA THR 18 3.237 9.556 -3.356 573 HB THR 18 HB THR 18 1.604 8.942 -1.569 574 HG1 THR 18 1HG THR 18 1.002 10.194 -3.426 575 1HG2 THR 18 1HG2 THR 18 1.223 11.521 -0.426 576 2HG2 THR 18 2HG2 THR 18 2.863 10.969 -0.086 577 3HG2 THR 18 3HG2 THR 18 1.485 9.972 0.376 578 H GLU 19 H GLU 19 3.170 11.564 -4.330 579 HA GLU 19 HA GLU 19 4.837 13.642 -3.094 580 1HB GLU 19 2HB GLU 19 5.373 12.808 -5.395 581 2HB GLU 19 1HB GLU 19 3.824 13.437 -5.941 582 1HG GLU 19 2HG GLU 19 5.439 15.032 -6.550 583 2HG GLU 19 1HG GLU 19 4.595 15.700 -5.154 584 H ALA 20 H ALA 20 3.667 15.116 -1.910 585 HA ALA 20 HA ALA 20 1.365 16.345 -3.210 586 1HB ALA 20 1HB ALA 20 0.930 15.733 -0.362 587 2HB ALA 20 2HB ALA 20 0.869 14.359 -1.466 588 3HB ALA 20 3HB ALA 20 -0.205 15.735 -1.712 589 H VAL 21 H VAL 21 0.904 18.400 -2.539 590 HA VAL 21 HA VAL 21 2.953 20.090 -1.846 591 HB VAL 21 HB VAL 21 0.047 20.611 -1.217 592 1HG1 VAL 21 1HG1 VAL 21 0.977 22.974 -1.996 593 2HG1 VAL 21 2HG1 VAL 21 2.479 22.298 -1.365 594 3HG1 VAL 21 3HG1 VAL 21 1.065 22.433 -0.319 595 1HG2 VAL 21 1HG2 VAL 21 0.205 21.742 -3.545 596 2HG2 VAL 21 2HG2 VAL 21 -0.034 19.997 -3.445 597 3HG2 VAL 21 3HG2 VAL 21 1.568 20.650 -3.791 598 H ASP 22 H ASP 22 0.901 18.274 0.306 599 HA ASP 22 HA ASP 22 2.634 18.917 2.518 600 1HB ASP 22 2HB ASP 22 0.936 19.827 4.010 601 2HB ASP 22 1HB ASP 22 1.109 20.842 2.583 602 H ALA 23 H ALA 23 1.605 17.920 4.640 603 HA ALA 23 HA ALA 23 1.509 15.163 4.242 604 1HB ALA 23 1HB ALA 23 0.636 16.790 6.621 605 2HB ALA 23 2HB ALA 23 2.225 16.075 6.345 606 3HB ALA 23 3HB ALA 23 0.826 15.037 6.622 607 H ALA 24 H ALA 24 -1.123 17.467 4.778 608 HA ALA 24 HA ALA 24 -3.195 15.570 4.948 609 1HB ALA 24 1HB ALA 24 -3.129 18.205 5.329 610 2HB ALA 24 2HB ALA 24 -4.627 17.346 4.973 611 3HB ALA 24 3HB ALA 24 -3.772 18.197 3.688 612 H THR 25 H THR 25 -2.135 17.541 2.158 613 HA THR 25 HA THR 25 -3.762 16.420 0.224 614 HB THR 25 HB THR 25 -1.942 17.046 -1.376 615 HG1 THR 25 1HG THR 25 -0.534 17.313 1.016 616 1HG2 THR 25 1HG2 THR 25 -1.705 19.493 -0.513 617 2HG2 THR 25 2HG2 THR 25 -2.913 18.974 0.661 618 3HG2 THR 25 3HG2 THR 25 -3.264 18.882 -1.065 619 H ALA 26 H ALA 26 -0.590 15.366 1.408 620 HA ALA 26 HA ALA 26 -0.279 13.135 -0.266 621 1HB ALA 26 1HB ALA 26 1.679 13.443 0.824 622 2HB ALA 26 2HB ALA 26 0.973 12.333 1.998 623 3HB ALA 26 3HB ALA 26 0.893 14.072 2.272 624 H GLU 27 H GLU 27 -1.559 13.373 3.062 625 HA GLU 27 HA GLU 27 -2.345 10.792 3.488 626 1HB GLU 27 2HB GLU 27 -2.496 12.592 5.157 627 2HB GLU 27 1HB GLU 27 -3.837 13.298 4.269 628 1HG GLU 27 2HG GLU 27 -4.684 12.090 6.154 629 2HG GLU 27 1HG GLU 27 -5.147 11.253 4.675 630 H LYS 28 H LYS 28 -4.181 13.369 1.893 631 HA LYS 28 HA LYS 28 -6.459 11.805 1.304 632 1HB LYS 28 2HB LYS 28 -5.417 14.272 -0.105 633 2HB LYS 28 1HB LYS 28 -7.037 13.606 -0.272 634 1HG LYS 28 2HG LYS 28 -5.813 14.800 2.203 635 2HG LYS 28 1HG LYS 28 -7.119 15.470 1.223 636 1HD LYS 28 2HD LYS 28 -8.538 13.572 1.812 637 2HD LYS 28 1HD LYS 28 -7.228 12.886 2.775 638 1HE LYS 28 2HE LYS 28 -8.599 15.530 3.269 639 2HE LYS 28 1HE LYS 28 -8.860 14.045 4.184 640 1HZ LYS 28 1HZ LYS 28 -7.346 15.526 5.334 641 2HZ LYS 28 2HZ LYS 28 -6.301 15.544 4.003 642 3HZ LYS 28 3HZ LYS 28 -6.539 14.112 4.870 643 H VAL 29 H VAL 29 -3.632 12.729 -0.640 644 HA VAL 29 HA VAL 29 -4.314 11.441 -3.002 645 HB VAL 29 HB VAL 29 -1.555 11.804 -1.818 646 1HG1 VAL 29 1HG1 VAL 29 -2.493 10.934 -4.524 647 2HG1 VAL 29 2HG1 VAL 29 -1.228 10.244 -3.506 648 3HG1 VAL 29 3HG1 VAL 29 -0.956 11.778 -4.331 649 1HG2 VAL 29 1HG2 VAL 29 -3.332 13.752 -2.540 650 2HG2 VAL 29 2HG2 VAL 29 -2.402 13.532 -4.022 651 3HG2 VAL 29 3HG2 VAL 29 -1.579 13.935 -2.515 652 H VAL 30 H VAL 30 -2.689 10.198 -0.127 653 HA VAL 30 HA VAL 30 -2.177 7.606 -1.163 654 HB VAL 30 HB VAL 30 -2.616 8.333 1.737 655 1HG1 VAL 30 1HG1 VAL 30 -1.508 6.359 2.287 656 2HG1 VAL 30 2HG1 VAL 30 -0.800 6.199 0.680 657 3HG1 VAL 30 3HG1 VAL 30 -2.517 5.885 0.921 658 1HG2 VAL 30 1HG2 VAL 30 -0.598 9.307 1.858 659 2HG2 VAL 30 2HG2 VAL 30 -0.754 9.494 0.111 660 3HG2 VAL 30 3HG2 VAL 30 0.140 8.127 0.775 661 H LYS 31 H LYS 31 -4.806 8.944 0.852 662 HA LYS 31 HA LYS 31 -6.314 6.672 1.225 663 1HB LYS 31 2HB LYS 31 -7.112 9.544 0.862 664 2HB LYS 31 1HB LYS 31 -8.321 8.293 1.116 665 1HG LYS 31 2HG LYS 31 -7.309 7.701 3.231 666 2HG LYS 31 1HG LYS 31 -6.032 8.889 2.976 667 1HD LYS 31 2HD LYS 31 -7.666 10.688 3.031 668 2HD LYS 31 1HD LYS 31 -8.975 9.515 3.199 669 1HE LYS 31 2HE LYS 31 -6.716 9.884 5.161 670 2HE LYS 31 1HE LYS 31 -8.334 10.562 5.346 671 1HZ LYS 31 1HZ LYS 31 -7.655 7.673 5.211 672 2HZ LYS 31 2HZ LYS 31 -9.220 8.300 5.345 673 3HZ LYS 31 3HZ LYS 31 -8.110 8.525 6.601 674 H GLN 32 H GLN 32 -6.204 8.809 -1.573 675 HA GLN 32 HA GLN 32 -8.250 7.524 -3.055 676 1HB GLN 32 2HB GLN 32 -7.358 9.771 -3.621 677 2HB GLN 32 1HB GLN 32 -5.831 9.033 -4.082 678 1HG GLN 32 2HG GLN 32 -7.094 9.515 -6.053 679 2HG GLN 32 1HG GLN 32 -7.000 7.770 -5.841 680 1HE2 GLN 32 1HE2 GLN 32 -9.160 9.119 -3.624 681 2HE2 GLN 32 2HE2 GLN 32 -10.619 8.814 -4.489 682 H PHE 33 H PHE 33 -4.813 7.021 -2.679 683 HA PHE 33 HA PHE 33 -4.288 5.180 -4.686 684 1HB PHE 33 2HB PHE 33 -2.651 6.297 -3.092 685 2HB PHE 33 1HB PHE 33 -3.122 5.100 -1.893 686 HD1 PHE 33 1HD PHE 33 -1.860 5.327 -5.384 687 HD2 PHE 33 2HD PHE 33 -1.882 3.160 -1.707 688 HE1 PHE 33 1HE PHE 33 -0.169 3.777 -6.275 689 HE2 PHE 33 2HE PHE 33 -0.187 1.619 -2.610 690 HZ PHE 33 HZ PHE 33 0.666 1.936 -4.903 691 H PHE 34 H PHE 34 -5.063 4.488 -1.294 692 HA PHE 34 HA PHE 34 -5.505 1.699 -1.732 693 1HB PHE 34 2HB PHE 34 -6.287 3.433 0.615 694 2HB PHE 34 1HB PHE 34 -6.287 1.668 0.595 695 HD1 PHE 34 1HD PHE 34 -3.870 0.980 -0.773 696 HD2 PHE 34 2HD PHE 34 -4.578 4.116 2.011 697 HE1 PHE 34 1HE PHE 34 -1.487 0.986 -0.186 698 HE2 PHE 34 2HE PHE 34 -2.194 4.124 2.610 699 HZ PHE 34 HZ PHE 34 -0.651 2.558 1.493 700 H ASN 35 H ASN 35 -7.607 4.498 -1.403 701 HA ASN 35 HA ASN 35 -10.093 3.315 -1.288 702 1HB ASN 35 2HB ASN 35 -9.703 5.749 -1.197 703 2HB ASN 35 1HB ASN 35 -9.283 5.744 -2.907 704 1HD2 ASN 35 1HD2 ASN 35 -11.564 6.654 -0.935 705 2HD2 ASN 35 2HD2 ASN 35 -12.979 6.404 -1.893 706 H ASP 36 H ASP 36 -7.976 3.823 -4.008 707 HA ASP 36 HA ASP 36 -9.842 2.542 -5.851 708 1HB ASP 36 2HB ASP 36 -7.172 3.865 -6.379 709 2HB ASP 36 1HB ASP 36 -8.248 3.220 -7.616 710 H ASN 37 H ASN 37 -6.949 1.745 -4.072 711 HA ASN 37 HA ASN 37 -6.275 -0.473 -5.815 712 1HB ASN 37 2HB ASN 37 -5.242 0.286 -3.071 713 2HB ASN 37 1HB ASN 37 -4.658 -1.092 -3.995 714 1HD2 ASN 37 1HD2 ASN 37 -3.456 1.527 -3.027 715 2HD2 ASN 37 2HD2 ASN 37 -2.686 2.161 -4.440 716 H GLY 38 H GLY 38 -7.636 -0.007 -2.600 717 1HA GLY 38 2HA GLY 38 -8.125 -2.037 -1.243 718 2HA GLY 38 1HA GLY 38 -9.556 -1.256 -1.880 719 H VAL 39 H VAL 39 -10.975 -2.545 -2.746 720 HA VAL 39 HA VAL 39 -10.121 -5.228 -3.604 721 HB VAL 39 HB VAL 39 -12.856 -4.291 -2.812 722 1HG1 VAL 39 1HG1 VAL 39 -12.910 -6.922 -2.354 723 2HG1 VAL 39 2HG1 VAL 39 -11.728 -6.894 -3.663 724 3HG1 VAL 39 3HG1 VAL 39 -13.338 -6.219 -3.914 725 1HG2 VAL 39 1HG2 VAL 39 -12.491 -5.196 -0.642 726 2HG2 VAL 39 2HG2 VAL 39 -11.132 -4.129 -0.996 727 3HG2 VAL 39 3HG2 VAL 39 -10.936 -5.877 -1.120 728 H ASP 40 H ASP 40 -10.817 -2.424 -5.181 729 HA ASP 40 HA ASP 40 -12.148 -3.894 -7.351 730 1HB ASP 40 2HB ASP 40 -12.581 -1.005 -6.567 731 2HB ASP 40 1HB ASP 40 -13.272 -1.785 -7.988 732 H GLY 41 H GLY 41 -9.256 -2.875 -6.567 733 1HA GLY 41 2HA GLY 41 -8.625 -1.203 -8.841 734 2HA GLY 41 1HA GLY 41 -7.493 -1.804 -7.640 735 H GLU 42 H GLU 42 -6.524 -1.835 -10.054 736 HA GLU 42 HA GLU 42 -7.015 -4.465 -11.256 737 1HB GLU 42 2HB GLU 42 -5.375 -2.131 -12.266 738 2HB GLU 42 1HB GLU 42 -5.667 -3.627 -13.140 739 1HG GLU 42 2HG GLU 42 -8.054 -3.140 -13.196 740 2HG GLU 42 1HG GLU 42 -7.770 -1.644 -12.308 741 H TRP 43 H TRP 43 -5.910 -5.958 -10.090 742 HA TRP 43 HA TRP 43 -3.201 -5.402 -9.201 743 1HB TRP 43 2HB TRP 43 -4.966 -7.820 -8.805 744 2HB TRP 43 1HB TRP 43 -3.385 -7.589 -8.069 745 HD1 TRP 43 HD TRP 43 -6.541 -5.307 -8.222 746 HE1 TRP 43 1HE TRP 43 -7.028 -4.503 -5.829 747 HE3 TRP 43 3HE TRP 43 -2.769 -7.728 -5.786 748 HZ2 TRP 43 2HZ TRP 43 -5.944 -4.862 -3.236 749 HZ3 TRP 43 3HZ TRP 43 -2.560 -7.452 -3.358 750 HH2 TRP 43 HH TRP 43 -4.115 -6.045 -2.105 751 H THR 44 H THR 44 -1.579 -5.718 -10.570 752 HA THR 44 HA THR 44 -1.731 -7.949 -12.479 753 HB THR 44 HB THR 44 0.137 -6.782 -13.648 754 HG1 THR 44 1HG THR 44 -0.366 -4.708 -11.787 755 1HG2 THR 44 1HG2 THR 44 -1.114 -5.117 -14.691 756 2HG2 THR 44 2HG2 THR 44 -2.070 -4.801 -13.244 757 3HG2 THR 44 3HG2 THR 44 -2.309 -6.296 -14.150 758 H TYR 45 H TYR 45 -0.336 -9.643 -12.307 759 HA TYR 45 HA TYR 45 1.655 -9.494 -10.141 760 1HB TYR 45 2HB TYR 45 -0.206 -11.108 -9.810 761 2HB TYR 45 1HB TYR 45 0.303 -11.953 -11.266 762 HD1 TYR 45 1HD TYR 45 2.521 -10.528 -8.655 763 HD2 TYR 45 2HD TYR 45 0.877 -14.053 -10.375 764 HE1 TYR 45 1HE TYR 45 4.062 -11.893 -7.310 765 HE2 TYR 45 2HE TYR 45 2.411 -15.431 -9.035 766 HH TYR 45 HH TYR 45 3.736 -15.301 -7.035 767 H ASP 46 H ASP 46 3.723 -10.276 -10.447 768 HA ASP 46 HA ASP 46 4.457 -10.950 -13.220 769 1HB ASP 46 2HB ASP 46 5.191 -8.673 -12.650 770 2HB ASP 46 1HB ASP 46 6.054 -9.299 -11.249 771 H ASP 47 H ASP 47 4.326 -13.182 -12.684 772 HA ASP 47 HA ASP 47 5.461 -14.518 -10.576 773 1HB ASP 47 2HB ASP 47 5.397 -15.435 -13.457 774 2HB ASP 47 1HB ASP 47 5.612 -16.480 -12.057 775 H ALA 48 H ALA 48 7.068 -13.307 -13.462 776 HA ALA 48 HA ALA 48 9.487 -14.584 -13.367 777 1HB ALA 48 1HB ALA 48 10.179 -13.068 -14.884 778 2HB ALA 48 2HB ALA 48 9.657 -11.694 -13.910 779 3HB ALA 48 3HB ALA 48 8.479 -12.594 -14.865 780 H THR 49 H THR 49 8.384 -11.972 -11.290 781 HA THR 49 HA THR 49 10.873 -12.270 -9.745 782 HB THR 49 HB THR 49 10.731 -9.869 -9.171 783 HG1 THR 49 1HG THR 49 8.434 -9.719 -9.634 784 1HG2 THR 49 1HG2 THR 49 12.094 -10.597 -11.114 785 2HG2 THR 49 2HG2 THR 49 11.497 -8.941 -11.225 786 3HG2 THR 49 3HG2 THR 49 10.721 -10.224 -12.154 787 H LYS 50 H LYS 50 7.927 -13.247 -9.584 788 HA LYS 50 HA LYS 50 6.310 -13.564 -7.984 789 1HB LYS 50 2HB LYS 50 8.764 -13.441 -6.231 790 2HB LYS 50 1HB LYS 50 7.203 -14.099 -5.750 791 1HG LYS 50 2HG LYS 50 7.716 -15.463 -8.061 792 2HG LYS 50 1HG LYS 50 9.325 -15.284 -7.359 793 1HD LYS 50 2HD LYS 50 6.933 -16.319 -5.863 794 2HD LYS 50 1HD LYS 50 8.108 -17.356 -6.671 795 1HE LYS 50 2HE LYS 50 8.697 -17.250 -4.358 796 2HE LYS 50 1HE LYS 50 9.886 -16.313 -5.261 797 1HZ LYS 50 1HZ LYS 50 8.903 -15.336 -3.116 798 2HZ LYS 50 2HZ LYS 50 7.542 -14.988 -4.056 799 3HZ LYS 50 3HZ LYS 50 9.044 -14.326 -4.467 800 H THR 51 H THR 51 6.682 -10.850 -8.742 801 HA THR 51 HA THR 51 6.084 -9.450 -6.225 802 HB THR 51 HB THR 51 7.262 -8.381 -8.794 803 HG1 THR 51 1HG THR 51 9.036 -7.937 -7.325 804 1HG2 THR 51 1HG2 THR 51 7.616 -6.512 -6.764 805 2HG2 THR 51 2HG2 THR 51 5.915 -6.970 -6.691 806 3HG2 THR 51 3HG2 THR 51 6.601 -6.363 -8.197 807 H PHE 52 H PHE 52 4.344 -8.043 -6.147 808 HA PHE 52 HA PHE 52 2.391 -8.367 -8.327 809 1HB PHE 52 2HB PHE 52 1.928 -7.758 -5.401 810 2HB PHE 52 1HB PHE 52 0.666 -7.885 -6.621 811 HD1 PHE 52 1HD PHE 52 -0.239 -9.959 -7.205 812 HD2 PHE 52 2HD PHE 52 3.324 -9.790 -4.886 813 HE1 PHE 52 1HE PHE 52 -0.399 -12.379 -6.791 814 HE2 PHE 52 2HE PHE 52 3.172 -12.210 -4.470 815 HZ PHE 52 HZ PHE 52 1.308 -13.509 -5.423 816 H THR 53 H THR 53 1.811 -6.628 -9.453 817 HA THR 53 HA THR 53 2.522 -3.986 -8.383 818 HB THR 53 HB THR 53 2.296 -3.334 -10.897 819 HG1 THR 53 1HG THR 53 2.960 -6.065 -11.181 820 1HG2 THR 53 1HG2 THR 53 4.670 -4.261 -11.326 821 2HG2 THR 53 2HG2 THR 53 4.591 -4.751 -9.632 822 3HG2 THR 53 3HG2 THR 53 4.414 -3.049 -10.068 823 H VAL 54 H VAL 54 0.966 -2.620 -7.920 824 HA VAL 54 HA VAL 54 -1.733 -3.137 -8.988 825 HB VAL 54 HB VAL 54 -1.020 -1.782 -6.374 826 1HG1 VAL 54 1HG1 VAL 54 -3.194 -1.279 -6.090 827 2HG1 VAL 54 2HG1 VAL 54 -3.743 -2.786 -6.823 828 3HG1 VAL 54 3HG1 VAL 54 -3.279 -1.426 -7.846 829 1HG2 VAL 54 1HG2 VAL 54 -1.555 -4.593 -7.089 830 2HG2 VAL 54 2HG2 VAL 54 -2.380 -3.986 -5.652 831 3HG2 VAL 54 3HG2 VAL 54 -0.621 -3.916 -5.755 832 H THR 55 H THR 55 -2.286 -1.697 -10.491 833 HA THR 55 HA THR 55 -1.071 0.966 -10.386 834 HB THR 55 HB THR 55 -2.660 -0.199 -12.669 835 HG1 THR 55 1HG THR 55 -0.852 -1.511 -12.275 836 1HG2 THR 55 1HG2 THR 55 -2.381 2.180 -12.851 837 2HG2 THR 55 2HG2 THR 55 -1.319 1.377 -14.009 838 3HG2 THR 55 3HG2 THR 55 -0.654 2.037 -12.512 839 H GLU 56 H GLU 56 -2.195 2.485 -9.385 840 HA GLU 56 HA GLU 56 -4.791 2.366 -8.525 841 1HB GLU 56 2HB GLU 56 -3.106 4.045 -7.821 842 2HB GLU 56 1HB GLU 56 -3.318 4.872 -9.357 843 1HG GLU 56 2HG GLU 56 -5.527 4.448 -7.359 844 2HG GLU 56 1HG GLU 56 -4.527 5.897 -7.437 Start of MODEL 10 1 1H MET 1 1HT MET 1 6.602 -18.486 3.425 2 2H MET 1 2HT MET 1 6.023 -19.692 2.391 3 3H MET 1 3HT MET 1 5.109 -18.294 2.652 4 HA MET 1 HA MET 1 7.817 -18.171 1.489 5 1HB MET 1 2HB MET 1 6.220 -19.728 0.245 6 2HB MET 1 1HB MET 1 5.249 -18.304 -0.091 7 1HG MET 1 2HG MET 1 6.984 -17.320 -1.383 8 2HG MET 1 1HG MET 1 8.143 -18.544 -0.864 9 1HE MET 1 1HE MET 1 8.375 -18.016 -3.467 10 2HE MET 1 2HE MET 1 7.688 -19.116 -4.663 11 3HE MET 1 3HE MET 1 8.828 -19.719 -3.460 12 H GLN 2 H GLN 2 8.304 -16.125 0.688 13 HA GLN 2 HA GLN 2 6.422 -14.016 1.496 14 1HB GLN 2 2HB GLN 2 8.590 -13.940 2.622 15 2HB GLN 2 1HB GLN 2 9.412 -13.887 1.069 16 1HG GLN 2 2HG GLN 2 8.368 -11.730 0.591 17 2HG GLN 2 1HG GLN 2 7.554 -11.782 2.154 18 1HE2 GLN 2 1HE2 GLN 2 8.485 -10.568 3.621 19 2HE2 GLN 2 2HE2 GLN 2 10.176 -10.244 3.762 20 H TYR 3 H TYR 3 5.804 -12.420 0.096 21 HA TYR 3 HA TYR 3 6.792 -12.621 -2.671 22 1HB TYR 3 2HB TYR 3 3.926 -12.229 -1.785 23 2HB TYR 3 1HB TYR 3 4.489 -12.104 -3.448 24 HD1 TYR 3 1HD TYR 3 4.604 -14.009 -4.803 25 HD2 TYR 3 2HD TYR 3 4.253 -14.469 -0.587 26 HE1 TYR 3 1HE TYR 3 4.261 -16.427 -5.098 27 HE2 TYR 3 2HE TYR 3 3.912 -16.888 -0.872 28 HH TYR 3 HH TYR 3 4.486 -18.488 -3.828 29 H LYS 4 H LYS 4 6.872 -10.691 -3.850 30 HA LYS 4 HA LYS 4 6.971 -8.298 -2.175 31 1HB LYS 4 2HB LYS 4 8.945 -8.824 -3.545 32 2HB LYS 4 1HB LYS 4 7.958 -8.774 -4.993 33 1HG LYS 4 2HG LYS 4 9.246 -6.731 -4.734 34 2HG LYS 4 1HG LYS 4 7.515 -6.414 -4.647 35 1HD LYS 4 2HD LYS 4 8.511 -5.120 -2.941 36 2HD LYS 4 1HD LYS 4 7.750 -6.490 -2.135 37 1HE LYS 4 2HE LYS 4 10.673 -6.349 -2.863 38 2HE LYS 4 1HE LYS 4 10.025 -5.926 -1.282 39 1HZ LYS 4 1HZ LYS 4 10.425 -8.060 -0.820 40 2HZ LYS 4 2HZ LYS 4 10.498 -8.522 -2.444 41 3HZ LYS 4 3HZ LYS 4 8.999 -8.378 -1.674 42 H VAL 5 H VAL 5 5.629 -6.590 -2.433 43 HA VAL 5 HA VAL 5 3.670 -6.740 -4.626 44 HB VAL 5 HB VAL 5 3.160 -5.710 -1.832 45 1HG1 VAL 5 1HG1 VAL 5 1.014 -6.311 -3.809 46 2HG1 VAL 5 2HG1 VAL 5 1.897 -4.791 -3.944 47 3HG1 VAL 5 3HG1 VAL 5 1.020 -5.172 -2.462 48 1HG2 VAL 5 1HG2 VAL 5 3.410 -8.306 -2.458 49 2HG2 VAL 5 2HG2 VAL 5 1.712 -8.063 -2.867 50 3HG2 VAL 5 3HG2 VAL 5 2.285 -7.707 -1.239 51 H ILE 6 H ILE 6 3.894 -5.128 -5.994 52 HA ILE 6 HA ILE 6 5.136 -2.626 -5.123 53 HB ILE 6 HB ILE 6 4.636 -3.785 -7.864 54 1HG1 ILE 6 2HG1 ILE 6 7.189 -3.171 -6.365 55 2HG1 ILE 6 1HG1 ILE 6 6.502 -4.774 -6.602 56 1HG2 ILE 6 1HG2 ILE 6 6.239 -1.709 -8.380 57 2HG2 ILE 6 2HG2 ILE 6 5.318 -1.039 -7.033 58 3HG2 ILE 6 3HG2 ILE 6 4.480 -1.618 -8.472 59 1HD1 ILE 6 1HD1 ILE 6 6.954 -4.731 -8.910 60 2HD1 ILE 6 2HD1 ILE 6 8.408 -4.124 -8.118 61 3HD1 ILE 6 3HD1 ILE 6 7.289 -3.000 -8.890 62 H LEU 7 H LEU 7 3.855 -0.972 -4.632 63 HA LEU 7 HA LEU 7 1.123 -0.919 -5.703 64 1HB LEU 7 2HB LEU 7 2.164 0.879 -3.534 65 2HB LEU 7 1HB LEU 7 0.513 0.373 -3.840 66 HG LEU 7 HG LEU 7 2.728 -1.303 -2.679 67 1HD1 LEU 7 1HD1 LEU 7 0.178 -0.157 -1.571 68 2HD1 LEU 7 2HD1 LEU 7 1.831 0.156 -1.042 69 3HD1 LEU 7 3HD1 LEU 7 1.102 -1.425 -0.769 70 1HD2 LEU 7 1HD2 LEU 7 1.014 -3.068 -2.487 71 2HD2 LEU 7 2HD2 LEU 7 1.419 -2.685 -4.160 72 3HD2 LEU 7 3HD2 LEU 7 -0.080 -2.080 -3.455 73 H ASN 8 H ASN 8 1.585 -0.099 -7.759 74 HA ASN 8 HA ASN 8 2.902 2.498 -7.947 75 1HB ASN 8 2HB ASN 8 2.031 0.500 -10.029 76 2HB ASN 8 1HB ASN 8 2.638 2.097 -10.444 77 1HD2 ASN 8 1HD2 ASN 8 4.270 1.305 -7.734 78 2HD2 ASN 8 2HD2 ASN 8 5.658 0.563 -8.433 79 H GLY 9 H GLY 9 1.572 4.174 -7.498 80 1HA GLY 9 2HA GLY 9 -1.110 4.146 -8.733 81 2HA GLY 9 1HA GLY 9 -0.687 5.056 -7.292 82 H LYS 10 H LYS 10 -1.800 6.724 -8.708 83 HA LYS 10 HA LYS 10 -0.355 7.772 -10.937 84 1HB LYS 10 2HB LYS 10 -2.545 9.016 -9.268 85 2HB LYS 10 1HB LYS 10 -1.947 9.656 -10.792 86 1HG LYS 10 2HG LYS 10 -2.700 7.632 -11.938 87 2HG LYS 10 1HG LYS 10 -3.304 6.995 -10.408 88 1HD LYS 10 2HD LYS 10 -4.851 8.884 -10.232 89 2HD LYS 10 1HD LYS 10 -4.240 9.527 -11.758 90 1HE LYS 10 2HE LYS 10 -5.624 6.873 -11.382 91 2HE LYS 10 1HE LYS 10 -6.347 8.325 -12.073 92 1HZ LYS 10 1HZ LYS 10 -5.617 6.789 -13.789 93 2HZ LYS 10 2HZ LYS 10 -4.031 6.849 -13.206 94 3HZ LYS 10 3HZ LYS 10 -4.740 8.233 -13.870 95 H THR 11 H THR 11 -0.920 9.036 -7.635 96 HA THR 11 HA THR 11 1.472 10.708 -7.953 97 HB THR 11 HB THR 11 0.348 11.928 -5.957 98 HG1 THR 11 1HG THR 11 -1.922 11.693 -5.977 99 1HG2 THR 11 1HG2 THR 11 -0.396 13.490 -7.371 100 2HG2 THR 11 2HG2 THR 11 -1.427 12.350 -8.238 101 3HG2 THR 11 3HG2 THR 11 0.294 12.446 -8.614 102 H LEU 12 H LEU 12 0.894 7.821 -6.862 103 HA LEU 12 HA LEU 12 2.631 8.148 -4.534 104 1HB LEU 12 2HB LEU 12 0.380 7.994 -3.664 105 2HB LEU 12 1HB LEU 12 0.076 6.556 -4.613 106 HG LEU 12 HG LEU 12 1.562 5.261 -3.263 107 1HD1 LEU 12 1HD1 LEU 12 2.606 7.872 -2.585 108 2HD1 LEU 12 2HD1 LEU 12 3.374 6.294 -2.490 109 3HD1 LEU 12 3HD1 LEU 12 2.358 6.863 -1.163 110 1HD2 LEU 12 1HD2 LEU 12 0.375 6.606 -0.994 111 2HD2 LEU 12 2HD2 LEU 12 0.047 5.006 -1.658 112 3HD2 LEU 12 3HD2 LEU 12 -0.771 6.420 -2.322 113 H LYS 13 H LYS 13 4.150 6.604 -4.289 114 HA LYS 13 HA LYS 13 4.020 4.176 -5.925 115 1HB LYS 13 2HB LYS 13 6.376 6.076 -5.910 116 2HB LYS 13 1HB LYS 13 6.342 4.503 -6.694 117 1HG LYS 13 2HG LYS 13 4.560 6.824 -7.398 118 2HG LYS 13 1HG LYS 13 6.027 6.365 -8.263 119 1HD LYS 13 2HD LYS 13 5.035 4.185 -8.780 120 2HD LYS 13 1HD LYS 13 3.568 4.648 -7.916 121 1HE LYS 13 2HE LYS 13 3.274 4.936 -10.312 122 2HE LYS 13 1HE LYS 13 3.231 6.495 -9.488 123 1HZ LYS 13 1HZ LYS 13 5.537 6.850 -10.137 124 2HZ LYS 13 2HZ LYS 13 4.558 6.612 -11.493 125 3HZ LYS 13 3HZ LYS 13 5.560 5.365 -10.945 126 H GLY 14 H GLY 14 5.002 2.406 -4.974 127 1HA GLY 14 2HA GLY 14 6.948 2.621 -2.918 128 2HA GLY 14 1HA GLY 14 5.355 2.395 -2.217 129 H GLU 15 H GLU 15 6.801 0.507 -1.450 130 HA GLU 15 HA GLU 15 6.035 -1.803 -3.058 131 1HB GLU 15 2HB GLU 15 8.839 -1.382 -1.999 132 2HB GLU 15 1HB GLU 15 8.244 -2.868 -2.720 133 1HG GLU 15 2HG GLU 15 9.452 -1.819 -4.414 134 2HG GLU 15 1HG GLU 15 7.765 -1.494 -4.797 135 H THR 16 H THR 16 5.500 -3.573 -1.873 136 HA THR 16 HA THR 16 5.962 -3.514 1.012 137 HB THR 16 HB THR 16 3.816 -2.648 1.054 138 HG1 THR 16 1HG THR 16 3.276 -5.403 0.906 139 1HG2 THR 16 1HG2 THR 16 2.090 -4.108 -0.510 140 2HG2 THR 16 2HG2 THR 16 3.506 -3.898 -1.536 141 3HG2 THR 16 3HG2 THR 16 2.702 -2.491 -0.855 142 H THR 17 H THR 17 5.282 -5.673 2.035 143 HA THR 17 HA THR 17 5.544 -7.914 0.175 144 HB THR 17 HB THR 17 7.338 -8.923 1.525 145 HG1 THR 17 1HG THR 17 8.402 -7.603 3.047 146 1HG2 THR 17 1HG2 THR 17 9.133 -7.721 0.672 147 2HG2 THR 17 2HG2 THR 17 8.265 -6.187 0.755 148 3HG2 THR 17 3HG2 THR 17 7.813 -7.393 -0.450 149 H THR 18 H THR 18 4.086 -9.387 0.622 150 HA THR 18 HA THR 18 3.026 -9.632 3.371 151 HB THR 18 HB THR 18 1.373 -9.102 1.609 152 HG1 THR 18 1HG THR 18 0.846 -10.477 3.427 153 1HG2 THR 18 1HG2 THR 18 1.028 -11.568 0.337 154 2HG2 THR 18 2HG2 THR 18 2.730 -11.146 0.144 155 3HG2 THR 18 3HG2 THR 18 1.476 -10.026 -0.392 156 H GLU 19 H GLU 19 3.047 -11.595 4.407 157 HA GLU 19 HA GLU 19 4.704 -13.686 3.176 158 1HB GLU 19 2HB GLU 19 5.473 -12.850 5.343 159 2HB GLU 19 1HB GLU 19 3.914 -13.229 6.062 160 1HG GLU 19 2HG GLU 19 5.547 -14.897 6.665 161 2HG GLU 19 1HG GLU 19 4.300 -15.605 5.641 162 H ALA 20 H ALA 20 3.544 -15.250 2.166 163 HA ALA 20 HA ALA 20 1.320 -16.445 3.614 164 1HB ALA 20 1HB ALA 20 0.644 -14.534 1.926 165 2HB ALA 20 2HB ALA 20 -0.325 -15.996 2.109 166 3HB ALA 20 3HB ALA 20 0.797 -15.843 0.756 167 H VAL 21 H VAL 21 0.773 -18.506 2.965 168 HA VAL 21 HA VAL 21 2.790 -20.249 2.310 169 HB VAL 21 HB VAL 21 -0.109 -20.764 1.660 170 1HG1 VAL 21 1HG1 VAL 21 2.106 -22.629 2.500 171 2HG1 VAL 21 2HG1 VAL 21 1.474 -22.454 0.863 172 3HG1 VAL 21 3HG1 VAL 21 0.439 -23.083 2.145 173 1HG2 VAL 21 1HG2 VAL 21 -0.009 -21.764 4.066 174 2HG2 VAL 21 2HG2 VAL 21 -0.292 -20.036 3.838 175 3HG2 VAL 21 3HG2 VAL 21 1.315 -20.618 4.280 176 H ASP 22 H ASP 22 0.540 -18.675 0.106 177 HA ASP 22 HA ASP 22 2.289 -19.412 -2.110 178 1HB ASP 22 2HB ASP 22 0.478 -20.198 -3.527 179 2HB ASP 22 1HB ASP 22 0.554 -21.164 -2.058 180 H ALA 23 H ALA 23 1.532 -18.290 -4.193 181 HA ALA 23 HA ALA 23 1.603 -15.543 -3.785 182 1HB ALA 23 1HB ALA 23 1.282 -17.331 -6.084 183 2HB ALA 23 2HB ALA 23 2.301 -15.904 -5.888 184 3HB ALA 23 3HB ALA 23 0.597 -15.720 -6.304 185 H ALA 24 H ALA 24 -1.164 -17.636 -4.467 186 HA ALA 24 HA ALA 24 -3.065 -15.566 -4.730 187 1HB ALA 24 1HB ALA 24 -3.148 -18.254 -5.072 188 2HB ALA 24 2HB ALA 24 -4.578 -17.226 -4.980 189 3HB ALA 24 3HB ALA 24 -4.021 -18.094 -3.549 190 H THR 25 H THR 25 -2.290 -17.647 -1.924 191 HA THR 25 HA THR 25 -3.946 -16.444 -0.067 192 HB THR 25 HB THR 25 -2.324 -17.266 1.622 193 HG1 THR 25 1HG THR 25 -0.355 -17.699 1.125 194 1HG2 THR 25 1HG2 THR 25 -3.229 -19.025 -0.576 195 2HG2 THR 25 2HG2 THR 25 -3.639 -19.048 1.139 196 3HG2 THR 25 3HG2 THR 25 -2.082 -19.675 0.596 197 H ALA 26 H ALA 26 -0.644 -15.619 -1.038 198 HA ALA 26 HA ALA 26 -0.288 -13.428 0.687 199 1HB ALA 26 1HB ALA 26 1.110 -12.816 -1.650 200 2HB ALA 26 2HB ALA 26 1.080 -14.578 -1.587 201 3HB ALA 26 3HB ALA 26 1.735 -13.659 -0.233 202 H GLU 27 H GLU 27 -1.385 -13.567 -2.713 203 HA GLU 27 HA GLU 27 -1.903 -10.895 -3.113 204 1HB GLU 27 2HB GLU 27 -1.992 -12.570 -4.891 205 2HB GLU 27 1HB GLU 27 -3.438 -13.268 -4.173 206 1HG GLU 27 2HG GLU 27 -4.652 -11.191 -4.588 207 2HG GLU 27 1HG GLU 27 -3.203 -10.489 -5.305 208 H LYS 28 H LYS 28 -4.097 -13.389 -1.824 209 HA LYS 28 HA LYS 28 -6.348 -11.776 -1.484 210 1HB LYS 28 2HB LYS 28 -5.434 -14.162 0.131 211 2HB LYS 28 1HB LYS 28 -7.040 -13.451 0.225 212 1HG LYS 28 2HG LYS 28 -5.798 -14.729 -2.202 213 2HG LYS 28 1HG LYS 28 -7.059 -15.419 -1.179 214 1HD LYS 28 2HD LYS 28 -8.552 -13.578 -1.785 215 2HD LYS 28 1HD LYS 28 -7.291 -12.891 -2.808 216 1HE LYS 28 2HE LYS 28 -8.920 -14.148 -4.127 217 2HE LYS 28 1HE LYS 28 -7.320 -14.888 -4.205 218 1HZ LYS 28 1HZ LYS 28 -9.527 -15.790 -2.433 219 2HZ LYS 28 2HZ LYS 28 -8.014 -16.527 -2.600 220 3HZ LYS 28 3HZ LYS 28 -9.099 -16.521 -3.899 221 H VAL 29 H VAL 29 -3.578 -12.330 0.620 222 HA VAL 29 HA VAL 29 -4.498 -11.053 2.919 223 HB VAL 29 HB VAL 29 -1.682 -11.201 1.827 224 1HG1 VAL 29 1HG1 VAL 29 -1.087 -10.895 4.288 225 2HG1 VAL 29 2HG1 VAL 29 -2.731 -10.284 4.485 226 3HG1 VAL 29 3HG1 VAL 29 -1.608 -9.464 3.399 227 1HG2 VAL 29 1HG2 VAL 29 -2.479 -12.833 4.135 228 2HG2 VAL 29 2HG2 VAL 29 -1.495 -13.250 2.732 229 3HG2 VAL 29 3HG2 VAL 29 -3.255 -13.259 2.611 230 H VAL 30 H VAL 30 -2.983 -9.742 0.023 231 HA VAL 30 HA VAL 30 -2.676 -7.096 0.966 232 HB VAL 30 HB VAL 30 -3.211 -7.848 -1.904 233 1HG1 VAL 30 1HG1 VAL 30 -1.295 -5.772 -0.924 234 2HG1 VAL 30 2HG1 VAL 30 -3.020 -5.420 -1.030 235 3HG1 VAL 30 3HG1 VAL 30 -2.125 -5.883 -2.477 236 1HG2 VAL 30 1HG2 VAL 30 -0.508 -7.814 -1.739 237 2HG2 VAL 30 2HG2 VAL 30 -1.487 -9.280 -1.688 238 3HG2 VAL 30 3HG2 VAL 30 -0.928 -8.540 -0.187 239 H LYS 31 H LYS 31 -5.283 -8.700 -0.896 240 HA LYS 31 HA LYS 31 -6.992 -6.594 -1.311 241 1HB LYS 31 2HB LYS 31 -7.518 -9.487 -0.721 242 2HB LYS 31 1HB LYS 31 -8.859 -8.364 -0.899 243 1HG LYS 31 2HG LYS 31 -8.360 -9.574 -2.969 244 2HG LYS 31 1HG LYS 31 -8.168 -7.831 -3.149 245 1HD LYS 31 2HD LYS 31 -5.736 -8.101 -2.846 246 2HD LYS 31 1HD LYS 31 -5.964 -9.846 -2.752 247 1HE LYS 31 2HE LYS 31 -5.253 -9.029 -4.998 248 2HE LYS 31 1HE LYS 31 -6.764 -9.939 -5.001 249 1HZ LYS 31 1HZ LYS 31 -6.523 -7.656 -6.252 250 2HZ LYS 31 2HZ LYS 31 -6.924 -7.033 -4.733 251 3HZ LYS 31 3HZ LYS 31 -7.976 -8.104 -5.510 252 H GLN 32 H GLN 32 -6.707 -8.582 1.600 253 HA GLN 32 HA GLN 32 -8.710 -7.157 3.056 254 1HB GLN 32 2HB GLN 32 -7.950 -9.474 3.619 255 2HB GLN 32 1HB GLN 32 -6.411 -8.803 4.137 256 1HG GLN 32 2HG GLN 32 -7.762 -9.213 6.060 257 2HG GLN 32 1HG GLN 32 -7.594 -7.475 5.840 258 1HE2 GLN 32 1HE2 GLN 32 -9.716 -8.732 3.546 259 2HE2 GLN 32 2HE2 GLN 32 -11.194 -8.377 4.356 260 H PHE 33 H PHE 33 -5.242 -6.950 2.694 261 HA PHE 33 HA PHE 33 -4.578 -5.126 4.671 262 1HB PHE 33 2HB PHE 33 -2.999 -6.402 3.209 263 2HB PHE 33 1HB PHE 33 -3.387 -5.303 1.892 264 HD1 PHE 33 1HD PHE 33 -1.894 -5.519 5.252 265 HD2 PHE 33 2HD PHE 33 -2.291 -3.216 1.683 266 HE1 PHE 33 1HE PHE 33 -0.104 -4.016 6.014 267 HE2 PHE 33 2HE PHE 33 -0.499 -1.716 2.455 268 HZ PHE 33 HZ PHE 33 0.592 -2.123 4.627 269 H PHE 34 H PHE 34 -5.423 -4.457 1.287 270 HA PHE 34 HA PHE 34 -5.534 -1.614 1.725 271 1HB PHE 34 2HB PHE 34 -6.324 -3.286 -0.656 272 2HB PHE 34 1HB PHE 34 -6.351 -1.522 -0.627 273 HD1 PHE 34 1HD PHE 34 -3.939 -0.934 0.920 274 HD2 PHE 34 2HD PHE 34 -4.601 -3.802 -2.154 275 HE1 PHE 34 1HE PHE 34 -1.548 -0.893 0.379 276 HE2 PHE 34 2HE PHE 34 -2.201 -3.762 -2.704 277 HZ PHE 34 HZ PHE 34 -0.681 -2.309 -1.422 278 H ASN 35 H ASN 35 -7.902 -4.192 1.380 279 HA ASN 35 HA ASN 35 -10.244 -2.745 1.223 280 1HB ASN 35 2HB ASN 35 -10.236 -5.169 1.113 281 2HB ASN 35 1HB ASN 35 -9.668 -5.278 2.777 282 1HD2 ASN 35 1HD2 ASN 35 -12.264 -5.670 0.923 283 2HD2 ASN 35 2HD2 ASN 35 -13.521 -5.341 2.059 284 H ASP 36 H ASP 36 -8.225 -3.432 3.982 285 HA ASP 36 HA ASP 36 -10.002 -1.975 5.781 286 1HB ASP 36 2HB ASP 36 -7.470 -3.524 6.365 287 2HB ASP 36 1HB ASP 36 -8.500 -2.771 7.579 288 H ASN 37 H ASN 37 -6.990 -1.465 4.087 289 HA ASN 37 HA ASN 37 -6.166 0.704 5.807 290 1HB ASN 37 2HB ASN 37 -5.216 -0.187 3.076 291 2HB ASN 37 1HB ASN 37 -4.565 1.223 3.902 292 1HD2 ASN 37 1HD2 ASN 37 -3.464 -1.475 3.082 293 2HD2 ASN 37 2HD2 ASN 37 -2.702 -2.064 4.518 294 H GLY 38 H GLY 38 -7.616 0.323 2.634 295 1HA GLY 38 2HA GLY 38 -8.071 2.312 1.242 296 2HA GLY 38 1HA GLY 38 -9.509 1.701 2.024 297 H VAL 39 H VAL 39 -10.746 3.238 2.724 298 HA VAL 39 HA VAL 39 -9.540 5.793 3.563 299 HB VAL 39 HB VAL 39 -12.345 5.256 2.648 300 1HG1 VAL 39 1HG1 VAL 39 -10.878 7.685 3.515 301 2HG1 VAL 39 2HG1 VAL 39 -12.574 7.251 3.725 302 3HG1 VAL 39 3HG1 VAL 39 -12.005 7.854 2.168 303 1HG2 VAL 39 1HG2 VAL 39 -9.858 5.709 1.156 304 2HG2 VAL 39 2HG2 VAL 39 -11.214 6.720 0.659 305 3HG2 VAL 39 3HG2 VAL 39 -11.371 4.963 0.643 306 H ASP 40 H ASP 40 -10.729 3.152 5.140 307 HA ASP 40 HA ASP 40 -11.937 4.852 7.215 308 1HB ASP 40 2HB ASP 40 -12.726 2.030 6.473 309 2HB ASP 40 1HB ASP 40 -13.384 2.947 7.825 310 H GLY 41 H GLY 41 -9.164 3.468 6.657 311 1HA GLY 41 2HA GLY 41 -8.903 1.742 8.958 312 2HA GLY 41 1HA GLY 41 -7.617 2.224 7.864 313 H GLU 42 H GLU 42 -6.849 2.144 10.344 314 HA GLU 42 HA GLU 42 -7.170 4.793 11.559 315 1HB GLU 42 2HB GLU 42 -5.798 2.309 12.611 316 2HB GLU 42 1HB GLU 42 -5.996 3.814 13.498 317 1HG GLU 42 2HG GLU 42 -8.422 3.544 13.418 318 2HG GLU 42 1HG GLU 42 -8.223 2.035 12.528 319 H TRP 43 H TRP 43 -5.867 6.222 10.544 320 HA TRP 43 HA TRP 43 -3.141 5.417 9.856 321 1HB TRP 43 2HB TRP 43 -4.703 7.893 9.115 322 2HB TRP 43 1HB TRP 43 -3.095 7.484 8.529 323 HD1 TRP 43 HD TRP 43 -6.039 4.978 8.700 324 HE1 TRP 43 1HE TRP 43 -6.561 4.216 6.297 325 HE3 TRP 43 3HE TRP 43 -2.850 8.054 6.167 326 HZ2 TRP 43 2HZ TRP 43 -5.728 4.836 3.678 327 HZ3 TRP 43 3HZ TRP 43 -2.772 7.913 3.719 328 HH2 TRP 43 HH TRP 43 -4.189 6.336 2.497 329 H THR 44 H THR 44 -1.506 5.916 11.140 330 HA THR 44 HA THR 44 -1.768 8.217 12.957 331 HB THR 44 HB THR 44 0.054 7.145 14.263 332 HG1 THR 44 1HG THR 44 -0.288 5.000 12.443 333 1HG2 THR 44 1HG2 THR 44 -2.437 6.588 14.601 334 2HG2 THR 44 2HG2 THR 44 -1.218 5.563 15.358 335 3HG2 THR 44 3HG2 THR 44 -2.019 5.034 13.879 336 H TYR 45 H TYR 45 -0.326 9.890 12.798 337 HA TYR 45 HA TYR 45 1.675 9.667 10.648 338 1HB TYR 45 2HB TYR 45 -0.157 11.312 10.284 339 2HB TYR 45 1HB TYR 45 0.370 12.174 11.724 340 HD1 TYR 45 1HD TYR 45 2.606 10.645 9.200 341 HD2 TYR 45 2HD TYR 45 0.946 14.249 10.734 342 HE1 TYR 45 1HE TYR 45 4.181 11.945 7.831 343 HE2 TYR 45 2HE TYR 45 2.517 15.559 9.369 344 HH TYR 45 HH TYR 45 4.630 15.322 8.252 345 H ASP 46 H ASP 46 3.756 10.401 10.951 346 HA ASP 46 HA ASP 46 4.490 11.133 13.708 347 1HB ASP 46 2HB ASP 46 5.182 8.828 13.221 348 2HB ASP 46 1HB ASP 46 6.049 9.382 11.793 349 H ASP 47 H ASP 47 4.378 13.348 13.064 350 HA ASP 47 HA ASP 47 5.563 14.590 10.930 351 1HB ASP 47 2HB ASP 47 5.457 15.604 13.779 352 2HB ASP 47 1HB ASP 47 5.742 16.600 12.355 353 H ALA 48 H ALA 48 7.107 13.477 13.889 354 HA ALA 48 HA ALA 48 9.568 14.707 13.703 355 1HB ALA 48 1HB ALA 48 10.201 13.339 15.378 356 2HB ALA 48 2HB ALA 48 9.629 11.888 14.557 357 3HB ALA 48 3HB ALA 48 8.486 12.931 15.402 358 H THR 49 H THR 49 8.399 11.885 11.949 359 HA THR 49 HA THR 49 10.967 11.810 10.506 360 HB THR 49 HB THR 49 10.447 9.449 9.987 361 HG1 THR 49 1HG THR 49 8.176 9.578 10.190 362 1HG2 THR 49 1HG2 THR 49 11.192 8.573 11.947 363 2HG2 THR 49 2HG2 THR 49 10.136 9.583 12.932 364 3HG2 THR 49 3HG2 THR 49 11.589 10.270 12.207 365 H LYS 50 H LYS 50 8.133 13.170 10.076 366 HA LYS 50 HA LYS 50 6.769 13.671 8.282 367 1HB LYS 50 2HB LYS 50 9.452 13.203 6.982 368 2HB LYS 50 1HB LYS 50 8.061 13.783 6.084 369 1HG LYS 50 2HG LYS 50 8.989 15.205 8.544 370 2HG LYS 50 1HG LYS 50 9.768 15.483 6.987 371 1HD LYS 50 2HD LYS 50 6.792 15.660 7.219 372 2HD LYS 50 1HD LYS 50 7.796 17.010 7.746 373 1HE LYS 50 2HE LYS 50 7.087 17.332 5.451 374 2HE LYS 50 1HE LYS 50 8.832 17.094 5.527 375 1HZ LYS 50 1HZ LYS 50 8.654 14.967 4.640 376 2HZ LYS 50 2HZ LYS 50 7.546 15.865 3.733 377 3HZ LYS 50 3HZ LYS 50 6.998 14.849 4.967 378 H THR 51 H THR 51 6.712 10.912 9.133 379 HA THR 51 HA THR 51 6.022 9.644 6.567 380 HB THR 51 HB THR 51 7.212 8.287 8.989 381 HG1 THR 51 1HG THR 51 8.986 7.972 7.570 382 1HG2 THR 51 1HG2 THR 51 5.757 6.752 7.844 383 2HG2 THR 51 2HG2 THR 51 7.439 6.331 7.519 384 3HG2 THR 51 3HG2 THR 51 6.487 7.169 6.294 385 H PHE 52 H PHE 52 4.211 8.355 6.496 386 HA PHE 52 HA PHE 52 2.386 8.588 8.800 387 1HB PHE 52 2HB PHE 52 1.670 8.085 5.900 388 2HB PHE 52 1HB PHE 52 0.550 8.390 7.222 389 HD1 PHE 52 1HD PHE 52 -0.370 10.478 7.310 390 HD2 PHE 52 2HD PHE 52 3.528 10.025 5.663 391 HE1 PHE 52 1HE PHE 52 -0.316 12.882 6.786 392 HE2 PHE 52 2HE PHE 52 3.590 12.429 5.143 393 HZ PHE 52 HZ PHE 52 1.668 13.859 5.705 394 H THR 53 H THR 53 1.389 6.732 9.590 395 HA THR 53 HA THR 53 2.217 4.211 8.325 396 HB THR 53 HB THR 53 1.918 3.285 10.742 397 HG1 THR 53 1HG THR 53 2.635 5.951 11.337 398 1HG2 THR 53 1HG2 THR 53 4.039 3.021 9.933 399 2HG2 THR 53 2HG2 THR 53 4.307 4.095 11.311 400 3HG2 THR 53 3HG2 THR 53 4.275 4.752 9.673 401 H VAL 54 H VAL 54 0.712 2.862 7.749 402 HA VAL 54 HA VAL 54 -2.046 3.317 8.681 403 HB VAL 54 HB VAL 54 -1.138 1.872 6.182 404 1HG1 VAL 54 1HG1 VAL 54 -3.913 2.854 6.743 405 2HG1 VAL 54 2HG1 VAL 54 -3.373 1.280 7.327 406 3HG1 VAL 54 3HG1 VAL 54 -3.376 1.625 5.598 407 1HG2 VAL 54 1HG2 VAL 54 -0.713 3.977 5.485 408 2HG2 VAL 54 2HG2 VAL 54 -1.731 4.708 6.725 409 3HG2 VAL 54 3HG2 VAL 54 -2.463 4.032 5.270 410 H THR 55 H THR 55 -2.483 1.958 10.307 411 HA THR 55 HA THR 55 -1.283 -0.709 10.252 412 HB THR 55 HB THR 55 -2.810 0.430 12.578 413 HG1 THR 55 1HG THR 55 -0.069 0.816 11.939 414 1HG2 THR 55 1HG2 THR 55 -0.515 -1.514 12.392 415 2HG2 THR 55 2HG2 THR 55 -2.201 -1.923 12.722 416 3HG2 THR 55 3HG2 THR 55 -1.285 -0.959 13.880 417 H GLU 56 H GLU 56 -2.429 -2.238 9.340 418 HA GLU 56 HA GLU 56 -5.189 -2.102 8.813 419 1HB GLU 56 2HB GLU 56 -3.664 -3.460 7.473 420 2HB GLU 56 1HB GLU 56 -3.332 -4.488 8.859 421 1HG GLU 56 2HG GLU 56 -5.666 -5.216 8.880 422 2HG GLU 56 1HG GLU 56 -5.992 -4.191 7.483 423 1H MET 1 1HT MET 1 7.098 18.371 -3.239 424 2H MET 1 2HT MET 1 6.532 19.592 -2.213 425 3H MET 1 3HT MET 1 5.589 18.216 -2.487 426 HA MET 1 HA MET 1 8.277 18.028 -1.286 427 1HB MET 1 2HB MET 1 6.701 19.623 -0.064 428 2HB MET 1 1HB MET 1 5.689 18.223 0.259 429 1HG MET 1 2HG MET 1 7.383 17.198 1.574 430 2HG MET 1 1HG MET 1 8.578 18.394 1.071 431 1HE MET 1 1HE MET 1 8.760 17.861 3.678 432 2HE MET 1 2HE MET 1 8.084 18.977 4.863 433 3HE MET 1 3HE MET 1 9.255 19.553 3.678 434 H GLN 2 H GLN 2 8.702 15.971 -0.479 435 HA GLN 2 HA GLN 2 6.781 13.908 -1.313 436 1HB GLN 2 2HB GLN 2 8.964 13.780 -2.409 437 2HB GLN 2 1HB GLN 2 9.761 13.708 -0.843 438 1HG GLN 2 2HG GLN 2 8.659 11.576 -0.382 439 2HG GLN 2 1HG GLN 2 7.866 11.648 -1.956 440 1HE2 GLN 2 1HE2 GLN 2 8.790 10.411 -3.410 441 2HE2 GLN 2 2HE2 GLN 2 10.474 10.046 -3.527 442 H TYR 3 H TYR 3 6.105 12.328 0.078 443 HA TYR 3 HA TYR 3 7.058 12.505 2.858 444 1HB TYR 3 2HB TYR 3 4.197 12.182 1.932 445 2HB TYR 3 1HB TYR 3 4.732 12.045 3.602 446 HD1 TYR 3 1HD TYR 3 4.874 13.947 4.959 447 HD2 TYR 3 2HD TYR 3 4.594 14.415 0.739 448 HE1 TYR 3 1HE TYR 3 4.586 16.371 5.251 449 HE2 TYR 3 2HE TYR 3 4.309 16.840 1.020 450 HH TYR 3 HH TYR 3 4.880 18.427 3.983 451 H LYS 4 H LYS 4 7.075 10.574 4.038 452 HA LYS 4 HA LYS 4 7.140 8.179 2.365 453 1HB LYS 4 2HB LYS 4 9.105 8.657 3.762 454 2HB LYS 4 1HB LYS 4 8.097 8.632 5.195 455 1HG LYS 4 2HG LYS 4 9.339 6.558 4.954 456 2HG LYS 4 1HG LYS 4 7.601 6.284 4.842 457 1HD LYS 4 2HD LYS 4 8.591 4.964 3.149 458 2HD LYS 4 1HD LYS 4 7.875 6.352 2.336 459 1HE LYS 4 2HE LYS 4 10.783 6.140 3.104 460 2HE LYS 4 1HE LYS 4 10.146 5.734 1.513 461 1HZ LYS 4 1HZ LYS 4 10.605 7.856 1.057 462 2HZ LYS 4 2HZ LYS 4 10.667 8.318 2.683 463 3HZ LYS 4 3HZ LYS 4 9.176 8.209 1.891 464 H VAL 5 H VAL 5 5.753 6.504 2.602 465 HA VAL 5 HA VAL 5 3.767 6.702 4.768 466 HB VAL 5 HB VAL 5 3.271 5.685 1.966 467 1HG1 VAL 5 1HG1 VAL 5 1.113 6.337 3.913 468 2HG1 VAL 5 2HG1 VAL 5 1.957 4.797 4.060 469 3HG1 VAL 5 3HG1 VAL 5 1.111 5.199 2.567 470 1HG2 VAL 5 1HG2 VAL 5 3.576 8.273 2.597 471 2HG2 VAL 5 2HG2 VAL 5 1.867 8.071 2.982 472 3HG2 VAL 5 3HG2 VAL 5 2.454 7.701 1.361 473 H ILE 6 H ILE 6 3.933 5.085 6.139 474 HA ILE 6 HA ILE 6 5.126 2.555 5.285 475 HB ILE 6 HB ILE 6 4.614 3.725 8.018 476 1HG1 ILE 6 2HG1 ILE 6 7.173 3.049 6.556 477 2HG1 ILE 6 1HG1 ILE 6 6.522 4.667 6.783 478 1HG2 ILE 6 1HG2 ILE 6 6.159 1.610 8.556 479 2HG2 ILE 6 2HG2 ILE 6 5.241 0.963 7.198 480 3HG2 ILE 6 3HG2 ILE 6 4.398 1.564 8.625 481 1HD1 ILE 6 1HD1 ILE 6 6.940 4.615 9.098 482 2HD1 ILE 6 2HD1 ILE 6 8.390 3.973 8.326 483 3HD1 ILE 6 3HD1 ILE 6 7.234 2.876 9.081 484 H LEU 7 H LEU 7 3.811 0.932 4.776 485 HA LEU 7 HA LEU 7 1.065 0.945 5.806 486 1HB LEU 7 2HB LEU 7 2.092 -0.879 3.653 487 2HB LEU 7 1HB LEU 7 0.450 -0.332 3.937 488 HG LEU 7 HG LEU 7 2.721 1.289 2.807 489 1HD1 LEU 7 1HD1 LEU 7 0.160 0.205 1.664 490 2HD1 LEU 7 2HD1 LEU 7 1.811 -0.147 1.158 491 3HD1 LEU 7 3HD1 LEU 7 1.126 1.452 0.873 492 1HD2 LEU 7 1HD2 LEU 7 1.054 3.096 2.590 493 2HD2 LEU 7 2HD2 LEU 7 1.424 2.704 4.268 494 3HD2 LEU 7 3HD2 LEU 7 -0.078 2.134 3.543 495 H ASN 8 H ASN 8 1.478 0.114 7.871 496 HA ASN 8 HA ASN 8 2.727 -2.514 8.076 497 1HB ASN 8 2HB ASN 8 1.877 -0.495 10.147 498 2HB ASN 8 1HB ASN 8 2.438 -2.105 10.569 499 1HD2 ASN 8 1HD2 ASN 8 4.127 -1.354 7.881 500 2HD2 ASN 8 2HD2 ASN 8 5.523 -0.646 8.602 501 H GLY 9 H GLY 9 1.363 -4.157 7.608 502 1HA GLY 9 2HA GLY 9 -1.334 -4.064 8.804 503 2HA GLY 9 1HA GLY 9 -0.913 -4.984 7.370 504 H LYS 10 H LYS 10 -2.085 -6.624 8.770 505 HA LYS 10 HA LYS 10 -0.697 -7.707 11.018 506 1HB LYS 10 2HB LYS 10 -2.895 -8.898 9.318 507 2HB LYS 10 1HB LYS 10 -2.334 -9.550 10.851 508 1HG LYS 10 2HG LYS 10 -3.054 -7.509 11.986 509 2HG LYS 10 1HG LYS 10 -3.621 -6.858 10.447 510 1HD LYS 10 2HD LYS 10 -5.209 -8.709 10.251 511 2HD LYS 10 1HD LYS 10 -4.635 -9.367 11.784 512 1HE LYS 10 2HE LYS 10 -5.950 -6.679 11.391 513 2HE LYS 10 1HE LYS 10 -6.717 -8.114 12.070 514 1HZ LYS 10 1HZ LYS 10 -5.975 -6.595 13.797 515 2HZ LYS 10 2HZ LYS 10 -4.383 -6.695 13.236 516 3HZ LYS 10 3HZ LYS 10 -5.134 -8.060 13.891 517 H THR 11 H THR 11 -1.247 -8.958 7.710 518 HA THR 11 HA THR 11 1.099 -10.687 8.061 519 HB THR 11 HB THR 11 -0.025 -11.880 6.049 520 HG1 THR 11 1HG THR 11 -2.290 -11.588 6.036 521 1HG2 THR 11 1HG2 THR 11 -0.828 -13.421 7.452 522 2HG2 THR 11 2HG2 THR 11 -1.842 -12.258 8.304 523 3HG2 THR 11 3HG2 THR 11 -0.130 -12.396 8.706 524 H LEU 12 H LEU 12 0.606 -7.786 6.961 525 HA LEU 12 HA LEU 12 2.367 -8.157 4.659 526 1HB LEU 12 2HB LEU 12 0.133 -7.948 3.756 527 2HB LEU 12 1HB LEU 12 -0.148 -6.502 4.701 528 HG LEU 12 HG LEU 12 1.388 -5.244 3.371 529 1HD1 LEU 12 1HD1 LEU 12 2.378 -7.880 2.709 530 2HD1 LEU 12 2HD1 LEU 12 3.186 -6.321 2.625 531 3HD1 LEU 12 3HD1 LEU 12 2.174 -6.866 1.285 532 1HD2 LEU 12 1HD2 LEU 12 0.199 -6.561 1.089 533 2HD2 LEU 12 2HD2 LEU 12 -0.098 -4.953 1.747 534 3HD2 LEU 12 3HD2 LEU 12 -0.959 -6.346 2.400 535 H LYS 13 H LYS 13 3.928 -6.650 4.434 536 HA LYS 13 HA LYS 13 3.834 -4.218 6.070 537 1HB LYS 13 2HB LYS 13 6.143 -6.175 6.087 538 2HB LYS 13 1HB LYS 13 6.135 -4.601 6.871 539 1HG LYS 13 2HG LYS 13 4.288 -6.878 7.550 540 2HG LYS 13 1HG LYS 13 5.754 -6.455 8.436 541 1HD LYS 13 2HD LYS 13 4.808 -4.253 8.939 542 2HD LYS 13 1HD LYS 13 3.342 -4.680 8.054 543 1HE LYS 13 2HE LYS 13 3.006 -4.959 10.445 544 2HE LYS 13 1HE LYS 13 2.938 -6.517 9.622 545 1HZ LYS 13 1HZ LYS 13 5.225 -6.929 10.302 546 2HZ LYS 13 2HZ LYS 13 4.232 -6.665 11.644 547 3HZ LYS 13 3HZ LYS 13 5.272 -5.444 11.111 548 H GLY 14 H GLY 14 4.872 -2.473 5.132 549 1HA GLY 14 2HA GLY 14 6.839 -2.735 3.105 550 2HA GLY 14 1HA GLY 14 5.264 -2.471 2.381 551 H GLU 15 H GLU 15 6.766 -0.620 1.637 552 HA GLU 15 HA GLU 15 6.034 1.709 3.232 553 1HB GLU 15 2HB GLU 15 8.842 1.219 2.213 554 2HB GLU 15 1HB GLU 15 8.272 2.721 2.925 555 1HG GLU 15 2HG GLU 15 9.430 1.643 4.636 556 2HG GLU 15 1HG GLU 15 7.730 1.358 4.996 557 H THR 16 H THR 16 5.557 3.491 2.040 558 HA THR 16 HA THR 16 6.059 3.421 -0.837 559 HB THR 16 HB THR 16 3.893 2.608 -0.909 560 HG1 THR 16 1HG THR 16 3.420 5.374 -0.770 561 1HG2 THR 16 1HG2 THR 16 2.182 4.108 0.629 562 2HG2 THR 16 2HG2 THR 16 3.579 3.865 1.676 563 3HG2 THR 16 3HG2 THR 16 2.749 2.477 0.982 564 H THR 17 H THR 17 5.446 5.596 -1.871 565 HA THR 17 HA THR 17 5.735 7.829 -0.005 566 HB THR 17 HB THR 17 7.574 8.794 -1.330 567 HG1 THR 17 1HG THR 17 8.626 7.449 -2.837 568 1HG2 THR 17 1HG2 THR 17 9.326 7.549 -0.452 569 2HG2 THR 17 2HG2 THR 17 8.423 6.037 -0.548 570 3HG2 THR 17 3HG2 THR 17 7.984 7.254 0.651 571 H THR 18 H THR 18 4.322 9.337 -0.474 572 HA THR 18 HA THR 18 3.307 9.607 -3.237 573 HB THR 18 HB THR 18 1.616 9.117 -1.499 574 HG1 THR 18 1HG THR 18 1.148 10.504 -3.323 575 1HG2 THR 18 1HG2 THR 18 1.314 11.592 -0.232 576 2HG2 THR 18 2HG2 THR 18 3.002 11.128 -0.015 577 3HG2 THR 18 3HG2 THR 18 1.714 10.040 0.503 578 H GLU 19 H GLU 19 3.391 11.568 -4.272 579 HA GLU 19 HA GLU 19 5.080 13.619 -3.017 580 1HB GLU 19 2HB GLU 19 5.858 12.763 -5.175 581 2HB GLU 19 1HB GLU 19 4.319 13.181 -5.915 582 1HG GLU 19 2HG GLU 19 6.001 14.808 -6.494 583 2HG GLU 19 1HG GLU 19 4.759 15.547 -5.487 584 H ALA 20 H ALA 20 3.943 15.211 -2.024 585 HA ALA 20 HA ALA 20 1.770 16.461 -3.504 586 1HB ALA 20 1HB ALA 20 1.025 14.567 -1.826 587 2HB ALA 20 2HB ALA 20 0.094 16.051 -2.022 588 3HB ALA 20 3HB ALA 20 1.194 15.873 -0.653 589 H VAL 21 H VAL 21 1.265 18.534 -2.861 590 HA VAL 21 HA VAL 21 3.314 20.227 -2.179 591 HB VAL 21 HB VAL 21 0.419 20.812 -1.568 592 1HG1 VAL 21 1HG1 VAL 21 2.690 22.623 -2.377 593 2HG1 VAL 21 2HG1 VAL 21 2.031 22.464 -0.748 594 3HG1 VAL 21 3HG1 VAL 21 1.031 23.118 -2.046 595 1HG2 VAL 21 1HG2 VAL 21 0.577 21.808 -3.972 596 2HG2 VAL 21 2HG2 VAL 21 0.250 20.089 -3.748 597 3HG2 VAL 21 3HG2 VAL 21 1.876 20.632 -4.168 598 H ASP 22 H ASP 22 0.994 18.709 -0.006 599 HA ASP 22 HA ASP 22 2.732 19.403 2.235 600 1HB ASP 22 2HB ASP 22 0.919 20.234 3.627 601 2HB ASP 22 1HB ASP 22 1.039 21.197 2.159 602 H ALA 23 H ALA 23 1.917 18.300 4.308 603 HA ALA 23 HA ALA 23 1.928 15.552 3.899 604 1HB ALA 23 1HB ALA 23 1.617 17.347 6.194 605 2HB ALA 23 2HB ALA 23 2.603 15.897 6.012 606 3HB ALA 23 3HB ALA 23 0.890 15.756 6.403 607 H ALA 24 H ALA 24 -0.798 17.712 4.542 608 HA ALA 24 HA ALA 24 -2.752 15.690 4.778 609 1HB ALA 24 1HB ALA 24 -2.775 18.379 5.120 610 2HB ALA 24 2HB ALA 24 -4.228 17.385 5.007 611 3HB ALA 24 3HB ALA 24 -3.630 18.239 3.584 612 H THR 25 H THR 25 -1.888 17.751 1.984 613 HA THR 25 HA THR 25 -3.547 16.589 0.103 614 HB THR 25 HB THR 25 -1.880 17.370 -1.562 615 HG1 THR 25 1HG THR 25 0.091 17.755 -1.036 616 1HG2 THR 25 1HG2 THR 25 -2.773 19.149 0.624 617 2HG2 THR 25 2HG2 THR 25 -3.159 19.182 -1.098 618 3HG2 THR 25 3HG2 THR 25 -1.595 19.772 -0.533 619 H ALA 26 H ALA 26 -0.278 15.683 1.121 620 HA ALA 26 HA ALA 26 0.050 13.484 -0.600 621 1HB ALA 26 1HB ALA 26 1.397 12.838 1.758 622 2HB ALA 26 2HB ALA 26 1.410 14.601 1.694 623 3HB ALA 26 3HB ALA 26 2.063 13.664 0.349 624 H GLU 27 H GLU 27 -1.093 13.650 2.785 625 HA GLU 27 HA GLU 27 -1.681 10.991 3.177 626 1HB GLU 27 2HB GLU 27 -1.756 12.668 4.954 627 2HB GLU 27 1HB GLU 27 -3.174 13.401 4.216 628 1HG GLU 27 2HG GLU 27 -4.443 11.356 4.614 629 2HG GLU 27 1HG GLU 27 -3.021 10.618 5.350 630 H LYS 28 H LYS 28 -3.795 13.538 1.857 631 HA LYS 28 HA LYS 28 -6.080 11.980 1.485 632 1HB LYS 28 2HB LYS 28 -5.085 14.344 -0.117 633 2HB LYS 28 1HB LYS 28 -6.707 13.671 -0.233 634 1HG LYS 28 2HG LYS 28 -5.468 14.918 2.212 635 2HG LYS 28 1HG LYS 28 -6.697 15.640 1.172 636 1HD LYS 28 2HD LYS 28 -8.245 13.835 1.755 637 2HD LYS 28 1HD LYS 28 -7.015 13.117 2.797 638 1HE LYS 28 2HE LYS 28 -8.630 14.414 4.093 639 2HE LYS 28 1HE LYS 28 -7.016 15.115 4.193 640 1HZ LYS 28 1HZ LYS 28 -9.174 16.070 2.390 641 2HZ LYS 28 2HZ LYS 28 -7.646 16.770 2.579 642 3HZ LYS 28 3HZ LYS 28 -8.749 16.791 3.861 643 H VAL 29 H VAL 29 -3.267 12.467 -0.579 644 HA VAL 29 HA VAL 29 -4.186 11.211 -2.890 645 HB VAL 29 HB VAL 29 -1.384 11.290 -1.759 646 1HG1 VAL 29 1HG1 VAL 29 -0.762 10.970 -4.211 647 2HG1 VAL 29 2HG1 VAL 29 -2.416 10.399 -4.433 648 3HG1 VAL 29 3HG1 VAL 29 -1.330 9.552 -3.330 649 1HG2 VAL 29 1HG2 VAL 29 -2.107 12.942 -4.078 650 2HG2 VAL 29 2HG2 VAL 29 -1.136 13.335 -2.661 651 3HG2 VAL 29 3HG2 VAL 29 -2.895 13.387 -2.565 652 H VAL 30 H VAL 30 -2.746 9.864 0.025 653 HA VAL 30 HA VAL 30 -2.488 7.211 -0.913 654 HB VAL 30 HB VAL 30 -3.047 7.976 1.948 655 1HG1 VAL 30 1HG1 VAL 30 -1.167 5.854 0.995 656 2HG1 VAL 30 2HG1 VAL 30 -2.901 5.543 1.078 657 3HG1 VAL 30 3HG1 VAL 30 -2.015 5.986 2.537 658 1HG2 VAL 30 1HG2 VAL 30 -0.342 7.878 1.823 659 2HG2 VAL 30 2HG2 VAL 30 -1.286 9.366 1.757 660 3HG2 VAL 30 3HG2 VAL 30 -0.723 8.613 0.266 661 H LYS 31 H LYS 31 -5.082 8.879 0.912 662 HA LYS 31 HA LYS 31 -6.848 6.815 1.302 663 1HB LYS 31 2HB LYS 31 -7.295 9.719 0.706 664 2HB LYS 31 1HB LYS 31 -8.665 8.631 0.865 665 1HG LYS 31 2HG LYS 31 -8.166 9.829 2.943 666 2HG LYS 31 1HG LYS 31 -8.020 8.080 3.124 667 1HD LYS 31 2HD LYS 31 -5.577 8.291 2.855 668 2HD LYS 31 1HD LYS 31 -5.762 10.041 2.757 669 1HE LYS 31 2HE LYS 31 -5.103 9.207 5.014 670 2HE LYS 31 1HE LYS 31 -6.591 10.154 4.995 671 1HZ LYS 31 1HZ LYS 31 -6.423 7.866 6.250 672 2HZ LYS 31 2HZ LYS 31 -6.817 7.252 4.725 673 3HZ LYS 31 3HZ LYS 31 -7.853 8.349 5.487 674 H GLN 32 H GLN 32 -6.473 8.794 -1.604 675 HA GLN 32 HA GLN 32 -8.489 7.419 -3.089 676 1HB GLN 32 2HB GLN 32 -7.665 9.716 -3.641 677 2HB GLN 32 1HB GLN 32 -6.134 9.007 -4.137 678 1HG GLN 32 2HG GLN 32 -7.449 9.451 -6.078 679 2HG GLN 32 1HG GLN 32 -7.326 7.709 -5.856 680 1HE2 GLN 32 1HE2 GLN 32 -9.450 9.018 -3.591 681 2HE2 GLN 32 2HE2 GLN 32 -10.925 8.698 -4.423 682 H PHE 33 H PHE 33 -5.033 7.127 -2.678 683 HA PHE 33 HA PHE 33 -4.387 5.287 -4.646 684 1HB PHE 33 2HB PHE 33 -2.796 6.525 -3.161 685 2HB PHE 33 1HB PHE 33 -3.230 5.436 -1.850 686 HD1 PHE 33 1HD PHE 33 -1.684 5.615 -5.188 687 HD2 PHE 33 2HD PHE 33 -2.188 3.323 -1.626 688 HE1 PHE 33 1HE PHE 33 0.079 4.069 -5.924 689 HE2 PHE 33 2HE PHE 33 -0.424 1.780 -2.372 690 HZ PHE 33 HZ PHE 33 0.709 2.159 -4.528 691 H PHE 34 H PHE 34 -5.296 4.641 -1.273 692 HA PHE 34 HA PHE 34 -5.468 1.800 -1.712 693 1HB PHE 34 2HB PHE 34 -6.252 3.492 0.657 694 2HB PHE 34 1HB PHE 34 -6.321 1.728 0.627 695 HD1 PHE 34 1HD PHE 34 -3.902 1.082 -0.885 696 HD2 PHE 34 2HD PHE 34 -4.536 3.966 2.179 697 HE1 PHE 34 1HE PHE 34 -1.519 0.982 -0.311 698 HE2 PHE 34 2HE PHE 34 -2.146 3.866 2.762 699 HZ PHE 34 HZ PHE 34 -0.645 2.378 1.501 700 H ASN 35 H ASN 35 -7.777 4.435 -1.402 701 HA ASN 35 HA ASN 35 -10.157 3.045 -1.277 702 1HB ASN 35 2HB ASN 35 -10.091 5.468 -1.168 703 2HB ASN 35 1HB ASN 35 -9.496 5.564 -2.822 704 1HD2 ASN 35 1HD2 ASN 35 -12.108 6.017 -1.006 705 2HD2 ASN 35 2HD2 ASN 35 -13.357 5.720 -2.158 706 H ASP 36 H ASP 36 -8.081 3.683 -4.009 707 HA ASP 36 HA ASP 36 -9.868 2.271 -5.832 708 1HB ASP 36 2HB ASP 36 -7.292 3.755 -6.380 709 2HB ASP 36 1HB ASP 36 -8.322 3.029 -7.608 710 H ASN 37 H ASN 37 -6.894 1.686 -4.096 711 HA ASN 37 HA ASN 37 -6.099 -0.502 -5.804 712 1HB ASN 37 2HB ASN 37 -5.167 0.366 -3.059 713 2HB ASN 37 1HB ASN 37 -4.537 -1.060 -3.877 714 1HD2 ASN 37 1HD2 ASN 37 -3.384 1.611 -3.041 715 2HD2 ASN 37 2HD2 ASN 37 -2.587 2.181 -4.466 716 H GLY 38 H GLY 38 -7.584 -0.086 -2.653 717 1HA GLY 38 2HA GLY 38 -8.106 -2.062 -1.267 718 2HA GLY 38 1HA GLY 38 -9.520 -1.417 -2.069 719 H VAL 39 H VAL 39 -10.782 -2.924 -2.787 720 HA VAL 39 HA VAL 39 -9.627 -5.506 -3.611 721 HB VAL 39 HB VAL 39 -12.430 -4.903 -2.733 722 1HG1 VAL 39 1HG1 VAL 39 -11.011 -7.366 -3.580 723 2HG1 VAL 39 2HG1 VAL 39 -12.693 -6.892 -3.814 724 3HG1 VAL 39 3HG1 VAL 39 -12.161 -7.507 -2.250 725 1HG2 VAL 39 1HG2 VAL 39 -9.976 -5.415 -1.207 726 2HG2 VAL 39 2HG2 VAL 39 -11.364 -6.393 -0.730 727 3HG2 VAL 39 3HG2 VAL 39 -11.479 -4.634 -0.715 728 H ASP 40 H ASP 40 -10.729 -2.839 -5.203 729 HA ASP 40 HA ASP 40 -11.948 -4.509 -7.293 730 1HB ASP 40 2HB ASP 40 -12.678 -1.669 -6.563 731 2HB ASP 40 1HB ASP 40 -13.339 -2.571 -7.924 732 H GLY 41 H GLY 41 -9.151 -3.192 -6.696 733 1HA GLY 41 2HA GLY 41 -8.815 -1.473 -8.995 734 2HA GLY 41 1HA GLY 41 -7.557 -1.987 -7.882 735 H GLU 42 H GLU 42 -6.752 -1.927 -10.350 736 HA GLU 42 HA GLU 42 -7.121 -4.567 -11.570 737 1HB GLU 42 2HB GLU 42 -5.674 -2.116 -12.602 738 2HB GLU 42 1HB GLU 42 -5.896 -3.617 -13.492 739 1HG GLU 42 2HG GLU 42 -8.315 -3.288 -13.446 740 2HG GLU 42 1HG GLU 42 -8.092 -1.784 -12.553 741 H TRP 43 H TRP 43 -5.867 -6.028 -10.537 742 HA TRP 43 HA TRP 43 -3.132 -5.289 -9.810 743 1HB TRP 43 2HB TRP 43 -4.763 -7.725 -9.093 744 2HB TRP 43 1HB TRP 43 -3.155 -7.355 -8.483 745 HD1 TRP 43 HD TRP 43 -6.034 -4.777 -8.696 746 HE1 TRP 43 1HE TRP 43 -6.571 -4.004 -6.299 747 HE3 TRP 43 3HE TRP 43 -2.958 -7.930 -6.118 748 HZ2 TRP 43 2HZ TRP 43 -5.792 -4.643 -3.669 749 HZ3 TRP 43 3HZ TRP 43 -2.910 -7.791 -3.669 750 HH2 TRP 43 HH TRP 43 -4.306 -6.180 -2.467 751 H THR 44 H THR 44 -1.491 -5.827 -11.072 752 HA THR 44 HA THR 44 -1.784 -8.121 -12.893 753 HB THR 44 HB THR 44 0.082 -7.095 -14.172 754 HG1 THR 44 1HG THR 44 -0.233 -4.940 -12.356 755 1HG2 THR 44 1HG2 THR 44 -2.390 -6.476 -14.547 756 2HG2 THR 44 2HG2 THR 44 -1.135 -5.482 -15.285 757 3HG2 THR 44 3HG2 THR 44 -1.946 -4.934 -13.818 758 H TYR 45 H TYR 45 -0.385 -9.828 -12.714 759 HA TYR 45 HA TYR 45 1.590 -9.654 -10.536 760 1HB TYR 45 2HB TYR 45 -0.286 -11.254 -10.198 761 2HB TYR 45 1HB TYR 45 0.240 -12.129 -11.631 762 HD1 TYR 45 1HD TYR 45 2.476 -10.655 -9.074 763 HD2 TYR 45 2HD TYR 45 0.752 -14.217 -10.632 764 HE1 TYR 45 1HE TYR 45 4.000 -11.992 -7.684 765 HE2 TYR 45 2HE TYR 45 2.271 -15.564 -9.245 766 HH TYR 45 HH TYR 45 4.372 -15.379 -8.100 767 H ASP 46 H ASP 46 3.656 -10.439 -10.808 768 HA ASP 46 HA ASP 46 4.411 -11.190 -13.555 769 1HB ASP 46 2HB ASP 46 5.152 -8.901 -13.059 770 2HB ASP 46 1HB ASP 46 5.986 -9.476 -11.617 771 H ASP 47 H ASP 47 4.237 -13.401 -12.913 772 HA ASP 47 HA ASP 47 5.360 -14.670 -10.764 773 1HB ASP 47 2HB ASP 47 5.271 -15.681 -13.614 774 2HB ASP 47 1HB ASP 47 5.512 -16.684 -12.187 775 H ALA 48 H ALA 48 6.972 -13.595 -13.700 776 HA ALA 48 HA ALA 48 9.401 -14.885 -13.479 777 1HB ALA 48 1HB ALA 48 10.091 -13.535 -15.146 778 2HB ALA 48 2HB ALA 48 9.542 -12.068 -14.332 779 3HB ALA 48 3HB ALA 48 8.387 -13.085 -15.194 780 H THR 49 H THR 49 8.275 -12.034 -11.743 781 HA THR 49 HA THR 49 10.823 -12.023 -10.263 782 HB THR 49 HB THR 49 10.355 -9.650 -9.751 783 HG1 THR 49 1HG THR 49 8.085 -9.723 -9.986 784 1HG2 THR 49 1HG2 THR 49 11.147 -8.791 -11.699 785 2HG2 THR 49 2HG2 THR 49 10.082 -9.777 -12.700 786 3HG2 THR 49 3HG2 THR 49 11.507 -10.498 -11.953 787 H LYS 50 H LYS 50 7.953 -13.312 -9.873 788 HA LYS 50 HA LYS 50 6.551 -13.779 -8.098 789 1HB LYS 50 2HB LYS 50 9.225 -13.376 -6.761 790 2HB LYS 50 1HB LYS 50 7.808 -13.923 -5.882 791 1HG LYS 50 2HG LYS 50 8.737 -15.367 -8.330 792 2HG LYS 50 1HG LYS 50 9.487 -15.665 -6.761 793 1HD LYS 50 2HD LYS 50 6.510 -15.769 -7.036 794 2HD LYS 50 1HD LYS 50 7.489 -17.144 -7.549 795 1HE LYS 50 2HE LYS 50 6.740 -17.448 -5.264 796 2HE LYS 50 1HE LYS 50 8.490 -17.252 -5.316 797 1HZ LYS 50 1HZ LYS 50 8.352 -15.121 -4.431 798 2HZ LYS 50 2HZ LYS 50 7.209 -15.993 -3.539 799 3HZ LYS 50 3HZ LYS 50 6.704 -14.964 -4.780 800 H THR 51 H THR 51 6.573 -11.021 -8.948 801 HA THR 51 HA THR 51 5.878 -9.737 -6.393 802 HB THR 51 HB THR 51 7.135 -8.408 -8.799 803 HG1 THR 51 1HG THR 51 8.896 -8.137 -7.354 804 1HG2 THR 51 1HG2 THR 51 5.701 -6.838 -7.674 805 2HG2 THR 51 2HG2 THR 51 7.388 -6.459 -7.325 806 3HG2 THR 51 3HG2 THR 51 6.399 -7.273 -6.114 807 H PHE 52 H PHE 52 4.098 -8.404 -6.348 808 HA PHE 52 HA PHE 52 2.300 -8.593 -8.677 809 1HB PHE 52 2HB PHE 52 1.556 -8.071 -5.789 810 2HB PHE 52 1HB PHE 52 0.448 -8.350 -7.126 811 HD1 PHE 52 1HD PHE 52 -0.521 -10.414 -7.227 812 HD2 PHE 52 2HD PHE 52 3.363 -10.057 -5.525 813 HE1 PHE 52 1HE PHE 52 -0.532 -12.819 -6.702 814 HE2 PHE 52 2HE PHE 52 3.360 -12.461 -5.006 815 HZ PHE 52 HZ PHE 52 1.411 -13.843 -5.593 816 H THR 53 H THR 53 1.360 -6.713 -9.481 817 HA THR 53 HA THR 53 2.232 -4.212 -8.205 818 HB THR 53 HB THR 53 1.989 -3.280 -10.625 819 HG1 THR 53 1HG THR 53 2.651 -5.963 -11.210 820 1HG2 THR 53 1HG2 THR 53 4.105 -3.068 -9.787 821 2HG2 THR 53 2HG2 THR 53 4.365 -4.149 -11.158 822 3HG2 THR 53 3HG2 THR 53 4.294 -4.803 -9.523 823 H VAL 54 H VAL 54 0.752 -2.827 -7.650 824 HA VAL 54 HA VAL 54 -2.002 -3.215 -8.621 825 HB VAL 54 HB VAL 54 -1.096 -1.792 -6.108 826 1HG1 VAL 54 1HG1 VAL 54 -3.886 -2.707 -6.709 827 2HG1 VAL 54 2HG1 VAL 54 -3.299 -1.147 -7.286 828 3HG1 VAL 54 3HG1 VAL 54 -3.335 -1.491 -5.557 829 1HG2 VAL 54 1HG2 VAL 54 -0.732 -3.906 -5.406 830 2HG2 VAL 54 2HG2 VAL 54 -1.749 -4.613 -6.661 831 3HG2 VAL 54 3HG2 VAL 54 -2.485 -3.920 -5.215 832 H THR 55 H THR 55 -2.384 -1.846 -10.253 833 HA THR 55 HA THR 55 -1.119 0.791 -10.179 834 HB THR 55 HB THR 55 -2.640 -0.311 -12.527 835 HG1 THR 55 1HG THR 55 0.081 -0.763 -11.851 836 1HG2 THR 55 1HG2 THR 55 -0.304 1.576 -12.308 837 2HG2 THR 55 2HG2 THR 55 -1.974 2.025 -12.663 838 3HG2 THR 55 3HG2 THR 55 -1.064 1.040 -13.807 839 H GLU 56 H GLU 56 -2.241 2.346 -9.284 840 HA GLU 56 HA GLU 56 -5.011 2.278 -8.796 841 1HB GLU 56 2HB GLU 56 -3.473 3.599 -7.434 842 2HB GLU 56 1HB GLU 56 -3.096 4.619 -8.816 843 1HG GLU 56 2HG GLU 56 -5.411 5.402 -8.870 844 2HG GLU 56 1HG GLU 56 -5.783 4.386 -7.478 Start of MODEL 11 1 1H MET 1 1HT MET 1 7.316 -19.402 2.337 2 2H MET 1 2HT MET 1 5.784 -18.847 1.882 3 3H MET 1 3HT MET 1 6.660 -18.028 3.075 4 HA MET 1 HA MET 1 8.430 -17.759 1.237 5 1HB MET 1 2HB MET 1 5.877 -18.334 -0.268 6 2HB MET 1 1HB MET 1 7.252 -17.512 -0.990 7 1HG MET 1 2HG MET 1 7.298 -20.284 0.179 8 2HG MET 1 1HG MET 1 7.181 -19.897 -1.537 9 1HE MET 1 1HE MET 1 8.813 -18.507 -2.785 10 2HE MET 1 2HE MET 1 10.553 -18.500 -2.499 11 3HE MET 1 3HE MET 1 9.520 -17.334 -1.673 12 H GLN 2 H GLN 2 8.718 -15.637 0.636 13 HA GLN 2 HA GLN 2 6.667 -13.759 1.580 14 1HB GLN 2 2HB GLN 2 8.827 -13.579 2.722 15 2HB GLN 2 1HB GLN 2 9.642 -13.368 1.179 16 1HG GLN 2 2HG GLN 2 8.424 -11.273 0.830 17 2HG GLN 2 1HG GLN 2 7.630 -11.483 2.389 18 1HE2 GLN 2 1HE2 GLN 2 8.476 -10.284 3.919 19 2HE2 GLN 2 2HE2 GLN 2 10.137 -9.836 4.071 20 H TYR 3 H TYR 3 6.016 -12.049 0.278 21 HA TYR 3 HA TYR 3 6.958 -12.127 -2.512 22 1HB TYR 3 2HB TYR 3 4.115 -11.696 -1.572 23 2HB TYR 3 1HB TYR 3 4.664 -11.603 -3.243 24 HD1 TYR 3 1HD TYR 3 4.556 -13.495 -4.583 25 HD2 TYR 3 2HD TYR 3 4.545 -13.960 -0.355 26 HE1 TYR 3 1HE TYR 3 4.135 -15.901 -4.856 27 HE2 TYR 3 2HE TYR 3 4.127 -16.369 -0.614 28 HH TYR 3 HH TYR 3 4.696 -18.075 -3.109 29 H LYS 4 H LYS 4 7.177 -10.169 -3.560 30 HA LYS 4 HA LYS 4 6.998 -7.811 -1.810 31 1HB LYS 4 2HB LYS 4 9.250 -8.316 -2.652 32 2HB LYS 4 1HB LYS 4 8.652 -8.241 -4.302 33 1HG LYS 4 2HG LYS 4 8.201 -5.902 -4.105 34 2HG LYS 4 1HG LYS 4 8.564 -5.931 -2.380 35 1HD LYS 4 2HD LYS 4 10.430 -4.991 -3.605 36 2HD LYS 4 1HD LYS 4 10.893 -6.539 -2.901 37 1HE LYS 4 2HE LYS 4 9.955 -6.231 -5.745 38 2HE LYS 4 1HE LYS 4 11.650 -6.127 -5.274 39 1HZ LYS 4 1HZ LYS 4 10.756 -8.441 -4.123 40 2HZ LYS 4 2HZ LYS 4 11.696 -8.318 -5.523 41 3HZ LYS 4 3HZ LYS 4 10.015 -8.434 -5.645 42 H VAL 5 H VAL 5 5.144 -6.759 -2.131 43 HA VAL 5 HA VAL 5 3.972 -6.712 -4.801 44 HB VAL 5 HB VAL 5 2.822 -5.696 -2.200 45 1HG1 VAL 5 1HG1 VAL 5 1.757 -5.876 -4.989 46 2HG1 VAL 5 2HG1 VAL 5 1.665 -4.541 -3.842 47 3HG1 VAL 5 3HG1 VAL 5 0.666 -5.973 -3.607 48 1HG2 VAL 5 1HG2 VAL 5 1.312 -7.817 -2.796 49 2HG2 VAL 5 2HG2 VAL 5 2.757 -7.924 -1.792 50 3HG2 VAL 5 3HG2 VAL 5 2.838 -8.351 -3.501 51 H ILE 6 H ILE 6 3.913 -5.005 -6.067 52 HA ILE 6 HA ILE 6 5.155 -2.520 -5.131 53 HB ILE 6 HB ILE 6 4.736 -3.644 -7.899 54 1HG1 ILE 6 2HG1 ILE 6 7.234 -2.855 -6.386 55 2HG1 ILE 6 1HG1 ILE 6 6.650 -4.501 -6.598 56 1HG2 ILE 6 1HG2 ILE 6 5.154 -0.859 -7.059 57 2HG2 ILE 6 2HG2 ILE 6 4.487 -1.510 -8.557 58 3HG2 ILE 6 3HG2 ILE 6 6.235 -1.433 -8.330 59 1HD1 ILE 6 1HD1 ILE 6 8.078 -4.513 -8.321 60 2HD1 ILE 6 2HD1 ILE 6 8.097 -2.754 -8.451 61 3HD1 ILE 6 3HD1 ILE 6 6.775 -3.676 -9.167 62 H LEU 7 H LEU 7 3.827 -0.955 -4.557 63 HA LEU 7 HA LEU 7 1.101 -0.903 -5.612 64 1HB LEU 7 2HB LEU 7 2.180 0.958 -3.511 65 2HB LEU 7 1HB LEU 7 0.526 0.427 -3.762 66 HG LEU 7 HG LEU 7 2.785 -1.198 -2.611 67 1HD1 LEU 7 1HD1 LEU 7 1.343 -1.260 -0.628 68 2HD1 LEU 7 2HD1 LEU 7 0.190 -0.204 -1.444 69 3HD1 LEU 7 3HD1 LEU 7 1.806 0.387 -1.059 70 1HD2 LEU 7 1HD2 LEU 7 1.423 -2.600 -4.056 71 2HD2 LEU 7 2HD2 LEU 7 -0.041 -2.033 -3.253 72 3HD2 LEU 7 3HD2 LEU 7 1.141 -2.992 -2.361 73 H ASN 8 H ASN 8 1.468 -0.125 -7.691 74 HA ASN 8 HA ASN 8 2.807 2.450 -8.015 75 1HB ASN 8 2HB ASN 8 3.362 0.488 -9.472 76 2HB ASN 8 1HB ASN 8 1.734 0.586 -10.132 77 1HD2 ASN 8 1HD2 ASN 8 4.741 1.211 -10.889 78 2HD2 ASN 8 2HD2 ASN 8 4.568 2.636 -11.850 79 H GLY 9 H GLY 9 1.449 4.151 -7.604 80 1HA GLY 9 2HA GLY 9 -1.230 4.029 -8.841 81 2HA GLY 9 1HA GLY 9 -0.861 4.945 -7.394 82 H LYS 10 H LYS 10 -1.966 6.632 -8.676 83 HA LYS 10 HA LYS 10 -0.690 7.748 -10.958 84 1HB LYS 10 2HB LYS 10 -2.848 8.709 -9.099 85 2HB LYS 10 1HB LYS 10 -2.204 9.753 -10.358 86 1HG LYS 10 2HG LYS 10 -3.380 7.040 -10.889 87 2HG LYS 10 1HG LYS 10 -4.305 8.539 -10.950 88 1HD LYS 10 2HD LYS 10 -1.867 7.919 -12.616 89 2HD LYS 10 1HD LYS 10 -3.537 7.811 -13.175 90 1HE LYS 10 2HE LYS 10 -3.825 10.210 -12.689 91 2HE LYS 10 1HE LYS 10 -2.131 10.299 -12.211 92 1HZ LYS 10 1HZ LYS 10 -2.291 11.043 -14.442 93 2HZ LYS 10 2HZ LYS 10 -3.206 9.699 -14.908 94 3HZ LYS 10 3HZ LYS 10 -1.578 9.509 -14.493 95 H THR 11 H THR 11 -1.004 8.955 -7.607 96 HA THR 11 HA THR 11 1.404 10.577 -8.037 97 HB THR 11 HB THR 11 0.386 11.828 -5.997 98 HG1 THR 11 1HG THR 11 -1.323 10.008 -6.019 99 1HG2 THR 11 1HG2 THR 11 -0.185 13.407 -7.435 100 2HG2 THR 11 2HG2 THR 11 -1.497 12.422 -8.086 101 3HG2 THR 11 3HG2 THR 11 0.137 12.250 -8.726 102 H LEU 12 H LEU 12 0.844 7.706 -6.945 103 HA LEU 12 HA LEU 12 2.644 8.010 -4.663 104 1HB LEU 12 2HB LEU 12 0.426 7.869 -3.714 105 2HB LEU 12 1HB LEU 12 0.079 6.434 -4.655 106 HG LEU 12 HG LEU 12 1.688 5.153 -3.388 107 1HD1 LEU 12 1HD1 LEU 12 3.437 6.200 -2.515 108 2HD1 LEU 12 2HD1 LEU 12 2.371 6.832 -1.259 109 3HD1 LEU 12 3HD1 LEU 12 2.664 7.766 -2.723 110 1HD2 LEU 12 1HD2 LEU 12 0.491 6.309 -1.047 111 2HD2 LEU 12 2HD2 LEU 12 0.136 4.775 -1.843 112 3HD2 LEU 12 3HD2 LEU 12 -0.684 6.249 -2.361 113 H LYS 13 H LYS 13 4.129 6.440 -4.435 114 HA LYS 13 HA LYS 13 3.904 3.981 -5.984 115 1HB LYS 13 2HB LYS 13 6.264 5.857 -6.255 116 2HB LYS 13 1HB LYS 13 6.132 4.262 -6.983 117 1HG LYS 13 2HG LYS 13 4.229 5.027 -8.315 118 2HG LYS 13 1HG LYS 13 4.371 6.629 -7.592 119 1HD LYS 13 2HD LYS 13 6.622 6.852 -8.530 120 2HD LYS 13 1HD LYS 13 6.481 5.246 -9.248 121 1HE LYS 13 2HE LYS 13 4.742 7.631 -9.873 122 2HE LYS 13 1HE LYS 13 6.035 6.998 -10.892 123 1HZ LYS 13 1HZ LYS 13 3.331 6.060 -10.557 124 2HZ LYS 13 2HZ LYS 13 4.485 4.827 -10.483 125 3HZ LYS 13 3HZ LYS 13 4.405 5.829 -11.844 126 H GLY 14 H GLY 14 5.096 2.262 -5.117 127 1HA GLY 14 2HA GLY 14 7.132 2.570 -3.185 128 2HA GLY 14 1HA GLY 14 5.595 2.361 -2.364 129 H GLU 15 H GLU 15 6.892 0.492 -1.540 130 HA GLU 15 HA GLU 15 6.164 -1.867 -3.085 131 1HB GLU 15 2HB GLU 15 8.957 -1.398 -2.028 132 2HB GLU 15 1HB GLU 15 8.374 -2.908 -2.718 133 1HG GLU 15 2HG GLU 15 7.984 -1.770 -4.852 134 2HG GLU 15 1HG GLU 15 8.604 -0.274 -4.158 135 H THR 16 H THR 16 5.498 -3.523 -1.862 136 HA THR 16 HA THR 16 5.934 -3.389 1.035 137 HB THR 16 HB THR 16 3.762 -2.586 0.961 138 HG1 THR 16 1HG THR 16 3.311 -5.360 0.912 139 1HG2 THR 16 1HG2 THR 16 3.561 -4.034 -1.558 140 2HG2 THR 16 2HG2 THR 16 2.778 -2.545 -1.035 141 3HG2 THR 16 3HG2 THR 16 2.108 -4.108 -0.566 142 H THR 17 H THR 17 5.294 -5.525 2.122 143 HA THR 17 HA THR 17 5.667 -7.808 0.337 144 HB THR 17 HB THR 17 7.439 -8.729 1.817 145 HG1 THR 17 1HG THR 17 7.387 -6.126 2.933 146 1HG2 THR 17 1HG2 THR 17 9.265 -7.220 1.115 147 2HG2 THR 17 2HG2 THR 17 8.049 -6.083 0.532 148 3HG2 THR 17 3HG2 THR 17 8.181 -7.682 -0.198 149 H THR 18 H THR 18 4.188 -9.256 0.759 150 HA THR 18 HA THR 18 3.128 -9.560 3.504 151 HB THR 18 HB THR 18 1.461 -8.976 1.762 152 HG1 THR 18 1HG THR 18 0.928 -10.382 3.538 153 1HG2 THR 18 1HG2 THR 18 0.818 -10.877 0.193 154 2HG2 THR 18 2HG2 THR 18 2.458 -11.473 0.452 155 3HG2 THR 18 3HG2 THR 18 2.201 -9.876 -0.251 156 H GLU 19 H GLU 19 3.112 -11.616 4.433 157 HA GLU 19 HA GLU 19 4.756 -13.632 3.042 158 1HB GLU 19 2HB GLU 19 5.586 -12.751 5.237 159 2HB GLU 19 1HB GLU 19 4.151 -13.415 6.001 160 1HG GLU 19 2HG GLU 19 6.200 -15.042 4.514 161 2HG GLU 19 1HG GLU 19 6.171 -14.816 6.261 162 H ALA 20 H ALA 20 3.547 -15.180 2.090 163 HA ALA 20 HA ALA 20 1.376 -16.369 3.638 164 1HB ALA 20 1HB ALA 20 -0.296 -15.970 2.152 165 2HB ALA 20 2HB ALA 20 0.800 -15.881 0.771 166 3HB ALA 20 3HB ALA 20 0.670 -14.518 1.883 167 H VAL 21 H VAL 21 0.784 -18.444 3.009 168 HA VAL 21 HA VAL 21 2.794 -20.214 2.412 169 HB VAL 21 HB VAL 21 -0.105 -20.707 1.736 170 1HG1 VAL 21 1HG1 VAL 21 2.049 -22.612 2.643 171 2HG1 VAL 21 2HG1 VAL 21 1.519 -22.406 0.973 172 3HG1 VAL 21 3HG1 VAL 21 0.395 -23.022 2.185 173 1HG2 VAL 21 1HG2 VAL 21 -0.110 -21.660 4.124 174 2HG2 VAL 21 2HG2 VAL 21 -0.220 -19.910 3.921 175 3HG2 VAL 21 3HG2 VAL 21 1.316 -20.652 4.375 176 H ASP 22 H ASP 22 0.866 -18.382 0.176 177 HA ASP 22 HA ASP 22 2.572 -19.204 -1.997 178 1HB ASP 22 2HB ASP 22 0.671 -19.910 -3.474 179 2HB ASP 22 1HB ASP 22 1.038 -21.028 -2.164 180 H ALA 23 H ALA 23 1.722 -18.178 -4.136 181 HA ALA 23 HA ALA 23 1.740 -15.412 -3.804 182 1HB ALA 23 1HB ALA 23 2.438 -15.890 -5.899 183 2HB ALA 23 2HB ALA 23 0.739 -15.620 -6.288 184 3HB ALA 23 3HB ALA 23 1.343 -17.262 -6.065 185 H ALA 24 H ALA 24 -0.970 -17.609 -4.368 186 HA ALA 24 HA ALA 24 -2.948 -15.623 -4.667 187 1HB ALA 24 1HB ALA 24 -2.888 -18.524 -4.258 188 2HB ALA 24 2HB ALA 24 -3.932 -17.546 -5.290 189 3HB ALA 24 3HB ALA 24 -4.310 -17.733 -3.578 190 H THR 25 H THR 25 -2.042 -17.559 -1.797 191 HA THR 25 HA THR 25 -3.722 -16.333 0.029 192 HB THR 25 HB THR 25 -1.958 -16.959 1.726 193 HG1 THR 25 1HG THR 25 -0.523 -17.353 -0.604 194 1HG2 THR 25 1HG2 THR 25 -2.932 -18.988 -0.235 195 2HG2 THR 25 2HG2 THR 25 -3.524 -18.643 1.391 196 3HG2 THR 25 3HG2 THR 25 -1.963 -19.436 1.169 197 H ALA 26 H ALA 26 -0.478 -15.422 -1.057 198 HA ALA 26 HA ALA 26 -0.162 -13.158 0.580 199 1HB ALA 26 1HB ALA 26 1.270 -14.405 -1.519 200 2HB ALA 26 2HB ALA 26 1.826 -13.136 -0.429 201 3HB ALA 26 3HB ALA 26 1.067 -12.711 -1.965 202 H GLU 27 H GLU 27 -1.313 -13.450 -2.795 203 HA GLU 27 HA GLU 27 -1.970 -10.835 -3.291 204 1HB GLU 27 2HB GLU 27 -2.060 -12.597 -4.981 205 2HB GLU 27 1HB GLU 27 -3.450 -13.311 -4.176 206 1HG GLU 27 2HG GLU 27 -4.752 -11.294 -4.642 207 2HG GLU 27 1HG GLU 27 -3.359 -10.591 -5.460 208 H LYS 28 H LYS 28 -4.014 -13.345 -1.813 209 HA LYS 28 HA LYS 28 -6.287 -11.737 -1.433 210 1HB LYS 28 2HB LYS 28 -5.332 -14.135 0.145 211 2HB LYS 28 1HB LYS 28 -6.941 -13.432 0.263 212 1HG LYS 28 2HG LYS 28 -5.725 -14.677 -2.194 213 2HG LYS 28 1HG LYS 28 -6.959 -15.396 -1.156 214 1HD LYS 28 2HD LYS 28 -7.274 -12.815 -2.690 215 2HD LYS 28 1HD LYS 28 -7.891 -14.386 -3.212 216 1HE LYS 28 2HE LYS 28 -9.263 -14.509 -1.181 217 2HE LYS 28 1HE LYS 28 -8.653 -12.931 -0.680 218 1HZ LYS 28 1HZ LYS 28 -10.485 -13.589 -2.890 219 2HZ LYS 28 2HZ LYS 28 -9.567 -12.171 -2.947 220 3HZ LYS 28 3HZ LYS 28 -10.653 -12.422 -1.677 221 H VAL 29 H VAL 29 -3.520 -12.447 0.645 222 HA VAL 29 HA VAL 29 -4.331 -11.101 2.932 223 HB VAL 29 HB VAL 29 -1.553 -11.460 1.796 224 1HG1 VAL 29 1HG1 VAL 29 -1.166 -9.754 3.285 225 2HG1 VAL 29 2HG1 VAL 29 -0.981 -11.163 4.329 226 3HG1 VAL 29 3HG1 VAL 29 -2.484 -10.241 4.350 227 1HG2 VAL 29 1HG2 VAL 29 -2.399 -12.941 4.188 228 2HG2 VAL 29 2HG2 VAL 29 -1.488 -13.482 2.778 229 3HG2 VAL 29 3HG2 VAL 29 -3.246 -13.369 2.702 230 H VAL 30 H VAL 30 -2.628 -9.883 0.083 231 HA VAL 30 HA VAL 30 -2.339 -7.239 1.059 232 HB VAL 30 HB VAL 30 -2.456 -8.230 -1.795 233 1HG1 VAL 30 1HG1 VAL 30 -0.915 -5.816 -1.281 234 2HG1 VAL 30 2HG1 VAL 30 -2.633 -5.615 -0.932 235 3HG1 VAL 30 3HG1 VAL 30 -2.114 -6.146 -2.531 236 1HG2 VAL 30 1HG2 VAL 30 -0.262 -8.740 -1.684 237 2HG2 VAL 30 2HG2 VAL 30 -0.607 -8.909 0.038 238 3HG2 VAL 30 3HG2 VAL 30 0.099 -7.414 -0.578 239 H LYS 31 H LYS 31 -4.755 -8.817 -1.042 240 HA LYS 31 HA LYS 31 -6.388 -6.696 -1.620 241 1HB LYS 31 2HB LYS 31 -6.992 -9.580 -1.091 242 2HB LYS 31 1HB LYS 31 -8.293 -8.444 -1.434 243 1HG LYS 31 2HG LYS 31 -7.234 -7.872 -3.554 244 2HG LYS 31 1HG LYS 31 -5.941 -9.024 -3.217 245 1HD LYS 31 2HD LYS 31 -7.523 -10.853 -3.224 246 2HD LYS 31 1HD LYS 31 -8.864 -9.725 -3.439 247 1HE LYS 31 2HE LYS 31 -7.921 -9.030 -5.597 248 2HE LYS 31 1HE LYS 31 -6.603 -10.184 -5.384 249 1HZ LYS 31 1HZ LYS 31 -8.860 -10.732 -6.694 250 2HZ LYS 31 2HZ LYS 31 -9.275 -11.288 -5.151 251 3HZ LYS 31 3HZ LYS 31 -7.911 -11.909 -5.934 252 H GLN 32 H GLN 32 -6.496 -8.738 1.261 253 HA GLN 32 HA GLN 32 -8.609 -7.285 2.492 254 1HB GLN 32 2HB GLN 32 -8.102 -9.552 3.163 255 2HB GLN 32 1HB GLN 32 -6.501 -9.072 3.710 256 1HG GLN 32 2HG GLN 32 -7.426 -7.774 5.488 257 2HG GLN 32 1HG GLN 32 -9.060 -8.007 4.875 258 1HE2 GLN 32 1HE2 GLN 32 -7.837 -10.911 4.315 259 2HE2 GLN 32 2HE2 GLN 32 -8.145 -11.694 5.817 260 H PHE 33 H PHE 33 -5.128 -7.031 2.494 261 HA PHE 33 HA PHE 33 -4.668 -5.253 4.563 262 1HB PHE 33 2HB PHE 33 -2.936 -6.382 3.154 263 2HB PHE 33 1HB PHE 33 -3.322 -5.270 1.847 264 HD1 PHE 33 1HD PHE 33 -2.008 -5.481 5.278 265 HD2 PHE 33 2HD PHE 33 -2.334 -3.132 1.731 266 HE1 PHE 33 1HE PHE 33 -0.359 -3.887 6.165 267 HE2 PHE 33 2HE PHE 33 -0.687 -1.544 2.637 268 HZ PHE 33 HZ PHE 33 0.290 -1.935 4.866 269 H PHE 34 H PHE 34 -5.409 -4.557 1.191 270 HA PHE 34 HA PHE 34 -5.714 -1.717 1.646 271 1HB PHE 34 2HB PHE 34 -6.351 -3.402 -0.779 272 2HB PHE 34 1HB PHE 34 -6.398 -1.638 -0.727 273 HD1 PHE 34 1HD PHE 34 -4.080 -0.919 0.789 274 HD2 PHE 34 2HD PHE 34 -4.543 -4.014 -2.084 275 HE1 PHE 34 1HE PHE 34 -1.666 -0.856 0.343 276 HE2 PHE 34 2HE PHE 34 -2.133 -3.955 -2.547 277 HZ PHE 34 HZ PHE 34 -0.693 -2.374 -1.318 278 H ASN 35 H ASN 35 -7.803 -4.498 1.268 279 HA ASN 35 HA ASN 35 -10.292 -3.339 1.005 280 1HB ASN 35 2HB ASN 35 -9.771 -5.801 1.060 281 2HB ASN 35 1HB ASN 35 -9.621 -5.682 2.811 282 1HD2 ASN 35 1HD2 ASN 35 -11.588 -6.587 0.443 283 2HD2 ASN 35 2HD2 ASN 35 -13.125 -6.374 1.203 284 H ASP 36 H ASP 36 -8.309 -3.782 3.840 285 HA ASP 36 HA ASP 36 -10.259 -2.450 5.556 286 1HB ASP 36 2HB ASP 36 -7.639 -3.784 6.264 287 2HB ASP 36 1HB ASP 36 -8.790 -3.123 7.419 288 H ASN 37 H ASN 37 -7.231 -1.716 3.978 289 HA ASN 37 HA ASN 37 -6.631 0.515 5.717 290 1HB ASN 37 2HB ASN 37 -5.505 -0.308 3.030 291 2HB ASN 37 1HB ASN 37 -4.964 1.118 3.910 292 1HD2 ASN 37 1HD2 ASN 37 -3.651 -1.463 3.095 293 2HD2 ASN 37 2HD2 ASN 37 -2.950 -2.061 4.558 294 H GLY 38 H GLY 38 -7.900 0.017 2.493 295 1HA GLY 38 2HA GLY 38 -8.406 1.941 1.042 296 2HA GLY 38 1HA GLY 38 -9.844 1.265 1.770 297 H VAL 39 H VAL 39 -11.202 2.700 2.459 298 HA VAL 39 HA VAL 39 -10.396 5.433 2.753 299 HB VAL 39 HB VAL 39 -13.126 4.207 2.982 300 1HG1 VAL 39 1HG1 VAL 39 -12.163 7.039 3.032 301 2HG1 VAL 39 2HG1 VAL 39 -13.378 6.252 4.041 302 3HG1 VAL 39 3HG1 VAL 39 -13.750 6.653 2.364 303 1HG2 VAL 39 1HG2 VAL 39 -12.698 3.855 0.787 304 2HG2 VAL 39 2HG2 VAL 39 -11.456 5.105 0.717 305 3HG2 VAL 39 3HG2 VAL 39 -13.161 5.554 0.669 306 H ASP 40 H ASP 40 -12.197 3.279 5.029 307 HA ASP 40 HA ASP 40 -11.817 5.306 7.063 308 1HB ASP 40 2HB ASP 40 -13.340 2.701 7.118 309 2HB ASP 40 1HB ASP 40 -13.318 3.888 8.419 310 H GLY 41 H GLY 41 -9.448 3.721 6.213 311 1HA GLY 41 2HA GLY 41 -8.872 1.863 8.311 312 2HA GLY 41 1HA GLY 41 -7.707 2.547 7.185 313 H GLU 42 H GLU 42 -7.116 2.129 9.897 314 HA GLU 42 HA GLU 42 -7.340 4.705 11.238 315 1HB GLU 42 2HB GLU 42 -5.933 2.161 12.085 316 2HB GLU 42 1HB GLU 42 -6.144 3.591 13.088 317 1HG GLU 42 2HG GLU 42 -8.565 3.297 13.004 318 2HG GLU 42 1HG GLU 42 -8.355 1.865 11.998 319 H TRP 43 H TRP 43 -6.074 6.192 10.201 320 HA TRP 43 HA TRP 43 -3.322 5.465 9.533 321 1HB TRP 43 2HB TRP 43 -4.955 7.891 8.796 322 2HB TRP 43 1HB TRP 43 -3.320 7.560 8.237 323 HD1 TRP 43 HD TRP 43 -6.065 4.868 8.343 324 HE1 TRP 43 1HE TRP 43 -6.547 4.115 5.932 325 HE3 TRP 43 3HE TRP 43 -3.161 8.247 5.874 326 HZ2 TRP 43 2HZ TRP 43 -5.773 4.857 3.323 327 HZ3 TRP 43 3HZ TRP 43 -3.084 8.163 3.425 328 HH2 TRP 43 HH TRP 43 -4.361 6.497 2.175 329 H THR 44 H THR 44 -1.726 5.958 10.861 330 HA THR 44 HA THR 44 -1.992 8.320 12.601 331 HB THR 44 HB THR 44 -0.275 7.235 14.033 332 HG1 THR 44 1HG THR 44 0.544 5.904 12.247 333 1HG2 THR 44 1HG2 THR 44 -2.445 5.219 13.630 334 2HG2 THR 44 2HG2 THR 44 -2.782 6.808 14.321 335 3HG2 THR 44 3HG2 THR 44 -1.649 5.719 15.123 336 H TYR 45 H TYR 45 -0.420 9.905 12.473 337 HA TYR 45 HA TYR 45 1.647 9.484 10.412 338 1HB TYR 45 2HB TYR 45 -0.098 11.157 9.840 339 2HB TYR 45 1HB TYR 45 0.370 12.093 11.255 340 HD1 TYR 45 1HD TYR 45 2.723 10.358 8.983 341 HD2 TYR 45 2HD TYR 45 1.042 14.085 10.159 342 HE1 TYR 45 1HE TYR 45 4.408 11.537 7.635 343 HE2 TYR 45 2HE TYR 45 2.722 15.274 8.814 344 HH TYR 45 HH TYR 45 4.901 14.925 7.859 345 H ASP 46 H ASP 46 3.747 10.179 10.770 346 HA ASP 46 HA ASP 46 4.361 11.069 13.510 347 1HB ASP 46 2HB ASP 46 4.996 8.715 13.222 348 2HB ASP 46 1HB ASP 46 5.952 9.139 11.806 349 H ASP 47 H ASP 47 4.380 13.239 12.741 350 HA ASP 47 HA ASP 47 5.695 14.298 10.587 351 1HB ASP 47 2HB ASP 47 5.559 15.506 13.358 352 2HB ASP 47 1HB ASP 47 5.881 16.388 11.868 353 H ALA 48 H ALA 48 7.085 13.204 13.612 354 HA ALA 48 HA ALA 48 9.572 14.353 13.582 355 1HB ALA 48 1HB ALA 48 8.350 12.082 14.836 356 2HB ALA 48 2HB ALA 48 9.658 13.110 15.415 357 3HB ALA 48 3HB ALA 48 10.019 11.713 14.402 358 H THR 49 H THR 49 8.443 11.670 11.606 359 HA THR 49 HA THR 49 11.037 11.734 10.206 360 HB THR 49 HB THR 49 10.747 9.328 9.723 361 HG1 THR 49 1HG THR 49 8.499 9.601 11.426 362 1HG2 THR 49 1HG2 THR 49 11.382 10.431 12.258 363 2HG2 THR 49 2HG2 THR 49 11.973 8.945 11.515 364 3HG2 THR 49 3HG2 THR 49 10.513 8.917 12.503 365 H LYS 50 H LYS 50 8.203 12.935 9.774 366 HA LYS 50 HA LYS 50 6.766 13.323 8.015 367 1HB LYS 50 2HB LYS 50 9.376 12.808 6.590 368 2HB LYS 50 1HB LYS 50 7.930 13.364 5.763 369 1HG LYS 50 2HG LYS 50 8.523 15.006 8.066 370 2HG LYS 50 1HG LYS 50 9.887 14.932 6.948 371 1HD LYS 50 2HD LYS 50 7.049 15.639 6.197 372 2HD LYS 50 1HD LYS 50 8.358 16.797 6.434 373 1HE LYS 50 2HE LYS 50 9.603 15.791 4.602 374 2HE LYS 50 1HE LYS 50 8.341 14.580 4.387 375 1HZ LYS 50 1HZ LYS 50 7.854 17.492 4.127 376 2HZ LYS 50 2HZ LYS 50 6.828 16.228 3.672 377 3HZ LYS 50 3HZ LYS 50 8.259 16.499 2.819 378 H THR 51 H THR 51 6.775 10.617 9.014 379 HA THR 51 HA THR 51 6.058 9.184 6.546 380 HB THR 51 HB THR 51 7.319 8.061 9.052 381 HG1 THR 51 1HG THR 51 8.269 8.398 6.408 382 1HG2 THR 51 1HG2 THR 51 7.367 6.257 6.851 383 2HG2 THR 51 2HG2 THR 51 5.699 6.715 7.195 384 3HG2 THR 51 3HG2 THR 51 6.705 6.024 8.468 385 H PHE 52 H PHE 52 4.204 8.010 6.522 386 HA PHE 52 HA PHE 52 2.414 8.353 8.837 387 1HB PHE 52 2HB PHE 52 1.662 7.725 5.972 388 2HB PHE 52 1HB PHE 52 0.562 8.118 7.286 389 HD1 PHE 52 1HD PHE 52 -0.212 10.275 7.468 390 HD2 PHE 52 2HD PHE 52 3.467 9.558 5.453 391 HE1 PHE 52 1HE PHE 52 -0.097 12.652 6.837 392 HE2 PHE 52 2HE PHE 52 3.587 11.932 4.823 393 HZ PHE 52 HZ PHE 52 1.805 13.483 5.514 394 H THR 53 H THR 53 1.441 6.580 9.763 395 HA THR 53 HA THR 53 2.180 3.963 8.641 396 HB THR 53 HB THR 53 1.796 3.191 11.101 397 HG1 THR 53 1HG THR 53 2.097 4.712 12.623 398 1HG2 THR 53 1HG2 THR 53 3.940 2.788 10.607 399 2HG2 THR 53 2HG2 THR 53 4.223 4.209 11.617 400 3HG2 THR 53 3HG2 THR 53 4.181 4.370 9.861 401 H VAL 54 H VAL 54 0.612 2.696 8.037 402 HA VAL 54 HA VAL 54 -2.118 3.266 8.987 403 HB VAL 54 HB VAL 54 -1.308 2.004 6.357 404 1HG1 VAL 54 1HG1 VAL 54 -3.957 2.609 7.621 405 2HG1 VAL 54 2HG1 VAL 54 -3.403 1.122 6.853 406 3HG1 VAL 54 3HG1 VAL 54 -3.782 2.533 5.867 407 1HG2 VAL 54 1HG2 VAL 54 -0.962 4.577 6.870 408 2HG2 VAL 54 2HG2 VAL 54 -2.690 4.629 6.519 409 3HG2 VAL 54 3HG2 VAL 54 -1.564 4.015 5.309 410 H THR 55 H THR 55 -2.918 1.766 10.293 411 HA THR 55 HA THR 55 -1.747 -0.918 10.222 412 HB THR 55 HB THR 55 -3.565 0.185 12.358 413 HG1 THR 55 1HG THR 55 -1.660 1.462 12.161 414 1HG2 THR 55 1HG2 THR 55 -3.380 -2.165 12.557 415 2HG2 THR 55 2HG2 THR 55 -2.294 -1.465 13.756 416 3HG2 THR 55 3HG2 THR 55 -1.643 -2.119 12.252 417 H GLU 56 H GLU 56 -2.774 -2.279 8.940 418 HA GLU 56 HA GLU 56 -5.013 -2.247 7.604 419 1HB GLU 56 2HB GLU 56 -5.046 -4.589 7.544 420 2HB GLU 56 1HB GLU 56 -3.377 -4.185 7.929 421 1HG GLU 56 2HG GLU 56 -5.506 -5.199 9.793 422 2HG GLU 56 1HG GLU 56 -4.027 -6.013 9.296 423 1H MET 1 1HT MET 1 7.817 19.270 -2.141 424 2H MET 1 2HT MET 1 6.269 18.749 -1.705 425 3H MET 1 3HT MET 1 7.139 17.912 -2.887 426 HA MET 1 HA MET 1 8.880 17.598 -1.030 427 1HB MET 1 2HB MET 1 6.325 18.230 0.453 428 2HB MET 1 1HB MET 1 7.682 17.387 1.186 429 1HG MET 1 2HG MET 1 7.799 20.152 0.005 430 2HG MET 1 1HG MET 1 7.629 19.782 1.722 431 1HE MET 1 1HE MET 1 9.203 18.333 3.002 432 2HE MET 1 2HE MET 1 10.947 18.281 2.757 433 3HE MET 1 3HE MET 1 9.901 17.154 1.892 434 H GLN 2 H GLN 2 9.106 15.473 -0.422 435 HA GLN 2 HA GLN 2 7.021 13.648 -1.394 436 1HB GLN 2 2HB GLN 2 9.188 13.412 -2.509 437 2HB GLN 2 1HB GLN 2 9.979 13.184 -0.956 438 1HG GLN 2 2HG GLN 2 8.707 11.121 -0.618 439 2HG GLN 2 1HG GLN 2 7.938 11.347 -2.189 440 1HE2 GLN 2 1HE2 GLN 2 8.778 10.128 -3.708 441 2HE2 GLN 2 2HE2 GLN 2 10.431 9.641 -3.836 442 H TYR 3 H TYR 3 6.308 11.955 -0.103 443 HA TYR 3 HA TYR 3 7.214 12.007 2.699 444 1HB TYR 3 2HB TYR 3 4.371 11.647 1.726 445 2HB TYR 3 1HB TYR 3 4.900 11.541 3.402 446 HD1 TYR 3 1HD TYR 3 4.817 13.435 4.741 447 HD2 TYR 3 2HD TYR 3 4.877 13.900 0.512 448 HE1 TYR 3 1HE TYR 3 4.450 15.850 5.007 449 HE2 TYR 3 2HE TYR 3 4.515 16.318 0.767 450 HH TYR 3 HH TYR 3 5.088 18.011 3.269 451 H LYS 4 H LYS 4 7.370 10.045 3.750 452 HA LYS 4 HA LYS 4 7.161 7.692 1.999 453 1HB LYS 4 2HB LYS 4 9.413 8.143 2.878 454 2HB LYS 4 1HB LYS 4 8.786 8.080 4.518 455 1HG LYS 4 2HG LYS 4 8.282 5.754 4.310 456 2HG LYS 4 1HG LYS 4 8.672 5.776 2.590 457 1HD LYS 4 2HD LYS 4 10.495 4.788 3.843 458 2HD LYS 4 1HD LYS 4 11.007 6.324 3.146 459 1HE LYS 4 2HE LYS 4 10.022 6.039 5.977 460 2HE LYS 4 1HE LYS 4 11.720 5.894 5.529 461 1HZ LYS 4 1HZ LYS 4 10.900 8.230 4.367 462 2HZ LYS 4 2HZ LYS 4 11.816 8.084 5.778 463 3HZ LYS 4 3HZ LYS 4 10.136 8.242 5.876 464 H VAL 5 H VAL 5 5.276 6.684 2.294 465 HA VAL 5 HA VAL 5 4.067 6.667 4.947 466 HB VAL 5 HB VAL 5 2.929 5.678 2.329 467 1HG1 VAL 5 1HG1 VAL 5 1.829 5.886 5.104 468 2HG1 VAL 5 2HG1 VAL 5 1.721 4.553 3.957 469 3HG1 VAL 5 3HG1 VAL 5 0.759 6.009 3.707 470 1HG2 VAL 5 1HG2 VAL 5 1.461 7.837 2.905 471 2HG2 VAL 5 2HG2 VAL 5 2.923 7.909 1.922 472 3HG2 VAL 5 3HG2 VAL 5 2.991 8.334 3.631 473 H ILE 6 H ILE 6 3.949 4.962 6.212 474 HA ILE 6 HA ILE 6 5.143 2.446 5.296 475 HB ILE 6 HB ILE 6 4.710 3.581 8.056 476 1HG1 ILE 6 2HG1 ILE 6 7.209 2.735 6.578 477 2HG1 ILE 6 1HG1 ILE 6 6.662 4.394 6.785 478 1HG2 ILE 6 1HG2 ILE 6 5.074 0.788 7.222 479 2HG2 ILE 6 2HG2 ILE 6 4.403 1.455 8.711 480 3HG2 ILE 6 3HG2 ILE 6 6.151 1.335 8.508 481 1HD1 ILE 6 1HD1 ILE 6 8.068 4.370 8.526 482 2HD1 ILE 6 2HD1 ILE 6 8.042 2.610 8.654 483 3HD1 ILE 6 3HD1 ILE 6 6.734 3.566 9.354 484 H LEU 7 H LEU 7 3.784 0.915 4.701 485 HA LEU 7 HA LEU 7 1.042 0.930 5.715 486 1HB LEU 7 2HB LEU 7 2.106 -0.956 3.630 487 2HB LEU 7 1HB LEU 7 0.462 -0.386 3.857 488 HG LEU 7 HG LEU 7 2.775 1.183 2.739 489 1HD1 LEU 7 1HD1 LEU 7 1.365 1.278 0.736 490 2HD1 LEU 7 2HD1 LEU 7 0.175 0.251 1.535 491 3HD1 LEU 7 3HD1 LEU 7 1.781 -0.379 1.174 492 1HD2 LEU 7 1HD2 LEU 7 1.427 2.617 4.166 493 2HD2 LEU 7 2HD2 LEU 7 -0.038 2.086 3.340 494 3HD2 LEU 7 3HD2 LEU 7 1.180 3.018 2.466 495 H ASN 8 H ASN 8 1.361 0.144 7.800 496 HA ASN 8 HA ASN 8 2.633 -2.463 8.141 497 1HB ASN 8 2HB ASN 8 3.215 -0.515 9.606 498 2HB ASN 8 1HB ASN 8 1.575 -0.575 10.245 499 1HD2 ASN 8 1HD2 ASN 8 4.554 -1.271 11.043 500 2HD2 ASN 8 2HD2 ASN 8 4.334 -2.694 12.002 501 H GLY 9 H GLY 9 1.239 -4.131 7.713 502 1HA GLY 9 2HA GLY 9 -1.453 -3.943 8.911 503 2HA GLY 9 1HA GLY 9 -1.085 -4.870 7.471 504 H LYS 10 H LYS 10 -2.249 -6.528 8.737 505 HA LYS 10 HA LYS 10 -1.032 -7.674 11.037 506 1HB LYS 10 2HB LYS 10 -3.185 -8.585 9.146 507 2HB LYS 10 1HB LYS 10 -2.587 -9.642 10.412 508 1HG LYS 10 2HG LYS 10 -3.707 -6.904 10.929 509 2HG LYS 10 1HG LYS 10 -4.665 -8.381 10.975 510 1HD LYS 10 2HD LYS 10 -2.237 -7.819 12.675 511 2HD LYS 10 1HD LYS 10 -3.912 -7.669 13.211 512 1HE LYS 10 2HE LYS 10 -4.250 -10.061 12.722 513 2HE LYS 10 1HE LYS 10 -2.553 -10.190 12.268 514 1HZ LYS 10 1HZ LYS 10 -2.762 -10.930 14.496 515 2HZ LYS 10 2HZ LYS 10 -3.651 -9.564 14.950 516 3HZ LYS 10 3HZ LYS 10 -2.013 -9.413 14.558 517 H THR 11 H THR 11 -1.329 -8.874 7.680 518 HA THR 11 HA THR 11 1.034 -10.554 8.143 519 HB THR 11 HB THR 11 0.014 -11.780 6.089 520 HG1 THR 11 1HG THR 11 -1.652 -9.919 6.087 521 1HG2 THR 11 1HG2 THR 11 -0.617 -13.344 7.518 522 2HG2 THR 11 2HG2 THR 11 -1.912 -12.328 8.152 523 3HG2 THR 11 3HG2 THR 11 -0.283 -12.196 8.814 524 H LEU 12 H LEU 12 0.559 -7.670 7.043 525 HA LEU 12 HA LEU 12 2.382 -8.018 4.788 526 1HB LEU 12 2HB LEU 12 0.182 -7.823 3.807 527 2HB LEU 12 1HB LEU 12 -0.144 -6.380 4.744 528 HG LEU 12 HG LEU 12 1.514 -5.139 3.501 529 1HD1 LEU 12 1HD1 LEU 12 3.250 -6.228 2.653 530 2HD1 LEU 12 2HD1 LEU 12 2.187 -6.835 1.380 531 3HD1 LEU 12 3HD1 LEU 12 2.435 -7.775 2.847 532 1HD2 LEU 12 1HD2 LEU 12 0.323 -6.264 1.142 533 2HD2 LEU 12 2HD2 LEU 12 -0.006 -4.724 1.932 534 3HD2 LEU 12 3HD2 LEU 12 -0.867 -6.176 2.439 535 H LYS 13 H LYS 13 3.909 -6.485 4.581 536 HA LYS 13 HA LYS 13 3.721 -4.022 6.128 537 1HB LYS 13 2HB LYS 13 6.030 -5.955 6.431 538 2HB LYS 13 1HB LYS 13 5.927 -4.356 7.155 539 1HG LYS 13 2HG LYS 13 3.987 -5.075 8.463 540 2HG LYS 13 1HG LYS 13 4.102 -6.680 7.740 541 1HD LYS 13 2HD LYS 13 6.331 -6.957 8.710 542 2HD LYS 13 1HD LYS 13 6.220 -5.349 9.428 543 1HE LYS 13 2HE LYS 13 4.415 -7.691 10.028 544 2HE LYS 13 1HE LYS 13 5.708 -7.088 11.064 545 1HZ LYS 13 1HZ LYS 13 3.033 -6.087 10.691 546 2HZ LYS 13 2HZ LYS 13 4.218 -4.881 10.634 547 3HZ LYS 13 3HZ LYS 13 4.094 -5.880 11.992 548 H GLY 14 H GLY 14 4.967 -2.331 5.277 549 1HA GLY 14 2HA GLY 14 7.020 -2.689 3.373 550 2HA GLY 14 1HA GLY 14 5.500 -2.443 2.532 551 H GLU 15 H GLU 15 6.855 -0.607 1.729 552 HA GLU 15 HA GLU 15 6.163 1.771 3.263 553 1HB GLU 15 2HB GLU 15 8.960 1.234 2.244 554 2HB GLU 15 1HB GLU 15 8.403 2.756 2.925 555 1HG GLU 15 2HG GLU 15 7.955 1.628 5.053 556 2HG GLU 15 1HG GLU 15 8.549 0.118 4.367 557 H THR 16 H THR 16 5.554 3.442 2.029 558 HA THR 16 HA THR 16 6.029 3.296 -0.860 559 HB THR 16 HB THR 16 3.836 2.546 -0.819 560 HG1 THR 16 1HG THR 16 3.452 5.331 -0.775 561 1HG2 THR 16 1HG2 THR 16 3.636 3.999 1.699 562 2HG2 THR 16 2HG2 THR 16 2.823 2.530 1.163 563 3HG2 THR 16 3HG2 THR 16 2.198 4.108 0.686 564 H THR 17 H THR 17 5.455 5.448 -1.957 565 HA THR 17 HA THR 17 5.858 7.721 -0.169 566 HB THR 17 HB THR 17 7.673 8.599 -1.621 567 HG1 THR 17 1HG THR 17 7.574 5.997 -2.739 568 1HG2 THR 17 1HG2 THR 17 9.451 7.045 -0.892 569 2HG2 THR 17 2HG2 THR 17 8.201 5.938 -0.328 570 3HG2 THR 17 3HG2 THR 17 8.361 7.534 0.405 571 H THR 18 H THR 18 4.422 9.204 -0.608 572 HA THR 18 HA THR 18 3.409 9.532 -3.368 573 HB THR 18 HB THR 18 1.703 8.991 -1.650 574 HG1 THR 18 1HG THR 18 1.230 10.407 -3.434 575 1HG2 THR 18 1HG2 THR 18 1.084 10.907 -0.088 576 2HG2 THR 18 2HG2 THR 18 2.741 11.463 -0.325 577 3HG2 THR 18 3HG2 THR 18 2.435 9.872 0.373 578 H GLU 19 H GLU 19 3.455 11.589 -4.298 579 HA GLU 19 HA GLU 19 5.129 13.564 -2.881 580 1HB GLU 19 2HB GLU 19 5.969 12.664 -5.065 581 2HB GLU 19 1HB GLU 19 4.561 13.362 -5.850 582 1HG GLU 19 2HG GLU 19 6.627 14.938 -4.333 583 2HG GLU 19 1HG GLU 19 6.617 14.715 -6.080 584 H ALA 20 H ALA 20 3.945 15.143 -1.946 585 HA ALA 20 HA ALA 20 1.825 16.383 -3.527 586 1HB ALA 20 1HB ALA 20 0.123 16.025 -2.063 587 2HB ALA 20 2HB ALA 20 1.196 15.909 -0.668 588 3HB ALA 20 3HB ALA 20 1.048 14.549 -1.782 589 H VAL 21 H VAL 21 1.273 18.471 -2.906 590 HA VAL 21 HA VAL 21 3.317 20.194 -2.279 591 HB VAL 21 HB VAL 21 0.422 20.757 -1.644 592 1HG1 VAL 21 1HG1 VAL 21 2.634 22.608 -2.518 593 2HG1 VAL 21 2HG1 VAL 21 2.075 22.414 -0.857 594 3HG1 VAL 21 3HG1 VAL 21 0.986 23.058 -2.084 595 1HG2 VAL 21 1HG2 VAL 21 0.474 21.708 -4.032 596 2HG2 VAL 21 2HG2 VAL 21 0.320 19.962 -3.832 597 3HG2 VAL 21 3HG2 VAL 21 1.879 20.666 -4.262 598 H ASP 22 H ASP 22 1.313 18.409 -0.072 599 HA ASP 22 HA ASP 22 3.011 19.190 2.125 600 1HB ASP 22 2HB ASP 22 1.105 19.941 3.577 601 2HB ASP 22 1HB ASP 22 1.517 21.050 2.273 602 H ALA 23 H ALA 23 2.104 18.184 4.252 603 HA ALA 23 HA ALA 23 2.059 15.418 3.920 604 1HB ALA 23 1HB ALA 23 2.741 15.879 6.025 605 2HB ALA 23 2HB ALA 23 1.031 15.651 6.390 606 3HB ALA 23 3HB ALA 23 1.676 17.277 6.177 607 H ALA 24 H ALA 24 -0.604 17.681 4.447 608 HA ALA 24 HA ALA 24 -2.633 15.743 4.718 609 1HB ALA 24 1HB ALA 24 -2.498 18.642 4.310 610 2HB ALA 24 2HB ALA 24 -3.580 17.689 5.326 611 3HB ALA 24 3HB ALA 24 -3.927 17.885 3.609 612 H THR 25 H THR 25 -1.640 17.657 1.860 613 HA THR 25 HA THR 25 -3.323 16.471 0.010 614 HB THR 25 HB THR 25 -1.521 17.055 -1.662 615 HG1 THR 25 1HG THR 25 -0.111 17.415 0.690 616 1HG2 THR 25 1HG2 THR 25 -2.473 19.106 0.288 617 2HG2 THR 25 2HG2 THR 25 -3.051 18.775 -1.345 618 3HG2 THR 25 3HG2 THR 25 -1.475 19.530 -1.103 619 H ALA 26 H ALA 26 -0.118 15.482 1.142 620 HA ALA 26 HA ALA 26 0.167 13.212 -0.490 621 1HB ALA 26 1HB ALA 26 1.600 14.424 1.629 622 2HB ALA 26 2HB ALA 26 2.138 13.140 0.548 623 3HB ALA 26 3HB ALA 26 1.348 12.734 2.072 624 H GLU 27 H GLU 27 -1.025 13.531 2.868 625 HA GLU 27 HA GLU 27 -1.754 10.932 3.355 626 1HB GLU 27 2HB GLU 27 -1.823 12.699 5.042 627 2HB GLU 27 1HB GLU 27 -3.186 13.444 4.218 628 1HG GLU 27 2HG GLU 27 -4.541 11.460 4.666 629 2HG GLU 27 1HG GLU 27 -3.177 10.722 5.504 630 H LYS 28 H LYS 28 -3.714 13.492 1.848 631 HA LYS 28 HA LYS 28 -6.021 11.938 1.435 632 1HB LYS 28 2HB LYS 28 -4.985 14.313 -0.127 633 2HB LYS 28 1HB LYS 28 -6.609 13.650 -0.267 634 1HG LYS 28 2HG LYS 28 -5.396 14.864 2.206 635 2HG LYS 28 1HG LYS 28 -6.597 15.613 1.151 636 1HD LYS 28 2HD LYS 28 -6.998 13.041 2.679 637 2HD LYS 28 1HD LYS 28 -7.585 14.626 3.193 638 1HE LYS 28 2HE LYS 28 -8.924 14.782 1.142 639 2HE LYS 28 1HE LYS 28 -8.345 13.191 0.650 640 1HZ LYS 28 1HZ LYS 28 -10.192 13.893 2.834 641 2HZ LYS 28 2HZ LYS 28 -9.309 12.452 2.905 642 3HZ LYS 28 3HZ LYS 28 -10.371 12.730 1.618 643 H VAL 29 H VAL 29 -3.208 12.581 -0.602 644 HA VAL 29 HA VAL 29 -4.019 11.254 -2.901 645 HB VAL 29 HB VAL 29 -1.247 11.547 -1.726 646 1HG1 VAL 29 1HG1 VAL 29 -0.883 9.831 -3.210 647 2HG1 VAL 29 2HG1 VAL 29 -0.647 11.236 -4.250 648 3HG1 VAL 29 3HG1 VAL 29 -2.173 10.352 -4.293 649 1HG2 VAL 29 1HG2 VAL 29 -2.024 13.048 -4.129 650 2HG2 VAL 29 2HG2 VAL 29 -1.120 13.567 -2.707 651 3HG2 VAL 29 3HG2 VAL 29 -2.881 13.498 -2.654 652 H VAL 30 H VAL 30 -2.385 9.996 -0.028 653 HA VAL 30 HA VAL 30 -2.147 7.347 -1.002 654 HB VAL 30 HB VAL 30 -2.279 8.339 1.852 655 1HG1 VAL 30 1HG1 VAL 30 -0.792 5.888 1.358 656 2HG1 VAL 30 2HG1 VAL 30 -2.508 5.730 0.985 657 3HG1 VAL 30 3HG1 VAL 30 -1.999 6.248 2.591 658 1HG2 VAL 30 1HG2 VAL 30 -0.075 8.797 1.771 659 2HG2 VAL 30 2HG2 VAL 30 -0.391 8.973 0.044 660 3HG2 VAL 30 3HG2 VAL 30 0.271 7.463 0.670 661 H LYS 31 H LYS 31 -4.554 8.984 1.065 662 HA LYS 31 HA LYS 31 -6.244 6.902 1.621 663 1HB LYS 31 2HB LYS 31 -6.773 9.800 1.084 664 2HB LYS 31 1HB LYS 31 -8.105 8.696 1.407 665 1HG LYS 31 2HG LYS 31 -7.090 8.098 3.544 666 2HG LYS 31 1HG LYS 31 -5.763 9.219 3.224 667 1HD LYS 31 2HD LYS 31 -7.301 11.086 3.209 668 2HD LYS 31 1HD LYS 31 -8.673 9.991 3.404 669 1HE LYS 31 2HE LYS 31 -7.777 9.273 5.577 670 2HE LYS 31 1HE LYS 31 -6.429 10.395 5.382 671 1HZ LYS 31 1HZ LYS 31 -8.690 10.999 6.660 672 2HZ LYS 31 2HZ LYS 31 -9.071 11.564 5.112 673 3HZ LYS 31 3HZ LYS 31 -7.701 12.153 5.913 674 H GLN 32 H GLN 32 -6.265 8.946 -1.261 675 HA GLN 32 HA GLN 32 -8.393 7.545 -2.522 676 1HB GLN 32 2HB GLN 32 -7.823 9.799 -3.185 677 2HB GLN 32 1HB GLN 32 -6.224 9.279 -3.709 678 1HG GLN 32 2HG GLN 32 -7.156 8.005 -5.502 679 2HG GLN 32 1HG GLN 32 -8.792 8.278 -4.911 680 1HE2 GLN 32 1HE2 GLN 32 -7.508 11.150 -4.333 681 2HE2 GLN 32 2HE2 GLN 32 -7.776 11.940 -5.840 682 H PHE 33 H PHE 33 -4.920 7.207 -2.476 683 HA PHE 33 HA PHE 33 -4.473 5.418 -4.538 684 1HB PHE 33 2HB PHE 33 -2.735 6.504 -3.106 685 2HB PHE 33 1HB PHE 33 -3.167 5.403 -1.804 686 HD1 PHE 33 1HD PHE 33 -1.798 5.580 -5.217 687 HD2 PHE 33 2HD PHE 33 -2.233 3.241 -1.673 688 HE1 PHE 33 1HE PHE 33 -0.177 3.945 -6.079 689 HE2 PHE 33 2HE PHE 33 -0.612 1.613 -2.555 690 HZ PHE 33 HZ PHE 33 0.406 1.978 -4.770 691 H PHE 34 H PHE 34 -5.279 4.739 -1.177 692 HA PHE 34 HA PHE 34 -5.648 1.908 -1.637 693 1HB PHE 34 2HB PHE 34 -6.277 3.608 0.778 694 2HB PHE 34 1HB PHE 34 -6.364 1.845 0.727 695 HD1 PHE 34 1HD PHE 34 -4.045 1.070 -0.757 696 HD2 PHE 34 2HD PHE 34 -4.472 4.177 2.109 697 HE1 PHE 34 1HE PHE 34 -1.638 0.948 -0.277 698 HE2 PHE 34 2HE PHE 34 -2.071 4.058 2.606 699 HZ PHE 34 HZ PHE 34 -0.653 2.443 1.398 700 H ASN 35 H ASN 35 -7.673 4.737 -1.288 701 HA ASN 35 HA ASN 35 -10.191 3.641 -1.060 702 1HB ASN 35 2HB ASN 35 -9.612 6.087 -1.107 703 2HB ASN 35 1HB ASN 35 -9.438 5.966 -2.855 704 1HD2 ASN 35 1HD2 ASN 35 -11.419 6.919 -0.515 705 2HD2 ASN 35 2HD2 ASN 35 -12.948 6.742 -1.298 706 H ASP 36 H ASP 36 -8.160 4.035 -3.867 707 HA ASP 36 HA ASP 36 -10.118 2.750 -5.613 708 1HB ASP 36 2HB ASP 36 -7.457 4.022 -6.281 709 2HB ASP 36 1HB ASP 36 -8.605 3.388 -7.454 710 H ASN 37 H ASN 37 -7.130 1.943 -3.991 711 HA ASN 37 HA ASN 37 -6.560 -0.302 -5.721 712 1HB ASN 37 2HB ASN 37 -5.452 0.493 -3.019 713 2HB ASN 37 1HB ASN 37 -4.935 -0.944 -3.891 714 1HD2 ASN 37 1HD2 ASN 37 -3.571 1.603 -3.056 715 2HD2 ASN 37 2HD2 ASN 37 -2.834 2.183 -4.509 716 H GLY 38 H GLY 38 -7.863 0.227 -2.515 717 1HA GLY 38 2HA GLY 38 -8.435 -1.684 -1.071 718 2HA GLY 38 1HA GLY 38 -9.846 -0.972 -1.819 719 H VAL 39 H VAL 39 -11.228 -2.374 -2.528 720 HA VAL 39 HA VAL 39 -10.484 -5.126 -2.810 721 HB VAL 39 HB VAL 39 -13.181 -3.835 -3.078 722 1HG1 VAL 39 1HG1 VAL 39 -12.286 -6.689 -3.117 723 2HG1 VAL 39 2HG1 VAL 39 -13.467 -5.873 -4.142 724 3HG1 VAL 39 3HG1 VAL 39 -13.872 -6.265 -2.471 725 1HG2 VAL 39 1HG2 VAL 39 -12.775 -3.493 -0.878 726 2HG2 VAL 39 2HG2 VAL 39 -11.565 -4.774 -0.790 727 3HG2 VAL 39 3HG2 VAL 39 -13.282 -5.180 -0.767 728 H ASP 40 H ASP 40 -12.200 -2.932 -5.112 729 HA ASP 40 HA ASP 40 -11.841 -4.965 -7.141 730 1HB ASP 40 2HB ASP 40 -13.300 -2.326 -7.217 731 2HB ASP 40 1HB ASP 40 -13.290 -3.512 -8.518 732 H GLY 41 H GLY 41 -9.447 -3.437 -6.257 733 1HA GLY 41 2HA GLY 41 -8.797 -1.596 -8.346 734 2HA GLY 41 1HA GLY 41 -7.665 -2.309 -7.206 735 H GLU 42 H GLU 42 -7.025 -1.905 -9.908 736 HA GLU 42 HA GLU 42 -7.292 -4.474 -11.253 737 1HB GLU 42 2HB GLU 42 -5.812 -1.966 -12.078 738 2HB GLU 42 1HB GLU 42 -6.043 -3.389 -13.084 739 1HG GLU 42 2HG GLU 42 -8.458 -3.037 -13.034 740 2HG GLU 42 1HG GLU 42 -8.227 -1.611 -12.025 741 H TRP 43 H TRP 43 -6.078 -5.992 -10.199 742 HA TRP 43 HA TRP 43 -3.318 -5.331 -9.491 743 1HB TRP 43 2HB TRP 43 -5.020 -7.718 -8.777 744 2HB TRP 43 1HB TRP 43 -3.387 -7.425 -8.195 745 HD1 TRP 43 HD TRP 43 -6.063 -4.668 -8.339 746 HE1 TRP 43 1HE TRP 43 -6.562 -3.905 -5.936 747 HE3 TRP 43 3HE TRP 43 -3.278 -8.116 -5.830 748 HZ2 TRP 43 2HZ TRP 43 -5.842 -4.664 -3.315 749 HZ3 TRP 43 3HZ TRP 43 -3.231 -8.033 -3.381 750 HH2 TRP 43 HH TRP 43 -4.486 -6.338 -2.149 751 H THR 44 H THR 44 -1.717 -5.864 -10.797 752 HA THR 44 HA THR 44 -2.015 -8.219 -12.540 753 HB THR 44 HB THR 44 -0.253 -7.176 -13.949 754 HG1 THR 44 1HG THR 44 0.574 -5.865 -12.150 755 1HG2 THR 44 1HG2 THR 44 -2.379 -5.107 -13.576 756 2HG2 THR 44 2HG2 THR 44 -2.745 -6.687 -14.271 757 3HG2 THR 44 3HG2 THR 44 -1.575 -5.627 -15.057 758 H TYR 45 H TYR 45 -0.485 -9.842 -12.391 759 HA TYR 45 HA TYR 45 1.561 -9.469 -10.301 760 1HB TYR 45 2HB TYR 45 -0.229 -11.100 -9.753 761 2HB TYR 45 1HB TYR 45 0.234 -12.048 -11.161 762 HD1 TYR 45 1HD TYR 45 2.598 -10.370 -8.856 763 HD2 TYR 45 2HD TYR 45 0.841 -14.055 -10.057 764 HE1 TYR 45 1HE TYR 45 4.234 -11.589 -7.486 765 HE2 TYR 45 2HE TYR 45 2.474 -15.284 -8.690 766 HH TYR 45 HH TYR 45 4.647 -14.987 -7.704 767 H ASP 46 H ASP 46 3.649 -10.217 -10.630 768 HA ASP 46 HA ASP 46 4.281 -11.122 -13.360 769 1HB ASP 46 2HB ASP 46 4.968 -8.785 -13.062 770 2HB ASP 46 1HB ASP 46 5.895 -9.230 -11.633 771 H ASP 47 H ASP 47 4.236 -13.291 -12.591 772 HA ASP 47 HA ASP 47 5.495 -14.381 -10.419 773 1HB ASP 47 2HB ASP 47 5.369 -15.587 -13.191 774 2HB ASP 47 1HB ASP 47 5.648 -16.475 -11.695 775 H ALA 48 H ALA 48 6.954 -13.322 -13.424 776 HA ALA 48 HA ALA 48 9.411 -14.530 -13.360 777 1HB ALA 48 1HB ALA 48 8.262 -12.230 -14.628 778 2HB ALA 48 2HB ALA 48 9.554 -13.290 -15.190 779 3HB ALA 48 3HB ALA 48 9.934 -11.902 -14.171 780 H THR 49 H THR 49 8.322 -11.820 -11.399 781 HA THR 49 HA THR 49 10.891 -11.948 -9.961 782 HB THR 49 HB THR 49 10.654 -9.536 -9.484 783 HG1 THR 49 1HG THR 49 8.424 -9.753 -11.218 784 1HG2 THR 49 1HG2 THR 49 11.297 -10.655 -12.009 785 2HG2 THR 49 2HG2 THR 49 11.913 -9.185 -11.257 786 3HG2 THR 49 3HG2 THR 49 10.469 -9.119 -12.266 787 H LYS 50 H LYS 50 8.025 -13.081 -9.570 788 HA LYS 50 HA LYS 50 6.553 -13.434 -7.832 789 1HB LYS 50 2HB LYS 50 9.154 -12.983 -6.371 790 2HB LYS 50 1HB LYS 50 7.683 -13.504 -5.565 791 1HG LYS 50 2HG LYS 50 8.265 -15.156 -7.862 792 2HG LYS 50 1HG LYS 50 9.616 -15.118 -6.727 793 1HD LYS 50 2HD LYS 50 6.751 -15.755 -6.015 794 2HD LYS 50 1HD LYS 50 8.039 -16.944 -6.233 795 1HE LYS 50 2HE LYS 50 9.279 -15.964 -4.384 796 2HE LYS 50 1HE LYS 50 8.042 -14.726 -4.186 797 1HZ LYS 50 1HZ LYS 50 7.467 -17.621 -3.941 798 2HZ LYS 50 2HZ LYS 50 6.489 -16.325 -3.471 799 3HZ LYS 50 3HZ LYS 50 7.911 -16.657 -2.623 800 H THR 51 H THR 51 6.640 -10.728 -8.830 801 HA THR 51 HA THR 51 5.925 -9.277 -6.372 802 HB THR 51 HB THR 51 7.245 -8.186 -8.861 803 HG1 THR 51 1HG THR 51 8.153 -8.545 -6.204 804 1HG2 THR 51 1HG2 THR 51 7.309 -6.384 -6.659 805 2HG2 THR 51 2HG2 THR 51 5.635 -6.800 -7.026 806 3HG2 THR 51 3HG2 THR 51 6.675 -6.137 -8.286 807 H PHE 52 H PHE 52 4.100 -8.057 -6.374 808 HA PHE 52 HA PHE 52 2.335 -8.357 -8.714 809 1HB PHE 52 2HB PHE 52 1.557 -7.711 -5.861 810 2HB PHE 52 1HB PHE 52 0.466 -8.078 -7.191 811 HD1 PHE 52 1HD PHE 52 -0.356 -10.216 -7.383 812 HD2 PHE 52 2HD PHE 52 3.310 -9.587 -5.316 813 HE1 PHE 52 1HE PHE 52 -0.310 -12.594 -6.750 814 HE2 PHE 52 2HE PHE 52 3.365 -11.963 -4.684 815 HZ PHE 52 HZ PHE 52 1.556 -13.471 -5.401 816 H THR 53 H THR 53 1.419 -6.562 -9.654 817 HA THR 53 HA THR 53 2.206 -3.963 -8.521 818 HB THR 53 HB THR 53 1.877 -3.184 -10.985 819 HG1 THR 53 1HG THR 53 2.160 -4.711 -12.504 820 1HG2 THR 53 1HG2 THR 53 4.022 -2.831 -10.461 821 2HG2 THR 53 2HG2 THR 53 4.285 -4.260 -11.468 822 3HG2 THR 53 3HG2 THR 53 4.214 -4.419 -9.713 823 H VAL 54 H VAL 54 0.659 -2.660 -7.936 824 HA VAL 54 HA VAL 54 -2.070 -3.163 -8.926 825 HB VAL 54 HB VAL 54 -1.266 -1.920 -6.285 826 1HG1 VAL 54 1HG1 VAL 54 -3.912 -2.460 -7.588 827 2HG1 VAL 54 2HG1 VAL 54 -3.332 -0.987 -6.812 828 3HG1 VAL 54 3HG1 VAL 54 -3.760 -2.389 -5.831 829 1HG2 VAL 54 1HG2 VAL 54 -0.976 -4.501 -6.792 830 2HG2 VAL 54 2HG2 VAL 54 -2.709 -4.511 -6.468 831 3HG2 VAL 54 3HG2 VAL 54 -1.586 -3.925 -5.242 832 H THR 55 H THR 55 -2.813 -1.645 -10.244 833 HA THR 55 HA THR 55 -1.580 1.011 -10.155 834 HB THR 55 HB THR 55 -3.392 -0.049 -12.318 835 HG1 THR 55 1HG THR 55 -1.522 -1.372 -12.095 836 1HG2 THR 55 1HG2 THR 55 -3.149 2.295 -12.512 837 2HG2 THR 55 2HG2 THR 55 -2.063 1.571 -13.698 838 3HG2 THR 55 3HG2 THR 55 -1.417 2.209 -12.184 839 H GLU 56 H GLU 56 -2.591 2.397 -8.890 840 HA GLU 56 HA GLU 56 -4.848 2.421 -7.583 841 1HB GLU 56 2HB GLU 56 -4.825 4.763 -7.523 842 2HB GLU 56 1HB GLU 56 -3.161 4.318 -7.887 843 1HG GLU 56 2HG GLU 56 -5.240 5.383 -9.782 844 2HG GLU 56 1HG GLU 56 -3.749 6.162 -9.262 Start of MODEL 12 1 1H MET 1 1HT MET 1 6.041 -18.632 3.257 2 2H MET 1 2HT MET 1 6.444 -20.067 2.457 3 3H MET 1 3HT MET 1 4.902 -19.395 2.265 4 HA MET 1 HA MET 1 7.470 -18.508 1.145 5 1HB MET 1 2HB MET 1 4.674 -18.913 0.066 6 2HB MET 1 1HB MET 1 6.020 -18.304 -0.886 7 1HG MET 1 2HG MET 1 5.905 -20.999 0.448 8 2HG MET 1 1HG MET 1 5.611 -20.684 -1.262 9 1HE MET 1 1HE MET 1 7.923 -18.393 -1.796 10 2HE MET 1 2HE MET 1 7.386 -19.674 -2.882 11 3HE MET 1 3HE MET 1 9.101 -19.489 -2.515 12 H GLN 2 H GLN 2 7.903 -16.418 0.735 13 HA GLN 2 HA GLN 2 5.936 -14.430 1.651 14 1HB GLN 2 2HB GLN 2 8.039 -14.417 2.911 15 2HB GLN 2 1HB GLN 2 8.944 -14.202 1.419 16 1HG GLN 2 2HG GLN 2 7.864 -12.035 1.078 17 2HG GLN 2 1HG GLN 2 6.972 -12.249 2.583 18 1HE2 GLN 2 1HE2 GLN 2 7.792 -11.128 4.188 19 2HE2 GLN 2 2HE2 GLN 2 9.465 -10.791 4.454 20 H TYR 3 H TYR 3 5.496 -12.625 0.370 21 HA TYR 3 HA TYR 3 6.603 -12.684 -2.356 22 1HB TYR 3 2HB TYR 3 3.698 -12.279 -1.607 23 2HB TYR 3 1HB TYR 3 4.361 -12.088 -3.228 24 HD1 TYR 3 1HD TYR 3 4.441 -13.919 -4.674 25 HD2 TYR 3 2HD TYR 3 3.975 -14.595 -0.499 26 HE1 TYR 3 1HE TYR 3 4.064 -16.310 -5.109 27 HE2 TYR 3 2HE TYR 3 3.596 -16.987 -0.923 28 HH TYR 3 HH TYR 3 4.137 -18.653 -2.685 29 H LYS 4 H LYS 4 6.805 -10.688 -3.387 30 HA LYS 4 HA LYS 4 6.674 -8.395 -1.555 31 1HB LYS 4 2HB LYS 4 8.900 -8.902 -2.457 32 2HB LYS 4 1HB LYS 4 8.274 -8.752 -4.093 33 1HG LYS 4 2HG LYS 4 7.843 -6.411 -3.772 34 2HG LYS 4 1HG LYS 4 8.288 -6.524 -2.070 35 1HD LYS 4 2HD LYS 4 10.116 -5.558 -3.309 36 2HD LYS 4 1HD LYS 4 10.579 -7.166 -2.753 37 1HE LYS 4 2HE LYS 4 9.500 -6.612 -5.509 38 2HE LYS 4 1HE LYS 4 11.219 -6.590 -5.124 39 1HZ LYS 4 1HZ LYS 4 10.319 -8.968 -4.116 40 2HZ LYS 4 2HZ LYS 4 11.185 -8.754 -5.552 41 3HZ LYS 4 3HZ LYS 4 9.496 -8.817 -5.586 42 H VAL 5 H VAL 5 4.929 -7.183 -1.796 43 HA VAL 5 HA VAL 5 3.645 -7.002 -4.414 44 HB VAL 5 HB VAL 5 2.678 -6.028 -1.719 45 1HG1 VAL 5 1HG1 VAL 5 1.357 -6.071 -4.424 46 2HG1 VAL 5 2HG1 VAL 5 1.691 -4.670 -3.407 47 3HG1 VAL 5 3HG1 VAL 5 0.477 -5.850 -2.911 48 1HG2 VAL 5 1HG2 VAL 5 2.491 -8.601 -3.111 49 2HG2 VAL 5 2HG2 VAL 5 0.955 -7.980 -2.505 50 3HG2 VAL 5 3HG2 VAL 5 2.309 -8.218 -1.399 51 H ILE 6 H ILE 6 3.704 -5.236 -5.617 52 HA ILE 6 HA ILE 6 5.090 -2.872 -4.548 53 HB ILE 6 HB ILE 6 4.824 -3.818 -7.408 54 1HG1 ILE 6 2HG1 ILE 6 7.193 -3.774 -5.527 55 2HG1 ILE 6 1HG1 ILE 6 6.341 -5.207 -6.090 56 1HG2 ILE 6 1HG2 ILE 6 5.653 -1.884 -8.137 57 2HG2 ILE 6 2HG2 ILE 6 6.826 -1.782 -6.824 58 3HG2 ILE 6 3HG2 ILE 6 5.171 -1.232 -6.571 59 1HD1 ILE 6 1HD1 ILE 6 7.036 -4.637 -8.401 60 2HD1 ILE 6 2HD1 ILE 6 8.381 -4.979 -7.314 61 3HD1 ILE 6 3HD1 ILE 6 7.995 -3.314 -7.739 62 H LEU 7 H LEU 7 4.010 -1.008 -4.404 63 HA LEU 7 HA LEU 7 1.349 -0.868 -5.643 64 1HB LEU 7 2HB LEU 7 2.323 0.881 -3.398 65 2HB LEU 7 1HB LEU 7 0.670 0.535 -3.871 66 HG LEU 7 HG LEU 7 2.577 -1.375 -2.534 67 1HD1 LEU 7 1HD1 LEU 7 1.263 -1.147 -0.612 68 2HD1 LEU 7 2HD1 LEU 7 -0.043 -0.347 -1.490 69 3HD1 LEU 7 3HD1 LEU 7 1.476 0.501 -1.202 70 1HD2 LEU 7 1HD2 LEU 7 0.901 -3.027 -2.633 71 2HD2 LEU 7 2HD2 LEU 7 1.008 -2.367 -4.264 72 3HD2 LEU 7 3HD2 LEU 7 -0.311 -1.878 -3.203 73 H ASN 8 H ASN 8 1.782 -0.020 -7.622 74 HA ASN 8 HA ASN 8 3.269 2.511 -7.749 75 1HB ASN 8 2HB ASN 8 2.683 0.405 -9.812 76 2HB ASN 8 1HB ASN 8 3.209 2.020 -10.275 77 1HD2 ASN 8 1HD2 ASN 8 5.243 1.852 -10.885 78 2HD2 ASN 8 2HD2 ASN 8 6.500 1.059 -10.006 79 H GLY 9 H GLY 9 2.019 4.251 -7.639 80 1HA GLY 9 2HA GLY 9 -0.531 4.208 -9.138 81 2HA GLY 9 1HA GLY 9 -0.315 5.088 -7.631 82 H LYS 10 H LYS 10 -1.143 6.878 -9.012 83 HA LYS 10 HA LYS 10 0.714 7.936 -10.960 84 1HB LYS 10 2HB LYS 10 -1.847 9.090 -9.838 85 2HB LYS 10 1HB LYS 10 -0.920 9.789 -11.158 86 1HG LYS 10 2HG LYS 10 -1.317 7.777 -12.495 87 2HG LYS 10 1HG LYS 10 -2.266 7.095 -11.171 88 1HD LYS 10 2HD LYS 10 -2.892 9.645 -12.661 89 2HD LYS 10 1HD LYS 10 -3.699 8.093 -12.892 90 1HE LYS 10 2HE LYS 10 -3.659 9.709 -10.346 91 2HE LYS 10 1HE LYS 10 -5.014 9.580 -11.467 92 1HZ LYS 10 1HZ LYS 10 -5.018 7.159 -11.022 93 2HZ LYS 10 2HZ LYS 10 -5.375 8.092 -9.656 94 3HZ LYS 10 3HZ LYS 10 -3.843 7.401 -9.828 95 H THR 11 H THR 11 -0.685 9.085 -7.895 96 HA THR 11 HA THR 11 1.546 10.943 -7.578 97 HB THR 11 HB THR 11 0.041 11.756 -5.647 98 HG1 THR 11 1HG THR 11 -2.228 11.220 -6.192 99 1HG2 THR 11 1HG2 THR 11 -0.659 13.372 -6.997 100 2HG2 THR 11 2HG2 THR 11 -1.606 12.251 -7.975 101 3HG2 THR 11 3HG2 THR 11 0.112 12.479 -8.307 102 H LEU 12 H LEU 12 0.790 7.846 -6.708 103 HA LEU 12 HA LEU 12 2.535 8.021 -4.366 104 1HB LEU 12 2HB LEU 12 0.256 7.928 -3.524 105 2HB LEU 12 1HB LEU 12 -0.060 6.490 -4.477 106 HG LEU 12 HG LEU 12 1.418 5.186 -3.132 107 1HD1 LEU 12 1HD1 LEU 12 2.241 6.753 -1.030 108 2HD1 LEU 12 2HD1 LEU 12 2.462 7.800 -2.428 109 3HD1 LEU 12 3HD1 LEU 12 3.240 6.225 -2.385 110 1HD2 LEU 12 1HD2 LEU 12 -0.924 6.263 -2.220 111 2HD2 LEU 12 2HD2 LEU 12 0.192 6.610 -0.900 112 3HD2 LEU 12 3HD2 LEU 12 -0.032 4.951 -1.451 113 H LYS 13 H LYS 13 4.017 6.466 -4.199 114 HA LYS 13 HA LYS 13 3.761 4.004 -5.741 115 1HB LYS 13 2HB LYS 13 6.111 5.880 -6.066 116 2HB LYS 13 1HB LYS 13 6.008 4.257 -6.736 117 1HG LYS 13 2HG LYS 13 4.102 4.941 -8.104 118 2HG LYS 13 1HG LYS 13 4.211 6.572 -7.437 119 1HD LYS 13 2HD LYS 13 6.348 5.165 -9.038 120 2HD LYS 13 1HD LYS 13 5.278 6.435 -9.635 121 1HE LYS 13 2HE LYS 13 6.217 7.988 -7.987 122 2HE LYS 13 1HE LYS 13 7.289 6.717 -7.404 123 1HZ LYS 13 1HZ LYS 13 8.575 7.970 -8.871 124 2HZ LYS 13 2HZ LYS 13 7.338 8.099 -10.017 125 3HZ LYS 13 3HZ LYS 13 8.123 6.619 -9.785 126 H GLY 14 H GLY 14 5.049 2.290 -4.942 127 1HA GLY 14 2HA GLY 14 7.081 2.597 -3.025 128 2HA GLY 14 1HA GLY 14 5.558 2.367 -2.183 129 H GLU 15 H GLU 15 6.917 0.507 -1.402 130 HA GLU 15 HA GLU 15 6.251 -1.844 -3.012 131 1HB GLU 15 2HB GLU 15 8.944 -1.387 -1.708 132 2HB GLU 15 1HB GLU 15 8.428 -2.885 -2.466 133 1HG GLU 15 2HG GLU 15 9.783 -1.825 -4.047 134 2HG GLU 15 1HG GLU 15 8.132 -1.546 -4.594 135 H THR 16 H THR 16 5.900 -3.752 -1.802 136 HA THR 16 HA THR 16 6.068 -3.632 1.083 137 HB THR 16 HB THR 16 3.965 -2.673 1.042 138 HG1 THR 16 1HG THR 16 3.296 -5.390 0.835 139 1HG2 THR 16 1HG2 THR 16 2.141 -3.299 -0.470 140 2HG2 THR 16 2HG2 THR 16 3.236 -4.391 -1.311 141 3HG2 THR 16 3HG2 THR 16 3.541 -2.657 -1.330 142 H THR 17 H THR 17 5.235 -5.771 2.061 143 HA THR 17 HA THR 17 5.492 -8.006 0.191 144 HB THR 17 HB THR 17 7.151 -9.109 1.683 145 HG1 THR 17 1HG THR 17 7.177 -6.559 2.911 146 1HG2 THR 17 1HG2 THR 17 9.095 -7.590 1.145 147 2HG2 THR 17 2HG2 THR 17 7.914 -6.506 0.409 148 3HG2 THR 17 3HG2 THR 17 8.121 -8.141 -0.219 149 H THR 18 H THR 18 3.975 -9.449 0.554 150 HA THR 18 HA THR 18 2.815 -9.711 3.264 151 HB THR 18 HB THR 18 1.254 -8.949 1.453 152 HG1 THR 18 1HG THR 18 0.528 -10.178 3.262 153 1HG2 THR 18 1HG2 THR 18 0.641 -11.375 0.207 154 2HG2 THR 18 2HG2 THR 18 2.380 -11.150 0.017 155 3HG2 THR 18 3HG2 THR 18 1.264 -9.904 -0.538 156 H GLU 19 H GLU 19 2.527 -11.793 4.113 157 HA GLU 19 HA GLU 19 4.069 -13.897 2.743 158 1HB GLU 19 2HB GLU 19 4.930 -13.265 4.952 159 2HB GLU 19 1HB GLU 19 3.364 -13.611 5.672 160 1HG GLU 19 2HG GLU 19 3.591 -15.959 5.055 161 2HG GLU 19 1HG GLU 19 5.154 -15.617 4.320 162 H ALA 20 H ALA 20 2.888 -15.438 1.776 163 HA ALA 20 HA ALA 20 0.523 -16.467 3.124 164 1HB ALA 20 1HB ALA 20 0.184 -15.809 0.243 165 2HB ALA 20 2HB ALA 20 0.012 -14.521 1.437 166 3HB ALA 20 3HB ALA 20 -1.024 -15.947 1.522 167 H VAL 21 H VAL 21 -0.112 -18.505 2.462 168 HA VAL 21 HA VAL 21 1.832 -20.348 1.861 169 HB VAL 21 HB VAL 21 -1.089 -20.678 1.169 170 1HG1 VAL 21 1HG1 VAL 21 0.439 -22.417 0.298 171 2HG1 VAL 21 2HG1 VAL 21 -0.709 -23.035 1.486 172 3HG1 VAL 21 3HG1 VAL 21 0.966 -22.739 1.949 173 1HG2 VAL 21 1HG2 VAL 21 -1.151 -21.729 3.495 174 2HG2 VAL 21 2HG2 VAL 21 -1.091 -19.969 3.403 175 3HG2 VAL 21 3HG2 VAL 21 0.369 -20.882 3.787 176 H ASP 22 H ASP 22 0.067 -18.368 -0.367 177 HA ASP 22 HA ASP 22 1.760 -19.219 -2.527 178 1HB ASP 22 2HB ASP 22 0.006 -19.980 -4.044 179 2HB ASP 22 1HB ASP 22 0.050 -20.986 -2.601 180 H ALA 23 H ALA 23 0.928 -18.134 -4.671 181 HA ALA 23 HA ALA 23 1.037 -15.372 -4.275 182 1HB ALA 23 1HB ALA 23 0.639 -17.159 -6.582 183 2HB ALA 23 2HB ALA 23 1.746 -15.801 -6.371 184 3HB ALA 23 3HB ALA 23 0.057 -15.506 -6.779 185 H ALA 24 H ALA 24 -1.733 -17.473 -4.915 186 HA ALA 24 HA ALA 24 -3.643 -15.411 -5.188 187 1HB ALA 24 1HB ALA 24 -3.657 -18.294 -5.035 188 2HB ALA 24 2HB ALA 24 -4.818 -17.208 -5.797 189 3HB ALA 24 3HB ALA 24 -4.981 -17.613 -4.089 190 H THR 25 H THR 25 -2.802 -17.451 -2.371 191 HA THR 25 HA THR 25 -4.463 -16.248 -0.510 192 HB THR 25 HB THR 25 -2.784 -17.020 1.167 193 HG1 THR 25 1HG THR 25 -1.259 -17.327 -1.147 194 1HG2 THR 25 1HG2 THR 25 -4.343 -18.679 0.496 195 2HG2 THR 25 2HG2 THR 25 -2.745 -19.427 0.539 196 3HG2 THR 25 3HG2 THR 25 -3.466 -18.973 -1.005 197 H ALA 26 H ALA 26 -1.166 -15.414 -1.519 198 HA ALA 26 HA ALA 26 -0.775 -13.215 0.176 199 1HB ALA 26 1HB ALA 26 0.357 -12.963 -2.528 200 2HB ALA 26 2HB ALA 26 0.741 -14.472 -1.703 201 3HB ALA 26 3HB ALA 26 1.158 -12.930 -0.956 202 H GLU 27 H GLU 27 -1.981 -13.382 -3.174 203 HA GLU 27 HA GLU 27 -2.570 -10.718 -3.563 204 1HB GLU 27 2HB GLU 27 -2.687 -12.195 -5.411 205 2HB GLU 27 1HB GLU 27 -3.862 -13.224 -4.608 206 1HG GLU 27 2HG GLU 27 -4.507 -10.388 -5.309 207 2HG GLU 27 1HG GLU 27 -4.656 -11.684 -6.493 208 H LYS 28 H LYS 28 -4.609 -13.260 -2.146 209 HA LYS 28 HA LYS 28 -6.863 -11.620 -1.690 210 1HB LYS 28 2HB LYS 28 -5.964 -14.144 -0.287 211 2HB LYS 28 1HB LYS 28 -7.546 -13.402 -0.093 212 1HG LYS 28 2HG LYS 28 -6.409 -14.532 -2.641 213 2HG LYS 28 1HG LYS 28 -7.665 -15.259 -1.636 214 1HD LYS 28 2HD LYS 28 -9.106 -13.318 -2.061 215 2HD LYS 28 1HD LYS 28 -7.853 -12.621 -3.087 216 1HE LYS 28 2HE LYS 28 -8.016 -14.526 -4.599 217 2HE LYS 28 1HE LYS 28 -9.237 -15.260 -3.560 218 1HZ LYS 28 1HZ LYS 28 -10.708 -13.417 -4.014 219 2HZ LYS 28 2HZ LYS 28 -10.212 -14.118 -5.471 220 3HZ LYS 28 3HZ LYS 28 -9.529 -12.656 -4.961 221 H VAL 29 H VAL 29 -4.206 -12.645 0.441 222 HA VAL 29 HA VAL 29 -4.997 -11.319 2.751 223 HB VAL 29 HB VAL 29 -2.167 -11.742 1.768 224 1HG1 VAL 29 1HG1 VAL 29 -1.722 -10.402 3.525 225 2HG1 VAL 29 2HG1 VAL 29 -2.005 -11.874 4.453 226 3HG1 VAL 29 3HG1 VAL 29 -3.292 -10.683 4.276 227 1HG2 VAL 29 1HG2 VAL 29 -2.280 -13.891 2.399 228 2HG2 VAL 29 2HG2 VAL 29 -4.027 -13.676 2.277 229 3HG2 VAL 29 3HG2 VAL 29 -3.225 -13.517 3.840 230 H VAL 30 H VAL 30 -3.178 -10.174 -0.035 231 HA VAL 30 HA VAL 30 -2.561 -7.601 0.951 232 HB VAL 30 HB VAL 30 -3.017 -8.461 -1.914 233 1HG1 VAL 30 1HG1 VAL 30 -1.367 -6.139 -0.951 234 2HG1 VAL 30 2HG1 VAL 30 -3.059 -5.974 -1.417 235 3HG1 VAL 30 3HG1 VAL 30 -1.867 -6.513 -2.600 236 1HG2 VAL 30 1HG2 VAL 30 -1.126 -9.425 -0.209 237 2HG2 VAL 30 2HG2 VAL 30 -0.281 -8.067 -0.951 238 3HG2 VAL 30 3HG2 VAL 30 -0.957 -9.342 -1.963 239 H LYS 31 H LYS 31 -5.309 -8.841 -0.972 240 HA LYS 31 HA LYS 31 -6.694 -6.507 -1.418 241 1HB LYS 31 2HB LYS 31 -7.876 -9.184 -0.663 242 2HB LYS 31 1HB LYS 31 -8.772 -7.855 -1.380 243 1HG LYS 31 2HG LYS 31 -6.573 -9.458 -2.647 244 2HG LYS 31 1HG LYS 31 -8.281 -9.456 -3.075 245 1HD LYS 31 2HD LYS 31 -7.390 -6.780 -3.209 246 2HD LYS 31 1HD LYS 31 -6.177 -7.773 -4.022 247 1HE LYS 31 2HE LYS 31 -9.137 -7.856 -4.593 248 2HE LYS 31 1HE LYS 31 -7.954 -6.960 -5.542 249 1HZ LYS 31 1HZ LYS 31 -8.125 -8.918 -6.704 250 2HZ LYS 31 2HZ LYS 31 -8.331 -9.867 -5.320 251 3HZ LYS 31 3HZ LYS 31 -6.802 -9.257 -5.706 252 H GLN 32 H GLN 32 -6.854 -8.601 1.430 253 HA GLN 32 HA GLN 32 -8.710 -7.091 2.889 254 1HB GLN 32 2HB GLN 32 -8.039 -9.387 3.498 255 2HB GLN 32 1HB GLN 32 -6.444 -8.798 3.943 256 1HG GLN 32 2HG GLN 32 -7.744 -9.119 5.925 257 2HG GLN 32 1HG GLN 32 -7.472 -7.398 5.685 258 1HE2 GLN 32 1HE2 GLN 32 -9.764 -8.545 3.491 259 2HE2 GLN 32 2HE2 GLN 32 -11.182 -8.079 4.354 260 H PHE 33 H PHE 33 -5.209 -6.879 2.639 261 HA PHE 33 HA PHE 33 -4.618 -5.069 4.642 262 1HB PHE 33 2HB PHE 33 -3.011 -6.256 3.070 263 2HB PHE 33 1HB PHE 33 -3.398 -5.029 1.872 264 HD1 PHE 33 1HD PHE 33 -2.250 -5.310 5.400 265 HD2 PHE 33 2HD PHE 33 -2.027 -3.180 1.712 266 HE1 PHE 33 1HE PHE 33 -0.504 -3.854 6.340 267 HE2 PHE 33 2HE PHE 33 -0.278 -1.729 2.658 268 HZ PHE 33 HZ PHE 33 0.483 -2.072 4.977 269 H PHE 34 H PHE 34 -5.082 -4.234 1.250 270 HA PHE 34 HA PHE 34 -5.469 -1.464 1.748 271 1HB PHE 34 2HB PHE 34 -6.143 -3.077 -0.716 272 2HB PHE 34 1HB PHE 34 -6.059 -1.314 -0.633 273 HD1 PHE 34 1HD PHE 34 -3.745 -0.706 0.850 274 HD2 PHE 34 2HD PHE 34 -4.344 -3.890 -1.901 275 HE1 PHE 34 1HE PHE 34 -1.323 -0.813 0.459 276 HE2 PHE 34 2HE PHE 34 -1.919 -4.000 -2.307 277 HZ PHE 34 HZ PHE 34 -0.414 -2.461 -1.114 278 H ASN 35 H ASN 35 -7.689 -4.150 1.247 279 HA ASN 35 HA ASN 35 -10.105 -2.832 0.974 280 1HB ASN 35 2HB ASN 35 -9.890 -5.271 0.869 281 2HB ASN 35 1HB ASN 35 -9.494 -5.327 2.583 282 1HD2 ASN 35 1HD2 ASN 35 -11.789 -6.131 0.615 283 2HD2 ASN 35 2HD2 ASN 35 -13.203 -5.790 1.545 284 H ASP 36 H ASP 36 -8.181 -3.465 3.812 285 HA ASP 36 HA ASP 36 -10.094 -2.143 5.577 286 1HB ASP 36 2HB ASP 36 -7.529 -3.627 6.170 287 2HB ASP 36 1HB ASP 36 -8.547 -2.878 7.398 288 H ASN 37 H ASN 37 -7.067 -1.465 3.996 289 HA ASN 37 HA ASN 37 -6.404 0.726 5.773 290 1HB ASN 37 2HB ASN 37 -5.215 -0.062 3.101 291 2HB ASN 37 1HB ASN 37 -4.587 1.205 4.148 292 1HD2 ASN 37 1HD2 ASN 37 -3.560 -1.464 3.129 293 2HD2 ASN 37 2HD2 ASN 37 -2.970 -2.245 4.554 294 H GLY 38 H GLY 38 -7.647 0.279 2.523 295 1HA GLY 38 2HA GLY 38 -7.875 2.326 1.100 296 2HA GLY 38 1HA GLY 38 -9.380 1.601 1.602 297 H VAL 39 H VAL 39 -10.836 2.899 2.371 298 HA VAL 39 HA VAL 39 -10.271 5.663 2.701 299 HB VAL 39 HB VAL 39 -12.822 4.122 3.064 300 1HG1 VAL 39 1HG1 VAL 39 -13.630 6.640 2.553 301 2HG1 VAL 39 2HG1 VAL 39 -12.172 6.967 3.491 302 3HG1 VAL 39 3HG1 VAL 39 -13.463 5.982 4.181 303 1HG2 VAL 39 1HG2 VAL 39 -12.937 4.122 0.853 304 2HG2 VAL 39 2HG2 VAL 39 -11.373 4.930 0.763 305 3HG2 VAL 39 3HG2 VAL 39 -12.855 5.884 0.845 306 H ASP 40 H ASP 40 -11.683 3.316 5.034 307 HA ASP 40 HA ASP 40 -11.253 5.281 7.130 308 1HB ASP 40 2HB ASP 40 -12.605 2.580 7.201 309 2HB ASP 40 1HB ASP 40 -12.543 3.721 8.543 310 H GLY 41 H GLY 41 -8.983 3.760 5.871 311 1HA GLY 41 2HA GLY 41 -8.031 1.828 7.692 312 2HA GLY 41 1HA GLY 41 -7.041 2.743 6.570 313 H GLU 42 H GLU 42 -6.735 1.931 9.465 314 HA GLU 42 HA GLU 42 -6.626 4.498 10.829 315 1HB GLU 42 2HB GLU 42 -5.816 1.734 11.754 316 2HB GLU 42 1HB GLU 42 -5.828 3.174 12.762 317 1HG GLU 42 2HG GLU 42 -8.225 1.910 11.452 318 2HG GLU 42 1HG GLU 42 -7.790 1.801 13.158 319 H TRP 43 H TRP 43 -5.005 5.765 10.110 320 HA TRP 43 HA TRP 43 -2.304 4.572 10.007 321 1HB TRP 43 2HB TRP 43 -3.038 7.052 8.484 322 2HB TRP 43 1HB TRP 43 -1.685 5.967 8.228 323 HD1 TRP 43 HD TRP 43 -4.160 3.461 8.278 324 HE1 TRP 43 1HE TRP 43 -5.246 3.061 5.967 325 HE3 TRP 43 3HE TRP 43 -2.717 7.767 5.949 326 HZ2 TRP 43 2HZ TRP 43 -5.446 4.398 3.494 327 HZ3 TRP 43 3HZ TRP 43 -3.381 8.127 3.615 328 HH2 TRP 43 HH TRP 43 -4.720 6.478 2.409 329 H THR 44 H THR 44 -0.577 5.806 10.815 330 HA THR 44 HA THR 44 -1.354 8.153 12.420 331 HB THR 44 HB THR 44 0.478 7.550 13.975 332 HG1 THR 44 1HG THR 44 1.779 5.958 13.565 333 1HG2 THR 44 1HG2 THR 44 -0.719 6.093 15.215 334 2HG2 THR 44 2HG2 THR 44 -1.058 5.032 13.850 335 3HG2 THR 44 3HG2 THR 44 -1.968 6.528 14.051 336 H TYR 45 H TYR 45 0.088 9.924 12.437 337 HA TYR 45 HA TYR 45 2.048 9.861 10.238 338 1HB TYR 45 2HB TYR 45 0.143 11.394 9.900 339 2HB TYR 45 1HB TYR 45 0.567 12.237 11.385 340 HD1 TYR 45 1HD TYR 45 2.960 11.001 8.839 341 HD2 TYR 45 2HD TYR 45 1.003 14.387 10.513 342 HE1 TYR 45 1HE TYR 45 4.446 12.484 7.562 343 HE2 TYR 45 2HE TYR 45 2.486 15.880 9.240 344 HH TYR 45 HH TYR 45 3.902 15.881 7.327 345 H ASP 46 H ASP 46 4.094 10.666 10.516 346 HA ASP 46 HA ASP 46 4.847 11.449 13.253 347 1HB ASP 46 2HB ASP 46 5.642 9.179 12.765 348 2HB ASP 46 1HB ASP 46 6.448 9.764 11.312 349 H ASP 47 H ASP 47 4.657 13.647 12.662 350 HA ASP 47 HA ASP 47 5.653 14.977 10.501 351 1HB ASP 47 2HB ASP 47 5.783 15.954 13.362 352 2HB ASP 47 1HB ASP 47 5.820 16.964 11.921 353 H ALA 48 H ALA 48 7.468 13.903 13.329 354 HA ALA 48 HA ALA 48 9.844 15.228 13.015 355 1HB ALA 48 1HB ALA 48 10.838 13.607 14.363 356 2HB ALA 48 2HB ALA 48 9.803 12.322 13.740 357 3HB ALA 48 3HB ALA 48 9.133 13.552 14.813 358 H THR 49 H THR 49 8.668 12.512 11.126 359 HA THR 49 HA THR 49 11.054 12.782 9.420 360 HB THR 49 HB THR 49 10.934 10.354 8.961 361 HG1 THR 49 1HG THR 49 8.696 10.137 9.568 362 1HG2 THR 49 1HG2 THR 49 11.226 11.076 11.864 363 2HG2 THR 49 2HG2 THR 49 12.500 10.990 10.647 364 3HG2 THR 49 3HG2 THR 49 11.677 9.520 11.170 365 H LYS 50 H LYS 50 8.017 13.605 9.417 366 HA LYS 50 HA LYS 50 6.324 13.806 7.882 367 1HB LYS 50 2HB LYS 50 8.692 13.649 6.015 368 2HB LYS 50 1HB LYS 50 7.080 14.174 5.546 369 1HG LYS 50 2HG LYS 50 7.632 15.774 7.707 370 2HG LYS 50 1HG LYS 50 9.201 15.626 6.908 371 1HD LYS 50 2HD LYS 50 8.154 16.290 4.782 372 2HD LYS 50 1HD LYS 50 6.614 16.482 5.624 373 1HE LYS 50 2HE LYS 50 7.734 18.633 5.319 374 2HE LYS 50 1HE LYS 50 7.584 18.223 7.026 375 1HZ LYS 50 1HZ LYS 50 9.854 17.675 7.151 376 2HZ LYS 50 2HZ LYS 50 9.796 19.130 6.292 377 3HZ LYS 50 3HZ LYS 50 10.043 17.673 5.469 378 H THR 51 H THR 51 6.894 11.132 8.771 379 HA THR 51 HA THR 51 6.130 9.602 6.375 380 HB THR 51 HB THR 51 7.605 8.639 8.831 381 HG1 THR 51 1HG THR 51 8.771 9.934 7.225 382 1HG2 THR 51 1HG2 THR 51 7.030 6.585 8.266 383 2HG2 THR 51 2HG2 THR 51 7.899 6.808 6.749 384 3HG2 THR 51 3HG2 THR 51 6.174 7.163 6.837 385 H PHE 52 H PHE 52 4.417 8.243 6.468 386 HA PHE 52 HA PHE 52 2.752 8.360 8.901 387 1HB PHE 52 2HB PHE 52 1.815 7.824 6.075 388 2HB PHE 52 1HB PHE 52 0.811 8.130 7.485 389 HD1 PHE 52 1HD PHE 52 -0.174 10.188 7.581 390 HD2 PHE 52 2HD PHE 52 3.605 9.820 5.656 391 HE1 PHE 52 1HE PHE 52 -0.243 12.577 6.990 392 HE2 PHE 52 2HE PHE 52 3.547 12.209 5.076 393 HZ PHE 52 HZ PHE 52 1.621 13.589 5.742 394 H THR 53 H THR 53 1.744 6.422 9.608 395 HA THR 53 HA THR 53 2.702 3.980 8.279 396 HB THR 53 HB THR 53 2.494 2.967 10.670 397 HG1 THR 53 1HG THR 53 1.658 4.864 11.626 398 1HG2 THR 53 1HG2 THR 53 4.629 2.803 9.976 399 2HG2 THR 53 2HG2 THR 53 4.854 4.053 11.202 400 3HG2 THR 53 3HG2 THR 53 4.727 4.499 9.499 401 H VAL 54 H VAL 54 1.221 2.573 7.690 402 HA VAL 54 HA VAL 54 -1.546 3.004 8.588 403 HB VAL 54 HB VAL 54 -0.542 1.531 6.137 404 1HG1 VAL 54 1HG1 VAL 54 -3.152 2.003 5.664 405 2HG1 VAL 54 2HG1 VAL 54 -3.191 1.758 7.410 406 3HG1 VAL 54 3HG1 VAL 54 -2.536 0.504 6.358 407 1HG2 VAL 54 1HG2 VAL 54 -0.701 3.428 4.967 408 2HG2 VAL 54 2HG2 VAL 54 -0.663 4.246 6.529 409 3HG2 VAL 54 3HG2 VAL 54 -2.208 3.894 5.755 410 H THR 55 H THR 55 -1.916 1.758 10.327 411 HA THR 55 HA THR 55 -0.878 -0.977 10.350 412 HB THR 55 HB THR 55 -2.154 0.549 12.618 413 HG1 THR 55 1HG THR 55 0.557 0.245 11.861 414 1HG2 THR 55 1HG2 THR 55 -0.527 -1.978 12.551 415 2HG2 THR 55 2HG2 THR 55 -2.208 -1.800 13.056 416 3HG2 THR 55 3HG2 THR 55 -0.916 -1.080 14.019 417 H GLU 56 H GLU 56 -2.154 -2.571 9.724 418 HA GLU 56 HA GLU 56 -4.957 -2.202 9.333 419 1HB GLU 56 2HB GLU 56 -3.635 -3.653 7.870 420 2HB GLU 56 1HB GLU 56 -3.271 -4.710 9.226 421 1HG GLU 56 2HG GLU 56 -5.646 -5.257 9.432 422 2HG GLU 56 1HG GLU 56 -6.001 -4.207 8.062 423 1H MET 1 1HT MET 1 6.537 18.531 -3.079 424 2H MET 1 2HT MET 1 6.962 19.955 -2.272 425 3H MET 1 3HT MET 1 5.404 19.323 -2.103 426 HA MET 1 HA MET 1 7.933 18.373 -0.948 427 1HB MET 1 2HB MET 1 5.133 18.847 0.093 428 2HB MET 1 1HB MET 1 6.449 18.205 1.064 429 1HG MET 1 2HG MET 1 6.419 20.901 -0.271 430 2HG MET 1 1HG MET 1 6.093 20.594 1.434 431 1HE MET 1 1HE MET 1 8.341 18.248 2.001 432 2HE MET 1 2HE MET 1 7.821 19.542 3.078 433 3HE MET 1 3HE MET 1 9.536 19.316 2.736 434 H GLN 2 H GLN 2 8.308 16.273 -0.530 435 HA GLN 2 HA GLN 2 6.307 14.334 -1.475 436 1HB GLN 2 2HB GLN 2 8.426 14.269 -2.706 437 2HB GLN 2 1HB GLN 2 9.305 14.034 -1.201 438 1HG GLN 2 2HG GLN 2 8.170 11.892 -0.875 439 2HG GLN 2 1HG GLN 2 7.304 12.128 -2.393 440 1HE2 GLN 2 1HE2 GLN 2 8.118 10.987 -3.988 441 2HE2 GLN 2 2HE2 GLN 2 9.786 10.609 -4.229 442 H TYR 3 H TYR 3 5.805 12.539 -0.200 443 HA TYR 3 HA TYR 3 6.874 12.572 2.541 444 1HB TYR 3 2HB TYR 3 3.974 12.238 1.751 445 2HB TYR 3 1HB TYR 3 4.606 12.032 3.381 446 HD1 TYR 3 1HD TYR 3 4.712 13.861 4.827 447 HD2 TYR 3 2HD TYR 3 4.319 14.547 0.647 448 HE1 TYR 3 1HE TYR 3 4.386 16.259 5.259 449 HE2 TYR 3 2HE TYR 3 3.995 16.947 1.067 450 HH TYR 3 HH TYR 3 4.551 18.600 2.836 451 H LYS 4 H LYS 4 7.015 10.574 3.574 452 HA LYS 4 HA LYS 4 6.853 8.284 1.740 453 1HB LYS 4 2HB LYS 4 9.079 8.737 2.673 454 2HB LYS 4 1HB LYS 4 8.426 8.601 4.300 455 1HG LYS 4 2HG LYS 4 7.942 6.272 3.973 456 2HG LYS 4 1HG LYS 4 8.414 6.374 2.277 457 1HD LYS 4 2HD LYS 4 10.201 5.364 3.541 458 2HD LYS 4 1HD LYS 4 10.711 6.959 2.994 459 1HE LYS 4 2HE LYS 4 9.579 6.433 5.733 460 2HE LYS 4 1HE LYS 4 11.302 6.370 5.373 461 1HZ LYS 4 1HZ LYS 4 10.475 8.768 4.351 462 2HZ LYS 4 2HZ LYS 4 11.315 8.533 5.800 463 3HZ LYS 4 3HZ LYS 4 9.627 8.638 5.810 464 H VAL 5 H VAL 5 5.077 7.115 1.956 465 HA VAL 5 HA VAL 5 3.751 6.964 4.555 466 HB VAL 5 HB VAL 5 2.799 6.016 1.846 467 1HG1 VAL 5 1HG1 VAL 5 1.441 6.090 4.534 468 2HG1 VAL 5 2HG1 VAL 5 1.755 4.680 3.521 469 3HG1 VAL 5 3HG1 VAL 5 0.578 5.890 3.008 470 1HG2 VAL 5 1HG2 VAL 5 2.656 8.590 3.237 471 2HG2 VAL 5 2HG2 VAL 5 1.114 8.008 2.610 472 3HG2 VAL 5 3HG2 VAL 5 2.488 8.213 1.522 473 H ILE 6 H ILE 6 3.751 5.198 5.758 474 HA ILE 6 HA ILE 6 5.093 2.802 4.710 475 HB ILE 6 HB ILE 6 4.812 3.753 7.565 476 1HG1 ILE 6 2HG1 ILE 6 7.205 3.651 5.717 477 2HG1 ILE 6 1HG1 ILE 6 6.380 5.104 6.270 478 1HG2 ILE 6 1HG2 ILE 6 5.582 1.801 8.305 479 2HG2 ILE 6 2HG2 ILE 6 6.771 1.670 7.008 480 3HG2 ILE 6 3HG2 ILE 6 5.106 1.161 6.732 481 1HD1 ILE 6 1HD1 ILE 6 7.027 4.519 8.590 482 2HD1 ILE 6 2HD1 ILE 6 8.396 4.828 7.522 483 3HD1 ILE 6 3HD1 ILE 6 7.963 3.172 7.942 484 H LEU 7 H LEU 7 3.971 0.964 4.549 485 HA LEU 7 HA LEU 7 1.290 0.889 5.752 486 1HB LEU 7 2HB LEU 7 2.253 -0.883 3.519 487 2HB LEU 7 1HB LEU 7 0.603 -0.497 3.970 488 HG LEU 7 HG LEU 7 2.574 1.365 2.660 489 1HD1 LEU 7 1HD1 LEU 7 1.281 1.169 0.720 490 2HD1 LEU 7 2HD1 LEU 7 -0.054 0.401 1.579 491 3HD1 LEU 7 3HD1 LEU 7 1.447 -0.483 1.312 492 1HD2 LEU 7 1HD2 LEU 7 0.937 3.056 2.736 493 2HD2 LEU 7 2HD2 LEU 7 1.006 2.396 4.368 494 3HD2 LEU 7 3HD2 LEU 7 -0.311 1.938 3.288 495 H ASN 8 H ASN 8 1.673 0.031 7.736 496 HA ASN 8 HA ASN 8 3.098 -2.535 7.884 497 1HB ASN 8 2HB ASN 8 2.534 -0.416 9.938 498 2HB ASN 8 1HB ASN 8 3.014 -2.043 10.408 499 1HD2 ASN 8 1HD2 ASN 8 5.042 -1.926 11.048 500 2HD2 ASN 8 2HD2 ASN 8 6.331 -1.163 10.186 501 H GLY 9 H GLY 9 1.806 -4.244 7.756 502 1HA GLY 9 2HA GLY 9 -0.762 -4.140 9.219 503 2HA GLY 9 1HA GLY 9 -0.548 -5.025 7.715 504 H LYS 10 H LYS 10 -1.437 -6.795 9.084 505 HA LYS 10 HA LYS 10 0.365 -7.897 11.058 506 1HB LYS 10 2HB LYS 10 -2.206 -8.988 9.898 507 2HB LYS 10 1HB LYS 10 -1.314 -9.710 11.232 508 1HG LYS 10 2HG LYS 10 -1.683 -7.686 12.562 509 2HG LYS 10 1HG LYS 10 -2.596 -6.984 11.227 510 1HD LYS 10 2HD LYS 10 -3.305 -9.517 12.707 511 2HD LYS 10 1HD LYS 10 -4.077 -7.945 12.927 512 1HE LYS 10 2HE LYS 10 -4.040 -9.564 10.381 513 2HE LYS 10 1HE LYS 10 -5.407 -9.401 11.483 514 1HZ LYS 10 1HZ LYS 10 -5.346 -6.980 11.039 515 2HZ LYS 10 2HZ LYS 10 -5.706 -7.904 9.669 516 3HZ LYS 10 3HZ LYS 10 -4.159 -7.251 9.862 517 H THR 11 H THR 11 -1.015 -9.011 7.974 518 HA THR 11 HA THR 11 1.172 -10.924 7.686 519 HB THR 11 HB THR 11 -0.325 -11.699 5.735 520 HG1 THR 11 1HG THR 11 -2.587 -11.108 6.247 521 1HG2 THR 11 1HG2 THR 11 -1.082 -13.299 7.075 522 2HG2 THR 11 2HG2 THR 11 -2.015 -12.155 8.039 523 3HG2 THR 11 3HG2 THR 11 -0.309 -12.423 8.395 524 H LEU 12 H LEU 12 0.505 -7.809 6.806 525 HA LEU 12 HA LEU 12 2.278 -8.027 4.490 526 1HB LEU 12 2HB LEU 12 0.012 -7.877 3.616 527 2HB LEU 12 1HB LEU 12 -0.281 -6.433 4.564 528 HG LEU 12 HG LEU 12 1.248 -5.166 3.239 529 1HD1 LEU 12 1HD1 LEU 12 2.061 -6.753 1.149 530 2HD1 LEU 12 2HD1 LEU 12 2.237 -7.806 2.550 531 3HD1 LEU 12 3HD1 LEU 12 3.053 -6.249 2.518 532 1HD2 LEU 12 1HD2 LEU 12 -1.107 -6.186 2.295 533 2HD2 LEU 12 2HD2 LEU 12 0.020 -6.561 0.990 534 3HD2 LEU 12 3HD2 LEU 12 -0.173 -4.895 1.539 535 H LYS 13 H LYS 13 3.799 -6.507 4.344 536 HA LYS 13 HA LYS 13 3.581 -4.040 5.883 537 1HB LYS 13 2HB LYS 13 5.880 -5.974 6.240 538 2HB LYS 13 1HB LYS 13 5.807 -4.349 6.908 539 1HG LYS 13 2HG LYS 13 3.865 -4.985 8.250 540 2HG LYS 13 1HG LYS 13 3.944 -6.618 7.583 541 1HD LYS 13 2HD LYS 13 6.093 -5.263 9.217 542 2HD LYS 13 1HD LYS 13 4.982 -6.507 9.797 543 1HE LYS 13 2HE LYS 13 5.907 -8.083 8.163 544 2HE LYS 13 1HE LYS 13 7.020 -6.838 7.594 545 1HZ LYS 13 1HZ LYS 13 8.254 -8.121 9.080 546 2HZ LYS 13 2HZ LYS 13 6.998 -8.219 10.208 547 3HZ LYS 13 3HZ LYS 13 7.821 -6.760 9.987 548 H GLY 14 H GLY 14 4.921 -2.357 5.102 549 1HA GLY 14 2HA GLY 14 6.971 -2.715 3.213 550 2HA GLY 14 1HA GLY 14 5.468 -2.448 2.350 551 H GLU 15 H GLU 15 6.882 -0.622 1.588 552 HA GLU 15 HA GLU 15 6.252 1.746 3.190 553 1HB GLU 15 2HB GLU 15 8.950 1.222 1.924 554 2HB GLU 15 1HB GLU 15 8.459 2.733 2.676 555 1HG GLU 15 2HG GLU 15 9.767 1.639 4.274 556 2HG GLU 15 1HG GLU 15 8.101 1.401 4.798 557 H THR 16 H THR 16 5.963 3.661 1.975 558 HA THR 16 HA THR 16 6.170 3.536 -0.907 559 HB THR 16 HB THR 16 4.042 2.628 -0.896 560 HG1 THR 16 1HG THR 16 3.439 5.362 -0.698 561 1HG2 THR 16 1HG2 THR 16 2.214 3.299 0.590 562 2HG2 THR 16 2HG2 THR 16 3.324 4.365 1.447 563 3HG2 THR 16 3HG2 THR 16 3.585 2.624 1.471 564 H THR 17 H THR 17 5.402 5.694 -1.897 565 HA THR 17 HA THR 17 5.686 7.923 -0.022 566 HB THR 17 HB THR 17 7.393 8.985 -1.490 567 HG1 THR 17 1HG THR 17 7.375 6.434 -2.720 568 1HG2 THR 17 1HG2 THR 17 9.291 7.420 -0.925 569 2HG2 THR 17 2HG2 THR 17 8.074 6.364 -0.206 570 3HG2 THR 17 3HG2 THR 17 8.312 7.993 0.425 571 H THR 18 H THR 18 4.210 9.402 -0.407 572 HA THR 18 HA THR 18 3.096 9.692 -3.133 573 HB THR 18 HB THR 18 1.491 8.968 -1.344 574 HG1 THR 18 1HG THR 18 0.820 10.215 -3.162 575 1HG2 THR 18 1HG2 THR 18 0.921 11.408 -0.106 576 2HG2 THR 18 2HG2 THR 18 2.651 11.142 0.108 577 3HG2 THR 18 3HG2 THR 18 1.497 9.922 0.648 578 H GLU 19 H GLU 19 2.870 11.780 -3.985 579 HA GLU 19 HA GLU 19 4.443 13.845 -2.594 580 1HB GLU 19 2HB GLU 19 5.320 13.193 -4.791 581 2HB GLU 19 1HB GLU 19 3.773 13.577 -5.532 582 1HG GLU 19 2HG GLU 19 4.048 15.919 -4.913 583 2HG GLU 19 1HG GLU 19 5.593 15.539 -4.154 584 H ALA 20 H ALA 20 3.286 15.415 -1.643 585 HA ALA 20 HA ALA 20 0.966 16.501 -3.025 586 1HB ALA 20 1HB ALA 20 0.570 15.853 -0.148 587 2HB ALA 20 2HB ALA 20 0.384 14.569 -1.344 588 3HB ALA 20 3HB ALA 20 -0.615 16.019 -1.444 589 H VAL 21 H VAL 21 0.372 18.554 -2.371 590 HA VAL 21 HA VAL 21 2.351 20.350 -1.743 591 HB VAL 21 HB VAL 21 -0.570 20.751 -1.092 592 1HG1 VAL 21 1HG1 VAL 21 0.987 22.451 -0.199 593 2HG1 VAL 21 2HG1 VAL 21 -0.129 23.097 -1.402 594 3HG1 VAL 21 3HG1 VAL 21 1.547 22.762 -1.843 595 1HG2 VAL 21 1HG2 VAL 21 -0.572 21.804 -3.418 596 2HG2 VAL 21 2HG2 VAL 21 -0.558 20.041 -3.326 597 3HG2 VAL 21 3HG2 VAL 21 0.928 20.918 -3.688 598 H ASP 22 H ASP 22 0.509 18.414 0.461 599 HA ASP 22 HA ASP 22 2.191 19.225 2.646 600 1HB ASP 22 2HB ASP 22 0.436 20.027 4.136 601 2HB ASP 22 1HB ASP 22 0.524 21.031 2.695 602 H ALA 23 H ALA 23 1.302 18.159 4.776 603 HA ALA 23 HA ALA 23 1.351 15.395 4.381 604 1HB ALA 23 1HB ALA 23 0.962 17.192 6.682 605 2HB ALA 23 2HB ALA 23 2.040 15.809 6.487 606 3HB ALA 23 3HB ALA 23 0.338 15.554 6.872 607 H ALA 24 H ALA 24 -1.378 17.563 4.983 608 HA ALA 24 HA ALA 24 -3.340 15.548 5.228 609 1HB ALA 24 1HB ALA 24 -3.282 18.431 5.075 610 2HB ALA 24 2HB ALA 24 -4.480 17.374 5.821 611 3HB ALA 24 3HB ALA 24 -4.609 17.783 4.111 612 H THR 25 H THR 25 -2.410 17.567 2.423 613 HA THR 25 HA THR 25 -4.074 16.404 0.538 614 HB THR 25 HB THR 25 -2.353 17.134 -1.114 615 HG1 THR 25 1HG THR 25 -0.852 17.405 1.222 616 1HG2 THR 25 1HG2 THR 25 -3.881 18.833 -0.465 617 2HG2 THR 25 2HG2 THR 25 -2.266 19.541 -0.485 618 3HG2 THR 25 3HG2 THR 25 -3.019 19.104 1.049 619 H ALA 26 H ALA 26 -0.812 15.491 1.594 620 HA ALA 26 HA ALA 26 -0.451 13.282 -0.095 621 1HB ALA 26 1HB ALA 26 0.637 13.004 2.625 622 2HB ALA 26 2HB ALA 26 1.068 14.503 1.805 623 3HB ALA 26 3HB ALA 26 1.458 12.950 1.065 624 H GLU 27 H GLU 27 -1.700 13.479 3.238 625 HA GLU 27 HA GLU 27 -2.359 10.831 3.619 626 1HB GLU 27 2HB GLU 27 -2.467 12.310 5.462 627 2HB GLU 27 1HB GLU 27 -3.603 13.367 4.644 628 1HG GLU 27 2HG GLU 27 -4.326 10.547 5.336 629 2HG GLU 27 1HG GLU 27 -4.462 11.848 6.518 630 H LYS 28 H LYS 28 -4.315 13.421 2.173 631 HA LYS 28 HA LYS 28 -6.601 11.838 1.685 632 1HB LYS 28 2HB LYS 28 -5.622 14.338 0.294 633 2HB LYS 28 1HB LYS 28 -7.220 13.634 0.078 634 1HG LYS 28 2HG LYS 28 -6.090 14.738 2.641 635 2HG LYS 28 1HG LYS 28 -7.315 15.492 1.619 636 1HD LYS 28 2HD LYS 28 -8.808 13.588 2.022 637 2HD LYS 28 1HD LYS 28 -7.587 12.860 3.069 638 1HE LYS 28 2HE LYS 28 -7.725 14.770 4.578 639 2HE LYS 28 1HE LYS 28 -8.914 15.533 3.521 640 1HZ LYS 28 1HZ LYS 28 -10.434 13.726 3.953 641 2HZ LYS 28 2HZ LYS 28 -9.942 14.416 5.418 642 3HZ LYS 28 3HZ LYS 28 -9.288 12.938 4.918 643 H VAL 29 H VAL 29 -3.891 12.797 -0.410 644 HA VAL 29 HA VAL 29 -4.681 11.488 -2.730 645 HB VAL 29 HB VAL 29 -1.855 11.844 -1.707 646 1HG1 VAL 29 1HG1 VAL 29 -1.418 10.492 -3.458 647 2HG1 VAL 29 2HG1 VAL 29 -1.652 11.970 -4.389 648 3HG1 VAL 29 3HG1 VAL 29 -2.972 10.811 -4.230 649 1HG2 VAL 29 1HG2 VAL 29 -1.908 13.993 -2.339 650 2HG2 VAL 29 2HG2 VAL 29 -3.661 13.821 -2.242 651 3HG2 VAL 29 3HG2 VAL 29 -2.841 13.643 -3.793 652 H VAL 30 H VAL 30 -2.930 10.300 0.082 653 HA VAL 30 HA VAL 30 -2.363 7.715 -0.897 654 HB VAL 30 HB VAL 30 -2.838 8.586 1.963 655 1HG1 VAL 30 1HG1 VAL 30 -1.231 6.223 1.022 656 2HG1 VAL 30 2HG1 VAL 30 -2.933 6.101 1.464 657 3HG1 VAL 30 3HG1 VAL 30 -1.746 6.610 2.663 658 1HG2 VAL 30 1HG2 VAL 30 -0.900 9.502 0.285 659 2HG2 VAL 30 2HG2 VAL 30 -0.099 8.123 1.038 660 3HG2 VAL 30 3HG2 VAL 30 -0.756 9.417 2.040 661 H LYS 31 H LYS 31 -5.106 9.019 0.988 662 HA LYS 31 HA LYS 31 -6.554 6.720 1.414 663 1HB LYS 31 2HB LYS 31 -7.660 9.427 0.643 664 2HB LYS 31 1HB LYS 31 -8.597 8.118 1.347 665 1HG LYS 31 2HG LYS 31 -6.378 9.668 2.645 666 2HG LYS 31 1HG LYS 31 -8.090 9.708 3.049 667 1HD LYS 31 2HD LYS 31 -7.268 7.010 3.194 668 2HD LYS 31 1HD LYS 31 -6.043 7.975 4.025 669 1HE LYS 31 2HE LYS 31 -9.008 8.130 4.554 670 2HE LYS 31 1HE LYS 31 -7.859 7.205 5.521 671 1HZ LYS 31 1HZ LYS 31 -7.999 9.166 6.680 672 2HZ LYS 31 2HZ LYS 31 -8.163 10.122 5.293 673 3HZ LYS 31 3HZ LYS 31 -6.655 9.474 5.700 674 H GLN 32 H GLN 32 -6.622 8.818 -1.436 675 HA GLN 32 HA GLN 32 -8.493 7.353 -2.921 676 1HB GLN 32 2HB GLN 32 -7.759 9.631 -3.521 677 2HB GLN 32 1HB GLN 32 -6.172 9.003 -3.943 678 1HG GLN 32 2HG GLN 32 -7.435 9.357 -5.942 679 2HG GLN 32 1HG GLN 32 -7.208 7.628 -5.698 680 1HE2 GLN 32 1HE2 GLN 32 -9.504 8.832 -3.538 681 2HE2 GLN 32 2HE2 GLN 32 -10.919 8.400 -4.420 682 H PHE 33 H PHE 33 -5.003 7.056 -2.621 683 HA PHE 33 HA PHE 33 -4.428 5.231 -4.617 684 1HB PHE 33 2HB PHE 33 -2.815 6.378 -3.023 685 2HB PHE 33 1HB PHE 33 -3.249 5.162 -1.829 686 HD1 PHE 33 1HD PHE 33 -2.044 5.415 -5.342 687 HD2 PHE 33 2HD PHE 33 -1.923 3.281 -1.651 688 HE1 PHE 33 1HE PHE 33 -0.320 3.916 -6.257 689 HE2 PHE 33 2HE PHE 33 -0.199 1.789 -2.572 690 HZ PHE 33 HZ PHE 33 0.604 2.112 -4.880 691 H PHE 34 H PHE 34 -4.959 4.409 -1.231 692 HA PHE 34 HA PHE 34 -5.407 1.649 -1.734 693 1HB PHE 34 2HB PHE 34 -6.076 3.279 0.718 694 2HB PHE 34 1HB PHE 34 -6.034 1.516 0.638 695 HD1 PHE 34 1HD PHE 34 -3.715 0.849 -0.813 696 HD2 PHE 34 2HD PHE 34 -4.274 4.048 1.931 697 HE1 PHE 34 1HE PHE 34 -1.297 0.897 -0.389 698 HE2 PHE 34 2HE PHE 34 -1.853 4.098 2.370 699 HZ PHE 34 HZ PHE 34 -0.369 2.524 1.198 700 H ASN 35 H ASN 35 -7.566 4.389 -1.265 701 HA ASN 35 HA ASN 35 -10.019 3.129 -1.027 702 1HB ASN 35 2HB ASN 35 -9.746 5.562 -0.918 703 2HB ASN 35 1HB ASN 35 -9.323 5.609 -2.627 704 1HD2 ASN 35 1HD2 ASN 35 -11.626 6.469 -0.691 705 2HD2 ASN 35 2HD2 ASN 35 -13.034 6.162 -1.642 706 H ASP 36 H ASP 36 -8.038 3.715 -3.837 707 HA ASP 36 HA ASP 36 -9.958 2.440 -5.630 708 1HB ASP 36 2HB ASP 36 -7.351 3.860 -6.186 709 2HB ASP 36 1HB ASP 36 -8.369 3.136 -7.428 710 H ASN 37 H ASN 37 -6.972 1.688 -4.006 711 HA ASN 37 HA ASN 37 -6.337 -0.518 -5.774 712 1HB ASN 37 2HB ASN 37 -5.167 0.240 -3.085 713 2HB ASN 37 1HB ASN 37 -4.556 -1.041 -4.123 714 1HD2 ASN 37 1HD2 ASN 37 -3.479 1.603 -3.090 715 2HD2 ASN 37 2HD2 ASN 37 -2.852 2.369 -4.507 716 H GLY 38 H GLY 38 -7.616 -0.040 -2.541 717 1HA GLY 38 2HA GLY 38 -7.912 -2.082 -1.121 718 2HA GLY 38 1HA GLY 38 -9.391 -1.320 -1.646 719 H VAL 39 H VAL 39 -10.869 -2.583 -2.435 720 HA VAL 39 HA VAL 39 -10.366 -5.360 -2.758 721 HB VAL 39 HB VAL 39 -12.874 -3.756 -3.156 722 1HG1 VAL 39 1HG1 VAL 39 -13.750 -6.255 -2.658 723 2HG1 VAL 39 2HG1 VAL 39 -12.288 -6.618 -3.574 724 3HG1 VAL 39 3HG1 VAL 39 -13.544 -5.601 -4.282 725 1HG2 VAL 39 1HG2 VAL 39 -13.020 -3.754 -0.947 726 2HG2 VAL 39 2HG2 VAL 39 -11.477 -4.599 -0.835 727 3HG2 VAL 39 3HG2 VAL 39 -12.980 -5.517 -0.938 728 H ASP 40 H ASP 40 -11.689 -2.979 -5.110 729 HA ASP 40 HA ASP 40 -11.277 -4.955 -7.200 730 1HB ASP 40 2HB ASP 40 -12.561 -2.222 -7.291 731 2HB ASP 40 1HB ASP 40 -12.508 -3.364 -8.630 732 H GLY 41 H GLY 41 -8.988 -3.489 -5.909 733 1HA GLY 41 2HA GLY 41 -7.965 -1.580 -7.715 734 2HA GLY 41 1HA GLY 41 -7.013 -2.520 -6.580 735 H GLU 42 H GLU 42 -6.646 -1.715 -9.470 736 HA GLU 42 HA GLU 42 -6.580 -4.285 -10.833 737 1HB GLU 42 2HB GLU 42 -5.690 -1.542 -11.745 738 2HB GLU 42 1HB GLU 42 -5.722 -2.982 -12.754 739 1HG GLU 42 2HG GLU 42 -8.107 -1.659 -11.479 740 2HG GLU 42 1HG GLU 42 -7.644 -1.561 -13.178 741 H TRP 43 H TRP 43 -5.001 -5.592 -10.092 742 HA TRP 43 HA TRP 43 -2.273 -4.465 -9.951 743 1HB TRP 43 2HB TRP 43 -3.089 -6.925 -8.438 744 2HB TRP 43 1HB TRP 43 -1.713 -5.874 -8.162 745 HD1 TRP 43 HD TRP 43 -4.126 -3.308 -8.247 746 HE1 TRP 43 1HE TRP 43 -5.235 -2.882 -5.953 747 HE3 TRP 43 3HE TRP 43 -2.821 -7.647 -5.898 748 HZ2 TRP 43 2HZ TRP 43 -5.501 -4.213 -3.482 749 HZ3 TRP 43 3HZ TRP 43 -3.526 -7.990 -3.574 750 HH2 TRP 43 HH TRP 43 -4.841 -6.309 -2.387 751 H THR 44 H THR 44 -0.564 -5.740 -10.734 752 HA THR 44 HA THR 44 -1.376 -8.067 -12.350 753 HB THR 44 HB THR 44 0.491 -7.509 -13.880 754 HG1 THR 44 1HG THR 44 1.826 -5.950 -13.450 755 1HG2 THR 44 1HG2 THR 44 -0.651 -6.024 -15.136 756 2HG2 THR 44 2HG2 THR 44 -0.985 -4.954 -13.774 757 3HG2 THR 44 3HG2 THR 44 -1.929 -6.430 -13.989 758 H TYR 45 H TYR 45 0.022 -9.872 -12.346 759 HA TYR 45 HA TYR 45 1.952 -9.858 -10.120 760 1HB TYR 45 2HB TYR 45 0.007 -11.343 -9.808 761 2HB TYR 45 1HB TYR 45 0.430 -12.196 -11.289 762 HD1 TYR 45 1HD TYR 45 2.817 -11.018 -8.709 763 HD2 TYR 45 2HD TYR 45 0.802 -14.356 -10.410 764 HE1 TYR 45 1HE TYR 45 4.247 -12.537 -7.411 765 HE2 TYR 45 2HE TYR 45 2.230 -15.884 -9.117 766 HH TYR 45 HH TYR 45 3.617 -15.920 -7.184 767 H ASP 46 H ASP 46 3.981 -10.711 -10.369 768 HA ASP 46 HA ASP 46 4.755 -11.513 -13.097 769 1HB ASP 46 2HB ASP 46 5.597 -9.264 -12.595 770 2HB ASP 46 1HB ASP 46 6.368 -9.868 -11.132 771 H ASP 47 H ASP 47 4.501 -13.706 -12.508 772 HA ASP 47 HA ASP 47 5.435 -15.061 -10.334 773 1HB ASP 47 2HB ASP 47 5.582 -16.039 -13.192 774 2HB ASP 47 1HB ASP 47 5.574 -17.050 -11.751 775 H ALA 48 H ALA 48 7.315 -14.028 -13.135 776 HA ALA 48 HA ALA 48 9.652 -15.412 -12.787 777 1HB ALA 48 1HB ALA 48 10.705 -13.817 -14.120 778 2HB ALA 48 2HB ALA 48 9.694 -12.507 -13.512 779 3HB ALA 48 3HB ALA 48 9.010 -13.719 -14.594 780 H THR 49 H THR 49 8.517 -12.667 -10.915 781 HA THR 49 HA THR 49 10.872 -12.994 -9.176 782 HB THR 49 HB THR 49 10.805 -10.564 -8.717 783 HG1 THR 49 1HG THR 49 8.581 -10.295 -9.357 784 1HG2 THR 49 1HG2 THR 49 11.119 -11.295 -11.617 785 2HG2 THR 49 2HG2 THR 49 12.378 -11.238 -10.382 786 3HG2 THR 49 3HG2 THR 49 11.599 -9.750 -10.915 787 H LYS 50 H LYS 50 7.817 -13.744 -9.215 788 HA LYS 50 HA LYS 50 6.098 -13.905 -7.704 789 1HB LYS 50 2HB LYS 50 8.441 -13.805 -5.804 790 2HB LYS 50 1HB LYS 50 6.812 -14.290 -5.359 791 1HG LYS 50 2HG LYS 50 7.355 -15.904 -7.510 792 2HG LYS 50 1HG LYS 50 8.915 -15.794 -6.690 793 1HD LYS 50 2HD LYS 50 7.823 -16.432 -4.580 794 2HD LYS 50 1HD LYS 50 6.291 -16.586 -5.443 795 1HE LYS 50 2HE LYS 50 7.353 -18.764 -5.123 796 2HE LYS 50 1HE LYS 50 7.238 -18.350 -6.832 797 1HZ LYS 50 1HZ LYS 50 9.521 -17.857 -6.923 798 2HZ LYS 50 2HZ LYS 50 9.416 -19.312 -6.066 799 3HZ LYS 50 3HZ LYS 50 9.687 -17.861 -5.240 800 H THR 51 H THR 51 6.747 -11.245 -8.584 801 HA THR 51 HA THR 51 5.985 -9.696 -6.200 802 HB THR 51 HB THR 51 7.518 -8.770 -8.636 803 HG1 THR 51 1HG THR 51 8.628 -10.092 -7.011 804 1HG2 THR 51 1HG2 THR 51 6.984 -6.703 -8.077 805 2HG2 THR 51 2HG2 THR 51 7.825 -6.946 -6.546 806 3HG2 THR 51 3HG2 THR 51 6.094 -7.260 -6.662 807 H PHE 52 H PHE 52 4.307 -8.296 -6.316 808 HA PHE 52 HA PHE 52 2.674 -8.373 -8.774 809 1HB PHE 52 2HB PHE 52 1.710 -7.814 -5.960 810 2HB PHE 52 1HB PHE 52 0.720 -8.096 -7.384 811 HD1 PHE 52 1HD PHE 52 -0.314 -10.129 -7.494 812 HD2 PHE 52 2HD PHE 52 3.445 -9.854 -5.515 813 HE1 PHE 52 1HE PHE 52 -0.450 -12.515 -6.906 814 HE2 PHE 52 2HE PHE 52 3.320 -12.239 -4.937 815 HZ PHE 52 HZ PHE 52 1.372 -13.574 -5.632 816 H THR 53 H THR 53 1.724 -6.410 -9.494 817 HA THR 53 HA THR 53 2.721 -3.992 -8.152 818 HB THR 53 HB THR 53 2.572 -2.977 -10.544 819 HG1 THR 53 1HG THR 53 1.703 -4.853 -11.513 820 1HG2 THR 53 1HG2 THR 53 4.700 -2.863 -9.820 821 2HG2 THR 53 2HG2 THR 53 4.911 -4.120 -11.043 822 3HG2 THR 53 3HG2 THR 53 4.750 -4.561 -9.343 823 H VAL 54 H VAL 54 1.267 -2.552 -7.583 824 HA VAL 54 HA VAL 54 -1.497 -2.915 -8.520 825 HB VAL 54 HB VAL 54 -0.492 -1.466 -6.057 826 1HG1 VAL 54 1HG1 VAL 54 -3.120 -1.874 -5.620 827 2HG1 VAL 54 2HG1 VAL 54 -3.128 -1.628 -7.366 828 3HG1 VAL 54 3HG1 VAL 54 -2.457 -0.390 -6.304 829 1HG2 VAL 54 1HG2 VAL 54 -0.714 -3.358 -4.888 830 2HG2 VAL 54 2HG2 VAL 54 -0.674 -4.177 -6.449 831 3HG2 VAL 54 3HG2 VAL 54 -2.221 -3.787 -5.697 832 H THR 55 H THR 55 -1.811 -1.661 -10.264 833 HA THR 55 HA THR 55 -0.707 1.048 -10.272 834 HB THR 55 HB THR 55 -1.988 -0.446 -12.558 835 HG1 THR 55 1HG THR 55 0.718 -0.209 -11.762 836 1HG2 THR 55 1HG2 THR 55 -0.301 2.043 -12.467 837 2HG2 THR 55 2HG2 THR 55 -1.979 1.903 -12.996 838 3HG2 THR 55 3HG2 THR 55 -0.692 1.152 -13.940 839 H GLU 56 H GLU 56 -1.954 2.674 -9.664 840 HA GLU 56 HA GLU 56 -4.770 2.373 -9.311 841 1HB GLU 56 2HB GLU 56 -3.433 3.790 -7.830 842 2HB GLU 56 1HB GLU 56 -3.026 4.840 -9.181 843 1HG GLU 56 2HG GLU 56 -5.383 5.444 -9.420 844 2HG GLU 56 1HG GLU 56 -5.782 4.401 -8.056 Start of MODEL 13 1 1H MET 1 1HT MET 1 6.352 -19.999 1.731 2 2H MET 1 2HT MET 1 5.116 -18.857 1.555 3 3H MET 1 3HT MET 1 6.146 -18.786 2.894 4 HA MET 1 HA MET 1 8.021 -18.268 1.493 5 1HB MET 1 2HB MET 1 7.209 -19.549 -0.457 6 2HB MET 1 1HB MET 1 5.959 -18.343 -0.725 7 1HG MET 1 2HG MET 1 7.787 -18.016 -2.261 8 2HG MET 1 1HG MET 1 7.678 -16.658 -1.144 9 1HE MET 1 1HE MET 1 9.818 -16.756 -2.832 10 2HE MET 1 2HE MET 1 11.389 -17.341 -2.281 11 3HE MET 1 3HE MET 1 10.660 -15.927 -1.522 12 H GLN 2 H GLN 2 8.455 -16.084 0.694 13 HA GLN 2 HA GLN 2 6.470 -14.180 1.708 14 1HB GLN 2 2HB GLN 2 8.686 -14.067 2.753 15 2HB GLN 2 1HB GLN 2 9.428 -13.827 1.177 16 1HG GLN 2 2HG GLN 2 8.243 -11.707 0.937 17 2HG GLN 2 1HG GLN 2 7.493 -11.949 2.515 18 1HE2 GLN 2 1HE2 GLN 2 9.864 -10.345 0.979 19 2HE2 GLN 2 2HE2 GLN 2 10.972 -10.108 2.283 20 H TYR 3 H TYR 3 5.699 -12.529 0.446 21 HA TYR 3 HA TYR 3 6.574 -12.507 -2.363 22 1HB TYR 3 2HB TYR 3 3.746 -12.317 -1.310 23 2HB TYR 3 1HB TYR 3 4.205 -12.019 -2.987 24 HD1 TYR 3 1HD TYR 3 4.162 -13.782 -4.494 25 HD2 TYR 3 2HD TYR 3 4.484 -14.641 -0.340 26 HE1 TYR 3 1HE TYR 3 3.997 -16.186 -4.986 27 HE2 TYR 3 2HE TYR 3 4.316 -17.049 -0.818 28 HH TYR 3 HH TYR 3 3.397 -18.251 -3.892 29 H LYS 4 H LYS 4 6.699 -10.535 -3.382 30 HA LYS 4 HA LYS 4 6.518 -8.213 -1.581 31 1HB LYS 4 2HB LYS 4 8.774 -8.728 -2.384 32 2HB LYS 4 1HB LYS 4 8.215 -8.623 -4.047 33 1HG LYS 4 2HG LYS 4 7.716 -6.256 -3.742 34 2HG LYS 4 1HG LYS 4 8.249 -6.357 -2.061 35 1HD LYS 4 2HD LYS 4 10.491 -6.996 -2.815 36 2HD LYS 4 1HD LYS 4 9.957 -6.891 -4.493 37 1HE LYS 4 2HE LYS 4 9.476 -4.513 -4.188 38 2HE LYS 4 1HE LYS 4 10.002 -4.619 -2.509 39 1HZ LYS 4 1HZ LYS 4 12.204 -4.960 -3.146 40 2HZ LYS 4 2HZ LYS 4 11.664 -3.759 -4.206 41 3HZ LYS 4 3HZ LYS 4 11.796 -5.358 -4.740 42 H VAL 5 H VAL 5 4.744 -7.034 -1.911 43 HA VAL 5 HA VAL 5 3.614 -6.900 -4.604 44 HB VAL 5 HB VAL 5 2.467 -5.882 -1.998 45 1HG1 VAL 5 1HG1 VAL 5 1.449 -4.575 -3.621 46 2HG1 VAL 5 2HG1 VAL 5 0.335 -5.931 -3.459 47 3HG1 VAL 5 3HG1 VAL 5 1.461 -5.873 -4.815 48 1HG2 VAL 5 1HG2 VAL 5 2.150 -8.082 -1.654 49 2HG2 VAL 5 2HG2 VAL 5 2.390 -8.487 -3.354 50 3HG2 VAL 5 3HG2 VAL 5 0.831 -7.877 -2.804 51 H ILE 6 H ILE 6 3.610 -5.118 -5.813 52 HA ILE 6 HA ILE 6 5.024 -2.763 -4.768 53 HB ILE 6 HB ILE 6 4.668 -3.727 -7.608 54 1HG1 ILE 6 2HG1 ILE 6 7.127 -3.454 -5.868 55 2HG1 ILE 6 1HG1 ILE 6 6.329 -4.967 -6.283 56 1HG2 ILE 6 1HG2 ILE 6 6.533 -1.743 -7.729 57 2HG2 ILE 6 2HG2 ILE 6 5.395 -1.099 -6.546 58 3HG2 ILE 6 3HG2 ILE 6 4.830 -1.562 -8.153 59 1HD1 ILE 6 1HD1 ILE 6 7.590 -3.093 -8.269 60 2HD1 ILE 6 2HD1 ILE 6 6.907 -4.685 -8.600 61 3HD1 ILE 6 3HD1 ILE 6 8.357 -4.535 -7.608 62 H LEU 7 H LEU 7 3.883 -0.990 -4.408 63 HA LEU 7 HA LEU 7 1.215 -0.760 -5.601 64 1HB LEU 7 2HB LEU 7 2.340 0.915 -3.363 65 2HB LEU 7 1HB LEU 7 0.659 0.679 -3.800 66 HG LEU 7 HG LEU 7 2.479 -1.363 -2.546 67 1HD1 LEU 7 1HD1 LEU 7 1.457 0.550 -1.175 68 2HD1 LEU 7 2HD1 LEU 7 1.242 -1.101 -0.596 69 3HD1 LEU 7 3HD1 LEU 7 -0.079 -0.278 -1.428 70 1HD2 LEU 7 1HD2 LEU 7 0.759 -2.942 -2.689 71 2HD2 LEU 7 2HD2 LEU 7 0.802 -2.202 -4.287 72 3HD2 LEU 7 3HD2 LEU 7 -0.441 -1.728 -3.130 73 H ASN 8 H ASN 8 1.901 -0.066 -7.622 74 HA ASN 8 HA ASN 8 3.449 2.388 -7.835 75 1HB ASN 8 2HB ASN 8 3.905 0.429 -9.303 76 2HB ASN 8 1HB ASN 8 2.313 0.639 -10.024 77 1HD2 ASN 8 1HD2 ASN 8 5.400 1.085 -10.633 78 2HD2 ASN 8 2HD2 ASN 8 5.352 2.511 -11.610 79 H GLY 9 H GLY 9 2.244 4.141 -7.357 80 1HA GLY 9 2HA GLY 9 -0.254 4.513 -8.893 81 2HA GLY 9 1HA GLY 9 -0.011 5.155 -7.275 82 H LYS 10 H LYS 10 -0.716 6.623 -9.662 83 HA LYS 10 HA LYS 10 1.381 7.936 -10.882 84 1HB LYS 10 2HB LYS 10 -1.393 8.879 -10.192 85 2HB LYS 10 1HB LYS 10 -0.270 9.875 -11.101 86 1HG LYS 10 2HG LYS 10 -1.779 8.748 -12.601 87 2HG LYS 10 1HG LYS 10 -0.142 8.135 -12.827 88 1HD LYS 10 2HD LYS 10 -0.661 6.154 -11.550 89 2HD LYS 10 1HD LYS 10 -2.260 6.786 -11.157 90 1HE LYS 10 2HE LYS 10 -2.381 5.136 -12.950 91 2HE LYS 10 1HE LYS 10 -2.869 6.732 -13.519 92 1HZ LYS 10 1HZ LYS 10 -0.259 5.396 -13.986 93 2HZ LYS 10 2HZ LYS 10 -0.590 7.000 -14.408 94 3HZ LYS 10 3HZ LYS 10 -1.449 5.740 -15.139 95 H THR 11 H THR 11 -0.389 8.982 -7.979 96 HA THR 11 HA THR 11 1.657 10.984 -7.436 97 HB THR 11 HB THR 11 -0.015 11.575 -5.565 98 HG1 THR 11 1HG THR 11 -1.786 10.096 -7.189 99 1HG2 THR 11 1HG2 THR 11 -0.320 12.023 -8.458 100 2HG2 THR 11 2HG2 THR 11 -0.190 13.179 -7.134 101 3HG2 THR 11 3HG2 THR 11 -1.728 12.377 -7.457 102 H LEU 12 H LEU 12 0.964 7.812 -6.595 103 HA LEU 12 HA LEU 12 2.705 8.033 -4.247 104 1HB LEU 12 2HB LEU 12 0.431 7.832 -3.410 105 2HB LEU 12 1HB LEU 12 0.155 6.426 -4.417 106 HG LEU 12 HG LEU 12 1.572 5.074 -3.100 107 1HD1 LEU 12 1HD1 LEU 12 2.604 6.426 -1.009 108 2HD1 LEU 12 2HD1 LEU 12 2.696 7.657 -2.267 109 3HD1 LEU 12 3HD1 LEU 12 3.480 6.101 -2.503 110 1HD2 LEU 12 1HD2 LEU 12 -0.693 6.154 -2.106 111 2HD2 LEU 12 2HD2 LEU 12 0.456 6.572 -0.837 112 3HD2 LEU 12 3HD2 LEU 12 0.235 4.886 -1.307 113 H LYS 13 H LYS 13 4.272 6.522 -4.140 114 HA LYS 13 HA LYS 13 4.054 4.100 -5.755 115 1HB LYS 13 2HB LYS 13 6.328 6.073 -6.023 116 2HB LYS 13 1HB LYS 13 6.327 4.454 -6.705 117 1HG LYS 13 2HG LYS 13 4.395 5.035 -8.086 118 2HG LYS 13 1HG LYS 13 4.402 6.662 -7.403 119 1HD LYS 13 2HD LYS 13 6.662 5.414 -8.965 120 2HD LYS 13 1HD LYS 13 5.494 6.569 -9.607 121 1HE LYS 13 2HE LYS 13 7.425 7.073 -7.345 122 2HE LYS 13 1HE LYS 13 7.596 7.661 -8.998 123 1HZ LYS 13 1HZ LYS 13 5.074 8.425 -8.088 124 2HZ LYS 13 2HZ LYS 13 6.397 9.418 -8.435 125 3HZ LYS 13 3HZ LYS 13 6.178 8.819 -6.868 126 H GLY 14 H GLY 14 5.219 2.363 -4.952 127 1HA GLY 14 2HA GLY 14 7.314 2.568 -3.082 128 2HA GLY 14 1HA GLY 14 5.801 2.385 -2.212 129 H GLU 15 H GLU 15 6.968 0.440 -1.452 130 HA GLU 15 HA GLU 15 6.139 -1.847 -3.041 131 1HB GLU 15 2HB GLU 15 8.982 -1.514 -2.067 132 2HB GLU 15 1HB GLU 15 8.321 -2.970 -2.797 133 1HG GLU 15 2HG GLU 15 7.969 -1.806 -4.886 134 2HG GLU 15 1HG GLU 15 8.524 -0.297 -4.164 135 H THR 16 H THR 16 5.660 -3.630 -1.896 136 HA THR 16 HA THR 16 6.106 -3.562 0.984 137 HB THR 16 HB THR 16 3.941 -2.596 0.747 138 HG1 THR 16 1HG THR 16 4.257 -4.300 2.277 139 1HG2 THR 16 1HG2 THR 16 3.527 -4.676 -1.287 140 2HG2 THR 16 2HG2 THR 16 2.952 -3.012 -1.233 141 3HG2 THR 16 3HG2 THR 16 2.147 -4.257 -0.276 142 H THR 17 H THR 17 5.378 -5.674 2.003 143 HA THR 17 HA THR 17 5.646 -7.940 0.173 144 HB THR 17 HB THR 17 7.398 -8.965 1.584 145 HG1 THR 17 1HG THR 17 8.433 -7.683 3.117 146 1HG2 THR 17 1HG2 THR 17 9.254 -7.730 0.809 147 2HG2 THR 17 2HG2 THR 17 8.304 -6.248 0.688 148 3HG2 THR 17 3HG2 THR 17 7.996 -7.587 -0.419 149 H THR 18 H THR 18 4.172 -9.389 0.596 150 HA THR 18 HA THR 18 3.115 -9.662 3.348 151 HB THR 18 HB THR 18 1.443 -8.966 1.647 152 HG1 THR 18 1HG THR 18 0.847 -10.336 3.411 153 1HG2 THR 18 1HG2 THR 18 2.338 -10.022 -0.340 154 2HG2 THR 18 2HG2 THR 18 0.681 -10.552 -0.041 155 3HG2 THR 18 3HG2 THR 18 2.033 -11.615 0.352 156 H GLU 19 H GLU 19 2.913 -11.765 4.206 157 HA GLU 19 HA GLU 19 4.487 -13.808 2.779 158 1HB GLU 19 2HB GLU 19 5.371 -13.077 4.982 159 2HB GLU 19 1HB GLU 19 3.877 -13.613 5.738 160 1HG GLU 19 2HG GLU 19 5.603 -15.487 4.160 161 2HG GLU 19 1HG GLU 19 5.909 -15.150 5.861 162 H ALA 20 H ALA 20 3.359 -15.443 1.905 163 HA ALA 20 HA ALA 20 1.056 -16.505 3.324 164 1HB ALA 20 1HB ALA 20 -0.545 -16.082 1.743 165 2HB ALA 20 2HB ALA 20 0.631 -15.910 0.439 166 3HB ALA 20 3HB ALA 20 0.430 -14.617 1.621 167 H VAL 21 H VAL 21 0.426 -18.561 2.678 168 HA VAL 21 HA VAL 21 2.398 -20.384 2.106 169 HB VAL 21 HB VAL 21 -0.514 -20.764 1.408 170 1HG1 VAL 21 1HG1 VAL 21 1.542 -22.802 2.242 171 2HG1 VAL 21 2HG1 VAL 21 1.075 -22.485 0.571 172 3HG1 VAL 21 3HG1 VAL 21 -0.113 -23.106 1.716 173 1HG2 VAL 21 1HG2 VAL 21 -0.582 -20.059 3.622 174 2HG2 VAL 21 2HG2 VAL 21 0.938 -20.857 4.025 175 3HG2 VAL 21 3HG2 VAL 21 -0.517 -21.816 3.759 176 H ASP 22 H ASP 22 0.568 -18.483 -0.150 177 HA ASP 22 HA ASP 22 2.309 -19.295 -2.287 178 1HB ASP 22 2HB ASP 22 0.598 -20.127 -3.818 179 2HB ASP 22 1HB ASP 22 0.676 -21.125 -2.371 180 H ALA 23 H ALA 23 1.484 -18.252 -4.445 181 HA ALA 23 HA ALA 23 1.520 -15.496 -4.083 182 1HB ALA 23 1HB ALA 23 2.108 -16.876 -6.165 183 2HB ALA 23 2HB ALA 23 1.370 -15.291 -6.400 184 3HB ALA 23 3HB ALA 23 0.393 -16.751 -6.559 185 H ALA 24 H ALA 24 -1.232 -17.638 -4.673 186 HA ALA 24 HA ALA 24 -3.158 -15.593 -4.959 187 1HB ALA 24 1HB ALA 24 -4.006 -17.598 -5.676 188 2HB ALA 24 2HB ALA 24 -4.699 -17.551 -4.054 189 3HB ALA 24 3HB ALA 24 -3.253 -18.512 -4.368 190 H THR 25 H THR 25 -2.338 -17.604 -2.110 191 HA THR 25 HA THR 25 -3.977 -16.362 -0.265 192 HB THR 25 HB THR 25 -2.259 -17.071 1.422 193 HG1 THR 25 1HG THR 25 -0.784 -17.451 -0.905 194 1HG2 THR 25 1HG2 THR 25 -2.161 -19.542 0.171 195 2HG2 THR 25 2HG2 THR 25 -3.655 -18.797 -0.395 196 3HG2 THR 25 3HG2 THR 25 -3.361 -18.980 1.333 197 H ALA 26 H ALA 26 -0.692 -15.524 -1.314 198 HA ALA 26 HA ALA 26 -0.327 -13.287 0.346 199 1HB ALA 26 1HB ALA 26 0.923 -14.351 -2.102 200 2HB ALA 26 2HB ALA 26 1.664 -13.735 -0.624 201 3HB ALA 26 3HB ALA 26 1.095 -12.613 -1.859 202 H GLU 27 H GLU 27 -1.455 -13.508 -3.037 203 HA GLU 27 HA GLU 27 -2.042 -10.854 -3.470 204 1HB GLU 27 2HB GLU 27 -2.093 -12.584 -5.216 205 2HB GLU 27 1HB GLU 27 -3.543 -13.267 -4.495 206 1HG GLU 27 2HG GLU 27 -3.448 -10.428 -5.453 207 2HG GLU 27 1HG GLU 27 -3.803 -11.767 -6.544 208 H LYS 28 H LYS 28 -4.103 -13.379 -2.075 209 HA LYS 28 HA LYS 28 -6.399 -11.797 -1.709 210 1HB LYS 28 2HB LYS 28 -5.441 -14.243 -0.215 211 2HB LYS 28 1HB LYS 28 -7.042 -13.538 -0.034 212 1HG LYS 28 2HG LYS 28 -5.890 -14.679 -2.571 213 2HG LYS 28 1HG LYS 28 -7.087 -15.450 -1.529 214 1HD LYS 28 2HD LYS 28 -8.635 -13.599 -1.954 215 2HD LYS 28 1HD LYS 28 -7.438 -12.845 -3.008 216 1HE LYS 28 2HE LYS 28 -9.111 -14.051 -4.309 217 2HE LYS 28 1HE LYS 28 -7.520 -14.786 -4.492 218 1HZ LYS 28 1HZ LYS 28 -8.343 -16.698 -3.784 219 2HZ LYS 28 2HZ LYS 28 -9.882 -16.007 -3.669 220 3HZ LYS 28 3HZ LYS 28 -8.850 -15.996 -2.329 221 H VAL 29 H VAL 29 -3.708 -12.561 0.474 222 HA VAL 29 HA VAL 29 -4.663 -11.209 2.730 223 HB VAL 29 HB VAL 29 -1.779 -11.546 1.876 224 1HG1 VAL 29 1HG1 VAL 29 -2.565 -11.437 4.727 225 2HG1 VAL 29 2HG1 VAL 29 -2.582 -9.919 3.831 226 3HG1 VAL 29 3HG1 VAL 29 -1.099 -10.866 3.931 227 1HG2 VAL 29 1HG2 VAL 29 -1.852 -13.686 2.513 228 2HG2 VAL 29 2HG2 VAL 29 -3.605 -13.534 2.402 229 3HG2 VAL 29 3HG2 VAL 29 -2.798 -13.315 3.955 230 H VAL 30 H VAL 30 -2.875 -10.086 -0.077 231 HA VAL 30 HA VAL 30 -2.376 -7.459 0.852 232 HB VAL 30 HB VAL 30 -2.694 -8.451 -1.987 233 1HG1 VAL 30 1HG1 VAL 30 -1.741 -6.473 -2.750 234 2HG1 VAL 30 2HG1 VAL 30 -1.091 -6.061 -1.165 235 3HG1 VAL 30 3HG1 VAL 30 -2.820 -5.914 -1.473 236 1HG2 VAL 30 1HG2 VAL 30 -0.557 -9.170 -1.969 237 2HG2 VAL 30 2HG2 VAL 30 -0.852 -9.321 -0.238 238 3HG2 VAL 30 3HG2 VAL 30 -0.026 -7.896 -0.870 239 H LYS 31 H LYS 31 -4.978 -8.876 -1.163 240 HA LYS 31 HA LYS 31 -6.475 -6.625 -1.682 241 1HB LYS 31 2HB LYS 31 -7.549 -9.353 -0.950 242 2HB LYS 31 1HB LYS 31 -8.465 -8.084 -1.742 243 1HG LYS 31 2HG LYS 31 -6.092 -9.543 -2.864 244 2HG LYS 31 1HG LYS 31 -7.776 -9.743 -3.333 245 1HD LYS 31 2HD LYS 31 -6.313 -7.141 -3.577 246 2HD LYS 31 1HD LYS 31 -6.343 -8.337 -4.867 247 1HE LYS 31 2HE LYS 31 -8.062 -6.829 -5.382 248 2HE LYS 31 1HE LYS 31 -8.875 -8.225 -4.677 249 1HZ LYS 31 1HZ LYS 31 -9.736 -6.923 -3.131 250 2HZ LYS 31 2HZ LYS 31 -9.012 -5.577 -3.859 251 3HZ LYS 31 3HZ LYS 31 -8.201 -6.409 -2.636 252 H GLN 32 H GLN 32 -6.709 -8.754 1.144 253 HA GLN 32 HA GLN 32 -8.692 -7.332 2.512 254 1HB GLN 32 2HB GLN 32 -7.816 -9.639 3.070 255 2HB GLN 32 1HB GLN 32 -6.424 -8.853 3.804 256 1HG GLN 32 2HG GLN 32 -7.986 -9.423 5.516 257 2HG GLN 32 1HG GLN 32 -7.940 -7.672 5.344 258 1HE2 GLN 32 1HE2 GLN 32 -9.606 -9.024 2.751 259 2HE2 GLN 32 2HE2 GLN 32 -11.209 -8.820 3.352 260 H PHE 33 H PHE 33 -5.206 -6.963 2.422 261 HA PHE 33 HA PHE 33 -4.758 -5.176 4.477 262 1HB PHE 33 2HB PHE 33 -3.072 -6.266 2.905 263 2HB PHE 33 1HB PHE 33 -3.459 -5.000 1.749 264 HD1 PHE 33 1HD PHE 33 -2.630 -5.215 5.377 265 HD2 PHE 33 2HD PHE 33 -1.935 -3.300 1.631 266 HE1 PHE 33 1HE PHE 33 -0.973 -3.735 6.437 267 HE2 PHE 33 2HE PHE 33 -0.273 -1.834 2.689 268 HZ PHE 33 HZ PHE 33 0.211 -2.053 5.097 269 H PHE 34 H PHE 34 -5.079 -4.227 1.097 270 HA PHE 34 HA PHE 34 -5.636 -1.503 1.641 271 1HB PHE 34 2HB PHE 34 -6.226 -3.073 -0.872 272 2HB PHE 34 1HB PHE 34 -6.121 -1.313 -0.738 273 HD1 PHE 34 1HD PHE 34 -3.852 -0.708 0.742 274 HD2 PHE 34 2HD PHE 34 -4.402 -3.947 -1.943 275 HE1 PHE 34 1HE PHE 34 -1.421 -0.832 0.413 276 HE2 PHE 34 2HE PHE 34 -1.968 -4.077 -2.295 277 HZ PHE 34 HZ PHE 34 -0.482 -2.518 -1.103 278 H ASN 35 H ASN 35 -7.689 -4.290 1.068 279 HA ASN 35 HA ASN 35 -10.169 -3.094 0.745 280 1HB ASN 35 2HB ASN 35 -9.764 -5.523 0.598 281 2HB ASN 35 1HB ASN 35 -9.479 -5.582 2.334 282 1HD2 ASN 35 1HD2 ASN 35 -11.574 -6.487 0.197 283 2HD2 ASN 35 2HD2 ASN 35 -13.068 -6.258 1.036 284 H ASP 36 H ASP 36 -8.286 -3.714 3.618 285 HA ASP 36 HA ASP 36 -10.302 -2.523 5.363 286 1HB ASP 36 2HB ASP 36 -7.669 -3.852 6.033 287 2HB ASP 36 1HB ASP 36 -8.845 -3.273 7.210 288 H ASN 37 H ASN 37 -7.229 -1.692 3.924 289 HA ASN 37 HA ASN 37 -6.699 0.471 5.769 290 1HB ASN 37 2HB ASN 37 -5.474 -0.144 3.068 291 2HB ASN 37 1HB ASN 37 -4.905 1.098 4.175 292 1HD2 ASN 37 1HD2 ASN 37 -3.847 -1.539 3.026 293 2HD2 ASN 37 2HD2 ASN 37 -3.188 -2.327 4.413 294 H GLY 38 H GLY 38 -7.921 0.070 2.524 295 1HA GLY 38 2HA GLY 38 -8.272 2.087 1.107 296 2HA GLY 38 1HA GLY 38 -9.756 1.383 1.710 297 H VAL 39 H VAL 39 -11.145 2.735 2.522 298 HA VAL 39 HA VAL 39 -10.455 5.478 2.859 299 HB VAL 39 HB VAL 39 -13.076 4.061 3.206 300 1HG1 VAL 39 1HG1 VAL 39 -12.308 6.932 3.495 301 2HG1 VAL 39 2HG1 VAL 39 -13.453 5.975 4.436 302 3HG1 VAL 39 3HG1 VAL 39 -13.886 6.523 2.817 303 1HG2 VAL 39 1HG2 VAL 39 -11.582 4.748 0.923 304 2HG2 VAL 39 2HG2 VAL 39 -12.928 5.884 1.009 305 3HG2 VAL 39 3HG2 VAL 39 -13.241 4.151 0.996 306 H ASP 40 H ASP 40 -11.961 3.179 5.198 307 HA ASP 40 HA ASP 40 -11.476 5.140 7.280 308 1HB ASP 40 2HB ASP 40 -12.906 2.483 7.362 309 2HB ASP 40 1HB ASP 40 -12.813 3.624 8.699 310 H GLY 41 H GLY 41 -9.192 3.576 6.103 311 1HA GLY 41 2HA GLY 41 -8.344 1.644 7.984 312 2HA GLY 41 1HA GLY 41 -7.301 2.508 6.866 313 H GLU 42 H GLU 42 -7.038 1.749 9.771 314 HA GLU 42 HA GLU 42 -7.018 4.257 11.201 315 1HB GLU 42 2HB GLU 42 -5.860 1.560 11.939 316 2HB GLU 42 1HB GLU 42 -5.982 2.942 13.021 317 1HG GLU 42 2HG GLU 42 -8.292 1.485 11.756 318 2HG GLU 42 1HG GLU 42 -7.751 1.320 13.424 319 H TRP 43 H TRP 43 -5.611 5.676 10.236 320 HA TRP 43 HA TRP 43 -2.824 4.787 9.896 321 1HB TRP 43 2HB TRP 43 -4.112 7.254 8.735 322 2HB TRP 43 1HB TRP 43 -2.534 6.598 8.339 323 HD1 TRP 43 HD TRP 43 -5.073 3.855 8.416 324 HE1 TRP 43 1HE TRP 43 -5.784 3.263 6.016 325 HE3 TRP 43 3HE TRP 43 -2.997 7.819 5.975 326 HZ2 TRP 43 2HZ TRP 43 -5.495 4.350 3.426 327 HZ3 TRP 43 3HZ TRP 43 -3.252 7.970 3.543 328 HH2 TRP 43 HH TRP 43 -4.472 6.268 2.288 329 H THR 44 H THR 44 -1.200 5.729 10.995 330 HA THR 44 HA THR 44 -1.844 8.053 12.689 331 HB THR 44 HB THR 44 0.047 7.312 14.128 332 HG1 THR 44 1HG THR 44 0.018 4.993 12.499 333 1HG2 THR 44 1HG2 THR 44 -2.474 6.266 14.127 334 2HG2 THR 44 2HG2 THR 44 -1.259 6.024 15.381 335 3HG2 THR 44 3HG2 THR 44 -1.459 4.824 14.104 336 H TYR 45 H TYR 45 -0.456 9.845 12.583 337 HA TYR 45 HA TYR 45 1.480 9.729 10.366 338 1HB TYR 45 2HB TYR 45 -0.400 11.235 9.961 339 2HB TYR 45 1HB TYR 45 -0.048 12.100 11.453 340 HD1 TYR 45 1HD TYR 45 2.239 10.919 8.751 341 HD2 TYR 45 2HD TYR 45 0.582 14.243 10.826 342 HE1 TYR 45 1HE TYR 45 3.733 12.430 7.512 343 HE2 TYR 45 2HE TYR 45 2.072 15.762 9.594 344 HH TYR 45 HH TYR 45 4.297 15.599 8.408 345 H ASP 46 H ASP 46 3.492 10.608 10.535 346 HA ASP 46 HA ASP 46 4.350 11.499 13.209 347 1HB ASP 46 2HB ASP 46 5.179 9.226 12.767 348 2HB ASP 46 1HB ASP 46 5.908 9.778 11.261 349 H ASP 47 H ASP 47 3.987 13.656 12.435 350 HA ASP 47 HA ASP 47 4.896 14.872 10.176 351 1HB ASP 47 2HB ASP 47 4.931 16.028 12.970 352 2HB ASP 47 1HB ASP 47 5.016 16.967 11.483 353 H ALA 48 H ALA 48 6.821 14.064 13.017 354 HA ALA 48 HA ALA 48 9.101 15.519 12.594 355 1HB ALA 48 1HB ALA 48 9.264 12.650 13.440 356 2HB ALA 48 2HB ALA 48 8.527 13.876 14.472 357 3HB ALA 48 3HB ALA 48 10.217 14.027 13.992 358 H THR 49 H THR 49 8.054 12.673 10.833 359 HA THR 49 HA THR 49 10.389 13.012 9.068 360 HB THR 49 HB THR 49 10.418 10.567 8.711 361 HG1 THR 49 1HG THR 49 8.448 10.587 10.745 362 1HG2 THR 49 1HG2 THR 49 10.574 10.755 11.654 363 2HG2 THR 49 2HG2 THR 49 11.619 11.823 10.716 364 3HG2 THR 49 3HG2 THR 49 11.715 10.075 10.494 365 H LYS 50 H LYS 50 7.310 13.647 9.105 366 HA LYS 50 HA LYS 50 5.570 13.668 7.621 367 1HB LYS 50 2HB LYS 50 7.991 13.788 5.851 368 2HB LYS 50 1HB LYS 50 6.383 13.741 5.147 369 1HG LYS 50 2HG LYS 50 6.944 16.007 5.256 370 2HG LYS 50 1HG LYS 50 5.841 15.742 6.605 371 1HD LYS 50 2HD LYS 50 7.639 17.093 7.391 372 2HD LYS 50 1HD LYS 50 7.843 15.482 8.081 373 1HE LYS 50 2HE LYS 50 9.493 14.949 6.364 374 2HE LYS 50 1HE LYS 50 9.274 16.545 5.646 375 1HZ LYS 50 1HZ LYS 50 10.281 17.575 7.457 376 2HZ LYS 50 2HZ LYS 50 11.241 16.206 7.202 377 3HZ LYS 50 3HZ LYS 50 10.113 16.225 8.462 378 H THR 51 H THR 51 6.340 11.084 8.604 379 HA THR 51 HA THR 51 5.599 9.404 6.309 380 HB THR 51 HB THR 51 7.181 8.654 8.772 381 HG1 THR 51 1HG THR 51 7.894 9.124 6.081 382 1HG2 THR 51 1HG2 THR 51 7.320 6.800 6.571 383 2HG2 THR 51 2HG2 THR 51 5.677 6.952 7.192 384 3HG2 THR 51 3HG2 THR 51 6.993 6.507 8.279 385 H PHE 52 H PHE 52 3.847 8.141 6.446 386 HA PHE 52 HA PHE 52 2.303 8.226 8.956 387 1HB PHE 52 2HB PHE 52 1.293 7.628 6.164 388 2HB PHE 52 1HB PHE 52 0.316 7.869 7.606 389 HD1 PHE 52 1HD PHE 52 -0.702 9.907 7.856 390 HD2 PHE 52 2HD PHE 52 2.924 9.678 5.638 391 HE1 PHE 52 1HE PHE 52 -0.878 12.304 7.322 392 HE2 PHE 52 2HE PHE 52 2.755 12.074 5.107 393 HZ PHE 52 HZ PHE 52 0.853 13.390 5.950 394 H THR 53 H THR 53 1.349 6.270 9.738 395 HA THR 53 HA THR 53 2.451 3.840 8.495 396 HB THR 53 HB THR 53 2.265 2.909 10.921 397 HG1 THR 53 1HG THR 53 2.445 5.697 11.382 398 1HG2 THR 53 1HG2 THR 53 4.524 4.365 11.374 399 2HG2 THR 53 2HG2 THR 53 4.396 4.398 9.615 400 3HG2 THR 53 3HG2 THR 53 4.437 2.853 10.469 401 H VAL 54 H VAL 54 0.936 2.717 7.581 402 HA VAL 54 HA VAL 54 -1.808 2.786 8.570 403 HB VAL 54 HB VAL 54 -0.678 1.444 6.098 404 1HG1 VAL 54 1HG1 VAL 54 -3.086 0.947 7.392 405 2HG1 VAL 54 2HG1 VAL 54 -2.675 0.531 5.729 406 3HG1 VAL 54 3HG1 VAL 54 -3.511 2.043 6.077 407 1HG2 VAL 54 1HG2 VAL 54 -0.508 3.594 5.439 408 2HG2 VAL 54 2HG2 VAL 54 -1.642 4.172 6.660 409 3HG2 VAL 54 3HG2 VAL 54 -2.245 3.430 5.178 410 H THR 55 H THR 55 -2.195 1.441 10.220 411 HA THR 55 HA THR 55 -0.910 -1.195 10.220 412 HB THR 55 HB THR 55 -2.309 0.219 12.490 413 HG1 THR 55 1HG THR 55 -0.523 1.316 12.519 414 1HG2 THR 55 1HG2 THR 55 -1.142 -1.374 13.924 415 2HG2 THR 55 2HG2 THR 55 -0.529 -2.206 12.494 416 3HG2 THR 55 3HG2 THR 55 -2.262 -2.180 12.824 417 H GLU 56 H GLU 56 -2.050 -2.899 9.592 418 HA GLU 56 HA GLU 56 -4.777 -2.809 8.960 419 1HB GLU 56 2HB GLU 56 -3.236 -4.442 7.984 420 2HB GLU 56 1HB GLU 56 -3.040 -5.212 9.553 421 1HG GLU 56 2HG GLU 56 -4.547 -6.478 8.138 422 2HG GLU 56 1HG GLU 56 -5.390 -5.844 9.550 423 1H MET 1 1HT MET 1 6.860 19.890 -1.547 424 2H MET 1 2HT MET 1 5.594 18.780 -1.389 425 3H MET 1 3HT MET 1 6.641 18.686 -2.714 426 HA MET 1 HA MET 1 8.483 18.120 -1.286 427 1HB MET 1 2HB MET 1 7.674 19.422 0.653 428 2HB MET 1 1HB MET 1 6.393 18.246 0.902 429 1HG MET 1 2HG MET 1 8.190 17.876 2.464 430 2HG MET 1 1HG MET 1 8.064 16.519 1.346 431 1HE MET 1 1HE MET 1 10.183 16.566 3.062 432 2HE MET 1 2HE MET 1 11.775 17.113 2.533 433 3HE MET 1 3HE MET 1 11.022 15.716 1.764 434 H GLN 2 H GLN 2 8.853 15.927 -0.482 435 HA GLN 2 HA GLN 2 6.836 14.072 -1.525 436 1HB GLN 2 2HB GLN 2 9.063 13.904 -2.538 437 2HB GLN 2 1HB GLN 2 9.777 13.646 -0.952 438 1HG GLN 2 2HG GLN 2 8.537 11.555 -0.730 439 2HG GLN 2 1HG GLN 2 7.816 11.814 -2.317 440 1HE2 GLN 2 1HE2 GLN 2 10.125 10.155 -0.748 441 2HE2 GLN 2 2HE2 GLN 2 11.245 9.891 -2.036 442 H TYR 3 H TYR 3 6.007 12.441 -0.273 443 HA TYR 3 HA TYR 3 6.843 12.396 2.548 444 1HB TYR 3 2HB TYR 3 4.025 12.275 1.455 445 2HB TYR 3 1HB TYR 3 4.453 11.967 3.138 446 HD1 TYR 3 1HD TYR 3 4.431 13.730 4.644 447 HD2 TYR 3 2HD TYR 3 4.833 14.580 0.496 448 HE1 TYR 3 1HE TYR 3 4.317 16.137 5.135 449 HE2 TYR 3 2HE TYR 3 4.716 16.991 0.972 450 HH TYR 3 HH TYR 3 3.783 18.217 4.032 451 H LYS 4 H LYS 4 6.903 10.423 3.567 452 HA LYS 4 HA LYS 4 6.693 8.105 1.763 453 1HB LYS 4 2HB LYS 4 8.949 8.565 2.598 454 2HB LYS 4 1HB LYS 4 8.364 8.473 4.252 455 1HG LYS 4 2HG LYS 4 7.814 6.120 3.940 456 2HG LYS 4 1HG LYS 4 8.373 6.208 2.268 457 1HD LYS 4 2HD LYS 4 10.617 6.792 3.053 458 2HD LYS 4 1HD LYS 4 10.057 6.700 4.723 459 1HE LYS 4 2HE LYS 4 9.523 4.334 4.413 460 2HE LYS 4 1HE LYS 4 10.074 4.428 2.741 461 1HZ LYS 4 1HZ LYS 4 12.275 4.714 3.408 462 2HZ LYS 4 2HZ LYS 4 11.691 3.527 4.461 463 3HZ LYS 4 3HZ LYS 4 11.854 5.123 4.996 464 H VAL 5 H VAL 5 4.886 6.970 2.068 465 HA VAL 5 HA VAL 5 3.716 6.863 4.744 466 HB VAL 5 HB VAL 5 2.581 5.872 2.122 467 1HG1 VAL 5 1HG1 VAL 5 1.509 4.591 3.732 468 2HG1 VAL 5 2HG1 VAL 5 0.431 5.974 3.553 469 3HG1 VAL 5 3HG1 VAL 5 1.535 5.889 4.925 470 1HG2 VAL 5 1HG2 VAL 5 2.323 8.081 1.776 471 2HG2 VAL 5 2HG2 VAL 5 2.549 8.480 3.478 472 3HG2 VAL 5 3HG2 VAL 5 0.982 7.907 2.906 473 H ILE 6 H ILE 6 3.650 5.083 5.955 474 HA ILE 6 HA ILE 6 5.021 2.693 4.930 475 HB ILE 6 HB ILE 6 4.651 3.667 7.765 476 1HG1 ILE 6 2HG1 ILE 6 7.126 3.333 6.058 477 2HG1 ILE 6 1HG1 ILE 6 6.357 4.865 6.463 478 1HG2 ILE 6 1HG2 ILE 6 6.464 1.638 7.910 479 2HG2 ILE 6 2HG2 ILE 6 5.325 1.021 6.712 480 3HG2 ILE 6 3HG2 ILE 6 4.751 1.497 8.310 481 1HD1 ILE 6 1HD1 ILE 6 7.545 2.961 8.465 482 2HD1 ILE 6 2HD1 ILE 6 6.897 4.569 8.787 483 3HD1 ILE 6 3HD1 ILE 6 8.357 4.384 7.815 484 H LEU 7 H LEU 7 3.844 0.950 4.552 485 HA LEU 7 HA LEU 7 1.153 0.783 5.707 486 1HB LEU 7 2HB LEU 7 2.267 -0.919 3.486 487 2HB LEU 7 1HB LEU 7 0.587 -0.641 3.900 488 HG LEU 7 HG LEU 7 2.475 1.356 2.672 489 1HD1 LEU 7 1HD1 LEU 7 1.426 -0.533 1.286 490 2HD1 LEU 7 2HD1 LEU 7 1.259 1.123 0.703 491 3HD1 LEU 7 3HD1 LEU 7 -0.092 0.332 1.517 492 1HD2 LEU 7 1HD2 LEU 7 0.792 2.976 2.788 493 2HD2 LEU 7 2HD2 LEU 7 0.794 2.236 4.387 494 3HD2 LEU 7 3HD2 LEU 7 -0.445 1.792 3.214 495 H ASN 8 H ASN 8 1.795 0.073 7.736 496 HA ASN 8 HA ASN 8 3.280 -2.418 7.972 497 1HB ASN 8 2HB ASN 8 3.761 -0.470 9.447 498 2HB ASN 8 1HB ASN 8 2.154 -0.641 10.144 499 1HD2 ASN 8 1HD2 ASN 8 5.221 -1.161 10.797 500 2HD2 ASN 8 2HD2 ASN 8 5.124 -2.585 11.774 501 H GLY 9 H GLY 9 2.041 -4.142 7.478 502 1HA GLY 9 2HA GLY 9 -0.489 -4.452 8.978 503 2HA GLY 9 1HA GLY 9 -0.240 -5.099 7.365 504 H LYS 10 H LYS 10 -1.012 -6.549 9.741 505 HA LYS 10 HA LYS 10 1.034 -7.913 10.989 506 1HB LYS 10 2HB LYS 10 -1.752 -8.788 10.256 507 2HB LYS 10 1HB LYS 10 -0.666 -9.812 11.182 508 1HG LYS 10 2HG LYS 10 -2.168 -8.649 12.661 509 2HG LYS 10 1HG LYS 10 -0.519 -8.075 12.911 510 1HD LYS 10 2HD LYS 10 -0.973 -6.082 11.628 511 2HD LYS 10 1HD LYS 10 -2.583 -6.675 11.211 512 1HE LYS 10 2HE LYS 10 -2.688 -5.023 13.002 513 2HE LYS 10 1HE LYS 10 -3.223 -6.606 13.565 514 1HZ LYS 10 1HZ LYS 10 -0.588 -5.334 14.069 515 2HZ LYS 10 2HZ LYS 10 -0.964 -6.930 14.485 516 3HZ LYS 10 3HZ LYS 10 -1.802 -5.649 15.204 517 H THR 11 H THR 11 -0.720 -8.918 8.060 518 HA THR 11 HA THR 11 1.284 -10.967 7.545 519 HB THR 11 HB THR 11 -0.374 -11.519 5.651 520 HG1 THR 11 1HG THR 11 -2.132 -9.997 7.249 521 1HG2 THR 11 1HG2 THR 11 -0.731 -11.957 8.540 522 2HG2 THR 11 2HG2 THR 11 -0.611 -13.117 7.217 523 3HG2 THR 11 3HG2 THR 11 -2.132 -12.278 7.519 524 H LEU 12 H LEU 12 0.681 -7.780 6.695 525 HA LEU 12 HA LEU 12 2.449 -8.042 4.373 526 1HB LEU 12 2HB LEU 12 0.193 -7.788 3.502 527 2HB LEU 12 1HB LEU 12 -0.063 -6.375 4.507 528 HG LEU 12 HG LEU 12 1.406 -5.057 3.211 529 1HD1 LEU 12 1HD1 LEU 12 2.432 -6.434 1.133 530 2HD1 LEU 12 2HD1 LEU 12 2.477 -7.666 2.393 531 3HD1 LEU 12 3HD1 LEU 12 3.296 -6.128 2.640 532 1HD2 LEU 12 1HD2 LEU 12 -0.872 -6.083 2.185 533 2HD2 LEU 12 2HD2 LEU 12 0.285 -6.528 0.931 534 3HD2 LEU 12 3HD2 LEU 12 0.098 -4.839 1.398 535 H LYS 13 H LYS 13 4.052 -6.570 4.288 536 HA LYS 13 HA LYS 13 3.871 -4.143 5.901 537 1HB LYS 13 2HB LYS 13 6.094 -6.173 6.199 538 2HB LYS 13 1HB LYS 13 6.121 -4.553 6.883 539 1HG LYS 13 2HG LYS 13 4.157 -5.087 8.234 540 2HG LYS 13 1HG LYS 13 4.134 -6.714 7.552 541 1HD LYS 13 2HD LYS 13 6.401 -5.520 9.147 542 2HD LYS 13 1HD LYS 13 5.196 -6.647 9.772 543 1HE LYS 13 2HE LYS 13 7.146 -7.198 7.538 544 2HE LYS 13 1HE LYS 13 7.279 -7.790 9.192 545 1HZ LYS 13 1HZ LYS 13 4.751 -8.493 8.246 546 2HZ LYS 13 2HZ LYS 13 6.046 -9.516 8.611 547 3HZ LYS 13 3HZ LYS 13 5.865 -8.914 7.041 548 H GLY 14 H GLY 14 5.090 -2.437 5.114 549 1HA GLY 14 2HA GLY 14 7.206 -2.692 3.274 550 2HA GLY 14 1HA GLY 14 5.710 -2.472 2.382 551 H GLU 15 H GLU 15 6.935 -0.557 1.640 552 HA GLU 15 HA GLU 15 6.138 1.749 3.218 553 1HB GLU 15 2HB GLU 15 8.985 1.349 2.284 554 2HB GLU 15 1HB GLU 15 8.349 2.821 3.006 555 1HG GLU 15 2HG GLU 15 7.941 1.665 5.088 556 2HG GLU 15 1HG GLU 15 8.469 0.142 4.374 557 H THR 16 H THR 16 5.719 3.546 2.065 558 HA THR 16 HA THR 16 6.204 3.464 -0.809 559 HB THR 16 HB THR 16 4.013 2.552 -0.602 560 HG1 THR 16 1HG THR 16 4.392 4.247 -2.127 561 1HG2 THR 16 1HG2 THR 16 3.621 4.642 1.426 562 2HG2 THR 16 2HG2 THR 16 3.007 2.992 1.365 563 3HG2 THR 16 3HG2 THR 16 2.246 4.255 0.396 564 H THR 17 H THR 17 5.542 5.594 -1.836 565 HA THR 17 HA THR 17 5.838 7.853 -0.003 566 HB THR 17 HB THR 17 7.634 8.835 -1.389 567 HG1 THR 17 1HG THR 17 8.660 7.528 -2.907 568 1HG2 THR 17 1HG2 THR 17 9.450 7.555 -0.586 569 2HG2 THR 17 2HG2 THR 17 8.463 6.097 -0.479 570 3HG2 THR 17 3HG2 THR 17 8.172 7.442 0.623 571 H THR 18 H THR 18 4.409 9.337 -0.445 572 HA THR 18 HA THR 18 3.395 9.635 -3.213 573 HB THR 18 HB THR 18 1.682 8.981 -1.536 574 HG1 THR 18 1HG THR 18 1.146 10.364 -3.306 575 1HG2 THR 18 1HG2 THR 18 2.575 10.015 0.464 576 2HG2 THR 18 2HG2 THR 18 0.937 10.586 0.142 577 3HG2 THR 18 3HG2 THR 18 2.320 11.615 -0.232 578 H GLU 19 H GLU 19 3.258 11.742 -4.073 579 HA GLU 19 HA GLU 19 4.861 13.748 -2.624 580 1HB GLU 19 2HB GLU 19 5.757 12.995 -4.815 581 2HB GLU 19 1HB GLU 19 4.288 13.567 -5.592 582 1HG GLU 19 2HG GLU 19 6.035 15.399 -3.987 583 2HG GLU 19 1HG GLU 19 6.358 15.055 -5.685 584 H ALA 20 H ALA 20 3.760 15.410 -1.764 585 HA ALA 20 HA ALA 20 1.502 16.527 -3.217 586 1HB ALA 20 1HB ALA 20 -0.130 16.142 -1.657 587 2HB ALA 20 2HB ALA 20 1.023 15.941 -0.338 588 3HB ALA 20 3HB ALA 20 0.807 14.654 -1.522 589 H VAL 21 H VAL 21 0.915 18.598 -2.579 590 HA VAL 21 HA VAL 21 2.922 20.373 -1.979 591 HB VAL 21 HB VAL 21 0.010 20.823 -1.322 592 1HG1 VAL 21 1HG1 VAL 21 2.127 22.811 -2.125 593 2HG1 VAL 21 2HG1 VAL 21 1.628 22.505 -0.461 594 3HG1 VAL 21 3HG1 VAL 21 0.472 23.154 -1.624 595 1HG2 VAL 21 1HG2 VAL 21 -0.044 20.119 -3.537 596 2HG2 VAL 21 2HG2 VAL 21 1.502 20.880 -3.918 597 3HG2 VAL 21 3HG2 VAL 21 0.067 21.876 -3.673 598 H ASP 22 H ASP 22 1.014 18.516 0.250 599 HA ASP 22 HA ASP 22 2.744 19.286 2.413 600 1HB ASP 22 2HB ASP 22 1.034 20.159 3.920 601 2HB ASP 22 1HB ASP 22 1.155 21.154 2.473 602 H ALA 23 H ALA 23 1.865 18.263 4.558 603 HA ALA 23 HA ALA 23 1.838 15.508 4.196 604 1HB ALA 23 1HB ALA 23 2.429 16.874 6.286 605 2HB ALA 23 2HB ALA 23 1.650 15.308 6.511 606 3HB ALA 23 3HB ALA 23 0.706 16.790 6.656 607 H ALA 24 H ALA 24 -0.869 17.716 4.747 608 HA ALA 24 HA ALA 24 -2.848 15.718 5.005 609 1HB ALA 24 1HB ALA 24 -3.657 17.744 5.711 610 2HB ALA 24 2HB ALA 24 -4.327 17.713 4.079 611 3HB ALA 24 3HB ALA 24 -2.864 18.638 4.414 612 H THR 25 H THR 25 -1.940 17.709 2.169 613 HA THR 25 HA THR 25 -3.581 16.506 0.300 614 HB THR 25 HB THR 25 -1.824 17.173 -1.362 615 HG1 THR 25 1HG THR 25 -0.373 17.516 0.987 616 1HG2 THR 25 1HG2 THR 25 -1.683 19.642 -0.107 617 2HG2 THR 25 2HG2 THR 25 -3.203 18.934 0.437 618 3HG2 THR 25 3HG2 THR 25 -2.881 19.110 -1.288 619 H ALA 26 H ALA 26 -0.333 15.589 1.396 620 HA ALA 26 HA ALA 26 0.000 13.344 -0.260 621 1HB ALA 26 1HB ALA 26 1.241 14.377 2.206 622 2HB ALA 26 2HB ALA 26 1.987 13.743 0.740 623 3HB ALA 26 3HB ALA 26 1.374 12.635 1.966 624 H GLU 27 H GLU 27 -1.170 13.593 3.108 625 HA GLU 27 HA GLU 27 -1.826 10.953 3.532 626 1HB GLU 27 2HB GLU 27 -1.860 12.685 5.278 627 2HB GLU 27 1HB GLU 27 -3.283 13.401 4.538 628 1HG GLU 27 2HG GLU 27 -3.271 10.562 5.494 629 2HG GLU 27 1HG GLU 27 -3.607 11.908 6.581 630 H LYS 28 H LYS 28 -3.806 13.528 2.109 631 HA LYS 28 HA LYS 28 -6.133 12.002 1.710 632 1HB LYS 28 2HB LYS 28 -5.096 14.424 0.230 633 2HB LYS 28 1HB LYS 28 -6.711 13.759 0.027 634 1HG LYS 28 2HG LYS 28 -5.566 14.871 2.580 635 2HG LYS 28 1HG LYS 28 -6.731 15.671 1.521 636 1HD LYS 28 2HD LYS 28 -8.329 13.859 1.924 637 2HD LYS 28 1HD LYS 28 -7.166 13.075 2.995 638 1HE LYS 28 2HE LYS 28 -8.827 14.321 4.273 639 2HE LYS 28 1HE LYS 28 -7.221 15.016 4.478 640 1HZ LYS 28 1HZ LYS 28 -7.987 16.949 3.759 641 2HZ LYS 28 2HZ LYS 28 -9.541 16.296 3.622 642 3HZ LYS 28 3HZ LYS 28 -8.490 16.260 2.297 643 H VAL 29 H VAL 29 -3.395 12.701 -0.434 644 HA VAL 29 HA VAL 29 -4.349 11.371 -2.704 645 HB VAL 29 HB VAL 29 -1.469 11.639 -1.809 646 1HG1 VAL 29 1HG1 VAL 29 -2.220 11.548 -4.671 647 2HG1 VAL 29 2HG1 VAL 29 -2.286 10.033 -3.775 648 3HG1 VAL 29 3HG1 VAL 29 -0.779 10.943 -3.854 649 1HG2 VAL 29 1HG2 VAL 29 -1.482 13.780 -2.447 650 2HG2 VAL 29 2HG2 VAL 29 -3.241 13.670 -2.360 651 3HG2 VAL 29 3HG2 VAL 29 -2.418 13.431 -3.901 652 H VAL 30 H VAL 30 -2.630 10.207 0.128 653 HA VAL 30 HA VAL 30 -2.181 7.568 -0.795 654 HB VAL 30 HB VAL 30 -2.516 8.567 2.040 655 1HG1 VAL 30 1HG1 VAL 30 -1.622 6.566 2.815 656 2HG1 VAL 30 2HG1 VAL 30 -0.960 6.139 1.238 657 3HG1 VAL 30 3HG1 VAL 30 -2.696 6.033 1.523 658 1HG2 VAL 30 1HG2 VAL 30 -0.361 9.233 2.053 659 2HG2 VAL 30 2HG2 VAL 30 -0.628 9.391 0.316 660 3HG2 VAL 30 3HG2 VAL 30 0.154 7.947 0.961 661 H LYS 31 H LYS 31 -4.777 9.048 1.183 662 HA LYS 31 HA LYS 31 -6.334 6.834 1.681 663 1HB LYS 31 2HB LYS 31 -7.332 9.587 0.934 664 2HB LYS 31 1HB LYS 31 -8.291 8.340 1.714 665 1HG LYS 31 2HG LYS 31 -5.897 9.741 2.868 666 2HG LYS 31 1HG LYS 31 -7.582 9.982 3.314 667 1HD LYS 31 2HD LYS 31 -6.187 7.345 3.577 668 2HD LYS 31 1HD LYS 31 -6.206 8.542 4.867 669 1HE LYS 31 2HE LYS 31 -7.968 7.077 5.358 670 2HE LYS 31 1HE LYS 31 -8.737 8.492 4.642 671 1HZ LYS 31 1HZ LYS 31 -9.608 7.211 3.084 672 2HZ LYS 31 2HZ LYS 31 -8.930 5.848 3.823 673 3HZ LYS 31 3HZ LYS 31 -8.080 6.658 2.611 674 H GLN 32 H GLN 32 -6.477 8.967 -1.148 675 HA GLN 32 HA GLN 32 -8.474 7.594 -2.543 676 1HB GLN 32 2HB GLN 32 -7.535 9.878 -3.089 677 2HB GLN 32 1HB GLN 32 -6.152 9.058 -3.803 678 1HG GLN 32 2HG GLN 32 -7.676 9.666 -5.538 679 2HG GLN 32 1HG GLN 32 -7.675 7.914 -5.365 680 1HE2 GLN 32 1HE2 GLN 32 -9.343 9.306 -2.795 681 2HE2 GLN 32 2HE2 GLN 32 -10.942 9.141 -3.418 682 H PHE 33 H PHE 33 -5.001 7.140 -2.406 683 HA PHE 33 HA PHE 33 -4.568 5.342 -4.453 684 1HB PHE 33 2HB PHE 33 -2.878 6.390 -2.857 685 2HB PHE 33 1HB PHE 33 -3.312 5.135 -1.708 686 HD1 PHE 33 1HD PHE 33 -2.427 5.329 -5.324 687 HD2 PHE 33 2HD PHE 33 -1.832 3.398 -1.569 688 HE1 PHE 33 1HE PHE 33 -0.791 3.810 -6.359 689 HE2 PHE 33 2HE PHE 33 -0.190 1.893 -2.604 690 HZ PHE 33 HZ PHE 33 0.332 2.099 -5.003 691 H PHE 34 H PHE 34 -4.958 4.401 -1.079 692 HA PHE 34 HA PHE 34 -5.574 1.692 -1.630 693 1HB PHE 34 2HB PHE 34 -6.161 3.275 0.874 694 2HB PHE 34 1HB PHE 34 -6.098 1.515 0.742 695 HD1 PHE 34 1HD PHE 34 -3.824 0.854 -0.706 696 HD2 PHE 34 2HD PHE 34 -4.332 4.105 1.971 697 HE1 PHE 34 1HE PHE 34 -1.395 0.919 -0.343 698 HE2 PHE 34 2HE PHE 34 -1.900 4.177 2.358 699 HZ PHE 34 HZ PHE 34 -0.437 2.582 1.186 700 H ASN 35 H ASN 35 -7.565 4.527 -1.086 701 HA ASN 35 HA ASN 35 -10.079 3.392 -0.798 702 1HB ASN 35 2HB ASN 35 -9.617 5.811 -0.646 703 2HB ASN 35 1HB ASN 35 -9.306 5.862 -2.378 704 1HD2 ASN 35 1HD2 ASN 35 -11.409 6.817 -0.269 705 2HD2 ASN 35 2HD2 ASN 35 -12.896 6.625 -1.129 706 H ASP 36 H ASP 36 -8.141 3.966 -3.645 707 HA ASP 36 HA ASP 36 -10.160 2.825 -5.418 708 1HB ASP 36 2HB ASP 36 -7.489 4.088 -6.053 709 2HB ASP 36 1HB ASP 36 -8.661 3.540 -7.246 710 H ASN 37 H ASN 37 -7.130 1.919 -3.937 711 HA ASN 37 HA ASN 37 -6.627 -0.256 -5.773 712 1HB ASN 37 2HB ASN 37 -5.425 0.331 -3.055 713 2HB ASN 37 1HB ASN 37 -4.870 -0.926 -4.154 714 1HD2 ASN 37 1HD2 ASN 37 -3.764 1.687 -2.992 715 2HD2 ASN 37 2HD2 ASN 37 -3.067 2.456 -4.371 716 H GLY 38 H GLY 38 -7.884 0.174 -2.546 717 1HA GLY 38 2HA GLY 38 -8.303 -1.833 -1.135 718 2HA GLY 38 1HA GLY 38 -9.761 -1.095 -1.758 719 H VAL 39 H VAL 39 -11.172 -2.413 -2.591 720 HA VAL 39 HA VAL 39 -10.544 -5.171 -2.919 721 HB VAL 39 HB VAL 39 -13.122 -3.689 -3.303 722 1HG1 VAL 39 1HG1 VAL 39 -12.423 -6.578 -3.582 723 2HG1 VAL 39 2HG1 VAL 39 -13.530 -5.592 -4.539 724 3HG1 VAL 39 3HG1 VAL 39 -13.998 -6.131 -2.926 725 1HG2 VAL 39 1HG2 VAL 39 -11.680 -4.412 -0.999 726 2HG2 VAL 39 2HG2 VAL 39 -13.052 -5.517 -1.103 727 3HG2 VAL 39 3HG2 VAL 39 -13.321 -3.775 -1.095 728 H ASP 40 H ASP 40 -11.960 -2.834 -5.278 729 HA ASP 40 HA ASP 40 -11.494 -4.807 -7.352 730 1HB ASP 40 2HB ASP 40 -12.858 -2.116 -7.454 731 2HB ASP 40 1HB ASP 40 -12.773 -3.260 -8.791 732 H GLY 41 H GLY 41 -9.190 -3.300 -6.143 733 1HA GLY 41 2HA GLY 41 -8.268 -1.389 -8.012 734 2HA GLY 41 1HA GLY 41 -7.262 -2.277 -6.879 735 H GLU 42 H GLU 42 -6.940 -1.526 -9.780 736 HA GLU 42 HA GLU 42 -6.960 -4.035 -11.211 737 1HB GLU 42 2HB GLU 42 -5.727 -1.367 -11.931 738 2HB GLU 42 1HB GLU 42 -5.867 -2.744 -13.016 739 1HG GLU 42 2HG GLU 42 -8.159 -1.233 -11.781 740 2HG GLU 42 1HG GLU 42 -7.591 -1.081 -13.443 741 H TRP 43 H TRP 43 -5.602 -5.487 -10.225 742 HA TRP 43 HA TRP 43 -2.799 -4.666 -9.847 743 1HB TRP 43 2HB TRP 43 -4.164 -7.100 -8.706 744 2HB TRP 43 1HB TRP 43 -2.576 -6.482 -8.286 745 HD1 TRP 43 HD TRP 43 -5.046 -3.679 -8.398 746 HE1 TRP 43 1HE TRP 43 -5.777 -3.071 -6.008 747 HE3 TRP 43 3HE TRP 43 -3.101 -7.692 -5.929 748 HZ2 TRP 43 2HZ TRP 43 -5.551 -4.164 -3.415 749 HZ3 TRP 43 3HZ TRP 43 -3.395 -7.836 -3.499 750 HH2 TRP 43 HH TRP 43 -4.592 -6.105 -2.262 751 H THR 44 H THR 44 -1.182 -5.648 -10.922 752 HA THR 44 HA THR 44 -1.860 -7.955 -12.626 753 HB THR 44 HB THR 44 0.070 -7.261 -14.038 754 HG1 THR 44 1HG THR 44 0.073 -4.942 -12.410 755 1HG2 THR 44 1HG2 THR 44 -2.426 -6.154 -14.073 756 2HG2 THR 44 2HG2 THR 44 -1.187 -5.942 -15.310 757 3HG2 THR 44 3HG2 THR 44 -1.376 -4.737 -14.036 758 H TYR 45 H TYR 45 -0.518 -9.781 -12.502 759 HA TYR 45 HA TYR 45 1.388 -9.711 -10.258 760 1HB TYR 45 2HB TYR 45 -0.533 -11.171 -9.880 761 2HB TYR 45 1HB TYR 45 -0.181 -12.046 -11.367 762 HD1 TYR 45 1HD TYR 45 2.095 -10.920 -8.631 763 HD2 TYR 45 2HD TYR 45 0.390 -14.204 -10.731 764 HE1 TYR 45 1HE TYR 45 3.535 -12.466 -7.372 765 HE2 TYR 45 2HE TYR 45 1.824 -15.758 -9.478 766 HH TYR 45 HH TYR 45 4.036 -15.647 -8.260 767 H ASP 46 H ASP 46 3.382 -10.639 -10.399 768 HA ASP 46 HA ASP 46 4.255 -11.550 -13.058 769 1HB ASP 46 2HB ASP 46 5.132 -9.298 -12.605 770 2HB ASP 46 1HB ASP 46 5.827 -9.868 -11.090 771 H ASP 47 H ASP 47 3.829 -13.700 -12.291 772 HA ASP 47 HA ASP 47 4.676 -14.936 -10.019 773 1HB ASP 47 2HB ASP 47 4.724 -16.093 -12.812 774 2HB ASP 47 1HB ASP 47 4.765 -17.033 -11.323 775 H ALA 48 H ALA 48 6.660 -14.175 -12.831 776 HA ALA 48 HA ALA 48 8.898 -15.685 -12.378 777 1HB ALA 48 1HB ALA 48 9.141 -12.821 -13.222 778 2HB ALA 48 2HB ALA 48 8.390 -14.029 -14.264 779 3HB ALA 48 3HB ALA 48 10.070 -14.221 -13.759 780 H THR 49 H THR 49 7.897 -12.815 -10.632 781 HA THR 49 HA THR 49 10.196 -13.210 -8.834 782 HB THR 49 HB THR 49 10.282 -10.766 -8.475 783 HG1 THR 49 1HG THR 49 8.340 -10.738 -10.538 784 1HG2 THR 49 1HG2 THR 49 10.475 -10.959 -11.417 785 2HG2 THR 49 2HG2 THR 49 11.478 -12.051 -10.464 786 3HG2 THR 49 3HG2 THR 49 11.614 -10.307 -10.240 787 H LYS 50 H LYS 50 7.103 -13.769 -8.914 788 HA LYS 50 HA LYS 50 5.343 -13.748 -7.454 789 1HB LYS 50 2HB LYS 50 7.736 -13.927 -5.651 790 2HB LYS 50 1HB LYS 50 6.120 -13.839 -4.970 791 1HG LYS 50 2HG LYS 50 6.628 -16.120 -5.071 792 2HG LYS 50 1HG LYS 50 5.549 -15.828 -6.436 793 1HD LYS 50 2HD LYS 50 7.326 -17.224 -7.197 794 2HD LYS 50 1HD LYS 50 7.577 -15.617 -7.883 795 1HE LYS 50 2HE LYS 50 9.217 -15.124 -6.142 796 2HE LYS 50 1HE LYS 50 8.948 -16.714 -5.428 797 1HZ LYS 50 1HZ LYS 50 9.955 -17.768 -7.226 798 2HZ LYS 50 2HZ LYS 50 10.944 -16.424 -6.957 799 3HZ LYS 50 3HZ LYS 50 9.834 -16.415 -8.232 800 H THR 51 H THR 51 6.189 -11.184 -8.427 801 HA THR 51 HA THR 51 5.456 -9.487 -6.141 802 HB THR 51 HB THR 51 7.093 -8.776 -8.582 803 HG1 THR 51 1HG THR 51 7.755 -9.261 -5.882 804 1HG2 THR 51 1HG2 THR 51 7.244 -6.924 -6.379 805 2HG2 THR 51 2HG2 THR 51 5.607 -7.037 -7.024 806 3HG2 THR 51 3HG2 THR 51 6.950 -6.624 -8.092 807 H PHE 52 H PHE 52 3.739 -8.181 -6.303 808 HA PHE 52 HA PHE 52 2.228 -8.228 -8.835 809 1HB PHE 52 2HB PHE 52 1.196 -7.606 -6.057 810 2HB PHE 52 1HB PHE 52 0.231 -7.822 -7.514 811 HD1 PHE 52 1HD PHE 52 -0.830 -9.835 -7.776 812 HD2 PHE 52 2HD PHE 52 2.768 -9.694 -5.510 813 HE1 PHE 52 1HE PHE 52 -1.074 -12.227 -7.246 814 HE2 PHE 52 2HE PHE 52 2.532 -12.086 -4.981 815 HZ PHE 52 HZ PHE 52 0.611 -13.354 -5.850 816 H THR 53 H THR 53 1.334 -6.251 -9.631 817 HA THR 53 HA THR 53 2.477 -3.847 -8.371 818 HB THR 53 HB THR 53 2.348 -2.912 -10.798 819 HG1 THR 53 1HG THR 53 2.467 -5.703 -11.259 820 1HG2 THR 53 1HG2 THR 53 4.576 -4.423 -11.221 821 2HG2 THR 53 2HG2 THR 53 4.423 -4.452 -9.465 822 3HG2 THR 53 3HG2 THR 53 4.515 -2.909 -10.316 823 H VAL 54 H VAL 54 0.978 -2.688 -7.478 824 HA VAL 54 HA VAL 54 -1.754 -2.691 -8.507 825 HB VAL 54 HB VAL 54 -0.626 -1.376 -6.018 826 1HG1 VAL 54 1HG1 VAL 54 -3.004 -0.820 -7.346 827 2HG1 VAL 54 2HG1 VAL 54 -2.607 -0.413 -5.677 828 3HG1 VAL 54 3HG1 VAL 54 -3.473 -1.907 -6.038 829 1HG2 VAL 54 1HG2 VAL 54 -0.518 -3.529 -5.357 830 2HG2 VAL 54 2HG2 VAL 54 -1.650 -4.079 -6.594 831 3HG2 VAL 54 3HG2 VAL 54 -2.254 -3.323 -5.120 832 H THR 55 H THR 55 -2.086 -1.336 -10.161 833 HA THR 55 HA THR 55 -0.737 1.267 -10.142 834 HB THR 55 HB THR 55 -2.137 -0.113 -12.432 835 HG1 THR 55 1HG THR 55 -0.377 -1.252 -12.437 836 1HG2 THR 55 1HG2 THR 55 -0.913 1.451 -13.850 837 2HG2 THR 55 2HG2 THR 55 -0.300 2.269 -12.411 838 3HG2 THR 55 3HG2 THR 55 -2.028 2.284 -12.766 839 H GLU 56 H GLU 56 -1.844 2.999 -9.532 840 HA GLU 56 HA GLU 56 -4.580 2.976 -8.937 841 1HB GLU 56 2HB GLU 56 -3.013 4.572 -7.938 842 2HB GLU 56 1HB GLU 56 -2.777 5.336 -9.503 843 1HG GLU 56 2HG GLU 56 -4.274 6.639 -8.111 844 2HG GLU 56 1HG GLU 56 -5.111 6.023 -9.535 Start of MODEL 14 1 1H MET 1 1HT MET 1 5.265 -18.598 2.406 2 2H MET 1 2HT MET 1 5.924 -19.889 1.533 3 3H MET 1 3HT MET 1 4.860 -18.814 0.777 4 HA MET 1 HA MET 1 7.617 -18.276 1.706 5 1HB MET 1 2HB MET 1 6.284 -18.089 -1.005 6 2HB MET 1 1HB MET 1 7.971 -17.735 -0.665 7 1HG MET 1 2HG MET 1 8.334 -20.060 -0.026 8 2HG MET 1 1HG MET 1 6.641 -20.415 -0.360 9 1HE MET 1 1HE MET 1 9.457 -18.457 -1.710 10 2HE MET 1 2HE MET 1 9.148 -18.419 -3.445 11 3HE MET 1 3HE MET 1 10.193 -19.666 -2.762 12 H GLN 2 H GLN 2 8.262 -16.059 0.592 13 HA GLN 2 HA GLN 2 6.295 -14.077 1.511 14 1HB GLN 2 2HB GLN 2 8.425 -14.048 2.734 15 2HB GLN 2 1HB GLN 2 9.298 -13.830 1.224 16 1HG GLN 2 2HG GLN 2 8.207 -11.671 0.901 17 2HG GLN 2 1HG GLN 2 7.328 -11.889 2.414 18 1HE2 GLN 2 1HE2 GLN 2 9.856 -10.352 1.081 19 2HE2 GLN 2 2HE2 GLN 2 10.868 -10.159 2.469 20 H TYR 3 H TYR 3 5.802 -12.304 0.211 21 HA TYR 3 HA TYR 3 6.863 -12.387 -2.533 22 1HB TYR 3 2HB TYR 3 3.978 -11.945 -1.736 23 2HB TYR 3 1HB TYR 3 4.611 -11.821 -3.375 24 HD1 TYR 3 1HD TYR 3 4.237 -13.639 -4.739 25 HD2 TYR 3 2HD TYR 3 4.678 -14.288 -0.557 26 HE1 TYR 3 1HE TYR 3 3.847 -16.043 -5.076 27 HE2 TYR 3 2HE TYR 3 4.294 -16.693 -0.884 28 HH TYR 3 HH TYR 3 3.489 -18.247 -2.380 29 H LYS 4 H LYS 4 7.020 -10.415 -3.616 30 HA LYS 4 HA LYS 4 6.932 -8.073 -1.839 31 1HB LYS 4 2HB LYS 4 9.149 -8.611 -2.709 32 2HB LYS 4 1HB LYS 4 8.543 -8.536 -4.357 33 1HG LYS 4 2HG LYS 4 8.011 -6.154 -4.018 34 2HG LYS 4 1HG LYS 4 8.713 -6.250 -2.404 35 1HD LYS 4 2HD LYS 4 10.206 -6.860 -4.955 36 2HD LYS 4 1HD LYS 4 10.246 -5.306 -4.126 37 1HE LYS 4 2HE LYS 4 12.187 -6.482 -3.454 38 2HE LYS 4 1HE LYS 4 11.073 -6.530 -2.090 39 1HZ LYS 4 1HZ LYS 4 10.987 -8.737 -2.175 40 2HZ LYS 4 2HZ LYS 4 12.323 -8.670 -3.208 41 3HZ LYS 4 3HZ LYS 4 10.763 -8.770 -3.852 42 H VAL 5 H VAL 5 5.122 -6.953 -2.112 43 HA VAL 5 HA VAL 5 3.886 -6.826 -4.752 44 HB VAL 5 HB VAL 5 2.857 -5.796 -2.106 45 1HG1 VAL 5 1HG1 VAL 5 1.477 -6.108 -4.770 46 2HG1 VAL 5 2HG1 VAL 5 1.902 -4.586 -3.984 47 3HG1 VAL 5 3HG1 VAL 5 0.694 -5.647 -3.257 48 1HG2 VAL 5 1HG2 VAL 5 2.773 -8.430 -3.404 49 2HG2 VAL 5 2HG2 VAL 5 1.229 -7.847 -2.784 50 3HG2 VAL 5 3HG2 VAL 5 2.614 -7.996 -1.702 51 H ILE 6 H ILE 6 3.970 -5.124 -6.024 52 HA ILE 6 HA ILE 6 5.279 -2.687 -5.053 53 HB ILE 6 HB ILE 6 4.835 -3.727 -7.853 54 1HG1 ILE 6 2HG1 ILE 6 7.364 -3.221 -6.274 55 2HG1 ILE 6 1HG1 ILE 6 6.642 -4.800 -6.556 56 1HG2 ILE 6 1HG2 ILE 6 6.532 -1.643 -8.168 57 2HG2 ILE 6 2HG2 ILE 6 5.479 -1.026 -6.897 58 3HG2 ILE 6 3HG2 ILE 6 4.791 -1.556 -8.433 59 1HD1 ILE 6 1HD1 ILE 6 8.535 -4.361 -8.039 60 2HD1 ILE 6 2HD1 ILE 6 7.688 -2.958 -8.693 61 3HD1 ILE 6 3HD1 ILE 6 7.032 -4.577 -8.936 62 H LEU 7 H LEU 7 3.995 -1.077 -4.497 63 HA LEU 7 HA LEU 7 1.287 -0.932 -5.585 64 1HB LEU 7 2HB LEU 7 2.403 0.887 -3.472 65 2HB LEU 7 1HB LEU 7 0.737 0.413 -3.743 66 HG LEU 7 HG LEU 7 2.926 -1.308 -2.596 67 1HD1 LEU 7 1HD1 LEU 7 1.980 0.375 -1.076 68 2HD1 LEU 7 2HD1 LEU 7 1.584 -1.271 -0.585 69 3HD1 LEU 7 3HD1 LEU 7 0.370 -0.272 -1.385 70 1HD2 LEU 7 1HD2 LEU 7 1.421 -2.580 -4.079 71 2HD2 LEU 7 2HD2 LEU 7 0.045 -2.020 -3.129 72 3HD2 LEU 7 3HD2 LEU 7 1.268 -3.052 -2.386 73 H ASN 8 H ASN 8 1.846 -0.209 -7.679 74 HA ASN 8 HA ASN 8 3.167 2.380 -7.926 75 1HB ASN 8 2HB ASN 8 3.824 0.431 -9.352 76 2HB ASN 8 1HB ASN 8 2.229 0.495 -10.093 77 1HD2 ASN 8 1HD2 ASN 8 5.243 1.147 -10.740 78 2HD2 ASN 8 2HD2 ASN 8 5.096 2.573 -11.707 79 H GLY 9 H GLY 9 1.808 4.086 -7.643 80 1HA GLY 9 2HA GLY 9 -0.813 3.947 -9.007 81 2HA GLY 9 1HA GLY 9 -0.531 4.860 -7.535 82 H LYS 10 H LYS 10 -1.548 6.566 -8.857 83 HA LYS 10 HA LYS 10 -0.088 7.677 -11.051 84 1HB LYS 10 2HB LYS 10 -2.300 8.885 -9.380 85 2HB LYS 10 1HB LYS 10 -1.710 9.520 -10.909 86 1HG LYS 10 2HG LYS 10 -2.470 7.508 -12.051 87 2HG LYS 10 1HG LYS 10 -3.039 6.846 -10.517 88 1HD LYS 10 2HD LYS 10 -4.602 8.722 -10.295 89 2HD LYS 10 1HD LYS 10 -4.036 9.372 -11.835 90 1HE LYS 10 2HE LYS 10 -4.806 7.351 -12.973 91 2HE LYS 10 1HE LYS 10 -5.363 6.693 -11.435 92 1HZ LYS 10 1HZ LYS 10 -6.628 9.032 -11.458 93 2HZ LYS 10 2HZ LYS 10 -7.295 7.610 -12.088 94 3HZ LYS 10 3HZ LYS 10 -6.561 8.729 -13.122 95 H THR 11 H THR 11 -0.782 8.914 -7.765 96 HA THR 11 HA THR 11 1.601 10.612 -7.972 97 HB THR 11 HB THR 11 0.442 11.780 -5.993 98 HG1 THR 11 1HG THR 11 -1.081 9.947 -5.802 99 1HG2 THR 11 1HG2 THR 11 0.243 12.237 -8.688 100 2HG2 THR 11 2HG2 THR 11 -0.320 13.312 -7.410 101 3HG2 THR 11 3HG2 THR 11 -1.439 12.177 -8.166 102 H LEU 12 H LEU 12 0.990 7.675 -6.925 103 HA LEU 12 HA LEU 12 2.737 7.976 -4.600 104 1HB LEU 12 2HB LEU 12 0.476 7.829 -3.734 105 2HB LEU 12 1HB LEU 12 0.185 6.378 -4.671 106 HG LEU 12 HG LEU 12 1.719 5.117 -3.323 107 1HD1 LEU 12 1HD1 LEU 12 3.487 6.182 -2.508 108 2HD1 LEU 12 2HD1 LEU 12 2.435 6.781 -1.222 109 3HD1 LEU 12 3HD1 LEU 12 2.702 7.747 -2.669 110 1HD2 LEU 12 1HD2 LEU 12 0.493 6.402 -1.047 111 2HD2 LEU 12 2HD2 LEU 12 0.176 4.817 -1.748 112 3HD2 LEU 12 3HD2 LEU 12 -0.651 6.241 -2.379 113 H LYS 13 H LYS 13 4.232 6.417 -4.336 114 HA LYS 13 HA LYS 13 4.058 3.956 -5.892 115 1HB LYS 13 2HB LYS 13 6.379 5.883 -6.121 116 2HB LYS 13 1HB LYS 13 6.349 4.256 -6.788 117 1HG LYS 13 2HG LYS 13 4.481 4.880 -8.235 118 2HG LYS 13 1HG LYS 13 4.507 6.512 -7.563 119 1HD LYS 13 2HD LYS 13 6.771 5.190 -9.063 120 2HD LYS 13 1HD LYS 13 5.664 6.394 -9.725 121 1HE LYS 13 2HE LYS 13 7.564 6.807 -7.417 122 2HE LYS 13 1HE LYS 13 7.785 7.407 -9.062 123 1HZ LYS 13 1HZ LYS 13 6.687 9.212 -8.443 124 2HZ LYS 13 2HZ LYS 13 6.310 8.550 -6.934 125 3HZ LYS 13 3HZ LYS 13 5.290 8.276 -8.254 126 H GLY 14 H GLY 14 5.258 2.244 -5.018 127 1HA GLY 14 2HA GLY 14 7.246 2.543 -3.042 128 2HA GLY 14 1HA GLY 14 5.696 2.315 -2.250 129 H GLU 15 H GLU 15 7.102 0.446 -1.468 130 HA GLU 15 HA GLU 15 6.382 -1.895 -3.060 131 1HB GLU 15 2HB GLU 15 9.134 -1.530 -1.855 132 2HB GLU 15 1HB GLU 15 8.560 -2.940 -2.732 133 1HG GLU 15 2HG GLU 15 9.708 -1.933 -4.398 134 2HG GLU 15 1HG GLU 15 8.152 -1.135 -4.626 135 H THR 16 H THR 16 5.688 -3.579 -1.872 136 HA THR 16 HA THR 16 6.107 -3.519 1.027 137 HB THR 16 HB THR 16 3.972 -2.622 0.996 138 HG1 THR 16 1HG THR 16 3.410 -5.372 0.880 139 1HG2 THR 16 1HG2 THR 16 3.090 -2.492 -1.071 140 2HG2 THR 16 2HG2 THR 16 2.184 -3.896 -0.509 141 3HG2 THR 16 3HG2 THR 16 3.614 -4.113 -1.516 142 H THR 17 H THR 17 5.396 -5.644 2.068 143 HA THR 17 HA THR 17 5.646 -7.914 0.242 144 HB THR 17 HB THR 17 7.390 -8.933 1.701 145 HG1 THR 17 1HG THR 17 7.598 -6.325 2.785 146 1HG2 THR 17 1HG2 THR 17 8.191 -7.954 -0.305 147 2HG2 THR 17 2HG2 THR 17 9.274 -7.460 0.995 148 3HG2 THR 17 3HG2 THR 17 8.074 -6.329 0.370 149 H THR 18 H THR 18 4.107 -9.304 0.672 150 HA THR 18 HA THR 18 3.086 -9.585 3.436 151 HB THR 18 HB THR 18 1.423 -8.900 1.717 152 HG1 THR 18 1HG THR 18 0.829 -10.230 3.515 153 1HG2 THR 18 1HG2 THR 18 0.634 -10.797 0.194 154 2HG2 THR 18 2HG2 THR 18 2.256 -11.455 0.406 155 3HG2 THR 18 3HG2 THR 18 2.039 -9.855 -0.304 156 H GLU 19 H GLU 19 2.888 -11.668 4.320 157 HA GLU 19 HA GLU 19 4.475 -13.734 2.944 158 1HB GLU 19 2HB GLU 19 5.326 -13.062 5.147 159 2HB GLU 19 1HB GLU 19 3.775 -13.454 5.877 160 1HG GLU 19 2HG GLU 19 4.076 -15.798 5.273 161 2HG GLU 19 1HG GLU 19 5.628 -15.408 4.532 162 H ALA 20 H ALA 20 3.299 -15.275 1.953 163 HA ALA 20 HA ALA 20 0.989 -16.374 3.343 164 1HB ALA 20 1HB ALA 20 0.537 -15.803 0.476 165 2HB ALA 20 2HB ALA 20 0.479 -14.437 1.591 166 3HB ALA 20 3HB ALA 20 -0.597 -15.813 1.828 167 H VAL 21 H VAL 21 0.406 -18.429 2.719 168 HA VAL 21 HA VAL 21 2.380 -20.230 2.090 169 HB VAL 21 HB VAL 21 -0.537 -20.661 1.449 170 1HG1 VAL 21 1HG1 VAL 21 1.099 -22.816 2.596 171 2HG1 VAL 21 2HG1 VAL 21 1.546 -22.318 0.965 172 3HG1 VAL 21 3HG1 VAL 21 -0.099 -22.861 1.302 173 1HG2 VAL 21 1HG2 VAL 21 -0.444 -21.662 3.858 174 2HG2 VAL 21 2HG2 VAL 21 -0.687 -19.930 3.626 175 3HG2 VAL 21 3HG2 VAL 21 0.907 -20.549 4.060 176 H ASP 22 H ASP 22 0.194 -18.604 -0.132 177 HA ASP 22 HA ASP 22 1.918 -19.408 -2.341 178 1HB ASP 22 2HB ASP 22 0.087 -20.165 -3.749 179 2HB ASP 22 1HB ASP 22 0.146 -21.123 -2.274 180 H ALA 23 H ALA 23 1.154 -18.292 -4.443 181 HA ALA 23 HA ALA 23 1.290 -15.540 -4.057 182 1HB ALA 23 1HB ALA 23 1.976 -16.682 -6.126 183 2HB ALA 23 2HB ALA 23 0.892 -15.325 -6.437 184 3HB ALA 23 3HB ALA 23 0.279 -16.978 -6.504 185 H ALA 24 H ALA 24 -1.518 -17.584 -4.721 186 HA ALA 24 HA ALA 24 -3.383 -15.485 -4.988 187 1HB ALA 24 1HB ALA 24 -3.845 -17.798 -5.701 188 2HB ALA 24 2HB ALA 24 -5.096 -17.178 -4.624 189 3HB ALA 24 3HB ALA 24 -3.881 -18.301 -4.011 190 H THR 25 H THR 25 -2.630 -17.559 -2.174 191 HA THR 25 HA THR 25 -4.260 -16.320 -0.316 192 HB THR 25 HB THR 25 -2.640 -17.139 1.372 193 HG1 THR 25 1HG THR 25 -0.674 -17.557 0.867 194 1HG2 THR 25 1HG2 THR 25 -2.424 -19.564 0.323 195 2HG2 THR 25 2HG2 THR 25 -3.626 -18.893 -0.779 196 3HG2 THR 25 3HG2 THR 25 -3.943 -18.930 0.956 197 H ALA 26 H ALA 26 -0.954 -15.554 -1.318 198 HA ALA 26 HA ALA 26 -0.536 -13.354 0.377 199 1HB ALA 26 1HB ALA 26 1.416 -13.088 -0.736 200 2HB ALA 26 2HB ALA 26 0.649 -13.196 -2.320 201 3HB ALA 26 3HB ALA 26 1.007 -14.664 -1.413 202 H GLU 27 H GLU 27 -1.658 -13.485 -3.018 203 HA GLU 27 HA GLU 27 -2.158 -10.813 -3.428 204 1HB GLU 27 2HB GLU 27 -2.322 -12.512 -5.188 205 2HB GLU 27 1HB GLU 27 -3.766 -13.166 -4.428 206 1HG GLU 27 2HG GLU 27 -4.939 -11.068 -4.841 207 2HG GLU 27 1HG GLU 27 -3.491 -10.407 -5.598 208 H LYS 28 H LYS 28 -4.299 -13.268 -2.027 209 HA LYS 28 HA LYS 28 -6.502 -11.565 -1.581 210 1HB LYS 28 2HB LYS 28 -5.678 -14.083 -0.117 211 2HB LYS 28 1HB LYS 28 -7.247 -13.302 0.029 212 1HG LYS 28 2HG LYS 28 -6.086 -14.542 -2.458 213 2HG LYS 28 1HG LYS 28 -7.396 -15.187 -1.465 214 1HD LYS 28 2HD LYS 28 -8.762 -13.231 -2.002 215 2HD LYS 28 1HD LYS 28 -7.450 -12.583 -2.990 216 1HE LYS 28 2HE LYS 28 -7.596 -14.530 -4.460 217 2HE LYS 28 1HE LYS 28 -8.899 -15.188 -3.469 218 1HZ LYS 28 1HZ LYS 28 -8.986 -13.147 -5.495 219 2HZ LYS 28 2HZ LYS 28 -9.787 -12.705 -4.072 220 3HZ LYS 28 3HZ LYS 28 -10.228 -14.120 -4.886 221 H VAL 29 H VAL 29 -3.815 -12.582 0.499 222 HA VAL 29 HA VAL 29 -4.543 -11.252 2.824 223 HB VAL 29 HB VAL 29 -1.759 -11.739 1.750 224 1HG1 VAL 29 1HG1 VAL 29 -2.746 -10.784 4.409 225 2HG1 VAL 29 2HG1 VAL 29 -1.420 -10.167 3.424 226 3HG1 VAL 29 3HG1 VAL 29 -1.242 -11.698 4.281 227 1HG2 VAL 29 1HG2 VAL 29 -2.723 -13.399 3.947 228 2HG2 VAL 29 2HG2 VAL 29 -1.910 -13.857 2.451 229 3HG2 VAL 29 3HG2 VAL 29 -3.652 -13.592 2.461 230 H VAL 30 H VAL 30 -2.730 -10.093 0.022 231 HA VAL 30 HA VAL 30 -2.182 -7.513 1.052 232 HB VAL 30 HB VAL 30 -2.512 -8.284 -1.853 233 1HG1 VAL 30 1HG1 VAL 30 -2.373 -5.804 -0.998 234 2HG1 VAL 30 2HG1 VAL 30 -1.468 -6.316 -2.421 235 3HG1 VAL 30 3HG1 VAL 30 -0.654 -6.173 -0.863 236 1HG2 VAL 30 1HG2 VAL 30 0.191 -8.088 -0.713 237 2HG2 VAL 30 2HG2 VAL 30 -0.470 -9.232 -1.882 238 3HG2 VAL 30 3HG2 VAL 30 -0.764 -9.465 -0.160 239 H LYS 31 H LYS 31 -4.779 -8.788 -1.044 240 HA LYS 31 HA LYS 31 -6.186 -6.452 -1.477 241 1HB LYS 31 2HB LYS 31 -7.165 -9.281 -1.125 242 2HB LYS 31 1HB LYS 31 -8.239 -7.955 -1.559 243 1HG LYS 31 2HG LYS 31 -6.911 -7.536 -3.563 244 2HG LYS 31 1HG LYS 31 -5.850 -8.881 -3.140 245 1HD LYS 31 2HD LYS 31 -7.458 -9.607 -4.791 246 2HD LYS 31 1HD LYS 31 -7.798 -10.400 -3.250 247 1HE LYS 31 2HE LYS 31 -9.568 -8.785 -2.798 248 2HE LYS 31 1HE LYS 31 -9.211 -7.956 -4.313 249 1HZ LYS 31 1HZ LYS 31 -11.057 -9.881 -4.027 250 2HZ LYS 31 2HZ LYS 31 -9.738 -10.782 -4.586 251 3HZ LYS 31 3HZ LYS 31 -10.317 -9.480 -5.495 252 H GLN 32 H GLN 32 -6.403 -8.690 1.258 253 HA GLN 32 HA GLN 32 -8.440 -7.354 2.660 254 1HB GLN 32 2HB GLN 32 -7.650 -9.637 3.211 255 2HB GLN 32 1HB GLN 32 -6.131 -8.962 3.778 256 1HG GLN 32 2HG GLN 32 -7.527 -9.467 5.654 257 2HG GLN 32 1HG GLN 32 -7.350 -7.723 5.512 258 1HE2 GLN 32 1HE2 GLN 32 -9.431 -8.912 3.133 259 2HE2 GLN 32 2HE2 GLN 32 -10.924 -8.566 3.922 260 H PHE 33 H PHE 33 -4.967 -6.955 2.554 261 HA PHE 33 HA PHE 33 -4.507 -5.178 4.624 262 1HB PHE 33 2HB PHE 33 -2.811 -6.286 3.127 263 2HB PHE 33 1HB PHE 33 -3.225 -5.122 1.879 264 HD1 PHE 33 1HD PHE 33 -1.892 -5.397 5.326 265 HD2 PHE 33 2HD PHE 33 -2.140 -3.077 1.758 266 HE1 PHE 33 1HE PHE 33 -0.184 -3.852 6.198 267 HE2 PHE 33 2HE PHE 33 -0.435 -1.537 2.638 268 HZ PHE 33 HZ PHE 33 0.541 -1.934 4.864 269 H PHE 34 H PHE 34 -4.890 -4.266 1.227 270 HA PHE 34 HA PHE 34 -5.402 -1.518 1.738 271 1HB PHE 34 2HB PHE 34 -6.032 -3.143 -0.728 272 2HB PHE 34 1HB PHE 34 -5.981 -1.378 -0.634 273 HD1 PHE 34 1HD PHE 34 -3.691 -0.728 0.855 274 HD2 PHE 34 2HD PHE 34 -4.208 -3.921 -1.904 275 HE1 PHE 34 1HE PHE 34 -1.264 -0.797 0.494 276 HE2 PHE 34 2HE PHE 34 -1.779 -3.992 -2.280 277 HZ PHE 34 HZ PHE 34 -0.310 -2.430 -1.062 278 H ASN 35 H ASN 35 -7.485 -4.294 1.234 279 HA ASN 35 HA ASN 35 -9.962 -3.086 0.974 280 1HB ASN 35 2HB ASN 35 -9.573 -5.515 0.813 281 2HB ASN 35 1HB ASN 35 -9.253 -5.580 2.541 282 1HD2 ASN 35 1HD2 ASN 35 -11.371 -6.548 0.505 283 2HD2 ASN 35 2HD2 ASN 35 -12.856 -6.283 1.348 284 H ASP 36 H ASP 36 -8.026 -3.709 3.807 285 HA ASP 36 HA ASP 36 -10.011 -2.515 5.582 286 1HB ASP 36 2HB ASP 36 -7.390 -3.893 6.172 287 2HB ASP 36 1HB ASP 36 -8.464 -3.233 7.401 288 H ASN 37 H ASN 37 -7.012 -1.663 4.036 289 HA ASN 37 HA ASN 37 -6.450 0.504 5.874 290 1HB ASN 37 2HB ASN 37 -5.225 -0.166 3.187 291 2HB ASN 37 1HB ASN 37 -4.659 1.107 4.262 292 1HD2 ASN 37 1HD2 ASN 37 -3.582 -1.563 3.195 293 2HD2 ASN 37 2HD2 ASN 37 -2.943 -2.316 4.615 294 H GLY 38 H GLY 38 -7.587 0.138 2.565 295 1HA GLY 38 2HA GLY 38 -7.932 2.222 1.221 296 2HA GLY 38 1HA GLY 38 -9.418 1.450 1.729 297 H VAL 39 H VAL 39 -10.873 2.680 2.676 298 HA VAL 39 HA VAL 39 -10.069 5.374 3.540 299 HB VAL 39 HB VAL 39 -12.808 4.408 2.814 300 1HG1 VAL 39 1HG1 VAL 39 -13.188 6.383 3.904 301 2HG1 VAL 39 2HG1 VAL 39 -12.924 6.987 2.268 302 3HG1 VAL 39 3HG1 VAL 39 -11.622 7.060 3.456 303 1HG2 VAL 39 1HG2 VAL 39 -11.292 4.098 0.920 304 2HG2 VAL 39 2HG2 VAL 39 -10.801 5.788 1.036 305 3HG2 VAL 39 3HG2 VAL 39 -12.463 5.379 0.607 306 H ASP 40 H ASP 40 -10.721 2.559 5.149 307 HA ASP 40 HA ASP 40 -12.090 4.041 7.288 308 1HB ASP 40 2HB ASP 40 -12.468 1.128 6.551 309 2HB ASP 40 1HB ASP 40 -13.191 1.929 7.944 310 H GLY 41 H GLY 41 -9.179 3.025 6.535 311 1HA GLY 41 2HA GLY 41 -8.526 1.376 8.810 312 2HA GLY 41 1HA GLY 41 -7.395 2.041 7.643 313 H GLU 42 H GLU 42 -6.588 2.010 10.170 314 HA GLU 42 HA GLU 42 -7.115 4.650 11.336 315 1HB GLU 42 2HB GLU 42 -5.559 2.299 12.442 316 2HB GLU 42 1HB GLU 42 -5.876 3.804 13.294 317 1HG GLU 42 2HG GLU 42 -8.274 3.340 13.220 318 2HG GLU 42 1HG GLU 42 -7.951 1.830 12.372 319 H TRP 43 H TRP 43 -5.921 6.141 10.263 320 HA TRP 43 HA TRP 43 -3.155 5.519 9.574 321 1HB TRP 43 2HB TRP 43 -4.920 7.852 8.839 322 2HB TRP 43 1HB TRP 43 -3.269 7.626 8.275 323 HD1 TRP 43 HD TRP 43 -6.148 5.018 8.375 324 HE1 TRP 43 1HE TRP 43 -6.449 4.104 5.989 325 HE3 TRP 43 3HE TRP 43 -2.730 7.940 5.962 326 HZ2 TRP 43 2HZ TRP 43 -5.369 4.563 3.418 327 HZ3 TRP 43 3HZ TRP 43 -2.423 7.643 3.545 328 HH2 TRP 43 HH TRP 43 -3.719 5.990 2.298 329 H THR 44 H THR 44 -1.544 6.093 10.848 330 HA THR 44 HA THR 44 -1.892 8.420 12.622 331 HB THR 44 HB THR 44 -0.064 7.426 13.981 332 HG1 THR 44 1HG THR 44 0.594 5.318 13.518 333 1HG2 THR 44 1HG2 THR 44 -2.078 5.253 13.652 334 2HG2 THR 44 2HG2 THR 44 -2.558 6.825 14.290 335 3HG2 THR 44 3HG2 THR 44 -1.324 5.875 15.119 336 H TYR 45 H TYR 45 -0.434 10.098 12.483 337 HA TYR 45 HA TYR 45 1.546 9.875 10.313 338 1HB TYR 45 2HB TYR 45 -0.227 11.508 9.887 339 2HB TYR 45 1HB TYR 45 0.155 12.334 11.393 340 HD1 TYR 45 1HD TYR 45 2.419 11.011 8.742 341 HD2 TYR 45 2HD TYR 45 0.934 14.435 10.782 342 HE1 TYR 45 1HE TYR 45 4.042 12.420 7.547 343 HE2 TYR 45 2HE TYR 45 2.552 15.854 9.591 344 HH TYR 45 HH TYR 45 3.842 15.740 7.404 345 H ASP 46 H ASP 46 3.617 10.616 10.570 346 HA ASP 46 HA ASP 46 4.414 11.397 13.295 347 1HB ASP 46 2HB ASP 46 5.108 9.082 12.845 348 2HB ASP 46 1HB ASP 46 5.938 9.608 11.383 349 H ASP 47 H ASP 47 4.231 13.587 12.556 350 HA ASP 47 HA ASP 47 5.366 14.766 10.365 351 1HB ASP 47 2HB ASP 47 5.251 15.892 13.170 352 2HB ASP 47 1HB ASP 47 5.511 16.837 11.707 353 H ALA 48 H ALA 48 6.993 13.758 13.312 354 HA ALA 48 HA ALA 48 9.396 15.065 13.133 355 1HB ALA 48 1HB ALA 48 10.114 13.646 14.730 356 2HB ALA 48 2HB ALA 48 9.602 12.212 13.839 357 3HB ALA 48 3HB ALA 48 8.421 13.153 14.751 358 H THR 49 H THR 49 8.309 12.327 11.219 359 HA THR 49 HA THR 49 10.775 12.569 9.627 360 HB THR 49 HB THR 49 10.671 10.135 9.201 361 HG1 THR 49 1HG THR 49 8.380 9.981 9.729 362 1HG2 THR 49 1HG2 THR 49 10.681 10.570 12.169 363 2HG2 THR 49 2HG2 THR 49 12.007 11.079 11.122 364 3HG2 THR 49 3HG2 THR 49 11.573 9.372 11.228 365 H LYS 50 H LYS 50 7.735 13.383 9.481 366 HA LYS 50 HA LYS 50 6.140 13.625 7.849 367 1HB LYS 50 2HB LYS 50 8.604 13.306 6.146 368 2HB LYS 50 1HB LYS 50 7.028 13.752 5.507 369 1HG LYS 50 2HG LYS 50 7.363 15.556 7.533 370 2HG LYS 50 1HG LYS 50 9.008 15.360 6.917 371 1HD LYS 50 2HD LYS 50 6.564 16.020 5.285 372 2HD LYS 50 1HD LYS 50 7.833 17.159 5.744 373 1HE LYS 50 2HE LYS 50 9.466 15.874 4.477 374 2HE LYS 50 1HE LYS 50 8.231 14.687 4.060 375 1HZ LYS 50 1HZ LYS 50 8.864 16.626 2.440 376 2HZ LYS 50 2HZ LYS 50 7.741 17.489 3.365 377 3HZ LYS 50 3HZ LYS 50 7.269 16.078 2.559 378 H THR 51 H THR 51 6.639 10.936 8.872 379 HA THR 51 HA THR 51 5.855 9.360 6.516 380 HB THR 51 HB THR 51 7.288 8.458 9.017 381 HG1 THR 51 1HG THR 51 8.713 9.464 7.671 382 1HG2 THR 51 1HG2 THR 51 5.762 6.916 7.190 383 2HG2 THR 51 2HG2 THR 51 6.744 6.374 8.551 384 3HG2 THR 51 3HG2 THR 51 7.470 6.546 6.952 385 H PHE 52 H PHE 52 4.104 8.076 6.589 386 HA PHE 52 HA PHE 52 2.386 8.289 8.979 387 1HB PHE 52 2HB PHE 52 1.541 7.673 6.136 388 2HB PHE 52 1HB PHE 52 0.482 7.979 7.506 389 HD1 PHE 52 1HD PHE 52 -0.507 10.039 7.588 390 HD2 PHE 52 2HD PHE 52 3.312 9.670 5.745 391 HE1 PHE 52 1HE PHE 52 -0.561 12.429 7.004 392 HE2 PHE 52 2HE PHE 52 3.265 12.059 5.162 393 HZ PHE 52 HZ PHE 52 1.328 13.441 5.793 394 H THR 53 H THR 53 1.478 6.410 9.852 395 HA THR 53 HA THR 53 2.438 3.899 8.656 396 HB THR 53 HB THR 53 2.150 3.027 11.094 397 HG1 THR 53 1HG THR 53 2.329 4.523 12.653 398 1HG2 THR 53 1HG2 THR 53 4.488 4.246 11.605 399 2HG2 THR 53 2HG2 THR 53 4.404 4.433 9.852 400 3HG2 THR 53 3HG2 THR 53 4.313 2.824 10.575 401 H VAL 54 H VAL 54 0.775 3.161 7.556 402 HA VAL 54 HA VAL 54 -1.934 3.288 8.575 403 HB VAL 54 HB VAL 54 -0.877 1.900 6.099 404 1HG1 VAL 54 1HG1 VAL 54 -3.558 2.164 7.297 405 2HG1 VAL 54 2HG1 VAL 54 -2.907 0.920 6.230 406 3HG1 VAL 54 3HG1 VAL 54 -3.456 2.457 5.561 407 1HG2 VAL 54 1HG2 VAL 54 -2.155 4.615 6.415 408 2HG2 VAL 54 2HG2 VAL 54 -1.733 3.849 4.884 409 3HG2 VAL 54 3HG2 VAL 54 -0.465 4.297 6.024 410 H THR 55 H THR 55 -2.402 1.941 10.204 411 HA THR 55 HA THR 55 -1.251 -0.745 10.211 412 HB THR 55 HB THR 55 -2.865 0.570 12.394 413 HG1 THR 55 1HG THR 55 -0.790 0.985 13.315 414 1HG2 THR 55 1HG2 THR 55 -1.545 -1.011 13.826 415 2HG2 THR 55 2HG2 THR 55 -1.052 -1.825 12.340 416 3HG2 THR 55 3HG2 THR 55 -2.758 -1.759 12.787 417 H GLU 56 H GLU 56 -2.372 -2.255 9.183 418 HA GLU 56 HA GLU 56 -5.123 -2.060 8.572 419 1HB GLU 56 2HB GLU 56 -3.281 -3.446 7.418 420 2HB GLU 56 1HB GLU 56 -3.577 -4.645 8.668 421 1HG GLU 56 2HG GLU 56 -5.575 -3.624 6.663 422 2HG GLU 56 1HG GLU 56 -4.773 -5.190 6.636 423 1H MET 1 1HT MET 1 5.750 18.517 -2.238 424 2H MET 1 2HT MET 1 6.427 19.792 -1.356 425 3H MET 1 3HT MET 1 5.326 18.742 -0.616 426 HA MET 1 HA MET 1 8.083 18.137 -1.506 427 1HB MET 1 2HB MET 1 6.707 17.983 1.187 428 2HB MET 1 1HB MET 1 8.390 17.588 0.871 429 1HG MET 1 2HG MET 1 8.818 19.905 0.236 430 2HG MET 1 1HG MET 1 7.129 20.300 0.547 431 1HE MET 1 1HE MET 1 9.879 18.275 1.936 432 2HE MET 1 2HE MET 1 9.545 18.244 3.667 433 3HE MET 1 3HE MET 1 10.628 19.465 2.999 434 H GLN 2 H GLN 2 8.656 15.906 -0.379 435 HA GLN 2 HA GLN 2 6.655 13.971 -1.330 436 1HB GLN 2 2HB GLN 2 8.801 13.890 -2.523 437 2HB GLN 2 1HB GLN 2 9.647 13.652 -1.000 438 1HG GLN 2 2HG GLN 2 8.500 11.520 -0.692 439 2HG GLN 2 1HG GLN 2 7.648 11.760 -2.219 440 1HE2 GLN 2 1HE2 GLN 2 10.119 10.161 -0.852 441 2HE2 GLN 2 2HE2 GLN 2 11.146 9.946 -2.224 442 H TYR 3 H TYR 3 6.102 12.210 -0.038 443 HA TYR 3 HA TYR 3 7.124 12.269 2.721 444 1HB TYR 3 2HB TYR 3 4.242 11.899 1.884 445 2HB TYR 3 1HB TYR 3 4.849 11.759 3.532 446 HD1 TYR 3 1HD TYR 3 4.499 13.585 4.890 447 HD2 TYR 3 2HD TYR 3 5.016 14.222 0.716 448 HE1 TYR 3 1HE TYR 3 4.164 15.999 5.223 449 HE2 TYR 3 2HE TYR 3 4.686 16.637 1.037 450 HH TYR 3 HH TYR 3 3.897 18.211 2.521 451 H LYS 4 H LYS 4 7.220 10.296 3.806 452 HA LYS 4 HA LYS 4 7.098 7.956 2.027 453 1HB LYS 4 2HB LYS 4 9.317 8.439 2.928 454 2HB LYS 4 1HB LYS 4 8.685 8.379 4.567 455 1HG LYS 4 2HG LYS 4 8.100 6.011 4.222 456 2HG LYS 4 1HG LYS 4 8.828 6.089 2.617 457 1HD LYS 4 2HD LYS 4 10.299 6.664 5.189 458 2HD LYS 4 1HD LYS 4 10.312 5.107 4.360 459 1HE LYS 4 2HE LYS 4 12.291 6.236 3.716 460 2HE LYS 4 1HE LYS 4 11.198 6.311 2.337 461 1HZ LYS 4 1HZ LYS 4 11.164 8.521 2.421 462 2HZ LYS 4 2HZ LYS 4 12.483 8.421 3.473 463 3HZ LYS 4 3HZ LYS 4 10.919 8.557 4.094 464 H VAL 5 H VAL 5 5.259 6.879 2.276 465 HA VAL 5 HA VAL 5 3.985 6.782 4.898 466 HB VAL 5 HB VAL 5 2.969 5.778 2.236 467 1HG1 VAL 5 1HG1 VAL 5 1.558 6.123 4.879 468 2HG1 VAL 5 2HG1 VAL 5 1.956 4.591 4.101 469 3HG1 VAL 5 3HG1 VAL 5 0.786 5.682 3.357 470 1HG2 VAL 5 1HG2 VAL 5 2.929 8.413 3.534 471 2HG2 VAL 5 2HG2 VAL 5 1.380 7.868 2.893 472 3HG2 VAL 5 3HG2 VAL 5 2.784 7.984 1.831 473 H ILE 6 H ILE 6 4.009 5.079 6.169 474 HA ILE 6 HA ILE 6 5.271 2.610 5.217 475 HB ILE 6 HB ILE 6 4.812 3.662 8.010 476 1HG1 ILE 6 2HG1 ILE 6 7.351 3.095 6.466 477 2HG1 ILE 6 1HG1 ILE 6 6.662 4.691 6.740 478 1HG2 ILE 6 1HG2 ILE 6 6.456 1.538 8.350 479 2HG2 ILE 6 2HG2 ILE 6 5.404 0.945 7.063 480 3HG2 ILE 6 3HG2 ILE 6 4.709 1.494 8.589 481 1HD1 ILE 6 1HD1 ILE 6 8.525 4.205 8.248 482 2HD1 ILE 6 2HD1 ILE 6 7.635 2.825 8.890 483 3HD1 ILE 6 3HD1 ILE 6 7.015 4.459 9.124 484 H LEU 7 H LEU 7 3.958 1.033 4.643 485 HA LEU 7 HA LEU 7 1.231 0.954 5.693 486 1HB LEU 7 2HB LEU 7 2.333 -0.892 3.594 487 2HB LEU 7 1HB LEU 7 0.673 -0.378 3.842 488 HG LEU 7 HG LEU 7 2.920 1.290 2.726 489 1HD1 LEU 7 1HD1 LEU 7 1.955 -0.370 1.193 490 2HD1 LEU 7 2HD1 LEU 7 1.606 1.285 0.696 491 3HD1 LEU 7 3HD1 LEU 7 0.357 0.316 1.477 492 1HD2 LEU 7 1HD2 LEU 7 1.425 2.599 4.188 493 2HD2 LEU 7 2HD2 LEU 7 0.049 2.073 3.220 494 3HD2 LEU 7 3HD2 LEU 7 1.307 3.075 2.494 495 H ASN 8 H ASN 8 1.743 0.219 7.793 496 HA ASN 8 HA ASN 8 2.996 -2.402 8.059 497 1HB ASN 8 2HB ASN 8 3.681 -0.469 9.495 498 2HB ASN 8 1HB ASN 8 2.073 -0.494 10.211 499 1HD2 ASN 8 1HD2 ASN 8 5.060 -1.222 10.901 500 2HD2 ASN 8 2HD2 ASN 8 4.864 -2.643 11.866 501 H GLY 9 H GLY 9 1.601 -4.075 7.757 502 1HA GLY 9 2HA GLY 9 -1.035 -3.873 9.082 503 2HA GLY 9 1HA GLY 9 -0.753 -4.792 7.614 504 H LYS 10 H LYS 10 -1.830 -6.472 8.922 505 HA LYS 10 HA LYS 10 -0.431 -7.617 11.135 506 1HB LYS 10 2HB LYS 10 -2.647 -8.772 9.433 507 2HB LYS 10 1HB LYS 10 -2.095 -9.421 10.971 508 1HG LYS 10 2HG LYS 10 -2.821 -7.390 12.103 509 2HG LYS 10 1HG LYS 10 -3.353 -6.715 10.562 510 1HD LYS 10 2HD LYS 10 -4.957 -8.554 10.317 511 2HD LYS 10 1HD LYS 10 -4.428 -9.217 11.865 512 1HE LYS 10 2HE LYS 10 -5.166 -7.176 12.992 513 2HE LYS 10 1HE LYS 10 -5.686 -6.506 11.446 514 1HZ LYS 10 1HZ LYS 10 -7.006 -8.813 11.451 515 2HZ LYS 10 2HZ LYS 10 -7.647 -7.376 12.071 516 3HZ LYS 10 3HZ LYS 10 -6.955 -8.512 13.115 517 H THR 11 H THR 11 -1.107 -8.838 7.842 518 HA THR 11 HA THR 11 1.229 -10.595 8.081 519 HB THR 11 HB THR 11 0.070 -11.733 6.085 520 HG1 THR 11 1HG THR 11 -1.404 -9.864 5.872 521 1HG2 THR 11 1HG2 THR 11 -0.177 -12.186 8.779 522 2HG2 THR 11 2HG2 THR 11 -0.748 -13.247 7.492 523 3HG2 THR 11 3HG2 THR 11 -1.851 -12.085 8.233 524 H LEU 12 H LEU 12 0.705 -7.644 7.025 525 HA LEU 12 HA LEU 12 2.476 -7.987 4.725 526 1HB LEU 12 2HB LEU 12 0.231 -7.783 3.828 527 2HB LEU 12 1HB LEU 12 -0.034 -6.326 4.762 528 HG LEU 12 HG LEU 12 1.546 -5.104 3.433 529 1HD1 LEU 12 1HD1 LEU 12 3.300 -6.213 2.645 530 2HD1 LEU 12 2HD1 LEU 12 2.253 -6.786 1.345 531 3HD1 LEU 12 3HD1 LEU 12 2.476 -7.758 2.796 532 1HD2 LEU 12 1HD2 LEU 12 0.323 -6.360 1.140 533 2HD2 LEU 12 2HD2 LEU 12 0.033 -4.768 1.840 534 3HD2 LEU 12 3HD2 LEU 12 -0.836 -6.173 2.456 535 H LYS 13 H LYS 13 4.013 -6.465 4.484 536 HA LYS 13 HA LYS 13 3.878 -3.999 6.038 537 1HB LYS 13 2HB LYS 13 6.145 -5.983 6.300 538 2HB LYS 13 1HB LYS 13 6.147 -4.356 6.966 539 1HG LYS 13 2HG LYS 13 4.245 -4.934 8.387 540 2HG LYS 13 1HG LYS 13 4.241 -6.566 7.716 541 1HD LYS 13 2HD LYS 13 6.514 -5.298 9.245 542 2HD LYS 13 1HD LYS 13 5.370 -6.476 9.893 543 1HE LYS 13 2HE LYS 13 7.291 -6.934 7.611 544 2HE LYS 13 1HE LYS 13 7.476 -7.540 9.257 545 1HZ LYS 13 1HZ LYS 13 6.341 -9.317 8.623 546 2HZ LYS 13 2HZ LYS 13 6.001 -8.646 7.110 547 3HZ LYS 13 3HZ LYS 13 4.970 -8.348 8.415 548 H GLY 14 H GLY 14 5.131 -2.318 5.179 549 1HA GLY 14 2HA GLY 14 7.138 -2.667 3.231 550 2HA GLY 14 1HA GLY 14 5.605 -2.401 2.419 551 H GLU 15 H GLU 15 7.067 -0.566 1.656 552 HA GLU 15 HA GLU 15 6.383 1.792 3.239 553 1HB GLU 15 2HB GLU 15 9.141 1.362 2.073 554 2HB GLU 15 1HB GLU 15 8.588 2.784 2.944 555 1HG GLU 15 2HG GLU 15 9.691 1.750 4.624 556 2HG GLU 15 1HG GLU 15 8.114 0.992 4.831 557 H THR 16 H THR 16 5.744 3.493 2.042 558 HA THR 16 HA THR 16 6.203 3.422 -0.850 559 HB THR 16 HB THR 16 4.047 2.577 -0.851 560 HG1 THR 16 1HG THR 16 3.552 5.341 -0.740 561 1HG2 THR 16 1HG2 THR 16 3.132 2.468 1.203 562 2HG2 THR 16 2HG2 THR 16 2.269 3.895 0.630 563 3HG2 THR 16 3HG2 THR 16 3.688 4.077 1.658 564 H THR 17 H THR 17 5.558 5.563 -1.900 565 HA THR 17 HA THR 17 5.839 7.829 -0.072 566 HB THR 17 HB THR 17 7.627 8.803 -1.505 567 HG1 THR 17 1HG THR 17 7.789 6.192 -2.588 568 1HG2 THR 17 1HG2 THR 17 8.375 7.806 0.512 569 2HG2 THR 17 2HG2 THR 17 9.464 7.286 -0.774 570 3HG2 THR 17 3HG2 THR 17 8.230 6.185 -0.165 571 H THR 18 H THR 18 4.339 9.253 -0.523 572 HA THR 18 HA THR 18 3.365 9.559 -3.301 573 HB THR 18 HB THR 18 1.663 8.914 -1.605 574 HG1 THR 18 1HG THR 18 1.129 10.259 -3.412 575 1HG2 THR 18 1HG2 THR 18 0.897 10.828 -0.093 576 2HG2 THR 18 2HG2 THR 18 2.538 11.448 -0.282 577 3HG2 THR 18 3HG2 THR 18 2.274 9.854 0.425 578 H GLU 19 H GLU 19 3.232 11.648 -4.187 579 HA GLU 19 HA GLU 19 4.848 13.673 -2.786 580 1HB GLU 19 2HB GLU 19 5.715 12.982 -4.977 581 2HB GLU 19 1HB GLU 19 4.185 13.409 -5.728 582 1HG GLU 19 2HG GLU 19 4.533 15.747 -5.122 583 2HG GLU 19 1HG GLU 19 6.065 15.320 -4.360 584 H ALA 20 H ALA 20 3.697 15.245 -1.814 585 HA ALA 20 HA ALA 20 1.432 16.397 -3.236 586 1HB ALA 20 1HB ALA 20 0.927 15.836 -0.377 587 2HB ALA 20 2HB ALA 20 0.853 14.472 -1.493 588 3HB ALA 20 3HB ALA 20 -0.188 15.873 -1.744 589 H VAL 21 H VAL 21 0.892 18.465 -2.622 590 HA VAL 21 HA VAL 21 2.898 20.217 -1.963 591 HB VAL 21 HB VAL 21 -0.014 20.721 -1.364 592 1HG1 VAL 21 1HG1 VAL 21 1.690 22.835 -2.487 593 2HG1 VAL 21 2HG1 VAL 21 2.102 22.324 -0.849 594 3HG1 VAL 21 3HG1 VAL 21 0.477 22.908 -1.209 595 1HG2 VAL 21 1HG2 VAL 21 0.136 21.720 -3.770 596 2HG2 VAL 21 2HG2 VAL 21 -0.152 19.993 -3.543 597 3HG2 VAL 21 3HG2 VAL 21 1.463 20.571 -3.953 598 H ASP 22 H ASP 22 0.642 18.644 0.227 599 HA ASP 22 HA ASP 22 2.355 19.408 2.460 600 1HB ASP 22 2HB ASP 22 0.524 20.210 3.842 601 2HB ASP 22 1HB ASP 22 0.628 21.165 2.368 602 H ALA 23 H ALA 23 1.533 18.312 4.553 603 HA ALA 23 HA ALA 23 1.611 15.558 4.167 604 1HB ALA 23 1HB ALA 23 2.294 16.682 6.245 605 2HB ALA 23 2HB ALA 23 1.174 15.352 6.541 606 3HB ALA 23 3HB ALA 23 0.601 17.018 6.601 607 H ALA 24 H ALA 24 -1.158 17.669 4.792 608 HA ALA 24 HA ALA 24 -3.077 15.616 5.032 609 1HB ALA 24 1HB ALA 24 -3.491 17.941 5.737 610 2HB ALA 24 2HB ALA 24 -4.741 17.351 4.641 611 3HB ALA 24 3HB ALA 24 -3.491 18.443 4.047 612 H THR 25 H THR 25 -2.233 17.670 2.229 613 HA THR 25 HA THR 25 -3.866 16.471 0.348 614 HB THR 25 HB THR 25 -2.201 17.251 -1.316 615 HG1 THR 25 1HG THR 25 -0.234 17.620 -0.782 616 1HG2 THR 25 1HG2 THR 25 -1.942 19.671 -0.264 617 2HG2 THR 25 2HG2 THR 25 -3.176 19.031 0.821 618 3HG2 THR 25 3HG2 THR 25 -3.466 19.073 -0.918 619 H ALA 26 H ALA 26 -0.594 15.625 1.398 620 HA ALA 26 HA ALA 26 -0.208 13.417 -0.293 621 1HB ALA 26 1HB ALA 26 1.722 13.100 0.846 622 2HB ALA 26 2HB ALA 26 0.936 13.227 2.421 623 3HB ALA 26 3HB ALA 26 1.345 14.687 1.519 624 H GLU 27 H GLU 27 -1.374 13.575 3.087 625 HA GLU 27 HA GLU 27 -1.943 10.915 3.489 626 1HB GLU 27 2HB GLU 27 -2.092 12.621 5.245 627 2HB GLU 27 1HB GLU 27 -3.511 13.307 4.466 628 1HG GLU 27 2HG GLU 27 -4.737 11.236 4.864 629 2HG GLU 27 1HG GLU 27 -3.314 10.542 5.640 630 H LYS 28 H LYS 28 -4.005 13.421 2.060 631 HA LYS 28 HA LYS 28 -6.241 11.772 1.578 632 1HB LYS 28 2HB LYS 28 -5.332 14.271 0.130 633 2HB LYS 28 1HB LYS 28 -6.918 13.529 -0.040 634 1HG LYS 28 2HG LYS 28 -5.764 14.739 2.463 635 2HG LYS 28 1HG LYS 28 -7.043 15.414 1.454 636 1HD LYS 28 2HD LYS 28 -8.463 13.493 1.969 637 2HD LYS 28 1HD LYS 28 -7.182 12.814 2.976 638 1HE LYS 28 2HE LYS 28 -7.304 14.766 4.444 639 2HE LYS 28 1HE LYS 28 -8.575 15.452 3.435 640 1HZ LYS 28 1HZ LYS 28 -8.740 13.415 5.458 641 2HZ LYS 28 2HZ LYS 28 -9.531 12.992 4.025 642 3HZ LYS 28 3HZ LYS 28 -9.951 14.417 4.833 643 H VAL 29 H VAL 29 -3.495 12.722 -0.459 644 HA VAL 29 HA VAL 29 -4.228 11.412 -2.796 645 HB VAL 29 HB VAL 29 -1.447 11.831 -1.683 646 1HG1 VAL 29 1HG1 VAL 29 -2.421 10.900 -4.357 647 2HG1 VAL 29 2HG1 VAL 29 -1.125 10.249 -3.352 648 3HG1 VAL 29 3HG1 VAL 29 -0.897 11.777 -4.207 649 1HG2 VAL 29 1HG2 VAL 29 -2.342 13.514 -3.893 650 2HG2 VAL 29 2HG2 VAL 29 -1.539 13.953 -2.384 651 3HG2 VAL 29 3HG2 VAL 29 -3.287 13.728 -2.420 652 H VAL 30 H VAL 30 -2.483 10.209 0.033 653 HA VAL 30 HA VAL 30 -1.984 7.616 -0.991 654 HB VAL 30 HB VAL 30 -2.337 8.395 1.908 655 1HG1 VAL 30 1HG1 VAL 30 -2.245 5.913 1.053 656 2HG1 VAL 30 2HG1 VAL 30 -1.348 6.402 2.490 657 3HG1 VAL 30 3HG1 VAL 30 -0.517 6.241 0.945 658 1HG2 VAL 30 1HG2 VAL 30 0.376 8.134 0.807 659 2HG2 VAL 30 2HG2 VAL 30 -0.274 9.292 1.967 660 3HG2 VAL 30 3HG2 VAL 30 -0.537 9.532 0.240 661 H LYS 31 H LYS 31 -4.577 8.954 1.067 662 HA LYS 31 HA LYS 31 -6.048 6.653 1.480 663 1HB LYS 31 2HB LYS 31 -6.952 9.504 1.116 664 2HB LYS 31 1HB LYS 31 -8.064 8.207 1.532 665 1HG LYS 31 2HG LYS 31 -6.774 7.754 3.555 666 2HG LYS 31 1HG LYS 31 -5.676 9.073 3.147 667 1HD LYS 31 2HD LYS 31 -7.289 9.839 4.775 668 2HD LYS 31 1HD LYS 31 -7.588 10.639 3.230 669 1HE LYS 31 2HE LYS 31 -9.391 9.067 2.754 670 2HE LYS 31 1HE LYS 31 -9.074 8.230 4.274 671 1HZ LYS 31 1HZ LYS 31 -10.869 10.200 3.963 672 2HZ LYS 31 2HZ LYS 31 -9.538 11.070 4.539 673 3HZ LYS 31 3HZ LYS 31 -10.161 9.781 5.440 674 H GLN 32 H GLN 32 -6.172 8.895 -1.256 675 HA GLN 32 HA GLN 32 -8.219 7.609 -2.687 676 1HB GLN 32 2HB GLN 32 -7.368 9.872 -3.227 677 2HB GLN 32 1HB GLN 32 -5.858 9.161 -3.773 678 1HG GLN 32 2HG GLN 32 -7.214 9.697 -5.669 679 2HG GLN 32 1HG GLN 32 -7.081 7.949 -5.524 680 1HE2 GLN 32 1HE2 GLN 32 -9.167 9.192 -3.174 681 2HE2 GLN 32 2HE2 GLN 32 -10.656 8.881 -3.985 682 H PHE 33 H PHE 33 -4.760 7.127 -2.530 683 HA PHE 33 HA PHE 33 -4.312 5.338 -4.593 684 1HB PHE 33 2HB PHE 33 -2.613 6.404 -3.074 685 2HB PHE 33 1HB PHE 33 -3.071 5.251 -1.831 686 HD1 PHE 33 1HD PHE 33 -1.685 5.493 -5.259 687 HD2 PHE 33 2HD PHE 33 -2.039 3.179 -1.698 688 HE1 PHE 33 1HE PHE 33 -0.003 3.907 -6.108 689 HE2 PHE 33 2HE PHE 33 -0.361 1.599 -2.554 690 HZ PHE 33 HZ PHE 33 0.656 1.972 -4.766 691 H PHE 34 H PHE 34 -4.767 4.437 -1.204 692 HA PHE 34 HA PHE 34 -5.338 1.703 -1.725 693 1HB PHE 34 2HB PHE 34 -5.963 3.339 0.735 694 2HB PHE 34 1HB PHE 34 -5.955 1.575 0.640 695 HD1 PHE 34 1HD PHE 34 -3.660 0.870 -0.818 696 HD2 PHE 34 2HD PHE 34 -4.139 4.074 1.933 697 HE1 PHE 34 1HE PHE 34 -1.237 0.881 -0.422 698 HE2 PHE 34 2HE PHE 34 -1.715 4.086 2.345 699 HZ PHE 34 HZ PHE 34 -0.267 2.490 1.148 700 H ASN 35 H ASN 35 -7.360 4.528 -1.246 701 HA ASN 35 HA ASN 35 -9.869 3.379 -1.025 702 1HB ASN 35 2HB ASN 35 -9.424 5.799 -0.857 703 2HB ASN 35 1HB ASN 35 -9.079 5.855 -2.580 704 1HD2 ASN 35 1HD2 ASN 35 -11.202 6.876 -0.574 705 2HD2 ASN 35 2HD2 ASN 35 -12.680 6.648 -1.439 706 H ASP 36 H ASP 36 -7.879 3.957 -3.829 707 HA ASP 36 HA ASP 36 -9.867 2.807 -5.631 708 1HB ASP 36 2HB ASP 36 -7.206 4.125 -6.187 709 2HB ASP 36 1HB ASP 36 -8.278 3.488 -7.431 710 H ASN 37 H ASN 37 -6.914 1.884 -4.044 711 HA ASN 37 HA ASN 37 -6.377 -0.297 -5.875 712 1HB ASN 37 2HB ASN 37 -5.176 0.348 -3.171 713 2HB ASN 37 1HB ASN 37 -4.622 -0.942 -4.233 714 1HD2 ASN 37 1HD2 ASN 37 -3.496 1.701 -3.155 715 2HD2 ASN 37 2HD2 ASN 37 -2.821 2.439 -4.566 716 H GLY 38 H GLY 38 -7.551 0.097 -2.587 717 1HA GLY 38 2HA GLY 38 -7.966 -1.977 -1.250 718 2HA GLY 38 1HA GLY 38 -9.426 -1.168 -1.775 719 H VAL 39 H VAL 39 -10.900 -2.366 -2.741 720 HA VAL 39 HA VAL 39 -10.150 -5.078 -3.596 721 HB VAL 39 HB VAL 39 -12.876 -4.045 -2.903 722 1HG1 VAL 39 1HG1 VAL 39 -13.285 -6.013 -3.995 723 2HG1 VAL 39 2HG1 VAL 39 -13.052 -6.618 -2.356 724 3HG1 VAL 39 3HG1 VAL 39 -11.740 -6.721 -3.528 725 1HG2 VAL 39 1HG2 VAL 39 -11.371 -3.772 -0.991 726 2HG2 VAL 39 2HG2 VAL 39 -10.922 -5.473 -1.105 727 3HG2 VAL 39 3HG2 VAL 39 -12.577 -5.025 -0.691 728 H ASP 40 H ASP 40 -10.705 -2.246 -5.210 729 HA ASP 40 HA ASP 40 -12.080 -3.688 -7.367 730 1HB ASP 40 2HB ASP 40 -12.401 -0.771 -6.632 731 2HB ASP 40 1HB ASP 40 -13.122 -1.550 -8.037 732 H GLY 41 H GLY 41 -9.154 -2.756 -6.576 733 1HA GLY 41 2HA GLY 41 -8.432 -1.121 -8.840 734 2HA GLY 41 1HA GLY 41 -7.333 -1.814 -7.658 735 H GLU 42 H GLU 42 -6.488 -1.800 -10.174 736 HA GLU 42 HA GLU 42 -7.064 -4.424 -11.351 737 1HB GLU 42 2HB GLU 42 -5.436 -2.111 -12.429 738 2HB GLU 42 1HB GLU 42 -5.777 -3.606 -13.291 739 1HG GLU 42 2HG GLU 42 -8.165 -3.086 -13.247 740 2HG GLU 42 1HG GLU 42 -7.815 -1.582 -12.394 741 H TRP 43 H TRP 43 -5.923 -5.944 -10.260 742 HA TRP 43 HA TRP 43 -3.153 -5.389 -9.531 743 1HB TRP 43 2HB TRP 43 -4.986 -7.679 -8.818 744 2HB TRP 43 1HB TRP 43 -3.337 -7.490 -8.231 745 HD1 TRP 43 HD TRP 43 -6.150 -4.812 -8.373 746 HE1 TRP 43 1HE TRP 43 -6.466 -3.892 -5.989 747 HE3 TRP 43 3HE TRP 43 -2.839 -7.816 -5.916 748 HZ2 TRP 43 2HZ TRP 43 -5.431 -4.381 -3.402 749 HZ3 TRP 43 3HZ TRP 43 -2.557 -7.530 -3.496 750 HH2 TRP 43 HH TRP 43 -3.827 -5.848 -2.263 751 H THR 44 H THR 44 -1.541 -6.001 -10.783 752 HA THR 44 HA THR 44 -1.916 -8.321 -12.559 753 HB THR 44 HB THR 44 -0.047 -7.371 -13.892 754 HG1 THR 44 1HG THR 44 0.655 -5.280 -13.418 755 1HG2 THR 44 1HG2 THR 44 -2.012 -5.150 -13.590 756 2HG2 THR 44 2HG2 THR 44 -2.522 -6.710 -14.237 757 3HG2 THR 44 3HG2 THR 44 -1.253 -5.791 -15.047 758 H TYR 45 H TYR 45 -0.501 -10.031 -12.400 759 HA TYR 45 HA TYR 45 1.450 -9.860 -10.202 760 1HB TYR 45 2HB TYR 45 -0.368 -11.448 -9.802 761 2HB TYR 45 1HB TYR 45 0.016 -12.283 -11.303 762 HD1 TYR 45 1HD TYR 45 2.273 -11.015 -8.620 763 HD2 TYR 45 2HD TYR 45 0.734 -14.403 -10.681 764 HE1 TYR 45 1HE TYR 45 3.846 -12.463 -7.403 765 HE2 TYR 45 2HE TYR 45 2.301 -15.861 -9.469 766 HH TYR 45 HH TYR 45 3.561 -15.777 -7.263 767 H ASP 46 H ASP 46 3.507 -10.650 -10.430 768 HA ASP 46 HA ASP 46 4.323 -11.450 -13.145 769 1HB ASP 46 2HB ASP 46 5.067 -9.154 -12.684 770 2HB ASP 46 1HB ASP 46 5.863 -9.699 -11.212 771 H ASP 47 H ASP 47 4.077 -13.635 -12.407 772 HA ASP 47 HA ASP 47 5.151 -14.841 -10.202 773 1HB ASP 47 2HB ASP 47 5.048 -15.966 -13.008 774 2HB ASP 47 1HB ASP 47 5.264 -16.916 -11.543 775 H ALA 48 H ALA 48 6.844 -13.873 -13.127 776 HA ALA 48 HA ALA 48 9.210 -15.238 -12.912 777 1HB ALA 48 1HB ALA 48 9.986 -13.838 -14.498 778 2HB ALA 48 2HB ALA 48 9.497 -12.392 -13.616 779 3HB ALA 48 3HB ALA 48 8.306 -13.304 -14.543 780 H THR 49 H THR 49 8.164 -12.475 -11.014 781 HA THR 49 HA THR 49 10.600 -12.776 -9.386 782 HB THR 49 HB THR 49 10.550 -10.340 -8.962 783 HG1 THR 49 1HG THR 49 8.271 -10.130 -9.522 784 1HG2 THR 49 1HG2 THR 49 10.592 -10.775 -11.930 785 2HG2 THR 49 2HG2 THR 49 11.890 -11.316 -10.864 786 3HG2 THR 49 3HG2 THR 49 11.499 -9.600 -10.976 787 H LYS 50 H LYS 50 7.540 -13.516 -9.285 788 HA LYS 50 HA LYS 50 5.918 -13.721 -7.674 789 1HB LYS 50 2HB LYS 50 8.365 -13.459 -5.937 790 2HB LYS 50 1HB LYS 50 6.770 -13.869 -5.320 791 1HG LYS 50 2HG LYS 50 7.089 -15.679 -7.342 792 2HG LYS 50 1HG LYS 50 8.729 -15.524 -6.702 793 1HD LYS 50 2HD LYS 50 6.247 -16.123 -5.105 794 2HD LYS 50 1HD LYS 50 7.495 -17.293 -5.547 795 1HE LYS 50 2HE LYS 50 9.140 -16.048 -4.255 796 2HE LYS 50 1HE LYS 50 7.928 -14.830 -3.856 797 1HZ LYS 50 1HZ LYS 50 8.492 -16.785 -2.229 798 2HZ LYS 50 2HZ LYS 50 7.360 -17.619 -3.170 799 3HZ LYS 50 3HZ LYS 50 6.911 -16.198 -2.370 800 H THR 51 H THR 51 6.495 -11.043 -8.691 801 HA THR 51 HA THR 51 5.717 -9.448 -6.346 802 HB THR 51 HB THR 51 7.208 -8.582 -8.826 803 HG1 THR 51 1HG THR 51 8.589 -9.621 -7.459 804 1HG2 THR 51 1HG2 THR 51 5.694 -7.004 -7.019 805 2HG2 THR 51 2HG2 THR 51 6.708 -6.486 -8.366 806 3HG2 THR 51 3HG2 THR 51 7.406 -6.674 -6.760 807 H PHE 52 H PHE 52 4.000 -8.122 -6.442 808 HA PHE 52 HA PHE 52 2.311 -8.291 -8.855 809 1HB PHE 52 2HB PHE 52 1.440 -7.658 -6.025 810 2HB PHE 52 1HB PHE 52 0.394 -7.937 -7.410 811 HD1 PHE 52 1HD PHE 52 -0.642 -9.971 -7.508 812 HD2 PHE 52 2HD PHE 52 3.156 -9.696 -5.610 813 HE1 PHE 52 1HE PHE 52 -0.765 -12.359 -6.922 814 HE2 PHE 52 2HE PHE 52 3.044 -12.083 -5.029 815 HZ PHE 52 HZ PHE 52 1.082 -13.418 -5.686 816 H THR 53 H THR 53 1.462 -6.392 -9.741 817 HA THR 53 HA THR 53 2.466 -3.904 -8.531 818 HB THR 53 HB THR 53 2.233 -3.028 -10.973 819 HG1 THR 53 1HG THR 53 2.397 -4.528 -12.530 820 1HG2 THR 53 1HG2 THR 53 4.546 -4.303 -11.452 821 2HG2 THR 53 2HG2 THR 53 4.434 -4.486 -9.701 822 3HG2 THR 53 3HG2 THR 53 4.391 -2.876 -10.425 823 H VAL 54 H VAL 54 0.804 -3.126 -7.455 824 HA VAL 54 HA VAL 54 -1.892 -3.189 -8.512 825 HB VAL 54 HB VAL 54 -0.837 -1.825 -6.021 826 1HG1 VAL 54 1HG1 VAL 54 -3.508 -2.025 -7.257 827 2HG1 VAL 54 2HG1 VAL 54 -2.840 -0.797 -6.181 828 3HG1 VAL 54 3HG1 VAL 54 -3.436 -2.320 -5.519 829 1HG2 VAL 54 1HG2 VAL 54 -2.175 -4.508 -6.358 830 2HG2 VAL 54 2HG2 VAL 54 -1.757 -3.754 -4.820 831 3HG2 VAL 54 3HG2 VAL 54 -0.483 -4.231 -5.942 832 H THR 55 H THR 55 -2.303 -1.832 -10.151 833 HA THR 55 HA THR 55 -1.088 0.826 -10.138 834 HB THR 55 HB THR 55 -2.703 -0.448 -12.344 835 HG1 THR 55 1HG THR 55 -0.627 -0.914 -13.237 836 1HG2 THR 55 1HG2 THR 55 -1.324 1.101 -13.757 837 2HG2 THR 55 2HG2 THR 55 -0.833 1.902 -12.263 838 3HG2 THR 55 3HG2 THR 55 -2.533 1.878 -12.736 839 H GLU 56 H GLU 56 -2.185 2.364 -9.126 840 HA GLU 56 HA GLU 56 -4.948 2.235 -8.552 841 1HB GLU 56 2HB GLU 56 -3.089 3.577 -7.372 842 2HB GLU 56 1HB GLU 56 -3.340 4.780 -8.627 843 1HG GLU 56 2HG GLU 56 -5.391 3.808 -6.652 844 2HG GLU 56 1HG GLU 56 -4.552 5.355 -6.613 Start of MODEL 15 1 1H MET 1 1HT MET 1 6.571 -18.550 3.821 2 2H MET 1 2HT MET 1 5.929 -19.677 2.736 3 3H MET 1 3HT MET 1 5.101 -18.234 3.044 4 HA MET 1 HA MET 1 7.831 -18.188 1.945 5 1HB MET 1 2HB MET 1 6.496 -19.691 0.532 6 2HB MET 1 1HB MET 1 5.250 -18.459 0.387 7 1HG MET 1 2HG MET 1 6.612 -18.537 -1.608 8 2HG MET 1 1HG MET 1 6.823 -16.999 -0.773 9 1HE MET 1 1HE MET 1 8.844 -16.620 -2.344 10 2HE MET 1 2HE MET 1 8.927 -18.229 -3.062 11 3HE MET 1 3HE MET 1 10.355 -17.530 -2.299 12 H GLN 2 H GLN 2 8.349 -16.176 1.056 13 HA GLN 2 HA GLN 2 6.542 -13.996 1.858 14 1HB GLN 2 2HB GLN 2 8.785 -14.030 2.915 15 2HB GLN 2 1HB GLN 2 9.518 -13.910 1.322 16 1HG GLN 2 2HG GLN 2 9.536 -11.751 2.319 17 2HG GLN 2 1HG GLN 2 8.353 -11.742 1.012 18 1HE2 GLN 2 1HE2 GLN 2 6.523 -10.772 1.481 19 2HE2 GLN 2 2HE2 GLN 2 5.821 -10.617 3.051 20 H TYR 3 H TYR 3 5.909 -12.446 0.394 21 HA TYR 3 HA TYR 3 6.889 -12.762 -2.366 22 1HB TYR 3 2HB TYR 3 4.036 -12.285 -1.484 23 2HB TYR 3 1HB TYR 3 4.591 -12.214 -3.152 24 HD1 TYR 3 1HD TYR 3 4.341 -14.106 -4.455 25 HD2 TYR 3 2HD TYR 3 4.660 -14.547 -0.233 26 HE1 TYR 3 1HE TYR 3 3.956 -16.525 -4.681 27 HE2 TYR 3 2HE TYR 3 4.279 -16.965 -0.452 28 HH TYR 3 HH TYR 3 4.537 -18.721 -2.193 29 H LYS 4 H LYS 4 6.857 -10.884 -3.672 30 HA LYS 4 HA LYS 4 7.098 -8.418 -2.109 31 1HB LYS 4 2HB LYS 4 9.030 -9.043 -3.475 32 2HB LYS 4 1HB LYS 4 8.019 -9.080 -4.911 33 1HG LYS 4 2HG LYS 4 9.285 -7.045 -4.883 34 2HG LYS 4 1HG LYS 4 7.581 -6.668 -4.627 35 1HD LYS 4 2HD LYS 4 8.972 -5.363 -3.121 36 2HD LYS 4 1HD LYS 4 7.994 -6.515 -2.209 37 1HE LYS 4 2HE LYS 4 9.896 -8.012 -2.018 38 2HE LYS 4 1HE LYS 4 10.877 -6.923 -2.997 39 1HZ LYS 4 1HZ LYS 4 11.261 -5.593 -1.262 40 2HZ LYS 4 2HZ LYS 4 10.769 -6.901 -0.309 41 3HZ LYS 4 3HZ LYS 4 9.669 -5.676 -0.695 42 H VAL 5 H VAL 5 5.676 -6.818 -2.283 43 HA VAL 5 HA VAL 5 3.735 -6.918 -4.498 44 HB VAL 5 HB VAL 5 3.239 -5.914 -1.688 45 1HG1 VAL 5 1HG1 VAL 5 1.976 -5.125 -3.989 46 2HG1 VAL 5 2HG1 VAL 5 1.281 -5.065 -2.369 47 3HG1 VAL 5 3HG1 VAL 5 0.946 -6.439 -3.423 48 1HG2 VAL 5 1HG2 VAL 5 1.500 -8.016 -2.279 49 2HG2 VAL 5 2HG2 VAL 5 2.867 -8.042 -1.165 50 3HG2 VAL 5 3HG2 VAL 5 3.085 -8.554 -2.839 51 H ILE 6 H ILE 6 3.934 -5.282 -5.843 52 HA ILE 6 HA ILE 6 5.224 -2.812 -4.931 53 HB ILE 6 HB ILE 6 4.789 -3.921 -7.703 54 1HG1 ILE 6 2HG1 ILE 6 7.296 -3.461 -6.073 55 2HG1 ILE 6 1HG1 ILE 6 6.566 -5.023 -6.432 56 1HG2 ILE 6 1HG2 ILE 6 5.915 -1.282 -6.817 57 2HG2 ILE 6 2HG2 ILE 6 4.597 -1.591 -7.948 58 3HG2 ILE 6 3HG2 ILE 6 6.256 -1.986 -8.398 59 1HD1 ILE 6 1HD1 ILE 6 8.024 -5.082 -8.116 60 2HD1 ILE 6 2HD1 ILE 6 8.309 -3.344 -8.056 61 3HD1 ILE 6 3HD1 ILE 6 6.911 -3.978 -8.924 62 H LEU 7 H LEU 7 4.044 -1.032 -4.629 63 HA LEU 7 HA LEU 7 1.326 -0.960 -5.747 64 1HB LEU 7 2HB LEU 7 2.386 0.794 -3.540 65 2HB LEU 7 1HB LEU 7 0.714 0.442 -3.941 66 HG LEU 7 HG LEU 7 2.685 -1.488 -2.730 67 1HD1 LEU 7 1HD1 LEU 7 1.703 0.394 -1.311 68 2HD1 LEU 7 2HD1 LEU 7 1.515 -1.257 -0.720 69 3HD1 LEU 7 3HD1 LEU 7 0.160 -0.438 -1.498 70 1HD2 LEU 7 1HD2 LEU 7 -0.249 -1.948 -3.174 71 2HD2 LEU 7 2HD2 LEU 7 0.999 -3.119 -2.744 72 3HD2 LEU 7 3HD2 LEU 7 0.965 -2.420 -4.363 73 H ASN 8 H ASN 8 1.696 -0.091 -7.766 74 HA ASN 8 HA ASN 8 3.116 2.474 -7.910 75 1HB ASN 8 2HB ASN 8 2.330 0.552 -10.102 76 2HB ASN 8 1HB ASN 8 3.123 2.101 -10.372 77 1HD2 ASN 8 1HD2 ASN 8 3.737 -0.989 -10.456 78 2HD2 ASN 8 2HD2 ASN 8 5.362 -1.039 -9.874 79 H GLY 9 H GLY 9 1.815 4.186 -7.641 80 1HA GLY 9 2HA GLY 9 -0.801 4.132 -9.020 81 2HA GLY 9 1HA GLY 9 -0.508 5.007 -7.525 82 H LYS 10 H LYS 10 -1.456 6.778 -8.819 83 HA LYS 10 HA LYS 10 0.115 7.888 -10.953 84 1HB LYS 10 2HB LYS 10 -2.182 9.081 -9.389 85 2HB LYS 10 1HB LYS 10 -1.495 9.751 -10.862 86 1HG LYS 10 2HG LYS 10 -2.876 7.086 -10.616 87 2HG LYS 10 1HG LYS 10 -3.565 8.557 -11.308 88 1HD LYS 10 2HD LYS 10 -1.832 8.550 -13.037 89 2HD LYS 10 1HD LYS 10 -1.145 7.079 -12.343 90 1HE LYS 10 2HE LYS 10 -2.546 6.576 -14.279 91 2HE LYS 10 1HE LYS 10 -3.218 5.882 -12.805 92 1HZ LYS 10 1HZ LYS 10 -4.159 8.541 -13.510 93 2HZ LYS 10 2HZ LYS 10 -5.012 7.219 -12.890 94 3HZ LYS 10 3HZ LYS 10 -4.648 7.289 -14.539 95 H THR 11 H THR 11 -0.739 9.063 -7.690 96 HA THR 11 HA THR 11 1.610 10.808 -7.750 97 HB THR 11 HB THR 11 0.356 11.823 -5.731 98 HG1 THR 11 1HG THR 11 -1.966 11.431 -5.999 99 1HG2 THR 11 1HG2 THR 11 -0.167 13.414 -7.170 100 2HG2 THR 11 2HG2 THR 11 -1.508 12.438 -7.772 101 3HG2 THR 11 3HG2 THR 11 0.090 12.287 -8.503 102 H LEU 12 H LEU 12 1.009 7.801 -6.786 103 HA LEU 12 HA LEU 12 2.754 8.074 -4.451 104 1HB LEU 12 2HB LEU 12 0.487 7.846 -3.616 105 2HB LEU 12 1HB LEU 12 0.248 6.404 -4.583 106 HG LEU 12 HG LEU 12 1.793 5.164 -3.235 107 1HD1 LEU 12 1HD1 LEU 12 2.471 6.787 -1.105 108 2HD1 LEU 12 2HD1 LEU 12 2.698 7.812 -2.519 109 3HD1 LEU 12 3HD1 LEU 12 3.535 6.270 -2.413 110 1HD2 LEU 12 1HD2 LEU 12 0.532 6.376 -0.947 111 2HD2 LEU 12 2HD2 LEU 12 0.238 4.804 -1.689 112 3HD2 LEU 12 3HD2 LEU 12 -0.603 6.233 -2.288 113 H LYS 13 H LYS 13 4.337 6.623 -4.295 114 HA LYS 13 HA LYS 13 4.288 4.214 -5.979 115 1HB LYS 13 2HB LYS 13 6.654 6.095 -5.804 116 2HB LYS 13 1HB LYS 13 6.567 4.609 -6.738 117 1HG LYS 13 2HG LYS 13 4.876 7.052 -7.222 118 2HG LYS 13 1HG LYS 13 6.340 6.632 -8.112 119 1HD LYS 13 2HD LYS 13 5.273 4.535 -8.834 120 2HD LYS 13 1HD LYS 13 3.802 5.006 -7.983 121 1HE LYS 13 2HE LYS 13 5.088 6.426 -10.310 122 2HE LYS 13 1HE LYS 13 3.571 5.528 -10.326 123 1HZ LYS 13 1HZ LYS 13 2.718 7.574 -10.033 124 2HZ LYS 13 2HZ LYS 13 4.131 8.206 -9.352 125 3HZ LYS 13 3HZ LYS 13 3.073 7.289 -8.403 126 H GLY 14 H GLY 14 5.227 2.429 -4.994 127 1HA GLY 14 2HA GLY 14 7.161 2.641 -2.927 128 2HA GLY 14 1HA GLY 14 5.566 2.412 -2.236 129 H GLU 15 H GLU 15 6.999 0.530 -1.454 130 HA GLU 15 HA GLU 15 6.267 -1.791 -3.067 131 1HB GLU 15 2HB GLU 15 9.051 -1.347 -1.965 132 2HB GLU 15 1HB GLU 15 8.481 -2.827 -2.725 133 1HG GLU 15 2HG GLU 15 8.133 -1.624 -4.820 134 2HG GLU 15 1HG GLU 15 8.699 -0.137 -4.060 135 H THR 16 H THR 16 5.752 -3.583 -1.881 136 HA THR 16 HA THR 16 6.195 -3.541 1.002 137 HB THR 16 HB THR 16 4.081 -2.601 1.062 138 HG1 THR 16 1HG THR 16 3.437 -5.331 0.893 139 1HG2 THR 16 1HG2 THR 16 3.227 -2.411 -1.036 140 2HG2 THR 16 2HG2 THR 16 2.192 -3.686 -0.391 141 3HG2 THR 16 3HG2 THR 16 3.547 -4.094 -1.440 142 H THR 17 H THR 17 5.438 -5.694 2.009 143 HA THR 17 HA THR 17 5.612 -7.917 0.116 144 HB THR 17 HB THR 17 7.380 -9.011 1.458 145 HG1 THR 17 1HG THR 17 7.447 -6.510 2.785 146 1HG2 THR 17 1HG2 THR 17 8.079 -6.318 0.331 147 2HG2 THR 17 2HG2 THR 17 8.152 -7.881 -0.483 148 3HG2 THR 17 3HG2 THR 17 9.267 -7.520 0.836 149 H THR 18 H THR 18 4.148 -9.389 0.560 150 HA THR 18 HA THR 18 3.090 -9.636 3.313 151 HB THR 18 HB THR 18 1.436 -8.968 1.593 152 HG1 THR 18 1HG THR 18 0.866 -10.353 3.379 153 1HG2 THR 18 1HG2 THR 18 0.708 -10.988 0.099 154 2HG2 THR 18 2HG2 THR 18 2.415 -11.412 0.219 155 3HG2 THR 18 3HG2 THR 18 1.940 -9.849 -0.447 156 H GLU 19 H GLU 19 2.873 -11.697 4.222 157 HA GLU 19 HA GLU 19 4.449 -13.798 2.891 158 1HB GLU 19 2HB GLU 19 5.235 -12.993 5.122 159 2HB GLU 19 1HB GLU 19 3.721 -13.550 5.818 160 1HG GLU 19 2HG GLU 19 5.703 -15.328 4.419 161 2HG GLU 19 1HG GLU 19 5.631 -15.089 6.164 162 H ALA 20 H ALA 20 3.284 -15.378 1.953 163 HA ALA 20 HA ALA 20 0.958 -16.430 3.350 164 1HB ALA 20 1HB ALA 20 0.511 -15.884 0.475 165 2HB ALA 20 2HB ALA 20 0.442 -14.514 1.584 166 3HB ALA 20 3HB ALA 20 -0.628 -15.896 1.821 167 H VAL 21 H VAL 21 0.364 -18.491 2.749 168 HA VAL 21 HA VAL 21 2.333 -20.304 2.136 169 HB VAL 21 HB VAL 21 -0.585 -20.738 1.512 170 1HG1 VAL 21 1HG1 VAL 21 1.057 -22.883 2.670 171 2HG1 VAL 21 2HG1 VAL 21 1.491 -22.400 1.030 172 3HG1 VAL 21 3HG1 VAL 21 -0.150 -22.940 1.387 173 1HG2 VAL 21 1HG2 VAL 21 -0.475 -21.718 3.931 174 2HG2 VAL 21 2HG2 VAL 21 -0.730 -19.991 3.682 175 3HG2 VAL 21 3HG2 VAL 21 0.872 -20.595 4.111 176 H ASP 22 H ASP 22 0.145 -18.695 -0.101 177 HA ASP 22 HA ASP 22 1.872 -19.514 -2.302 178 1HB ASP 22 2HB ASP 22 0.041 -20.303 -3.703 179 2HB ASP 22 1HB ASP 22 0.135 -21.254 -2.224 180 H ALA 23 H ALA 23 1.068 -18.450 -4.425 181 HA ALA 23 HA ALA 23 1.187 -15.691 -4.093 182 1HB ALA 23 1HB ALA 23 1.922 -16.512 -6.154 183 2HB ALA 23 2HB ALA 23 0.429 -15.655 -6.538 184 3HB ALA 23 3HB ALA 23 0.430 -17.415 -6.426 185 H ALA 24 H ALA 24 -1.616 -17.767 -4.692 186 HA ALA 24 HA ALA 24 -3.497 -15.686 -4.978 187 1HB ALA 24 1HB ALA 24 -3.616 -18.380 -5.244 188 2HB ALA 24 2HB ALA 24 -5.033 -17.334 -5.156 189 3HB ALA 24 3HB ALA 24 -4.462 -18.167 -3.712 190 H THR 25 H THR 25 -2.714 -17.703 -2.133 191 HA THR 25 HA THR 25 -4.319 -16.418 -0.280 192 HB THR 25 HB THR 25 -2.686 -17.229 1.403 193 HG1 THR 25 1HG THR 25 -0.729 -17.639 0.878 194 1HG2 THR 25 1HG2 THR 25 -4.189 -18.911 0.815 195 2HG2 THR 25 2HG2 THR 25 -2.596 -19.655 0.672 196 3HG2 THR 25 3HG2 THR 25 -3.456 -19.123 -0.775 197 H ALA 26 H ALA 26 -1.016 -15.699 -1.328 198 HA ALA 26 HA ALA 26 -0.560 -13.477 0.329 199 1HB ALA 26 1HB ALA 26 0.957 -12.806 -1.723 200 2HB ALA 26 2HB ALA 26 0.582 -14.446 -2.251 201 3HB ALA 26 3HB ALA 26 1.375 -14.180 -0.699 202 H GLU 27 H GLU 27 -1.714 -13.652 -3.053 203 HA GLU 27 HA GLU 27 -2.203 -11.001 -3.530 204 1HB GLU 27 2HB GLU 27 -2.455 -12.757 -5.219 205 2HB GLU 27 1HB GLU 27 -3.881 -13.362 -4.388 206 1HG GLU 27 2HG GLU 27 -5.043 -11.268 -4.840 207 2HG GLU 27 1HG GLU 27 -3.611 -10.649 -5.662 208 H LYS 28 H LYS 28 -4.374 -13.368 -2.016 209 HA LYS 28 HA LYS 28 -6.517 -11.602 -1.553 210 1HB LYS 28 2HB LYS 28 -5.710 -14.087 -0.028 211 2HB LYS 28 1HB LYS 28 -7.265 -13.276 0.113 212 1HG LYS 28 2HG LYS 28 -6.156 -14.632 -2.334 213 2HG LYS 28 1HG LYS 28 -7.485 -15.192 -1.318 214 1HD LYS 28 2HD LYS 28 -8.783 -13.212 -1.929 215 2HD LYS 28 1HD LYS 28 -7.451 -12.649 -2.940 216 1HE LYS 28 2HE LYS 28 -9.174 -13.724 -4.288 217 2HE LYS 28 1HE LYS 28 -7.669 -14.640 -4.339 218 1HZ LYS 28 1HZ LYS 28 -8.585 -16.376 -3.263 219 2HZ LYS 28 2HZ LYS 28 -10.032 -15.746 -3.871 220 3HZ LYS 28 3HZ LYS 28 -9.568 -15.413 -2.279 221 H VAL 29 H VAL 29 -3.800 -12.610 0.487 222 HA VAL 29 HA VAL 29 -4.450 -11.202 2.791 223 HB VAL 29 HB VAL 29 -1.699 -11.759 1.663 224 1HG1 VAL 29 1HG1 VAL 29 -1.191 -10.235 3.283 225 2HG1 VAL 29 2HG1 VAL 29 -1.241 -11.702 4.262 226 3HG1 VAL 29 3HG1 VAL 29 -2.623 -10.608 4.240 227 1HG2 VAL 29 1HG2 VAL 29 -1.851 -13.857 2.436 228 2HG2 VAL 29 2HG2 VAL 29 -3.592 -13.576 2.438 229 3HG2 VAL 29 3HG2 VAL 29 -2.661 -13.352 3.919 230 H VAL 30 H VAL 30 -2.684 -10.164 -0.083 231 HA VAL 30 HA VAL 30 -2.077 -7.559 0.860 232 HB VAL 30 HB VAL 30 -2.393 -8.525 -1.992 233 1HG1 VAL 30 1HG1 VAL 30 -0.566 -6.304 -1.320 234 2HG1 VAL 30 2HG1 VAL 30 -2.291 -5.947 -1.247 235 3HG1 VAL 30 3HG1 VAL 30 -1.578 -6.550 -2.743 236 1HG2 VAL 30 1HG2 VAL 30 0.257 -8.125 -0.711 237 2HG2 VAL 30 2HG2 VAL 30 -0.228 -9.246 -1.982 238 3HG2 VAL 30 3HG2 VAL 30 -0.655 -9.578 -0.304 239 H LYS 31 H LYS 31 -4.677 -8.852 -1.239 240 HA LYS 31 HA LYS 31 -6.043 -6.480 -1.682 241 1HB LYS 31 2HB LYS 31 -7.090 -9.293 -1.430 242 2HB LYS 31 1HB LYS 31 -8.100 -7.933 -1.906 243 1HG LYS 31 2HG LYS 31 -6.515 -7.522 -3.789 244 2HG LYS 31 1HG LYS 31 -5.714 -9.035 -3.365 245 1HD LYS 31 2HD LYS 31 -7.248 -9.507 -5.129 246 2HD LYS 31 1HD LYS 31 -7.930 -10.177 -3.644 247 1HE LYS 31 2HE LYS 31 -9.374 -8.223 -3.417 248 2HE LYS 31 1HE LYS 31 -8.672 -7.523 -4.877 249 1HZ LYS 31 1HZ LYS 31 -9.772 -10.199 -5.152 250 2HZ LYS 31 2HZ LYS 31 -9.867 -8.875 -6.201 251 3HZ LYS 31 3HZ LYS 31 -10.902 -8.972 -4.867 252 H GLN 32 H GLN 32 -6.309 -8.738 1.030 253 HA GLN 32 HA GLN 32 -8.414 -7.414 2.360 254 1HB GLN 32 2HB GLN 32 -7.633 -9.696 2.944 255 2HB GLN 32 1HB GLN 32 -6.142 -9.010 3.570 256 1HG GLN 32 2HG GLN 32 -7.606 -9.512 5.392 257 2HG GLN 32 1HG GLN 32 -7.439 -7.765 5.245 258 1HE2 GLN 32 1HE2 GLN 32 -9.412 -8.995 2.792 259 2HE2 GLN 32 2HE2 GLN 32 -10.939 -8.656 3.518 260 H PHE 33 H PHE 33 -4.946 -6.990 2.341 261 HA PHE 33 HA PHE 33 -4.553 -5.219 4.430 262 1HB PHE 33 2HB PHE 33 -2.820 -6.312 2.950 263 2HB PHE 33 1HB PHE 33 -3.200 -5.115 1.722 264 HD1 PHE 33 1HD PHE 33 -2.017 -5.444 5.222 265 HD2 PHE 33 2HD PHE 33 -2.055 -3.102 1.661 266 HE1 PHE 33 1HE PHE 33 -0.333 -3.929 6.187 267 HE2 PHE 33 2HE PHE 33 -0.375 -1.592 2.636 268 HZ PHE 33 HZ PHE 33 0.486 -2.015 4.904 269 H PHE 34 H PHE 34 -4.895 -4.323 1.027 270 HA PHE 34 HA PHE 34 -5.437 -1.574 1.529 271 1HB PHE 34 2HB PHE 34 -5.964 -3.186 -0.967 272 2HB PHE 34 1HB PHE 34 -5.890 -1.424 -0.859 273 HD1 PHE 34 1HD PHE 34 -3.665 -0.729 0.617 274 HD2 PHE 34 2HD PHE 34 -4.098 -4.080 -1.952 275 HE1 PHE 34 1HE PHE 34 -1.226 -0.826 0.346 276 HE2 PHE 34 2HE PHE 34 -1.658 -4.181 -2.243 277 HZ PHE 34 HZ PHE 34 -0.226 -2.551 -1.078 278 H ASN 35 H ASN 35 -7.489 -4.353 0.880 279 HA ASN 35 HA ASN 35 -9.959 -3.151 0.526 280 1HB ASN 35 2HB ASN 35 -9.547 -5.575 0.350 281 2HB ASN 35 1HB ASN 35 -9.298 -5.665 2.088 282 1HD2 ASN 35 1HD2 ASN 35 -11.321 -6.614 -0.056 283 2HD2 ASN 35 2HD2 ASN 35 -12.842 -6.382 0.732 284 H ASP 36 H ASP 36 -8.153 -3.833 3.433 285 HA ASP 36 HA ASP 36 -10.202 -2.652 5.143 286 1HB ASP 36 2HB ASP 36 -7.640 -4.095 5.822 287 2HB ASP 36 1HB ASP 36 -8.762 -3.447 7.015 288 H ASN 37 H ASN 37 -7.069 -1.831 3.826 289 HA ASN 37 HA ASN 37 -6.555 0.261 5.742 290 1HB ASN 37 2HB ASN 37 -5.299 -0.335 3.054 291 2HB ASN 37 1HB ASN 37 -4.774 0.968 4.112 292 1HD2 ASN 37 1HD2 ASN 37 -3.588 -1.658 3.088 293 2HD2 ASN 37 2HD2 ASN 37 -2.942 -2.380 4.520 294 H GLY 38 H GLY 38 -7.859 -0.020 2.531 295 1HA GLY 38 2HA GLY 38 -8.220 2.023 1.156 296 2HA GLY 38 1HA GLY 38 -9.694 1.378 1.839 297 H VAL 39 H VAL 39 -10.980 2.807 2.697 298 HA VAL 39 HA VAL 39 -10.083 5.493 3.091 299 HB VAL 39 HB VAL 39 -12.814 4.301 3.440 300 1HG1 VAL 39 1HG1 VAL 39 -13.035 6.270 4.600 301 2HG1 VAL 39 2HG1 VAL 39 -13.373 6.830 2.963 302 3HG1 VAL 39 3HG1 VAL 39 -11.778 7.084 3.669 303 1HG2 VAL 39 1HG2 VAL 39 -12.871 5.871 1.209 304 2HG2 VAL 39 2HG2 VAL 39 -12.680 4.117 1.217 305 3HG2 VAL 39 3HG2 VAL 39 -11.259 5.161 1.122 306 H ASP 40 H ASP 40 -11.802 3.265 5.358 307 HA ASP 40 HA ASP 40 -11.275 5.146 7.480 308 1HB ASP 40 2HB ASP 40 -12.735 2.505 7.480 309 2HB ASP 40 1HB ASP 40 -12.636 3.602 8.854 310 H GLY 41 H GLY 41 -8.981 3.567 6.318 311 1HA GLY 41 2HA GLY 41 -8.191 1.621 8.219 312 2HA GLY 41 1HA GLY 41 -7.117 2.466 7.113 313 H GLU 42 H GLU 42 -6.732 1.745 9.957 314 HA GLU 42 HA GLU 42 -6.844 4.211 11.444 315 1HB GLU 42 2HB GLU 42 -5.409 1.617 12.055 316 2HB GLU 42 1HB GLU 42 -5.610 2.954 13.177 317 1HG GLU 42 2HG GLU 42 -8.033 2.656 13.104 318 2HG GLU 42 1HG GLU 42 -7.830 1.311 11.981 319 H TRP 43 H TRP 43 -5.636 5.724 10.285 320 HA TRP 43 HA TRP 43 -2.817 5.103 9.781 321 1HB TRP 43 2HB TRP 43 -4.467 7.464 8.878 322 2HB TRP 43 1HB TRP 43 -2.812 7.121 8.397 323 HD1 TRP 43 HD TRP 43 -5.267 4.212 8.448 324 HE1 TRP 43 1HE TRP 43 -5.784 3.517 6.027 325 HE3 TRP 43 3HE TRP 43 -2.954 8.049 6.019 326 HZ2 TRP 43 2HZ TRP 43 -5.254 4.470 3.426 327 HZ3 TRP 43 3HZ TRP 43 -2.995 8.084 3.565 328 HH2 TRP 43 HH TRP 43 -4.120 6.330 2.294 329 H THR 44 H THR 44 -1.258 5.859 11.046 330 HA THR 44 HA THR 44 -1.852 8.124 12.829 331 HB THR 44 HB THR 44 0.056 7.305 14.199 332 HG1 THR 44 1HG THR 44 1.050 6.166 12.386 333 1HG2 THR 44 1HG2 THR 44 -1.746 4.957 13.815 334 2HG2 THR 44 2HG2 THR 44 -2.355 6.462 14.502 335 3HG2 THR 44 3HG2 THR 44 -1.040 5.599 15.298 336 H TYR 45 H TYR 45 -0.508 9.929 12.772 337 HA TYR 45 HA TYR 45 1.466 9.925 10.585 338 1HB TYR 45 2HB TYR 45 -0.457 11.397 10.189 339 2HB TYR 45 1HB TYR 45 -0.127 12.244 11.698 340 HD1 TYR 45 1HD TYR 45 2.338 11.118 9.157 341 HD2 TYR 45 2HD TYR 45 0.339 14.419 10.943 342 HE1 TYR 45 1HE TYR 45 3.825 12.662 7.952 343 HE2 TYR 45 2HE TYR 45 1.818 15.972 9.742 344 HH TYR 45 HH TYR 45 3.961 16.018 8.672 345 H ASP 46 H ASP 46 3.480 10.738 10.878 346 HA ASP 46 HA ASP 46 4.192 11.638 13.590 347 1HB ASP 46 2HB ASP 46 5.018 9.352 13.209 348 2HB ASP 46 1HB ASP 46 5.843 9.887 11.749 349 H ASP 47 H ASP 47 3.933 13.808 12.816 350 HA ASP 47 HA ASP 47 5.040 14.966 10.590 351 1HB ASP 47 2HB ASP 47 4.823 16.178 13.354 352 2HB ASP 47 1HB ASP 47 5.063 17.085 11.863 353 H ALA 48 H ALA 48 6.639 14.169 13.623 354 HA ALA 48 HA ALA 48 9.019 15.550 13.321 355 1HB ALA 48 1HB ALA 48 8.037 13.809 15.154 356 2HB ALA 48 2HB ALA 48 9.695 14.412 15.133 357 3HB ALA 48 3HB ALA 48 9.318 12.844 14.417 358 H THR 49 H THR 49 7.971 12.581 11.778 359 HA THR 49 HA THR 49 10.546 12.470 10.351 360 HB THR 49 HB THR 49 10.076 10.076 9.974 361 HG1 THR 49 1HG THR 49 7.806 10.162 10.137 362 1HG2 THR 49 1HG2 THR 49 10.502 11.229 12.616 363 2HG2 THR 49 2HG2 THR 49 11.356 9.925 11.788 364 3HG2 THR 49 3HG2 THR 49 9.851 9.589 12.645 365 H LYS 50 H LYS 50 7.628 13.678 9.881 366 HA LYS 50 HA LYS 50 6.242 14.051 8.077 367 1HB LYS 50 2HB LYS 50 8.904 13.640 6.702 368 2HB LYS 50 1HB LYS 50 7.472 14.257 5.892 369 1HG LYS 50 2HG LYS 50 8.659 15.581 8.312 370 2HG LYS 50 1HG LYS 50 9.162 15.965 6.664 371 1HD LYS 50 2HD LYS 50 6.343 16.175 7.725 372 2HD LYS 50 1HD LYS 50 7.456 17.527 7.512 373 1HE LYS 50 2HE LYS 50 6.369 15.730 5.350 374 2HE LYS 50 1HE LYS 50 5.931 17.412 5.635 375 1HZ LYS 50 1HZ LYS 50 7.526 17.896 4.188 376 2HZ LYS 50 2HZ LYS 50 8.172 16.333 4.226 377 3HZ LYS 50 3HZ LYS 50 8.642 17.470 5.386 378 H THR 51 H THR 51 6.398 11.303 9.014 379 HA THR 51 HA THR 51 5.765 9.919 6.495 380 HB THR 51 HB THR 51 7.040 8.733 8.965 381 HG1 THR 51 1HG THR 51 8.820 8.458 7.545 382 1HG2 THR 51 1HG2 THR 51 5.564 7.150 7.737 383 2HG2 THR 51 2HG2 THR 51 7.264 6.688 7.776 384 3HG2 THR 51 3HG2 THR 51 6.576 7.395 6.314 385 H PHE 52 H PHE 52 4.150 8.313 6.569 386 HA PHE 52 HA PHE 52 2.295 8.522 8.855 387 1HB PHE 52 2HB PHE 52 1.540 8.100 5.952 388 2HB PHE 52 1HB PHE 52 0.434 8.297 7.306 389 HD1 PHE 52 1HD PHE 52 -0.575 10.338 7.503 390 HD2 PHE 52 2HD PHE 52 3.305 10.129 5.767 391 HE1 PHE 52 1HE PHE 52 -0.632 12.764 7.090 392 HE2 PHE 52 2HE PHE 52 3.258 12.552 5.358 393 HZ PHE 52 HZ PHE 52 1.288 13.874 6.020 394 H THR 53 H THR 53 1.328 6.594 9.546 395 HA THR 53 HA THR 53 2.283 4.160 8.211 396 HB THR 53 HB THR 53 2.061 3.145 10.598 397 HG1 THR 53 1HG THR 53 2.640 5.825 11.279 398 1HG2 THR 53 1HG2 THR 53 4.401 4.092 11.177 399 2HG2 THR 53 2HG2 THR 53 4.313 4.792 9.560 400 3HG2 THR 53 3HG2 THR 53 4.194 3.043 9.773 401 H VAL 54 H VAL 54 0.820 2.753 7.602 402 HA VAL 54 HA VAL 54 -1.957 3.133 8.496 403 HB VAL 54 HB VAL 54 -0.932 1.653 6.055 404 1HG1 VAL 54 1HG1 VAL 54 -3.307 1.258 7.343 405 2HG1 VAL 54 2HG1 VAL 54 -3.025 0.972 5.627 406 3HG1 VAL 54 3HG1 VAL 54 -3.737 2.493 6.160 407 1HG2 VAL 54 1HG2 VAL 54 -1.591 3.504 4.747 408 2HG2 VAL 54 2HG2 VAL 54 -0.653 4.170 6.085 409 3HG2 VAL 54 3HG2 VAL 54 -2.414 4.270 6.107 410 H THR 55 H THR 55 -2.285 1.880 10.242 411 HA THR 55 HA THR 55 -1.103 -0.781 10.330 412 HB THR 55 HB THR 55 -2.654 0.648 12.485 413 HG1 THR 55 1HG THR 55 0.131 0.504 11.976 414 1HG2 THR 55 1HG2 THR 55 -2.591 -1.663 12.991 415 2HG2 THR 55 2HG2 THR 55 -1.346 -0.886 13.969 416 3HG2 THR 55 3HG2 THR 55 -0.895 -1.786 12.518 417 H GLU 56 H GLU 56 -2.198 -2.387 9.463 418 HA GLU 56 HA GLU 56 -4.838 -2.437 8.698 419 1HB GLU 56 2HB GLU 56 -3.244 -4.084 7.921 420 2HB GLU 56 1HB GLU 56 -3.054 -4.723 9.548 421 1HG GLU 56 2HG GLU 56 -4.441 -6.169 8.166 422 2HG GLU 56 1HG GLU 56 -5.346 -5.516 9.530 423 1H MET 1 1HT MET 1 7.073 18.435 -3.636 424 2H MET 1 2HT MET 1 6.444 19.579 -2.560 425 3H MET 1 3HT MET 1 5.585 18.157 -2.878 426 HA MET 1 HA MET 1 8.297 18.044 -1.742 427 1HB MET 1 2HB MET 1 6.980 19.581 -0.347 428 2HB MET 1 1HB MET 1 5.702 18.379 -0.221 429 1HG MET 1 2HG MET 1 7.038 18.424 1.794 430 2HG MET 1 1HG MET 1 7.224 16.881 0.961 431 1HE MET 1 1HE MET 1 9.212 16.454 2.560 432 2HE MET 1 2HE MET 1 9.323 18.060 3.281 433 3HE MET 1 3HE MET 1 10.745 17.326 2.537 434 H GLN 2 H GLN 2 8.754 16.021 -0.847 435 HA GLN 2 HA GLN 2 6.906 13.886 -1.674 436 1HB GLN 2 2HB GLN 2 9.163 13.865 -2.699 437 2HB GLN 2 1HB GLN 2 9.871 13.727 -1.095 438 1HG GLN 2 2HG GLN 2 9.850 11.568 -2.092 439 2HG GLN 2 1HG GLN 2 8.649 11.589 -0.802 440 1HE2 GLN 2 1HE2 GLN 2 6.803 10.662 -1.297 441 2HE2 GLN 2 2HE2 GLN 2 6.119 10.524 -2.878 442 H TYR 3 H TYR 3 6.214 12.351 -0.218 443 HA TYR 3 HA TYR 3 7.162 12.645 2.554 444 1HB TYR 3 2HB TYR 3 4.312 12.236 1.633 445 2HB TYR 3 1HB TYR 3 4.841 12.151 3.310 446 HD1 TYR 3 1HD TYR 3 4.619 14.050 4.608 447 HD2 TYR 3 2HD TYR 3 5.007 14.481 0.391 448 HE1 TYR 3 1HE TYR 3 4.289 16.476 4.830 449 HE2 TYR 3 2HE TYR 3 4.683 16.909 0.605 450 HH TYR 3 HH TYR 3 4.959 18.659 2.349 451 H LYS 4 H LYS 4 7.067 10.767 3.860 452 HA LYS 4 HA LYS 4 7.270 8.296 2.299 453 1HB LYS 4 2HB LYS 4 9.196 8.875 3.693 454 2HB LYS 4 1HB LYS 4 8.168 8.937 5.115 455 1HG LYS 4 2HG LYS 4 9.384 6.870 5.104 456 2HG LYS 4 1HG LYS 4 7.675 6.535 4.825 457 1HD LYS 4 2HD LYS 4 9.054 5.196 3.339 458 2HD LYS 4 1HD LYS 4 8.118 6.372 2.413 459 1HE LYS 4 2HE LYS 4 10.058 7.822 2.248 460 2HE LYS 4 1HE LYS 4 10.998 6.710 3.242 461 1HZ LYS 4 1HZ LYS 4 11.374 5.371 1.511 462 2HZ LYS 4 2HZ LYS 4 10.928 6.690 0.551 463 3HZ LYS 4 3HZ LYS 4 9.792 5.491 0.922 464 H VAL 5 H VAL 5 5.807 6.731 2.454 465 HA VAL 5 HA VAL 5 3.838 6.877 4.640 466 HB VAL 5 HB VAL 5 3.358 5.888 1.825 467 1HG1 VAL 5 1HG1 VAL 5 2.044 5.129 4.106 468 2HG1 VAL 5 2HG1 VAL 5 1.371 5.085 2.479 469 3HG1 VAL 5 3HG1 VAL 5 1.054 6.467 3.528 470 1HG2 VAL 5 1HG2 VAL 5 1.662 8.030 2.391 471 2HG2 VAL 5 2HG2 VAL 5 3.045 8.024 1.296 472 3HG2 VAL 5 3HG2 VAL 5 3.251 8.529 2.973 473 H ILE 6 H ILE 6 3.979 5.239 5.989 474 HA ILE 6 HA ILE 6 5.221 2.739 5.095 475 HB ILE 6 HB ILE 6 4.773 3.858 7.860 476 1HG1 ILE 6 2HG1 ILE 6 7.291 3.336 6.266 477 2HG1 ILE 6 1HG1 ILE 6 6.595 4.917 6.614 478 1HG2 ILE 6 1HG2 ILE 6 5.846 1.192 6.989 479 2HG2 ILE 6 2HG2 ILE 6 4.522 1.532 8.103 480 3HG2 ILE 6 3HG2 ILE 6 6.183 1.888 8.575 481 1HD1 ILE 6 1HD1 ILE 6 8.029 4.940 8.319 482 2HD1 ILE 6 2HD1 ILE 6 8.274 3.195 8.262 483 3HD1 ILE 6 3HD1 ILE 6 6.880 3.863 9.111 484 H LEU 7 H LEU 7 4.001 0.987 4.775 485 HA LEU 7 HA LEU 7 1.268 0.980 5.854 486 1HB LEU 7 2HB LEU 7 2.315 -0.798 3.664 487 2HB LEU 7 1HB LEU 7 0.648 -0.406 4.038 488 HG LEU 7 HG LEU 7 2.682 1.475 2.857 489 1HD1 LEU 7 1HD1 LEU 7 1.675 -0.382 1.425 490 2HD1 LEU 7 2HD1 LEU 7 1.535 1.272 0.831 491 3HD1 LEU 7 3HD1 LEU 7 0.149 0.487 1.590 492 1HD2 LEU 7 1HD2 LEU 7 -0.246 2.007 3.260 493 2HD2 LEU 7 2HD2 LEU 7 1.036 3.147 2.849 494 3HD2 LEU 7 3HD2 LEU 7 0.962 2.449 4.466 495 H ASN 8 H ASN 8 1.588 0.104 7.880 496 HA ASN 8 HA ASN 8 2.943 -2.495 8.042 497 1HB ASN 8 2HB ASN 8 2.173 -0.555 10.224 498 2HB ASN 8 1HB ASN 8 2.923 -2.122 10.505 499 1HD2 ASN 8 1HD2 ASN 8 3.611 0.953 10.596 500 2HD2 ASN 8 2HD2 ASN 8 5.244 0.963 10.038 501 H GLY 9 H GLY 9 1.604 -4.175 7.754 502 1HA GLY 9 2HA GLY 9 -1.029 -4.057 9.096 503 2HA GLY 9 1HA GLY 9 -0.737 -4.939 7.605 504 H LYS 10 H LYS 10 -1.744 -6.686 8.887 505 HA LYS 10 HA LYS 10 -0.232 -7.835 11.041 506 1HB LYS 10 2HB LYS 10 -2.535 -8.971 9.445 507 2HB LYS 10 1HB LYS 10 -1.885 -9.657 10.927 508 1HG LYS 10 2HG LYS 10 -3.197 -6.961 10.661 509 2HG LYS 10 1HG LYS 10 -3.931 -8.413 11.345 510 1HD LYS 10 2HD LYS 10 -2.223 -8.449 13.098 511 2HD LYS 10 1HD LYS 10 -1.491 -6.995 12.414 512 1HE LYS 10 2HE LYS 10 -2.907 -6.457 14.330 513 2HE LYS 10 1HE LYS 10 -3.542 -5.748 12.845 514 1HZ LYS 10 1HZ LYS 10 -4.556 -8.383 13.538 515 2HZ LYS 10 2HZ LYS 10 -5.368 -7.040 12.905 516 3HZ LYS 10 3HZ LYS 10 -5.029 -7.119 14.560 517 H THR 11 H THR 11 -1.067 -8.989 7.767 518 HA THR 11 HA THR 11 1.238 -10.790 7.860 519 HB THR 11 HB THR 11 -0.012 -11.775 5.823 520 HG1 THR 11 1HG THR 11 -2.328 -11.325 6.058 521 1HG2 THR 11 1HG2 THR 11 -0.594 -13.352 7.254 522 2HG2 THR 11 2HG2 THR 11 -1.918 -12.345 7.837 523 3HG2 THR 11 3HG2 THR 11 -0.328 -12.232 8.591 524 H LEU 12 H LEU 12 0.724 -7.770 6.887 525 HA LEU 12 HA LEU 12 2.494 -8.085 4.577 526 1HB LEU 12 2HB LEU 12 0.245 -7.802 3.710 527 2HB LEU 12 1HB LEU 12 0.027 -6.356 4.674 528 HG LEU 12 HG LEU 12 1.620 -5.152 3.348 529 1HD1 LEU 12 1HD1 LEU 12 2.289 -6.793 1.227 530 2HD1 LEU 12 2HD1 LEU 12 2.473 -7.821 2.645 531 3HD1 LEU 12 3HD1 LEU 12 3.348 -6.301 2.550 532 1HD2 LEU 12 1HD2 LEU 12 0.365 -6.334 1.042 533 2HD2 LEU 12 2HD2 LEU 12 0.098 -4.755 1.780 534 3HD2 LEU 12 3HD2 LEU 12 -0.787 -6.164 2.367 535 H LYS 13 H LYS 13 4.114 -6.674 4.444 536 HA LYS 13 HA LYS 13 4.099 -4.263 6.127 537 1HB LYS 13 2HB LYS 13 6.420 -6.200 5.984 538 2HB LYS 13 1HB LYS 13 6.357 -4.713 6.918 539 1HG LYS 13 2HG LYS 13 4.601 -7.115 7.378 540 2HG LYS 13 1HG LYS 13 6.061 -6.730 8.290 541 1HD LYS 13 2HD LYS 13 5.037 -4.607 8.996 542 2HD LYS 13 1HD LYS 13 3.565 -5.044 8.124 543 1HE LYS 13 2HE LYS 13 4.785 -6.493 10.471 544 2HE LYS 13 1HE LYS 13 3.289 -5.559 10.464 545 1HZ LYS 13 1HZ LYS 13 2.390 -7.584 10.158 546 2HZ LYS 13 2HZ LYS 13 3.797 -8.250 9.497 547 3HZ LYS 13 3HZ LYS 13 2.776 -7.308 8.534 548 H GLY 14 H GLY 14 5.095 -2.502 5.157 549 1HA GLY 14 2HA GLY 14 7.053 -2.761 3.117 550 2HA GLY 14 1HA GLY 14 5.475 -2.493 2.402 551 H GLU 15 H GLU 15 6.962 -0.646 1.643 552 HA GLU 15 HA GLU 15 6.265 1.691 3.244 553 1HB GLU 15 2HB GLU 15 9.052 1.181 2.183 554 2HB GLU 15 1HB GLU 15 8.507 2.673 2.935 555 1HG GLU 15 2HG GLU 15 8.102 1.480 5.024 556 2HG GLU 15 1HG GLU 15 8.642 -0.021 4.272 557 H THR 16 H THR 16 5.810 3.495 2.053 558 HA THR 16 HA THR 16 6.293 3.442 -0.825 559 HB THR 16 HB THR 16 4.158 2.553 -0.915 560 HG1 THR 16 1HG THR 16 3.578 5.299 -0.755 561 1HG2 THR 16 1HG2 THR 16 3.269 2.384 1.170 562 2HG2 THR 16 2HG2 THR 16 2.275 3.684 0.512 563 3HG2 THR 16 3HG2 THR 16 3.625 4.062 1.579 564 H THR 17 H THR 17 5.602 5.613 -1.841 565 HA THR 17 HA THR 17 5.804 7.831 0.054 566 HB THR 17 HB THR 17 7.617 8.880 -1.262 567 HG1 THR 17 1HG THR 17 7.641 6.379 -2.590 568 1HG2 THR 17 1HG2 THR 17 8.234 6.172 -0.125 569 2HG2 THR 17 2HG2 THR 17 8.333 7.734 0.688 570 3HG2 THR 17 3HG2 THR 17 9.458 7.345 -0.614 571 H THR 18 H THR 18 4.382 9.338 -0.411 572 HA THR 18 HA THR 18 3.370 9.611 -3.178 573 HB THR 18 HB THR 18 1.675 8.983 -1.482 574 HG1 THR 18 1HG THR 18 1.165 10.382 -3.275 575 1HG2 THR 18 1HG2 THR 18 0.975 11.020 0.002 576 2HG2 THR 18 2HG2 THR 18 2.695 11.403 -0.094 577 3HG2 THR 18 3HG2 THR 18 2.172 9.853 0.565 578 H GLU 19 H GLU 19 3.216 11.675 -4.090 579 HA GLU 19 HA GLU 19 4.824 13.738 -2.737 580 1HB GLU 19 2HB GLU 19 5.621 12.914 -4.956 581 2HB GLU 19 1HB GLU 19 4.131 13.508 -5.674 582 1HG GLU 19 2HG GLU 19 6.136 15.239 -4.245 583 2HG GLU 19 1HG GLU 19 6.083 14.999 -5.991 584 H ALA 20 H ALA 20 3.683 15.346 -1.814 585 HA ALA 20 HA ALA 20 1.406 16.453 -3.243 586 1HB ALA 20 1HB ALA 20 0.903 15.919 -0.375 587 2HB ALA 20 2HB ALA 20 0.817 14.552 -1.487 588 3HB ALA 20 3HB ALA 20 -0.216 15.958 -1.739 589 H VAL 21 H VAL 21 0.852 18.530 -2.651 590 HA VAL 21 HA VAL 21 2.856 20.294 -2.010 591 HB VAL 21 HB VAL 21 -0.061 20.800 -1.427 592 1HG1 VAL 21 1HG1 VAL 21 1.651 22.903 -2.562 593 2HG1 VAL 21 2HG1 VAL 21 2.050 22.409 -0.916 594 3HG1 VAL 21 3HG1 VAL 21 0.428 22.990 -1.295 595 1HG2 VAL 21 1HG2 VAL 21 0.107 21.776 -3.845 596 2HG2 VAL 21 2HG2 VAL 21 -0.191 20.055 -3.600 597 3HG2 VAL 21 3HG2 VAL 21 1.430 20.619 -4.006 598 H ASP 22 H ASP 22 0.597 18.739 0.197 599 HA ASP 22 HA ASP 22 2.312 19.516 2.420 600 1HB ASP 22 2HB ASP 22 0.482 20.349 3.796 601 2HB ASP 22 1HB ASP 22 0.619 21.298 2.319 602 H ALA 23 H ALA 23 1.453 18.472 4.532 603 HA ALA 23 HA ALA 23 1.509 15.711 4.201 604 1HB ALA 23 1HB ALA 23 2.234 16.515 6.272 605 2HB ALA 23 2HB ALA 23 0.717 15.693 6.636 606 3HB ALA 23 3HB ALA 23 0.762 17.453 6.524 607 H ALA 24 H ALA 24 -1.250 17.854 4.762 608 HA ALA 24 HA ALA 24 -3.185 15.820 5.019 609 1HB ALA 24 1HB ALA 24 -3.242 18.517 5.285 610 2HB ALA 24 2HB ALA 24 -4.683 17.505 5.178 611 3HB ALA 24 3HB ALA 24 -4.073 18.323 3.741 612 H THR 25 H THR 25 -2.313 17.816 2.187 613 HA THR 25 HA THR 25 -3.922 16.572 0.311 614 HB THR 25 HB THR 25 -2.246 17.341 -1.349 615 HG1 THR 25 1HG THR 25 -0.287 17.704 -0.797 616 1HG2 THR 25 1HG2 THR 25 -3.717 19.058 -0.782 617 2HG2 THR 25 2HG2 THR 25 -2.108 19.764 -0.615 618 3HG2 THR 25 3HG2 THR 25 -3.001 19.254 0.819 619 H ALA 26 H ALA 26 -0.653 15.772 1.405 620 HA ALA 26 HA ALA 26 -0.227 13.539 -0.245 621 1HB ALA 26 1HB ALA 26 1.243 12.832 1.828 622 2HB ALA 26 2HB ALA 26 0.901 14.481 2.351 623 3HB ALA 26 3HB ALA 26 1.709 14.195 0.809 624 H GLU 27 H GLU 27 -1.425 13.742 3.119 625 HA GLU 27 HA GLU 27 -1.984 11.106 3.591 626 1HB GLU 27 2HB GLU 27 -2.217 12.867 5.276 627 2HB GLU 27 1HB GLU 27 -3.616 13.507 4.424 628 1HG GLU 27 2HG GLU 27 -4.835 11.441 4.860 629 2HG GLU 27 1HG GLU 27 -3.432 10.788 5.702 630 H LYS 28 H LYS 28 -4.076 13.523 2.047 631 HA LYS 28 HA LYS 28 -6.255 11.810 1.553 632 1HB LYS 28 2HB LYS 28 -5.366 14.274 0.039 633 2HB LYS 28 1HB LYS 28 -6.938 13.501 -0.124 634 1HG LYS 28 2HG LYS 28 -5.830 14.832 2.337 635 2HG LYS 28 1HG LYS 28 -7.132 15.422 1.304 636 1HD LYS 28 2HD LYS 28 -8.486 13.473 1.896 637 2HD LYS 28 1HD LYS 28 -7.182 12.879 2.925 638 1HE LYS 28 2HE LYS 28 -8.897 13.996 4.249 639 2HE LYS 28 1HE LYS 28 -7.371 14.875 4.323 640 1HZ LYS 28 1HZ LYS 28 -8.229 16.633 3.233 641 2HZ LYS 28 2HZ LYS 28 -9.700 16.039 3.821 642 3HZ LYS 28 3HZ LYS 28 -9.222 15.695 2.236 643 H VAL 29 H VAL 29 -3.485 12.751 -0.449 644 HA VAL 29 HA VAL 29 -4.137 11.359 -2.762 645 HB VAL 29 HB VAL 29 -1.390 11.850 -1.595 646 1HG1 VAL 29 1HG1 VAL 29 -0.894 10.313 -3.209 647 2HG1 VAL 29 2HG1 VAL 29 -0.895 11.781 -4.187 648 3HG1 VAL 29 3HG1 VAL 29 -2.304 10.719 -4.186 649 1HG2 VAL 29 1HG2 VAL 29 -1.480 13.949 -2.369 650 2HG2 VAL 29 2HG2 VAL 29 -3.226 13.712 -2.398 651 3HG2 VAL 29 3HG2 VAL 29 -2.279 13.464 -3.865 652 H VAL 30 H VAL 30 -2.437 10.279 0.137 653 HA VAL 30 HA VAL 30 -1.879 7.660 -0.798 654 HB VAL 30 HB VAL 30 -2.212 8.634 2.049 655 1HG1 VAL 30 1HG1 VAL 30 -0.432 6.369 1.402 656 2HG1 VAL 30 2HG1 VAL 30 -2.163 6.054 1.304 657 3HG1 VAL 30 3HG1 VAL 30 -1.457 6.639 2.810 658 1HG2 VAL 30 1HG2 VAL 30 0.444 8.168 0.806 659 2HG2 VAL 30 2HG2 VAL 30 -0.031 9.302 2.069 660 3HG2 VAL 30 3HG2 VAL 30 -0.425 9.644 0.385 661 H LYS 31 H LYS 31 -4.478 9.015 1.265 662 HA LYS 31 HA LYS 31 -5.906 6.678 1.686 663 1HB LYS 31 2HB LYS 31 -6.882 9.515 1.421 664 2HB LYS 31 1HB LYS 31 -7.931 8.181 1.883 665 1HG LYS 31 2HG LYS 31 -6.384 7.732 3.787 666 2HG LYS 31 1HG LYS 31 -5.540 9.225 3.374 667 1HD LYS 31 2HD LYS 31 -7.087 9.733 5.116 668 2HD LYS 31 1HD LYS 31 -7.731 10.420 3.622 669 1HE LYS 31 2HE LYS 31 -9.218 8.502 3.374 670 2HE LYS 31 1HE LYS 31 -8.556 7.785 4.844 671 1HZ LYS 31 1HZ LYS 31 -9.594 10.487 5.105 672 2HZ LYS 31 2HZ LYS 31 -9.735 9.167 6.151 673 3HZ LYS 31 3HZ LYS 31 -10.747 9.287 4.803 674 H GLN 32 H GLN 32 -6.079 8.942 -1.028 675 HA GLN 32 HA GLN 32 -8.196 7.667 -2.388 676 1HB GLN 32 2HB GLN 32 -7.352 9.931 -2.960 677 2HB GLN 32 1HB GLN 32 -5.869 9.208 -3.565 678 1HG GLN 32 2HG GLN 32 -7.296 9.746 -5.409 679 2HG GLN 32 1HG GLN 32 -7.174 7.996 -5.259 680 1HE2 GLN 32 1HE2 GLN 32 -9.150 9.272 -2.834 681 2HE2 GLN 32 2HE2 GLN 32 -10.675 8.971 -3.581 682 H PHE 33 H PHE 33 -4.741 7.161 -2.320 683 HA PHE 33 HA PHE 33 -4.362 5.380 -4.404 684 1HB PHE 33 2HB PHE 33 -2.624 6.431 -2.900 685 2HB PHE 33 1HB PHE 33 -3.050 5.244 -1.676 686 HD1 PHE 33 1HD PHE 33 -1.809 5.544 -5.159 687 HD2 PHE 33 2HD PHE 33 -1.956 3.203 -1.600 688 HE1 PHE 33 1HE PHE 33 -0.150 3.989 -6.102 689 HE2 PHE 33 2HE PHE 33 -0.299 1.652 -2.551 690 HZ PHE 33 HZ PHE 33 0.604 2.054 -4.808 691 H PHE 34 H PHE 34 -4.774 4.494 -1.007 692 HA PHE 34 HA PHE 34 -5.376 1.758 -1.516 693 1HB PHE 34 2HB PHE 34 -5.898 3.383 0.974 694 2HB PHE 34 1HB PHE 34 -5.865 1.620 0.866 695 HD1 PHE 34 1HD PHE 34 -3.638 0.870 -0.579 696 HD2 PHE 34 2HD PHE 34 -4.025 4.231 1.984 697 HE1 PHE 34 1HE PHE 34 -1.201 0.907 -0.273 698 HE2 PHE 34 2HE PHE 34 -1.588 4.272 2.311 699 HZ PHE 34 HZ PHE 34 -0.179 2.608 1.164 700 H ASN 35 H ASN 35 -7.368 4.586 -0.896 701 HA ASN 35 HA ASN 35 -9.871 3.445 -0.577 702 1HB ASN 35 2HB ASN 35 -9.403 5.858 -0.394 703 2HB ASN 35 1HB ASN 35 -9.127 5.941 -2.129 704 1HD2 ASN 35 1HD2 ASN 35 -11.157 6.941 -0.013 705 2HD2 ASN 35 2HD2 ASN 35 -12.671 6.745 -0.824 706 H ASP 36 H ASP 36 -8.007 4.082 -3.459 707 HA ASP 36 HA ASP 36 -10.061 2.951 -5.197 708 1HB ASP 36 2HB ASP 36 -7.456 4.331 -5.840 709 2HB ASP 36 1HB ASP 36 -8.575 3.709 -7.048 710 H ASN 37 H ASN 37 -6.968 2.055 -3.835 711 HA ASN 37 HA ASN 37 -6.477 -0.050 -5.746 712 1HB ASN 37 2HB ASN 37 -5.245 0.516 -3.039 713 2HB ASN 37 1HB ASN 37 -4.738 -0.799 -4.091 714 1HD2 ASN 37 1HD2 ASN 37 -3.502 1.798 -3.048 715 2HD2 ASN 37 2HD2 ASN 37 -2.818 2.503 -4.471 716 H GLY 38 H GLY 38 -7.820 0.264 -2.553 717 1HA GLY 38 2HA GLY 38 -8.249 -1.772 -1.183 718 2HA GLY 38 1HA GLY 38 -9.698 -1.089 -1.886 719 H VAL 39 H VAL 39 -11.005 -2.487 -2.762 720 HA VAL 39 HA VAL 39 -10.169 -5.194 -3.144 721 HB VAL 39 HB VAL 39 -12.865 -3.937 -3.532 722 1HG1 VAL 39 1HG1 VAL 39 -13.118 -5.899 -4.695 723 2HG1 VAL 39 2HG1 VAL 39 -13.492 -6.451 -3.064 724 3HG1 VAL 39 3HG1 VAL 39 -11.894 -6.744 -3.748 725 1HG2 VAL 39 1HG2 VAL 39 -12.993 -5.504 -1.303 726 2HG2 VAL 39 2HG2 VAL 39 -12.758 -3.756 -1.307 727 3HG2 VAL 39 3HG2 VAL 39 -11.365 -4.833 -1.192 728 H ASP 40 H ASP 40 -11.801 -2.925 -5.437 729 HA ASP 40 HA ASP 40 -11.290 -4.819 -7.551 730 1HB ASP 40 2HB ASP 40 -12.684 -2.144 -7.569 731 2HB ASP 40 1HB ASP 40 -12.594 -3.243 -8.943 732 H GLY 41 H GLY 41 -8.975 -3.295 -6.355 733 1HA GLY 41 2HA GLY 41 -8.111 -1.370 -8.245 734 2HA GLY 41 1HA GLY 41 -7.074 -2.241 -7.122 735 H GLU 42 H GLU 42 -6.631 -1.529 -9.961 736 HA GLU 42 HA GLU 42 -6.782 -3.993 -11.451 737 1HB GLU 42 2HB GLU 42 -5.276 -1.434 -12.041 738 2HB GLU 42 1HB GLU 42 -5.493 -2.767 -13.166 739 1HG GLU 42 2HG GLU 42 -7.908 -2.409 -13.127 740 2HG GLU 42 1HG GLU 42 -7.689 -1.071 -12.000 741 H TRP 43 H TRP 43 -5.628 -5.534 -10.275 742 HA TRP 43 HA TRP 43 -2.802 -4.982 -9.732 743 1HB TRP 43 2HB TRP 43 -4.521 -7.304 -8.852 744 2HB TRP 43 1HB TRP 43 -2.866 -6.999 -8.347 745 HD1 TRP 43 HD TRP 43 -5.248 -4.031 -8.434 746 HE1 TRP 43 1HE TRP 43 -5.782 -3.324 -6.019 747 HE3 TRP 43 3HE TRP 43 -3.063 -7.923 -5.973 748 HZ2 TRP 43 2HZ TRP 43 -5.312 -4.288 -3.412 749 HZ3 TRP 43 3HZ TRP 43 -3.140 -7.957 -3.520 750 HH2 TRP 43 HH TRP 43 -4.239 -6.176 -2.264 751 H THR 44 H THR 44 -1.242 -5.776 -10.974 752 HA THR 44 HA THR 44 -1.868 -8.026 -12.767 753 HB THR 44 HB THR 44 0.079 -7.254 -14.108 754 HG1 THR 44 1HG THR 44 1.075 -6.140 -12.281 755 1HG2 THR 44 1HG2 THR 44 -1.670 -4.862 -13.750 756 2HG2 THR 44 2HG2 THR 44 -2.307 -6.353 -14.446 757 3HG2 THR 44 3HG2 THR 44 -0.958 -5.522 -15.222 758 H TYR 45 H TYR 45 -0.569 -9.863 -12.689 759 HA TYR 45 HA TYR 45 1.374 -9.907 -10.476 760 1HB TYR 45 2HB TYR 45 -0.590 -11.331 -10.108 761 2HB TYR 45 1HB TYR 45 -0.258 -12.186 -11.610 762 HD1 TYR 45 1HD TYR 45 2.197 -11.120 -9.035 763 HD2 TYR 45 2HD TYR 45 0.143 -14.373 -10.851 764 HE1 TYR 45 1HE TYR 45 3.629 -12.699 -7.811 765 HE2 TYR 45 2HE TYR 45 1.567 -15.961 -9.630 766 HH TYR 45 HH TYR 45 3.693 -16.059 -8.530 767 H ASP 46 H ASP 46 3.372 -10.769 -10.740 768 HA ASP 46 HA ASP 46 4.101 -11.686 -13.441 769 1HB ASP 46 2HB ASP 46 4.975 -9.420 -13.050 770 2HB ASP 46 1HB ASP 46 5.766 -9.976 -11.577 771 H ASP 47 H ASP 47 3.776 -13.849 -12.672 772 HA ASP 47 HA ASP 47 4.823 -15.033 -10.431 773 1HB ASP 47 2HB ASP 47 4.617 -16.240 -13.197 774 2HB ASP 47 1HB ASP 47 4.815 -17.153 -11.704 775 H ALA 48 H ALA 48 6.485 -14.275 -13.440 776 HA ALA 48 HA ALA 48 8.825 -15.715 -13.106 777 1HB ALA 48 1HB ALA 48 7.912 -13.951 -14.951 778 2HB ALA 48 2HB ALA 48 9.555 -14.593 -14.908 779 3HB ALA 48 3HB ALA 48 9.204 -13.018 -14.197 780 H THR 49 H THR 49 7.828 -12.719 -11.576 781 HA THR 49 HA THR 49 10.386 -12.672 -10.113 782 HB THR 49 HB THR 49 9.969 -10.267 -9.743 783 HG1 THR 49 1HG THR 49 7.699 -10.297 -9.939 784 1HG2 THR 49 1HG2 THR 49 10.403 -11.430 -12.378 785 2HG2 THR 49 2HG2 THR 49 11.277 -10.149 -11.539 786 3HG2 THR 49 3HG2 THR 49 9.793 -9.776 -12.417 787 H LYS 50 H LYS 50 7.432 -13.809 -9.685 788 HA LYS 50 HA LYS 50 6.012 -14.147 -7.901 789 1HB LYS 50 2HB LYS 50 8.663 -13.800 -6.489 790 2HB LYS 50 1HB LYS 50 7.206 -14.382 -5.699 791 1HG LYS 50 2HG LYS 50 8.395 -15.736 -8.101 792 2HG LYS 50 1HG LYS 50 8.864 -16.131 -6.448 793 1HD LYS 50 2HD LYS 50 6.056 -16.272 -7.548 794 2HD LYS 50 1HD LYS 50 7.133 -17.651 -7.319 795 1HE LYS 50 2HE LYS 50 6.060 -15.827 -5.173 796 2HE LYS 50 1HE LYS 50 5.585 -17.499 -5.465 797 1HZ LYS 50 1HZ LYS 50 7.148 -18.021 -3.996 798 2HZ LYS 50 2HZ LYS 50 7.832 -16.475 -4.023 799 3HZ LYS 50 3HZ LYS 50 8.291 -17.623 -5.178 800 H THR 51 H THR 51 6.248 -11.404 -8.836 801 HA THR 51 HA THR 51 5.612 -10.006 -6.326 802 HB THR 51 HB THR 51 6.952 -8.850 -8.776 803 HG1 THR 51 1HG THR 51 8.716 -8.620 -7.332 804 1HG2 THR 51 1HG2 THR 51 5.497 -7.231 -7.570 805 2HG2 THR 51 2HG2 THR 51 7.210 -6.810 -7.583 806 3HG2 THR 51 3HG2 THR 51 6.483 -7.500 -6.133 807 H PHE 52 H PHE 52 4.040 -8.360 -6.422 808 HA PHE 52 HA PHE 52 2.213 -8.524 -8.735 809 1HB PHE 52 2HB PHE 52 1.427 -8.083 -5.842 810 2HB PHE 52 1HB PHE 52 0.336 -8.254 -7.211 811 HD1 PHE 52 1HD PHE 52 -0.720 -10.269 -7.423 812 HD2 PHE 52 2HD PHE 52 3.140 -10.154 -5.633 813 HE1 PHE 52 1HE PHE 52 -0.841 -12.693 -7.011 814 HE2 PHE 52 2HE PHE 52 3.028 -12.578 -5.225 815 HZ PHE 52 HZ PHE 52 1.035 -13.850 -5.914 816 H THR 53 H THR 53 1.302 -6.573 -9.438 817 HA THR 53 HA THR 53 2.298 -4.163 -8.089 818 HB THR 53 HB THR 53 2.134 -3.143 -10.480 819 HG1 THR 53 1HG THR 53 2.657 -5.838 -11.151 820 1HG2 THR 53 1HG2 THR 53 4.458 -4.146 -11.024 821 2HG2 THR 53 2HG2 THR 53 4.330 -4.844 -9.410 822 3HG2 THR 53 3HG2 THR 53 4.257 -3.093 -9.624 823 H VAL 54 H VAL 54 0.860 -2.720 -7.501 824 HA VAL 54 HA VAL 54 -1.912 -3.033 -8.433 825 HB VAL 54 HB VAL 54 -0.887 -1.579 -5.980 826 1HG1 VAL 54 1HG1 VAL 54 -3.233 -1.127 -7.300 827 2HG1 VAL 54 2HG1 VAL 54 -2.968 -0.846 -5.579 828 3HG1 VAL 54 3HG1 VAL 54 -3.709 -2.350 -6.123 829 1HG2 VAL 54 1HG2 VAL 54 -1.608 -3.413 -4.680 830 2HG2 VAL 54 2HG2 VAL 54 -0.668 -4.102 -6.005 831 3HG2 VAL 54 3HG2 VAL 54 -2.430 -4.159 -6.051 832 H THR 55 H THR 55 -2.185 -1.774 -10.183 833 HA THR 55 HA THR 55 -0.937 0.859 -10.255 834 HB THR 55 HB THR 55 -2.492 -0.533 -12.432 835 HG1 THR 55 1HG THR 55 0.288 -0.457 -11.883 836 1HG2 THR 55 1HG2 THR 55 -2.366 1.776 -12.936 837 2HG2 THR 55 2HG2 THR 55 -1.126 0.968 -13.897 838 3HG2 THR 55 3HG2 THR 55 -0.674 1.857 -12.441 839 H GLU 56 H GLU 56 -2.005 2.490 -9.404 840 HA GLU 56 HA GLU 56 -4.654 2.605 -8.675 841 1HB GLU 56 2HB GLU 56 -3.032 4.212 -7.876 842 2HB GLU 56 1HB GLU 56 -2.804 4.848 -9.498 843 1HG GLU 56 2HG GLU 56 -4.174 6.327 -8.136 844 2HG GLU 56 1HG GLU 56 -5.075 5.695 -9.514 Start of MODEL 16 1 1H MET 1 1HT MET 1 6.053 -19.737 2.181 2 2H MET 1 2HT MET 1 4.906 -18.498 2.271 3 3H MET 1 3HT MET 1 6.281 -18.449 3.256 4 HA MET 1 HA MET 1 7.708 -18.148 1.373 5 1HB MET 1 2HB MET 1 6.426 -19.522 -0.185 6 2HB MET 1 1HB MET 1 5.123 -18.342 -0.188 7 1HG MET 1 2HG MET 1 6.470 -18.170 -2.199 8 2HG MET 1 1HG MET 1 6.589 -16.703 -1.228 9 1HE MET 1 1HE MET 1 8.879 -17.564 -3.613 10 2HE MET 1 2HE MET 1 10.114 -16.699 -2.699 11 3HE MET 1 3HE MET 1 8.469 -16.069 -2.774 12 H GLN 2 H GLN 2 8.234 -16.070 0.705 13 HA GLN 2 HA GLN 2 6.397 -13.976 1.640 14 1HB GLN 2 2HB GLN 2 8.586 -14.008 2.750 15 2HB GLN 2 1HB GLN 2 9.385 -13.870 1.189 16 1HG GLN 2 2HG GLN 2 8.374 -11.675 0.858 17 2HG GLN 2 1HG GLN 2 7.565 -11.812 2.419 18 1HE2 GLN 2 1HE2 GLN 2 8.518 -10.698 3.950 19 2HE2 GLN 2 2HE2 GLN 2 10.212 -10.405 4.103 20 H TYR 3 H TYR 3 5.763 -12.337 0.304 21 HA TYR 3 HA TYR 3 6.725 -12.458 -2.477 22 1HB TYR 3 2HB TYR 3 3.903 -11.962 -1.510 23 2HB TYR 3 1HB TYR 3 4.431 -11.782 -3.180 24 HD1 TYR 3 1HD TYR 3 4.245 -13.591 -4.622 25 HD2 TYR 3 2HD TYR 3 4.355 -14.302 -0.427 26 HE1 TYR 3 1HE TYR 3 3.804 -15.975 -5.020 27 HE2 TYR 3 2HE TYR 3 3.918 -16.691 -0.816 28 HH TYR 3 HH TYR 3 4.421 -18.281 -3.244 29 H LYS 4 H LYS 4 6.990 -10.525 -3.564 30 HA LYS 4 HA LYS 4 7.083 -8.154 -1.835 31 1HB LYS 4 2HB LYS 4 9.178 -8.929 -2.969 32 2HB LYS 4 1HB LYS 4 8.411 -8.600 -4.515 33 1HG LYS 4 2HG LYS 4 9.898 -6.797 -3.888 34 2HG LYS 4 1HG LYS 4 8.225 -6.237 -3.919 35 1HD LYS 4 2HD LYS 4 8.083 -6.323 -1.531 36 2HD LYS 4 1HD LYS 4 9.652 -7.120 -1.414 37 1HE LYS 4 2HE LYS 4 10.739 -5.125 -2.301 38 2HE LYS 4 1HE LYS 4 9.174 -4.332 -2.455 39 1HZ LYS 4 1HZ LYS 4 10.139 -3.564 -0.461 40 2HZ LYS 4 2HZ LYS 4 10.561 -5.122 0.040 41 3HZ LYS 4 3HZ LYS 4 8.936 -4.658 0.002 42 H VAL 5 H VAL 5 5.162 -7.116 -1.974 43 HA VAL 5 HA VAL 5 3.849 -6.916 -4.571 44 HB VAL 5 HB VAL 5 2.873 -6.012 -1.859 45 1HG1 VAL 5 1HG1 VAL 5 0.848 -6.514 -3.860 46 2HG1 VAL 5 2HG1 VAL 5 1.972 -5.259 -4.382 47 3HG1 VAL 5 3HG1 VAL 5 1.109 -5.089 -2.854 48 1HG2 VAL 5 1HG2 VAL 5 1.719 -8.005 -1.646 49 2HG2 VAL 5 2HG2 VAL 5 3.243 -8.530 -2.360 50 3HG2 VAL 5 3HG2 VAL 5 1.807 -8.361 -3.371 51 H ILE 6 H ILE 6 4.013 -5.229 -5.808 52 HA ILE 6 HA ILE 6 5.154 -2.741 -4.752 53 HB ILE 6 HB ILE 6 4.944 -3.800 -7.572 54 1HG1 ILE 6 2HG1 ILE 6 7.332 -3.204 -5.818 55 2HG1 ILE 6 1HG1 ILE 6 6.700 -4.807 -6.167 56 1HG2 ILE 6 1HG2 ILE 6 6.323 -1.781 -8.159 57 2HG2 ILE 6 2HG2 ILE 6 5.891 -1.126 -6.580 58 3HG2 ILE 6 3HG2 ILE 6 4.632 -1.467 -7.767 59 1HD1 ILE 6 1HD1 ILE 6 7.095 -4.068 -8.651 60 2HD1 ILE 6 2HD1 ILE 6 8.418 -4.684 -7.661 61 3HD1 ILE 6 3HD1 ILE 6 8.233 -2.947 -7.903 62 H LEU 7 H LEU 7 3.952 -0.945 -4.606 63 HA LEU 7 HA LEU 7 1.260 -0.987 -5.799 64 1HB LEU 7 2HB LEU 7 2.129 0.845 -3.580 65 2HB LEU 7 1HB LEU 7 0.505 0.341 -4.011 66 HG LEU 7 HG LEU 7 2.611 -1.358 -2.685 67 1HD1 LEU 7 1HD1 LEU 7 1.566 0.273 -1.206 68 2HD1 LEU 7 2HD1 LEU 7 1.056 -1.365 -0.804 69 3HD1 LEU 7 3HD1 LEU 7 -0.029 -0.295 -1.693 70 1HD2 LEU 7 1HD2 LEU 7 -0.195 -2.075 -3.527 71 2HD2 LEU 7 2HD2 LEU 7 0.903 -3.096 -2.597 72 3HD2 LEU 7 3HD2 LEU 7 1.291 -2.672 -4.262 73 H ASN 8 H ASN 8 2.048 -0.227 -7.842 74 HA ASN 8 HA ASN 8 3.309 2.388 -7.925 75 1HB ASN 8 2HB ASN 8 2.532 0.504 -10.152 76 2HB ASN 8 1HB ASN 8 3.401 2.020 -10.372 77 1HD2 ASN 8 1HD2 ASN 8 3.836 -1.132 -10.385 78 2HD2 ASN 8 2HD2 ASN 8 5.452 -1.248 -9.789 79 H GLY 9 H GLY 9 2.057 4.137 -7.743 80 1HA GLY 9 2HA GLY 9 -0.541 4.111 -9.156 81 2HA GLY 9 1HA GLY 9 -0.253 4.999 -7.667 82 H LYS 10 H LYS 10 -1.180 6.735 -9.102 83 HA LYS 10 HA LYS 10 0.591 7.808 -11.117 84 1HB LYS 10 2HB LYS 10 -1.933 8.949 -9.905 85 2HB LYS 10 1HB LYS 10 -1.090 9.608 -11.300 86 1HG LYS 10 2HG LYS 10 -1.507 7.492 -12.503 87 2HG LYS 10 1HG LYS 10 -2.439 6.921 -11.119 88 1HD LYS 10 2HD LYS 10 -3.068 9.404 -12.715 89 2HD LYS 10 1HD LYS 10 -3.841 7.837 -12.951 90 1HE LYS 10 2HE LYS 10 -5.312 9.104 -11.602 91 2HE LYS 10 1HE LYS 10 -4.531 7.946 -10.527 92 1HZ LYS 10 1HZ LYS 10 -3.091 10.410 -10.685 93 2HZ LYS 10 2HZ LYS 10 -3.667 9.586 -9.325 94 3HZ LYS 10 3HZ LYS 10 -4.682 10.648 -10.162 95 H THR 11 H THR 11 -0.736 9.047 -8.052 96 HA THR 11 HA THR 11 1.494 10.918 -7.846 97 HB THR 11 HB THR 11 0.015 11.755 -5.894 98 HG1 THR 11 1HG THR 11 -1.309 9.756 -6.099 99 1HG2 THR 11 1HG2 THR 11 -1.675 12.785 -7.548 100 2HG2 THR 11 2HG2 THR 11 -0.673 12.024 -8.783 101 3HG2 THR 11 3HG2 THR 11 0.032 13.209 -7.684 102 H LEU 12 H LEU 12 0.821 7.847 -6.942 103 HA LEU 12 HA LEU 12 2.558 8.063 -4.605 104 1HB LEU 12 2HB LEU 12 0.270 7.931 -3.771 105 2HB LEU 12 1HB LEU 12 -0.005 6.477 -4.711 106 HG LEU 12 HG LEU 12 1.467 5.211 -3.340 107 1HD1 LEU 12 1HD1 LEU 12 3.301 6.252 -2.625 108 2HD1 LEU 12 2HD1 LEU 12 2.315 6.826 -1.279 109 3HD1 LEU 12 3HD1 LEU 12 2.532 7.831 -2.705 110 1HD2 LEU 12 1HD2 LEU 12 -0.856 6.320 -2.414 111 2HD2 LEU 12 2HD2 LEU 12 0.281 6.672 -1.115 112 3HD2 LEU 12 3HD2 LEU 12 0.032 5.008 -1.643 113 H LYS 13 H LYS 13 4.033 6.493 -4.399 114 HA LYS 13 HA LYS 13 3.839 4.062 -6.000 115 1HB LYS 13 2HB LYS 13 6.179 5.972 -6.183 116 2HB LYS 13 1HB LYS 13 6.129 4.364 -6.890 117 1HG LYS 13 2HG LYS 13 4.292 5.042 -8.337 118 2HG LYS 13 1HG LYS 13 4.309 6.652 -7.614 119 1HD LYS 13 2HD LYS 13 6.592 5.380 -9.121 120 2HD LYS 13 1HD LYS 13 5.488 6.596 -9.768 121 1HE LYS 13 2HE LYS 13 7.358 6.956 -7.427 122 2HE LYS 13 1HE LYS 13 7.593 7.603 -9.050 123 1HZ LYS 13 1HZ LYS 13 5.493 8.849 -8.746 124 2HZ LYS 13 2HZ LYS 13 6.709 9.313 -7.666 125 3HZ LYS 13 3HZ LYS 13 5.441 8.326 -7.138 126 H GLY 14 H GLY 14 5.011 2.329 -5.122 127 1HA GLY 14 2HA GLY 14 7.006 2.582 -3.160 128 2HA GLY 14 1HA GLY 14 5.458 2.430 -2.350 129 H GLU 15 H GLU 15 6.603 0.516 -1.479 130 HA GLU 15 HA GLU 15 5.823 -1.817 -3.024 131 1HB GLU 15 2HB GLU 15 8.619 -1.549 -1.908 132 2HB GLU 15 1HB GLU 15 7.958 -2.938 -2.758 133 1HG GLU 15 2HG GLU 15 7.728 -1.592 -4.783 134 2HG GLU 15 1HG GLU 15 8.407 -0.206 -3.932 135 H THR 16 H THR 16 5.659 -3.736 -1.750 136 HA THR 16 HA THR 16 5.963 -3.527 1.118 137 HB THR 16 HB THR 16 3.820 -2.645 1.153 138 HG1 THR 16 1HG THR 16 3.269 -5.399 1.070 139 1HG2 THR 16 1HG2 THR 16 3.300 -4.271 -1.282 140 2HG2 THR 16 2HG2 THR 16 3.008 -2.559 -0.988 141 3HG2 THR 16 3HG2 THR 16 1.954 -3.772 -0.260 142 H THR 17 H THR 17 5.255 -5.670 2.191 143 HA THR 17 HA THR 17 5.525 -7.934 0.356 144 HB THR 17 HB THR 17 7.272 -8.939 1.824 145 HG1 THR 17 1HG THR 17 8.325 -7.608 3.280 146 1HG2 THR 17 1HG2 THR 17 7.915 -6.348 0.455 147 2HG2 THR 17 2HG2 THR 17 8.102 -7.989 -0.164 148 3HG2 THR 17 3HG2 THR 17 9.142 -7.413 1.139 149 H THR 18 H THR 18 4.004 -9.333 0.771 150 HA THR 18 HA THR 18 2.948 -9.640 3.521 151 HB THR 18 HB THR 18 1.303 -9.014 1.761 152 HG1 THR 18 1HG THR 18 0.708 -10.361 3.547 153 1HG2 THR 18 1HG2 THR 18 2.619 -10.987 0.220 154 2HG2 THR 18 2HG2 THR 18 1.278 -9.938 -0.241 155 3HG2 THR 18 3HG2 THR 18 0.957 -11.515 0.482 156 H GLU 19 H GLU 19 2.882 -11.687 4.454 157 HA GLU 19 HA GLU 19 4.503 -13.733 3.097 158 1HB GLU 19 2HB GLU 19 5.359 -12.991 5.269 159 2HB GLU 19 1HB GLU 19 3.830 -13.410 6.028 160 1HG GLU 19 2HG GLU 19 4.198 -15.760 5.474 161 2HG GLU 19 1HG GLU 19 5.730 -15.339 4.714 162 H ALA 20 H ALA 20 3.361 -15.310 2.126 163 HA ALA 20 HA ALA 20 1.150 -16.520 3.573 164 1HB ALA 20 1HB ALA 20 -0.524 -16.052 2.099 165 2HB ALA 20 2HB ALA 20 0.579 -15.834 0.740 166 3HB ALA 20 3HB ALA 20 0.426 -14.574 1.964 167 H VAL 21 H VAL 21 0.552 -18.558 2.848 168 HA VAL 21 HA VAL 21 2.551 -20.304 2.147 169 HB VAL 21 HB VAL 21 -0.353 -20.767 1.478 170 1HG1 VAL 21 1HG1 VAL 21 0.708 -22.617 0.662 171 2HG1 VAL 21 2HG1 VAL 21 0.470 -23.122 2.336 172 3HG1 VAL 21 3HG1 VAL 21 2.037 -22.502 1.816 173 1HG2 VAL 21 1HG2 VAL 21 -0.268 -21.837 3.856 174 2HG2 VAL 21 2HG2 VAL 21 -0.539 -20.103 3.673 175 3HG2 VAL 21 3HG2 VAL 21 1.062 -20.703 4.104 176 H ASP 22 H ASP 22 0.312 -18.652 -0.015 177 HA ASP 22 HA ASP 22 2.066 -19.335 -2.249 178 1HB ASP 22 2HB ASP 22 0.257 -20.072 -3.692 179 2HB ASP 22 1HB ASP 22 0.310 -21.074 -2.245 180 H ALA 23 H ALA 23 1.378 -18.118 -4.290 181 HA ALA 23 HA ALA 23 1.440 -15.391 -3.776 182 1HB ALA 23 1HB ALA 23 1.640 -17.017 -6.026 183 2HB ALA 23 2HB ALA 23 1.873 -15.271 -5.955 184 3HB ALA 23 3HB ALA 23 0.291 -15.933 -6.370 185 H ALA 24 H ALA 24 -1.320 -17.455 -4.564 186 HA ALA 24 HA ALA 24 -3.216 -15.375 -4.787 187 1HB ALA 24 1HB ALA 24 -4.701 -17.485 -3.897 188 2HB ALA 24 2HB ALA 24 -3.282 -18.303 -4.555 189 3HB ALA 24 3HB ALA 24 -4.232 -17.224 -5.577 190 H THR 25 H THR 25 -2.482 -17.546 -2.042 191 HA THR 25 HA THR 25 -4.159 -16.395 -0.169 192 HB THR 25 HB THR 25 -2.568 -17.288 1.515 193 HG1 THR 25 1HG THR 25 -0.595 -17.697 1.030 194 1HG2 THR 25 1HG2 THR 25 -3.482 -18.953 -0.743 195 2HG2 THR 25 2HG2 THR 25 -3.874 -19.052 0.973 196 3HG2 THR 25 3HG2 THR 25 -2.328 -19.663 0.383 197 H ALA 26 H ALA 26 -0.832 -15.571 -1.058 198 HA ALA 26 HA ALA 26 -0.488 -13.444 0.748 199 1HB ALA 26 1HB ALA 26 1.535 -13.897 -0.163 200 2HB ALA 26 2HB ALA 26 1.051 -12.679 -1.341 201 3HB ALA 26 3HB ALA 26 0.844 -14.391 -1.709 202 H GLU 27 H GLU 27 -1.507 -13.465 -2.677 203 HA GLU 27 HA GLU 27 -1.997 -10.781 -3.012 204 1HB GLU 27 2HB GLU 27 -2.062 -12.409 -4.838 205 2HB GLU 27 1HB GLU 27 -3.525 -13.117 -4.167 206 1HG GLU 27 2HG GLU 27 -4.721 -11.028 -4.555 207 2HG GLU 27 1HG GLU 27 -3.255 -10.309 -5.217 208 H LYS 28 H LYS 28 -4.235 -13.294 -1.845 209 HA LYS 28 HA LYS 28 -6.475 -11.665 -1.494 210 1HB LYS 28 2HB LYS 28 -5.625 -14.116 0.057 211 2HB LYS 28 1HB LYS 28 -7.220 -13.383 0.150 212 1HG LYS 28 2HG LYS 28 -5.962 -14.608 -2.295 213 2HG LYS 28 1HG LYS 28 -7.262 -15.296 -1.320 214 1HD LYS 28 2HD LYS 28 -8.690 -13.391 -1.895 215 2HD LYS 28 1HD LYS 28 -7.389 -12.717 -2.879 216 1HE LYS 28 2HE LYS 28 -9.035 -13.888 -4.256 217 2HE LYS 28 1HE LYS 28 -7.456 -14.669 -4.333 218 1HZ LYS 28 1HZ LYS 28 -8.354 -16.545 -3.614 219 2HZ LYS 28 2HZ LYS 28 -9.884 -15.828 -3.663 220 3HZ LYS 28 3HZ LYS 28 -8.980 -15.789 -2.235 221 H VAL 29 H VAL 29 -3.735 -12.309 0.611 222 HA VAL 29 HA VAL 29 -4.688 -11.067 2.932 223 HB VAL 29 HB VAL 29 -1.838 -11.263 1.940 224 1HG1 VAL 29 1HG1 VAL 29 -1.290 -11.072 4.381 225 2HG1 VAL 29 2HG1 VAL 29 -2.963 -10.577 4.643 226 3HG1 VAL 29 3HG1 VAL 29 -1.901 -9.598 3.630 227 1HG2 VAL 29 1HG2 VAL 29 -1.784 -13.390 2.624 228 2HG2 VAL 29 2HG2 VAL 29 -3.547 -13.312 2.604 229 3HG2 VAL 29 3HG2 VAL 29 -2.669 -13.025 4.107 230 H VAL 30 H VAL 30 -3.118 -9.780 0.066 231 HA VAL 30 HA VAL 30 -2.709 -7.156 1.056 232 HB VAL 30 HB VAL 30 -3.168 -7.928 -1.825 233 1HG1 VAL 30 1HG1 VAL 30 -2.129 -5.944 -2.409 234 2HG1 VAL 30 2HG1 VAL 30 -1.320 -5.790 -0.849 235 3HG1 VAL 30 3HG1 VAL 30 -3.048 -5.472 -0.981 236 1HG2 VAL 30 1HG2 VAL 30 -0.625 -8.068 -1.873 237 2HG2 VAL 30 2HG2 VAL 30 -1.487 -9.412 -1.122 238 3HG2 VAL 30 3HG2 VAL 30 -0.713 -8.188 -0.115 239 H LYS 31 H LYS 31 -5.295 -8.627 -0.941 240 HA LYS 31 HA LYS 31 -6.912 -6.443 -1.336 241 1HB LYS 31 2HB LYS 31 -7.565 -9.338 -0.895 242 2HB LYS 31 1HB LYS 31 -8.853 -8.160 -1.095 243 1HG LYS 31 2HG LYS 31 -8.372 -9.227 -3.200 244 2HG LYS 31 1HG LYS 31 -7.915 -7.526 -3.273 245 1HD LYS 31 2HD LYS 31 -5.570 -8.184 -2.818 246 2HD LYS 31 1HD LYS 31 -6.071 -9.876 -2.872 247 1HE LYS 31 2HE LYS 31 -6.353 -7.898 -5.129 248 2HE LYS 31 1HE LYS 31 -5.089 -9.118 -4.996 249 1HZ LYS 31 1HZ LYS 31 -7.591 -9.409 -6.136 250 2HZ LYS 31 2HZ LYS 31 -7.634 -10.316 -4.709 251 3HZ LYS 31 3HZ LYS 31 -6.440 -10.620 -5.868 252 H GLN 32 H GLN 32 -6.699 -8.508 1.509 253 HA GLN 32 HA GLN 32 -8.743 -7.148 2.971 254 1HB GLN 32 2HB GLN 32 -8.022 -9.454 3.526 255 2HB GLN 32 1HB GLN 32 -6.444 -8.836 3.994 256 1HG GLN 32 2HG GLN 32 -7.739 -9.240 5.960 257 2HG GLN 32 1HG GLN 32 -7.522 -7.504 5.762 258 1HE2 GLN 32 1HE2 GLN 32 -9.769 -8.671 3.533 259 2HE2 GLN 32 2HE2 GLN 32 -11.205 -8.273 4.401 260 H PHE 33 H PHE 33 -5.275 -6.882 2.644 261 HA PHE 33 HA PHE 33 -4.664 -5.083 4.668 262 1HB PHE 33 2HB PHE 33 -3.053 -6.300 3.144 263 2HB PHE 33 1HB PHE 33 -3.433 -5.118 1.899 264 HD1 PHE 33 1HD PHE 33 -2.251 -5.313 5.420 265 HD2 PHE 33 2HD PHE 33 -2.087 -3.235 1.693 266 HE1 PHE 33 1HE PHE 33 -0.499 -3.833 6.313 267 HE2 PHE 33 2HE PHE 33 -0.332 -1.764 2.595 268 HZ PHE 33 HZ PHE 33 0.461 -2.065 4.908 269 H PHE 34 H PHE 34 -5.395 -4.360 1.269 270 HA PHE 34 HA PHE 34 -5.614 -1.546 1.713 271 1HB PHE 34 2HB PHE 34 -6.417 -3.235 -0.652 272 2HB PHE 34 1HB PHE 34 -6.415 -1.471 -0.633 273 HD1 PHE 34 1HD PHE 34 -3.985 -0.889 0.865 274 HD2 PHE 34 2HD PHE 34 -4.712 -3.822 -2.130 275 HE1 PHE 34 1HE PHE 34 -1.596 -0.893 0.301 276 HE2 PHE 34 2HE PHE 34 -2.318 -3.827 -2.704 277 HZ PHE 34 HZ PHE 34 -0.766 -2.363 -1.477 278 H ASN 35 H ASN 35 -7.959 -4.153 1.305 279 HA ASN 35 HA ASN 35 -10.317 -2.738 1.165 280 1HB ASN 35 2HB ASN 35 -10.279 -5.158 1.021 281 2HB ASN 35 1HB ASN 35 -9.719 -5.287 2.685 282 1HD2 ASN 35 1HD2 ASN 35 -12.291 -5.717 0.825 283 2HD2 ASN 35 2HD2 ASN 35 -13.563 -5.409 1.949 284 H ASP 36 H ASP 36 -8.317 -3.447 3.927 285 HA ASP 36 HA ASP 36 -10.117 -2.024 5.732 286 1HB ASP 36 2HB ASP 36 -7.602 -3.599 6.306 287 2HB ASP 36 1HB ASP 36 -8.620 -2.847 7.530 288 H ASN 37 H ASN 37 -7.108 -1.473 4.054 289 HA ASN 37 HA ASN 37 -6.288 0.653 5.832 290 1HB ASN 37 2HB ASN 37 -5.320 -0.144 3.076 291 2HB ASN 37 1HB ASN 37 -4.655 1.210 3.983 292 1HD2 ASN 37 1HD2 ASN 37 -3.568 -1.444 3.030 293 2HD2 ASN 37 2HD2 ASN 37 -2.840 -2.125 4.442 294 H GLY 38 H GLY 38 -7.709 0.345 2.636 295 1HA GLY 38 2HA GLY 38 -8.143 2.362 1.283 296 2HA GLY 38 1HA GLY 38 -9.594 1.743 2.038 297 H VAL 39 H VAL 39 -10.828 3.261 2.778 298 HA VAL 39 HA VAL 39 -9.623 5.799 3.662 299 HB VAL 39 HB VAL 39 -12.418 5.259 2.715 300 1HG1 VAL 39 1HG1 VAL 39 -11.058 7.639 3.792 301 2HG1 VAL 39 2HG1 VAL 39 -12.771 7.219 3.779 302 3HG1 VAL 39 3HG1 VAL 39 -12.021 7.908 2.339 303 1HG2 VAL 39 1HG2 VAL 39 -11.313 6.814 0.797 304 2HG2 VAL 39 2HG2 VAL 39 -11.393 5.053 0.722 305 3HG2 VAL 39 3HG2 VAL 39 -9.920 5.845 1.281 306 H ASP 40 H ASP 40 -10.816 3.123 5.182 307 HA ASP 40 HA ASP 40 -11.984 4.780 7.311 308 1HB ASP 40 2HB ASP 40 -12.828 1.996 6.493 309 2HB ASP 40 1HB ASP 40 -13.459 2.882 7.878 310 H GLY 41 H GLY 41 -9.238 3.376 6.694 311 1HA GLY 41 2HA GLY 41 -8.999 1.596 8.969 312 2HA GLY 41 1HA GLY 41 -7.719 2.035 7.849 313 H GLU 42 H GLU 42 -6.839 1.934 10.262 314 HA GLU 42 HA GLU 42 -7.082 4.561 11.540 315 1HB GLU 42 2HB GLU 42 -5.701 2.041 12.485 316 2HB GLU 42 1HB GLU 42 -5.840 3.531 13.408 317 1HG GLU 42 2HG GLU 42 -8.270 3.297 13.428 318 2HG GLU 42 1HG GLU 42 -8.132 1.805 12.500 319 H TRP 43 H TRP 43 -5.824 5.976 10.440 320 HA TRP 43 HA TRP 43 -3.134 5.180 9.641 321 1HB TRP 43 2HB TRP 43 -4.721 7.681 9.055 322 2HB TRP 43 1HB TRP 43 -3.128 7.316 8.405 323 HD1 TRP 43 HD TRP 43 -6.119 4.849 8.560 324 HE1 TRP 43 1HE TRP 43 -6.669 4.144 6.141 325 HE3 TRP 43 3HE TRP 43 -2.842 7.868 6.067 326 HZ2 TRP 43 2HZ TRP 43 -5.823 4.783 3.534 327 HZ3 TRP 43 3HZ TRP 43 -2.774 7.765 3.618 328 HH2 TRP 43 HH TRP 43 -4.242 6.252 2.374 329 H THR 44 H THR 44 -1.463 5.580 10.918 330 HA THR 44 HA THR 44 -1.615 7.805 12.834 331 HB THR 44 HB THR 44 0.291 6.663 13.965 332 HG1 THR 44 1HG THR 44 -0.224 4.578 12.116 333 1HG2 THR 44 1HG2 THR 44 -0.940 5.082 15.087 334 2HG2 THR 44 2HG2 THR 44 -1.820 4.585 13.642 335 3HG2 THR 44 3HG2 THR 44 -2.199 6.121 14.419 336 H TYR 45 H TYR 45 -0.270 9.525 12.617 337 HA TYR 45 HA TYR 45 1.658 9.431 10.398 338 1HB TYR 45 2HB TYR 45 -0.183 11.076 10.200 339 2HB TYR 45 1HB TYR 45 0.360 11.838 11.690 340 HD1 TYR 45 1HD TYR 45 2.569 10.561 9.003 341 HD2 TYR 45 2HD TYR 45 0.860 13.991 10.849 342 HE1 TYR 45 1HE TYR 45 4.075 12.003 7.701 343 HE2 TYR 45 2HE TYR 45 2.360 15.444 9.552 344 HH TYR 45 HH TYR 45 4.700 15.133 8.416 345 H ASP 46 H ASP 46 3.755 10.146 10.655 346 HA ASP 46 HA ASP 46 4.601 10.717 13.420 347 1HB ASP 46 2HB ASP 46 5.268 8.447 12.750 348 2HB ASP 46 1HB ASP 46 6.094 9.103 11.340 349 H ASP 47 H ASP 47 4.472 12.961 12.936 350 HA ASP 47 HA ASP 47 5.565 14.360 10.855 351 1HB ASP 47 2HB ASP 47 5.646 15.187 13.764 352 2HB ASP 47 1HB ASP 47 5.764 16.265 12.377 353 H ALA 48 H ALA 48 7.251 13.053 13.660 354 HA ALA 48 HA ALA 48 9.678 14.304 13.512 355 1HB ALA 48 1HB ALA 48 10.396 11.719 14.126 356 2HB ALA 48 2HB ALA 48 8.694 11.786 14.582 357 3HB ALA 48 3HB ALA 48 9.838 12.942 15.268 358 H THR 49 H THR 49 8.470 11.784 11.383 359 HA THR 49 HA THR 49 10.935 12.077 9.798 360 HB THR 49 HB THR 49 10.740 9.699 9.153 361 HG1 THR 49 1HG THR 49 8.435 9.605 9.696 362 1HG2 THR 49 1HG2 THR 49 11.672 10.659 11.594 363 2HG2 THR 49 2HG2 THR 49 12.075 9.129 10.816 364 3HG2 THR 49 3HG2 THR 49 10.751 9.205 11.979 365 H LYS 50 H LYS 50 7.982 13.098 9.709 366 HA LYS 50 HA LYS 50 6.368 13.491 8.119 367 1HB LYS 50 2HB LYS 50 8.784 13.227 6.316 368 2HB LYS 50 1HB LYS 50 7.249 13.941 5.846 369 1HG LYS 50 2HG LYS 50 9.034 14.978 8.037 370 2HG LYS 50 1HG LYS 50 8.968 15.614 6.393 371 1HD LYS 50 2HD LYS 50 6.663 15.531 8.339 372 2HD LYS 50 1HD LYS 50 7.627 16.955 7.948 373 1HE LYS 50 2HE LYS 50 6.911 16.772 5.603 374 2HE LYS 50 1HE LYS 50 5.919 15.377 6.028 375 1HZ LYS 50 1HZ LYS 50 5.535 17.921 7.452 376 2HZ LYS 50 2HZ LYS 50 4.427 16.676 7.172 377 3HZ LYS 50 3HZ LYS 50 4.861 17.720 5.913 378 H THR 51 H THR 51 6.732 10.755 8.913 379 HA THR 51 HA THR 51 6.070 9.342 6.423 380 HB THR 51 HB THR 51 7.155 8.250 9.024 381 HG1 THR 51 1HG THR 51 8.617 9.432 7.612 382 1HG2 THR 51 1HG2 THR 51 5.650 6.788 7.361 383 2HG2 THR 51 2HG2 THR 51 7.014 6.140 8.272 384 3HG2 THR 51 3HG2 THR 51 7.224 6.608 6.585 385 H PHE 52 H PHE 52 4.250 8.120 6.267 386 HA PHE 52 HA PHE 52 2.283 8.432 8.435 387 1HB PHE 52 2HB PHE 52 1.893 7.896 5.480 388 2HB PHE 52 1HB PHE 52 0.591 7.947 6.662 389 HD1 PHE 52 1HD PHE 52 0.127 10.094 7.866 390 HD2 PHE 52 2HD PHE 52 2.747 9.863 4.521 391 HE1 PHE 52 1HE PHE 52 -0.084 12.525 7.538 392 HE2 PHE 52 2HE PHE 52 2.542 12.293 4.188 393 HZ PHE 52 HZ PHE 52 1.126 13.626 5.698 394 H THR 53 H THR 53 1.859 6.704 9.600 395 HA THR 53 HA THR 53 2.458 4.057 8.475 396 HB THR 53 HB THR 53 2.278 3.372 10.982 397 HG1 THR 53 1HG THR 53 2.327 4.923 12.393 398 1HG2 THR 53 1HG2 THR 53 4.673 4.178 11.366 399 2HG2 THR 53 2HG2 THR 53 4.575 4.801 9.718 400 3HG2 THR 53 3HG2 THR 53 4.361 3.075 10.025 401 H VAL 54 H VAL 54 0.929 2.683 8.069 402 HA VAL 54 HA VAL 54 -1.766 3.183 9.150 403 HB VAL 54 HB VAL 54 -1.045 1.813 6.543 404 1HG1 VAL 54 1HG1 VAL 54 -3.563 2.147 6.176 405 2HG1 VAL 54 2HG1 VAL 54 -3.653 2.359 7.925 406 3HG1 VAL 54 3HG1 VAL 54 -3.052 0.845 7.250 407 1HG2 VAL 54 1HG2 VAL 54 -2.484 3.961 5.813 408 2HG2 VAL 54 2HG2 VAL 54 -0.723 3.957 5.905 409 3HG2 VAL 54 3HG2 VAL 54 -1.675 4.611 7.239 410 H THR 55 H THR 55 -2.209 1.781 10.718 411 HA THR 55 HA THR 55 -0.964 -0.864 10.636 412 HB THR 55 HB THR 55 -2.478 0.350 12.942 413 HG1 THR 55 1HG THR 55 -0.395 0.922 13.714 414 1HG2 THR 55 1HG2 THR 55 -0.924 -1.153 14.238 415 2HG2 THR 55 2HG2 THR 55 -0.539 -1.927 12.700 416 3HG2 THR 55 3HG2 THR 55 -2.195 -1.959 13.314 417 H GLU 56 H GLU 56 -2.081 -2.442 9.759 418 HA GLU 56 HA GLU 56 -4.751 -2.422 9.060 419 1HB GLU 56 2HB GLU 56 -3.164 -4.010 8.127 420 2HB GLU 56 1HB GLU 56 -2.973 -4.783 9.694 421 1HG GLU 56 2HG GLU 56 -4.393 -6.096 8.230 422 2HG GLU 56 1HG GLU 56 -5.292 -5.515 9.632 423 1H MET 1 1HT MET 1 6.561 19.636 -2.004 424 2H MET 1 2HT MET 1 5.386 18.426 -2.110 425 3H MET 1 3HT MET 1 6.772 18.343 -3.074 426 HA MET 1 HA MET 1 8.166 18.008 -1.173 427 1HB MET 1 2HB MET 1 6.894 19.413 0.368 428 2HB MET 1 1HB MET 1 5.564 18.264 0.351 429 1HG MET 1 2HG MET 1 6.877 18.060 2.383 430 2HG MET 1 1HG MET 1 6.974 16.590 1.413 431 1HE MET 1 1HE MET 1 9.251 17.396 3.831 432 2HE MET 1 2HE MET 1 10.478 16.501 2.935 433 3HE MET 1 3HE MET 1 8.817 15.912 2.985 434 H GLN 2 H GLN 2 8.631 15.917 -0.496 435 HA GLN 2 HA GLN 2 6.756 13.869 -1.458 436 1HB GLN 2 2HB GLN 2 8.963 13.848 -2.536 437 2HB GLN 2 1HB GLN 2 9.737 13.690 -0.965 438 1HG GLN 2 2HG GLN 2 8.667 11.520 -0.649 439 2HG GLN 2 1HG GLN 2 7.884 11.678 -2.220 440 1HE2 GLN 2 1HE2 GLN 2 8.829 10.541 -3.738 441 2HE2 GLN 2 2HE2 GLN 2 10.519 10.206 -3.867 442 H TYR 3 H TYR 3 6.064 12.246 -0.131 443 HA TYR 3 HA TYR 3 6.991 12.343 2.664 444 1HB TYR 3 2HB TYR 3 4.171 11.916 1.657 445 2HB TYR 3 1HB TYR 3 4.671 11.724 3.334 446 HD1 TYR 3 1HD TYR 3 4.508 13.536 4.773 447 HD2 TYR 3 2HD TYR 3 4.695 14.245 0.580 448 HE1 TYR 3 1HE TYR 3 4.120 15.932 5.164 449 HE2 TYR 3 2HE TYR 3 4.311 16.645 0.963 450 HH TYR 3 HH TYR 3 4.817 18.222 3.398 451 H LYS 4 H LYS 4 7.194 10.405 3.753 452 HA LYS 4 HA LYS 4 7.252 8.032 2.025 453 1HB LYS 4 2HB LYS 4 9.350 8.757 3.189 454 2HB LYS 4 1HB LYS 4 8.553 8.446 4.724 455 1HG LYS 4 2HG LYS 4 10.005 6.608 4.118 456 2HG LYS 4 1HG LYS 4 8.318 6.088 4.124 457 1HD LYS 4 2HD LYS 4 8.211 6.178 1.736 458 2HD LYS 4 1HD LYS 4 9.803 6.937 1.641 459 1HE LYS 4 2HE LYS 4 10.827 4.916 2.542 460 2HE LYS 4 1HE LYS 4 9.241 4.162 2.674 461 1HZ LYS 4 1HZ LYS 4 10.215 3.369 0.695 462 2HZ LYS 4 2HZ LYS 4 10.682 4.917 0.200 463 3HZ LYS 4 3HZ LYS 4 9.045 4.492 0.214 464 H VAL 5 H VAL 5 5.304 7.041 2.137 465 HA VAL 5 HA VAL 5 3.951 6.874 4.715 466 HB VAL 5 HB VAL 5 2.992 5.994 1.988 467 1HG1 VAL 5 1HG1 VAL 5 0.951 6.545 3.963 468 2HG1 VAL 5 2HG1 VAL 5 2.038 5.264 4.500 469 3HG1 VAL 5 3HG1 VAL 5 1.191 5.114 2.960 470 1HG2 VAL 5 1HG2 VAL 5 1.890 8.014 1.760 471 2HG2 VAL 5 2HG2 VAL 5 3.416 8.502 2.496 472 3HG2 VAL 5 3HG2 VAL 5 1.963 8.368 3.487 473 H ILE 6 H ILE 6 4.057 5.183 5.954 474 HA ILE 6 HA ILE 6 5.151 2.668 4.915 475 HB ILE 6 HB ILE 6 4.926 3.733 7.731 476 1HG1 ILE 6 2HG1 ILE 6 7.325 3.078 6.011 477 2HG1 ILE 6 1HG1 ILE 6 6.727 4.696 6.351 478 1HG2 ILE 6 1HG2 ILE 6 6.248 1.681 8.337 479 2HG2 ILE 6 2HG2 ILE 6 5.824 1.037 6.752 480 3HG2 ILE 6 3HG2 ILE 6 4.556 1.408 7.920 481 1HD1 ILE 6 1HD1 ILE 6 7.068 3.949 8.841 482 2HD1 ILE 6 2HD1 ILE 6 8.421 4.532 7.870 483 3HD1 ILE 6 3HD1 ILE 6 8.189 2.801 8.108 484 H LEU 7 H LEU 7 3.909 0.902 4.751 485 HA LEU 7 HA LEU 7 1.202 1.009 5.906 486 1HB LEU 7 2HB LEU 7 2.057 -0.844 3.699 487 2HB LEU 7 1HB LEU 7 0.439 -0.299 4.106 488 HG LEU 7 HG LEU 7 2.605 1.347 2.811 489 1HD1 LEU 7 1HD1 LEU 7 1.543 -0.258 1.318 490 2HD1 LEU 7 2HD1 LEU 7 1.076 1.392 0.910 491 3HD1 LEU 7 3HD1 LEU 7 -0.046 0.349 1.782 492 1HD2 LEU 7 1HD2 LEU 7 -0.194 2.132 3.614 493 2HD2 LEU 7 2HD2 LEU 7 0.941 3.127 2.700 494 3HD2 LEU 7 3HD2 LEU 7 1.296 2.694 4.370 495 H ASN 8 H ASN 8 1.941 0.231 7.960 496 HA ASN 8 HA ASN 8 3.138 -2.414 8.059 497 1HB ASN 8 2HB ASN 8 2.376 -0.511 10.276 498 2HB ASN 8 1HB ASN 8 3.204 -2.047 10.508 499 1HD2 ASN 8 1HD2 ASN 8 3.714 1.093 10.528 500 2HD2 ASN 8 2HD2 ASN 8 5.341 1.170 9.954 501 H GLY 9 H GLY 9 1.846 -4.132 7.861 502 1HA GLY 9 2HA GLY 9 -0.769 -4.042 9.236 503 2HA GLY 9 1HA GLY 9 -0.482 -4.937 7.753 504 H LYS 10 H LYS 10 -1.472 -6.649 9.173 505 HA LYS 10 HA LYS 10 0.244 -7.765 11.213 506 1HB LYS 10 2HB LYS 10 -2.288 -8.844 9.964 507 2HB LYS 10 1HB LYS 10 -1.483 -9.524 11.371 508 1HG LYS 10 2HG LYS 10 -1.865 -7.397 12.569 509 2HG LYS 10 1HG LYS 10 -2.763 -6.805 11.172 510 1HD LYS 10 2HD LYS 10 -3.476 -9.271 12.758 511 2HD LYS 10 1HD LYS 10 -4.213 -7.686 12.983 512 1HE LYS 10 2HE LYS 10 -5.694 -8.917 11.614 513 2HE LYS 10 1HE LYS 10 -4.871 -7.779 10.549 514 1HZ LYS 10 1HZ LYS 10 -3.493 -10.276 10.728 515 2HZ LYS 10 2HZ LYS 10 -4.029 -9.440 9.360 516 3HZ LYS 10 3HZ LYS 10 -5.082 -10.476 10.182 517 H THR 11 H THR 11 -1.070 -8.974 8.129 518 HA THR 11 HA THR 11 1.117 -10.897 7.955 519 HB THR 11 HB THR 11 -0.354 -11.698 5.981 520 HG1 THR 11 1HG THR 11 -1.631 -9.667 6.168 521 1HG2 THR 11 1HG2 THR 11 -2.092 -12.686 7.611 522 2HG2 THR 11 2HG2 THR 11 -1.089 -11.949 8.860 523 3HG2 THR 11 3HG2 THR 11 -0.398 -13.152 7.771 524 H LEU 12 H LEU 12 0.533 -7.811 7.041 525 HA LEU 12 HA LEU 12 2.296 -8.069 4.730 526 1HB LEU 12 2HB LEU 12 0.023 -7.883 3.862 527 2HB LEU 12 1HB LEU 12 -0.230 -6.422 4.799 528 HG LEU 12 HG LEU 12 1.293 -5.191 3.449 529 1HD1 LEU 12 1HD1 LEU 12 3.110 -6.277 2.759 530 2HD1 LEU 12 2HD1 LEU 12 2.130 -6.827 1.399 531 3HD1 LEU 12 3HD1 LEU 12 2.303 -7.836 2.829 532 1HD2 LEU 12 1HD2 LEU 12 -1.044 -6.245 2.490 533 2HD2 LEU 12 2HD2 LEU 12 0.103 -6.625 1.208 534 3HD2 LEU 12 3HD2 LEU 12 -0.113 -4.955 1.733 535 H LYS 13 H LYS 13 3.811 -6.536 4.543 536 HA LYS 13 HA LYS 13 3.654 -4.101 6.142 537 1HB LYS 13 2HB LYS 13 5.945 -6.068 6.358 538 2HB LYS 13 1HB LYS 13 5.924 -4.458 7.064 539 1HG LYS 13 2HG LYS 13 4.050 -5.091 8.485 540 2HG LYS 13 1HG LYS 13 4.039 -6.701 7.763 541 1HD LYS 13 2HD LYS 13 6.330 -5.483 9.302 542 2HD LYS 13 1HD LYS 13 5.188 -6.672 9.933 543 1HE LYS 13 2HE LYS 13 7.081 -7.077 7.619 544 2HE LYS 13 1HE LYS 13 7.278 -7.730 9.245 545 1HZ LYS 13 1HZ LYS 13 5.151 -8.926 8.912 546 2HZ LYS 13 2HZ LYS 13 6.372 -9.418 7.848 547 3HZ LYS 13 3HZ LYS 13 5.137 -8.401 7.302 548 H GLY 14 H GLY 14 4.879 -2.396 5.281 549 1HA GLY 14 2HA GLY 14 6.896 -2.698 3.347 550 2HA GLY 14 1HA GLY 14 5.363 -2.508 2.516 551 H GLU 15 H GLU 15 6.567 -0.623 1.662 552 HA GLU 15 HA GLU 15 5.823 1.728 3.197 553 1HB GLU 15 2HB GLU 15 8.627 1.392 2.121 554 2HB GLU 15 1HB GLU 15 7.987 2.797 2.959 555 1HG GLU 15 2HG GLU 15 7.696 1.457 4.982 556 2HG GLU 15 1HG GLU 15 8.353 0.055 4.140 557 H THR 16 H THR 16 5.722 3.649 1.918 558 HA THR 16 HA THR 16 6.061 3.433 -0.944 559 HB THR 16 HB THR 16 3.898 2.604 -1.009 560 HG1 THR 16 1HG THR 16 3.414 5.370 -0.933 561 1HG2 THR 16 1HG2 THR 16 3.384 4.243 1.418 562 2HG2 THR 16 2HG2 THR 16 3.056 2.538 1.120 563 3HG2 THR 16 3HG2 THR 16 2.042 3.776 0.378 564 H THR 17 H THR 17 5.422 5.593 -2.025 565 HA THR 17 HA THR 17 5.720 7.850 -0.187 566 HB THR 17 HB THR 17 7.512 8.812 -1.628 567 HG1 THR 17 1HG THR 17 8.554 7.456 -3.071 568 1HG2 THR 17 1HG2 THR 17 8.072 6.207 -0.253 569 2HG2 THR 17 2HG2 THR 17 8.291 7.842 0.370 570 3HG2 THR 17 3HG2 THR 17 9.335 7.242 -0.920 571 H THR 18 H THR 18 4.239 9.285 -0.623 572 HA THR 18 HA THR 18 3.230 9.617 -3.388 573 HB THR 18 HB THR 18 1.548 9.032 -1.652 574 HG1 THR 18 1HG THR 18 1.011 10.392 -3.446 575 1HG2 THR 18 1HG2 THR 18 2.888 10.974 -0.092 576 2HG2 THR 18 2HG2 THR 18 1.516 9.957 0.350 577 3HG2 THR 18 3HG2 THR 18 1.243 11.540 -0.378 578 H GLU 19 H GLU 19 3.227 11.665 -4.322 579 HA GLU 19 HA GLU 19 4.879 13.672 -2.941 580 1HB GLU 19 2HB GLU 19 5.746 12.908 -5.101 581 2HB GLU 19 1HB GLU 19 4.238 13.364 -5.883 582 1HG GLU 19 2HG GLU 19 4.655 15.704 -5.324 583 2HG GLU 19 1HG GLU 19 6.168 15.246 -4.540 584 H ALA 20 H ALA 20 3.761 15.276 -1.986 585 HA ALA 20 HA ALA 20 1.600 16.540 -3.464 586 1HB ALA 20 1HB ALA 20 -0.105 16.113 -2.015 587 2HB ALA 20 2HB ALA 20 0.974 15.867 -0.640 588 3HB ALA 20 3HB ALA 20 0.807 14.611 -1.866 589 H VAL 21 H VAL 21 1.044 18.592 -2.748 590 HA VAL 21 HA VAL 21 3.074 20.289 -2.017 591 HB VAL 21 HB VAL 21 0.174 20.822 -1.389 592 1HG1 VAL 21 1HG1 VAL 21 1.266 22.646 -0.561 593 2HG1 VAL 21 2HG1 VAL 21 1.065 23.155 -2.237 594 3HG1 VAL 21 3HG1 VAL 21 2.608 22.499 -1.694 595 1HG2 VAL 21 1HG2 VAL 21 0.318 21.888 -3.766 596 2HG2 VAL 21 2HG2 VAL 21 0.001 20.161 -3.587 597 3HG2 VAL 21 3HG2 VAL 21 1.622 20.723 -3.996 598 H ASP 22 H ASP 22 0.764 18.692 0.112 599 HA ASP 22 HA ASP 22 2.503 19.332 2.371 600 1HB ASP 22 2HB ASP 22 0.693 20.114 3.788 601 2HB ASP 22 1HB ASP 22 0.790 21.114 2.342 602 H ALA 23 H ALA 23 1.758 18.133 4.402 603 HA ALA 23 HA ALA 23 1.759 15.406 3.890 604 1HB ALA 23 1HB ALA 23 1.967 17.025 6.142 605 2HB ALA 23 2HB ALA 23 2.158 15.274 6.073 606 3HB ALA 23 3HB ALA 23 0.589 15.974 6.465 607 H ALA 24 H ALA 24 -0.960 17.536 4.637 608 HA ALA 24 HA ALA 24 -2.908 15.502 4.834 609 1HB ALA 24 1HB ALA 24 -4.329 17.647 3.923 610 2HB ALA 24 2HB ALA 24 -2.901 18.430 4.600 611 3HB ALA 24 3HB ALA 24 -3.890 17.375 5.609 612 H THR 25 H THR 25 -2.083 17.655 2.099 613 HA THR 25 HA THR 25 -3.762 16.543 0.202 614 HB THR 25 HB THR 25 -2.126 17.397 -1.459 615 HG1 THR 25 1HG THR 25 -0.150 17.759 -0.948 616 1HG2 THR 25 1HG2 THR 25 -3.030 19.084 0.787 617 2HG2 THR 25 2HG2 THR 25 -3.395 19.193 -0.936 618 3HG2 THR 25 3HG2 THR 25 -1.844 19.765 -0.325 619 H ALA 26 H ALA 26 -0.469 15.640 1.138 620 HA ALA 26 HA ALA 26 -0.150 13.503 -0.664 621 1HB ALA 26 1HB ALA 26 1.870 13.909 0.275 622 2HB ALA 26 2HB ALA 26 1.340 12.701 1.447 623 3HB ALA 26 3HB ALA 26 1.169 14.418 1.812 624 H GLU 27 H GLU 27 -1.216 13.552 2.747 625 HA GLU 27 HA GLU 27 -1.777 10.879 3.074 626 1HB GLU 27 2HB GLU 27 -1.828 12.509 4.900 627 2HB GLU 27 1HB GLU 27 -3.264 13.252 4.208 628 1HG GLU 27 2HG GLU 27 -4.516 11.194 4.579 629 2HG GLU 27 1HG GLU 27 -3.077 10.438 5.262 630 H LYS 28 H LYS 28 -3.936 13.445 1.877 631 HA LYS 28 HA LYS 28 -6.212 11.872 1.493 632 1HB LYS 28 2HB LYS 28 -5.279 14.302 -0.044 633 2HB LYS 28 1HB LYS 28 -6.889 13.607 -0.162 634 1HG LYS 28 2HG LYS 28 -5.637 14.802 2.301 635 2HG LYS 28 1HG LYS 28 -6.907 15.520 1.307 636 1HD LYS 28 2HD LYS 28 -8.389 13.652 1.863 637 2HD LYS 28 1HD LYS 28 -7.119 12.945 2.865 638 1HE LYS 28 2HE LYS 28 -8.754 14.157 4.221 639 2HE LYS 28 1HE LYS 28 -7.159 14.900 4.319 640 1HZ LYS 28 1HZ LYS 28 -8.000 16.797 3.586 641 2HZ LYS 28 2HZ LYS 28 -9.547 16.116 3.615 642 3HZ LYS 28 3HZ LYS 28 -8.623 16.055 2.199 643 H VAL 29 H VAL 29 -3.425 12.449 -0.572 644 HA VAL 29 HA VAL 29 -4.376 11.229 -2.906 645 HB VAL 29 HB VAL 29 -1.536 11.357 -1.874 646 1HG1 VAL 29 1HG1 VAL 29 -0.958 11.153 -4.308 647 2HG1 VAL 29 2HG1 VAL 29 -2.639 10.698 -4.593 648 3HG1 VAL 29 3HG1 VAL 29 -1.615 9.694 -3.566 649 1HG2 VAL 29 1HG2 VAL 29 -1.422 13.482 -2.559 650 2HG2 VAL 29 2HG2 VAL 29 -3.185 13.446 -2.563 651 3HG2 VAL 29 3HG2 VAL 29 -2.294 13.138 -4.053 652 H VAL 30 H VAL 30 -2.879 9.906 -0.019 653 HA VAL 30 HA VAL 30 -2.519 7.272 -1.004 654 HB VAL 30 HB VAL 30 -3.000 8.056 1.870 655 1HG1 VAL 30 1HG1 VAL 30 -2.018 6.048 2.469 656 2HG1 VAL 30 2HG1 VAL 30 -1.191 5.874 0.922 657 3HG1 VAL 30 3HG1 VAL 30 -2.929 5.597 1.027 658 1HG2 VAL 30 1HG2 VAL 30 -0.455 8.134 1.954 659 2HG2 VAL 30 2HG2 VAL 30 -1.273 9.498 1.191 660 3HG2 VAL 30 3HG2 VAL 30 -0.516 8.255 0.195 661 H LYS 31 H LYS 31 -5.097 8.804 0.957 662 HA LYS 31 HA LYS 31 -6.772 6.663 1.330 663 1HB LYS 31 2HB LYS 31 -7.347 9.573 0.879 664 2HB LYS 31 1HB LYS 31 -8.666 8.425 1.061 665 1HG LYS 31 2HG LYS 31 -8.189 9.480 3.171 666 2HG LYS 31 1HG LYS 31 -7.775 7.769 3.251 667 1HD LYS 31 2HD LYS 31 -5.410 8.371 2.829 668 2HD LYS 31 1HD LYS 31 -5.869 10.074 2.876 669 1HE LYS 31 2HE LYS 31 -6.231 8.103 5.130 670 2HE LYS 31 1HE LYS 31 -4.935 9.293 5.015 671 1HZ LYS 31 1HZ LYS 31 -7.447 9.645 6.119 672 2HZ LYS 31 2HZ LYS 31 -7.448 10.553 4.691 673 3HZ LYS 31 3HZ LYS 31 -6.262 10.828 5.866 674 H GLN 32 H GLN 32 -6.468 8.720 -1.513 675 HA GLN 32 HA GLN 32 -8.526 7.411 -3.005 676 1HB GLN 32 2HB GLN 32 -7.739 9.698 -3.547 677 2HB GLN 32 1HB GLN 32 -6.171 9.042 -3.994 678 1HG GLN 32 2HG GLN 32 -7.427 9.476 -5.978 679 2HG GLN 32 1HG GLN 32 -7.256 7.736 -5.778 680 1HE2 GLN 32 1HE2 GLN 32 -9.505 8.957 -3.579 681 2HE2 GLN 32 2HE2 GLN 32 -10.936 8.594 -4.468 682 H PHE 33 H PHE 33 -5.069 7.060 -2.628 683 HA PHE 33 HA PHE 33 -4.473 5.247 -4.643 684 1HB PHE 33 2HB PHE 33 -2.853 6.424 -3.096 685 2HB PHE 33 1HB PHE 33 -3.281 5.252 -1.858 686 HD1 PHE 33 1HD PHE 33 -2.044 5.418 -5.360 687 HD2 PHE 33 2HD PHE 33 -1.985 3.338 -1.632 688 HE1 PHE 33 1HE PHE 33 -0.316 3.896 -6.229 689 HE2 PHE 33 2HE PHE 33 -0.253 1.824 -2.509 690 HZ PHE 33 HZ PHE 33 0.580 2.105 -4.811 691 H PHE 34 H PHE 34 -5.269 4.543 -1.256 692 HA PHE 34 HA PHE 34 -5.550 1.734 -1.703 693 1HB PHE 34 2HB PHE 34 -6.345 3.444 0.652 694 2HB PHE 34 1HB PHE 34 -6.384 1.679 0.632 695 HD1 PHE 34 1HD PHE 34 -3.950 1.037 -0.831 696 HD2 PHE 34 2HD PHE 34 -4.647 3.988 2.154 697 HE1 PHE 34 1HE PHE 34 -1.569 0.985 -0.233 698 HE2 PHE 34 2HE PHE 34 -2.262 3.936 2.762 699 HZ PHE 34 HZ PHE 34 -0.729 2.434 1.556 700 H ASN 35 H ASN 35 -7.836 4.397 -1.327 701 HA ASN 35 HA ASN 35 -10.230 3.040 -1.220 702 1HB ASN 35 2HB ASN 35 -10.136 5.458 -1.076 703 2HB ASN 35 1HB ASN 35 -9.549 5.574 -2.731 704 1HD2 ASN 35 1HD2 ASN 35 -12.135 6.067 -0.908 705 2HD2 ASN 35 2HD2 ASN 35 -13.399 5.789 -2.050 706 H ASP 36 H ASP 36 -8.174 3.700 -3.954 707 HA ASP 36 HA ASP 36 -9.984 2.321 -5.786 708 1HB ASP 36 2HB ASP 36 -7.421 3.833 -6.322 709 2HB ASP 36 1HB ASP 36 -8.441 3.107 -7.561 710 H ASN 37 H ASN 37 -7.013 1.697 -4.064 711 HA ASN 37 HA ASN 37 -6.219 -0.449 -5.831 712 1HB ASN 37 2HB ASN 37 -5.270 0.325 -3.061 713 2HB ASN 37 1HB ASN 37 -4.626 -1.043 -3.959 714 1HD2 ASN 37 1HD2 ASN 37 -3.489 1.582 -2.990 715 2HD2 ASN 37 2HD2 ASN 37 -2.724 2.244 -4.393 716 H GLY 38 H GLY 38 -7.678 -0.105 -2.656 717 1HA GLY 38 2HA GLY 38 -8.180 -2.111 -1.310 718 2HA GLY 38 1HA GLY 38 -9.604 -1.457 -2.085 719 H VAL 39 H VAL 39 -10.864 -2.945 -2.842 720 HA VAL 39 HA VAL 39 -9.708 -5.511 -3.710 721 HB VAL 39 HB VAL 39 -12.503 -4.903 -2.800 722 1HG1 VAL 39 1HG1 VAL 39 -11.185 -7.315 -3.859 723 2HG1 VAL 39 2HG1 VAL 39 -12.888 -6.854 -3.871 724 3HG1 VAL 39 3HG1 VAL 39 -12.176 -7.561 -2.420 725 1HG2 VAL 39 1HG2 VAL 39 -11.462 -6.484 -0.868 726 2HG2 VAL 39 2HG2 VAL 39 -11.501 -4.722 -0.794 727 3HG2 VAL 39 3HG2 VAL 39 -10.040 -5.551 -1.332 728 H ASP 40 H ASP 40 -10.814 -2.807 -5.245 729 HA ASP 40 HA ASP 40 -11.993 -4.435 -7.391 730 1HB ASP 40 2HB ASP 40 -12.781 -1.632 -6.584 731 2HB ASP 40 1HB ASP 40 -13.413 -2.503 -7.978 732 H GLY 41 H GLY 41 -9.221 -3.099 -6.736 733 1HA GLY 41 2HA GLY 41 -8.907 -1.325 -9.006 734 2HA GLY 41 1HA GLY 41 -7.656 -1.797 -7.869 735 H GLU 42 H GLU 42 -6.737 -1.717 -10.269 736 HA GLU 42 HA GLU 42 -7.028 -4.337 -11.550 737 1HB GLU 42 2HB GLU 42 -5.572 -1.851 -12.477 738 2HB GLU 42 1HB GLU 42 -5.735 -3.338 -13.401 739 1HG GLU 42 2HG GLU 42 -8.157 -3.043 -13.455 740 2HG GLU 42 1HG GLU 42 -7.996 -1.556 -12.525 741 H TRP 43 H TRP 43 -5.820 -5.782 -10.435 742 HA TRP 43 HA TRP 43 -3.122 -5.052 -9.596 743 1HB TRP 43 2HB TRP 43 -4.778 -7.513 -9.033 744 2HB TRP 43 1HB TRP 43 -3.185 -7.186 -8.360 745 HD1 TRP 43 HD TRP 43 -6.115 -4.649 -8.556 746 HE1 TRP 43 1HE TRP 43 -6.680 -3.929 -6.145 747 HE3 TRP 43 3HE TRP 43 -2.947 -7.745 -6.019 748 HZ2 TRP 43 2HZ TRP 43 -5.887 -4.589 -3.527 749 HZ3 TRP 43 3HZ TRP 43 -2.911 -7.643 -3.568 750 HH2 TRP 43 HH TRP 43 -4.359 -6.096 -2.345 751 H THR 44 H THR 44 -1.443 -5.493 -10.849 752 HA THR 44 HA THR 44 -1.623 -7.713 -12.767 753 HB THR 44 HB THR 44 0.327 -6.618 -13.872 754 HG1 THR 44 1HG THR 44 -0.164 -4.521 -12.030 755 1HG2 THR 44 1HG2 THR 44 -0.850 -5.009 -15.011 756 2HG2 THR 44 2HG2 THR 44 -1.737 -4.489 -13.578 757 3HG2 THR 44 3HG2 THR 44 -2.143 -6.017 -14.361 758 H TYR 45 H TYR 45 -0.323 -9.466 -12.531 759 HA TYR 45 HA TYR 45 1.575 -9.417 -10.286 760 1HB TYR 45 2HB TYR 45 -0.308 -11.016 -10.115 761 2HB TYR 45 1HB TYR 45 0.236 -11.793 -11.595 762 HD1 TYR 45 1HD TYR 45 2.439 -10.569 -8.878 763 HD2 TYR 45 2HD TYR 45 0.673 -13.956 -10.749 764 HE1 TYR 45 1HE TYR 45 3.891 -12.048 -7.555 765 HE2 TYR 45 2HE TYR 45 2.119 -15.445 -9.430 766 HH TYR 45 HH TYR 45 4.449 -15.191 -8.263 767 H ASP 46 H ASP 46 3.658 -10.184 -10.514 768 HA ASP 46 HA ASP 46 4.529 -10.776 -13.266 769 1HB ASP 46 2HB ASP 46 5.241 -8.522 -12.587 770 2HB ASP 46 1HB ASP 46 6.030 -9.196 -11.164 771 H ASP 47 H ASP 47 4.338 -13.016 -12.784 772 HA ASP 47 HA ASP 47 5.368 -14.440 -10.688 773 1HB ASP 47 2HB ASP 47 5.469 -15.269 -13.596 774 2HB ASP 47 1HB ASP 47 5.541 -16.351 -12.208 775 H ALA 48 H ALA 48 7.124 -13.175 -13.469 776 HA ALA 48 HA ALA 48 9.518 -14.484 -13.285 777 1HB ALA 48 1HB ALA 48 10.308 -11.918 -13.890 778 2HB ALA 48 2HB ALA 48 8.610 -11.945 -14.370 779 3HB ALA 48 3HB ALA 48 9.735 -13.128 -15.039 780 H THR 49 H THR 49 8.342 -11.935 -11.175 781 HA THR 49 HA THR 49 10.776 -12.288 -9.555 782 HB THR 49 HB THR 49 10.629 -9.906 -8.913 783 HG1 THR 49 1HG THR 49 8.335 -9.756 -9.488 784 1HG2 THR 49 1HG2 THR 49 11.571 -10.889 -11.341 785 2HG2 THR 49 2HG2 THR 49 12.001 -9.369 -10.555 786 3HG2 THR 49 3HG2 THR 49 10.692 -9.412 -11.736 787 H LYS 50 H LYS 50 7.799 -13.237 -9.509 788 HA LYS 50 HA LYS 50 6.153 -13.591 -7.940 789 1HB LYS 50 2HB LYS 50 8.549 -13.385 -6.103 790 2HB LYS 50 1HB LYS 50 6.990 -14.062 -5.657 791 1HG LYS 50 2HG LYS 50 8.780 -15.142 -7.822 792 2HG LYS 50 1HG LYS 50 8.675 -15.776 -6.179 793 1HD LYS 50 2HD LYS 50 6.401 -15.636 -8.157 794 2HD LYS 50 1HD LYS 50 7.323 -17.085 -7.752 795 1HE LYS 50 2HE LYS 50 6.580 -16.882 -5.419 796 2HE LYS 50 1HE LYS 50 5.627 -15.466 -5.856 797 1HZ LYS 50 1HZ LYS 50 5.202 -18.000 -7.288 798 2HZ LYS 50 2HZ LYS 50 4.122 -16.726 -7.022 799 3HZ LYS 50 3HZ LYS 50 4.512 -17.781 -5.758 800 H THR 51 H THR 51 6.594 -10.864 -8.730 801 HA THR 51 HA THR 51 5.931 -9.435 -6.249 802 HB THR 51 HB THR 51 7.079 -8.370 -8.834 803 HG1 THR 51 1HG THR 51 8.492 -9.588 -7.401 804 1HG2 THR 51 1HG2 THR 51 5.587 -6.872 -7.192 805 2HG2 THR 51 2HG2 THR 51 6.978 -6.257 -8.084 806 3HG2 THR 51 3HG2 THR 51 7.153 -6.729 -6.394 807 H PHE 52 H PHE 52 4.139 -8.169 -6.119 808 HA PHE 52 HA PHE 52 2.197 -8.435 -8.313 809 1HB PHE 52 2HB PHE 52 1.778 -7.889 -5.364 810 2HB PHE 52 1HB PHE 52 0.491 -7.907 -6.565 811 HD1 PHE 52 1HD PHE 52 -0.008 -10.044 -7.776 812 HD2 PHE 52 2HD PHE 52 2.572 -9.876 -4.394 813 HE1 PHE 52 1HE PHE 52 -0.281 -12.468 -7.451 814 HE2 PHE 52 2HE PHE 52 2.302 -12.300 -4.064 815 HZ PHE 52 HZ PHE 52 0.876 -13.597 -5.594 816 H THR 53 H THR 53 1.830 -6.694 -9.484 817 HA THR 53 HA THR 53 2.478 -4.063 -8.351 818 HB THR 53 HB THR 53 2.350 -3.376 -10.860 819 HG1 THR 53 1HG THR 53 2.382 -4.928 -12.270 820 1HG2 THR 53 1HG2 THR 53 4.730 -4.240 -11.210 821 2HG2 THR 53 2HG2 THR 53 4.594 -4.860 -9.564 822 3HG2 THR 53 3HG2 THR 53 4.426 -3.129 -9.873 823 H VAL 54 H VAL 54 0.978 -2.654 -7.966 824 HA VAL 54 HA VAL 54 -1.714 -3.088 -9.085 825 HB VAL 54 HB VAL 54 -0.996 -1.735 -6.469 826 1HG1 VAL 54 1HG1 VAL 54 -3.527 -2.008 -6.137 827 2HG1 VAL 54 2HG1 VAL 54 -3.597 -2.218 -7.887 828 3HG1 VAL 54 3HG1 VAL 54 -2.968 -0.719 -7.203 829 1HG2 VAL 54 1HG2 VAL 54 -2.498 -3.847 -5.759 830 2HG2 VAL 54 2HG2 VAL 54 -0.736 -3.886 -5.826 831 3HG2 VAL 54 3HG2 VAL 54 -1.684 -4.519 -7.172 832 H THR 55 H THR 55 -2.101 -1.677 -10.659 833 HA THR 55 HA THR 55 -0.792 0.938 -10.560 834 HB THR 55 HB THR 55 -2.303 -0.240 -12.887 835 HG1 THR 55 1HG THR 55 -0.223 -0.862 -13.628 836 1HG2 THR 55 1HG2 THR 55 -0.697 1.225 -14.161 837 2HG2 THR 55 2HG2 THR 55 -0.312 1.991 -12.617 838 3HG2 THR 55 3HG2 THR 55 -1.958 2.061 -13.253 839 H GLU 56 H GLU 56 -1.883 2.543 -9.698 840 HA GLU 56 HA GLU 56 -4.564 2.588 -9.037 841 1HB GLU 56 2HB GLU 56 -2.950 4.137 -8.080 842 2HB GLU 56 1HB GLU 56 -2.719 4.906 -9.646 843 1HG GLU 56 2HG GLU 56 -4.128 6.253 -8.201 844 2HG GLU 56 1HG GLU 56 -5.020 5.693 -9.616 Start of MODEL 17 1 1H MET 1 1HT MET 1 5.794 -18.567 3.088 2 2H MET 1 2HT MET 1 6.465 -19.950 2.385 3 3H MET 1 3HT MET 1 5.132 -19.199 1.665 4 HA MET 1 HA MET 1 7.941 -18.333 1.734 5 1HB MET 1 2HB MET 1 7.126 -19.650 -0.162 6 2HB MET 1 1HB MET 1 5.815 -18.507 -0.415 7 1HG MET 1 2HG MET 1 7.435 -16.762 -0.951 8 2HG MET 1 1HG MET 1 8.751 -17.908 -0.697 9 1HE MET 1 1HE MET 1 8.249 -16.209 -3.597 10 2HE MET 1 2HE MET 1 8.953 -17.537 -4.520 11 3HE MET 1 3HE MET 1 9.623 -17.105 -2.947 12 H GLN 2 H GLN 2 8.387 -16.178 0.877 13 HA GLN 2 HA GLN 2 6.406 -14.223 1.826 14 1HB GLN 2 2HB GLN 2 8.573 -14.143 2.972 15 2HB GLN 2 1HB GLN 2 9.392 -13.932 1.431 16 1HG GLN 2 2HG GLN 2 8.250 -11.797 1.116 17 2HG GLN 2 1HG GLN 2 7.437 -12.007 2.663 18 1HE2 GLN 2 1HE2 GLN 2 10.441 -13.290 3.066 19 2HE2 GLN 2 2HE2 GLN 2 11.264 -11.903 3.681 20 H TYR 3 H TYR 3 5.797 -12.494 0.525 21 HA TYR 3 HA TYR 3 6.825 -12.506 -2.230 22 1HB TYR 3 2HB TYR 3 3.912 -12.325 -1.432 23 2HB TYR 3 1HB TYR 3 4.533 -12.148 -3.070 24 HD1 TYR 3 1HD TYR 3 4.454 -14.001 -4.442 25 HD2 TYR 3 2HD TYR 3 4.681 -14.584 -0.234 26 HE1 TYR 3 1HE TYR 3 4.273 -16.431 -4.776 27 HE2 TYR 3 2HE TYR 3 4.501 -17.015 -0.556 28 HH TYR 3 HH TYR 3 3.619 -18.415 -3.544 29 H LYS 4 H LYS 4 6.797 -10.513 -3.301 30 HA LYS 4 HA LYS 4 6.466 -8.208 -1.500 31 1HB LYS 4 2HB LYS 4 8.747 -8.561 -2.400 32 2HB LYS 4 1HB LYS 4 8.110 -8.414 -4.032 33 1HG LYS 4 2HG LYS 4 7.479 -6.117 -3.616 34 2HG LYS 4 1HG LYS 4 8.000 -6.255 -1.936 35 1HD LYS 4 2HD LYS 4 9.699 -5.123 -3.251 36 2HD LYS 4 1HD LYS 4 10.297 -6.689 -2.699 37 1HE LYS 4 2HE LYS 4 10.936 -6.365 -4.997 38 2HE LYS 4 1HE LYS 4 9.722 -7.641 -4.910 39 1HZ LYS 4 1HZ LYS 4 8.059 -5.835 -5.445 40 2HZ LYS 4 2HZ LYS 4 9.102 -6.283 -6.699 41 3HZ LYS 4 3HZ LYS 4 9.378 -4.852 -5.841 42 H VAL 5 H VAL 5 5.541 -6.254 -2.390 43 HA VAL 5 HA VAL 5 3.956 -6.663 -4.820 44 HB VAL 5 HB VAL 5 2.817 -5.570 -2.243 45 1HG1 VAL 5 1HG1 VAL 5 1.926 -4.545 -4.326 46 2HG1 VAL 5 2HG1 VAL 5 0.717 -5.432 -3.397 47 3HG1 VAL 5 3HG1 VAL 5 1.416 -6.151 -4.849 48 1HG2 VAL 5 1HG2 VAL 5 2.345 -8.194 -3.652 49 2HG2 VAL 5 2HG2 VAL 5 1.392 -7.593 -2.294 50 3HG2 VAL 5 3HG2 VAL 5 3.104 -7.958 -2.078 51 H ILE 6 H ILE 6 4.039 -5.015 -6.160 52 HA ILE 6 HA ILE 6 5.278 -2.524 -5.275 53 HB ILE 6 HB ILE 6 4.707 -3.623 -8.030 54 1HG1 ILE 6 2HG1 ILE 6 7.299 -3.030 -6.586 55 2HG1 ILE 6 1HG1 ILE 6 6.608 -4.628 -6.832 56 1HG2 ILE 6 1HG2 ILE 6 6.343 -1.493 -8.452 57 2HG2 ILE 6 2HG2 ILE 6 5.297 -0.886 -7.169 58 3HG2 ILE 6 3HG2 ILE 6 4.594 -1.481 -8.672 59 1HD1 ILE 6 1HD1 ILE 6 8.404 -3.299 -8.479 60 2HD1 ILE 6 2HD1 ILE 6 6.863 -3.230 -9.333 61 3HD1 ILE 6 3HD1 ILE 6 7.528 -4.787 -8.837 62 H LEU 7 H LEU 7 3.958 -0.970 -4.614 63 HA LEU 7 HA LEU 7 1.220 -0.858 -5.630 64 1HB LEU 7 2HB LEU 7 2.367 0.976 -3.543 65 2HB LEU 7 1HB LEU 7 0.702 0.467 -3.760 66 HG LEU 7 HG LEU 7 2.961 -1.199 -2.669 67 1HD1 LEU 7 1HD1 LEU 7 0.412 -0.589 -1.252 68 2HD1 LEU 7 2HD1 LEU 7 1.686 0.628 -1.302 69 3HD1 LEU 7 3HD1 LEU 7 2.006 -0.956 -0.597 70 1HD2 LEU 7 1HD2 LEU 7 0.099 -1.954 -3.249 71 2HD2 LEU 7 2HD2 LEU 7 1.250 -2.937 -2.339 72 3HD2 LEU 7 3HD2 LEU 7 1.539 -2.591 -4.043 73 H ASN 8 H ASN 8 1.737 -0.128 -7.733 74 HA ASN 8 HA ASN 8 3.092 2.428 -8.011 75 1HB ASN 8 2HB ASN 8 3.613 0.430 -9.447 76 2HB ASN 8 1HB ASN 8 2.016 0.609 -10.165 77 1HD2 ASN 8 1HD2 ASN 8 5.063 1.073 -10.827 78 2HD2 ASN 8 2HD2 ASN 8 5.000 2.513 -11.782 79 H GLY 9 H GLY 9 1.812 4.173 -7.673 80 1HA GLY 9 2HA GLY 9 -0.834 4.154 -8.980 81 2HA GLY 9 1HA GLY 9 -0.473 5.056 -7.517 82 H LYS 10 H LYS 10 -1.488 6.734 -8.945 83 HA LYS 10 HA LYS 10 0.067 7.806 -11.090 84 1HB LYS 10 2HB LYS 10 -2.203 9.073 -9.542 85 2HB LYS 10 1HB LYS 10 -1.586 9.594 -11.104 86 1HG LYS 10 2HG LYS 10 -2.408 7.652 -12.180 87 2HG LYS 10 1HG LYS 10 -2.765 6.870 -10.641 88 1HD LYS 10 2HD LYS 10 -4.818 7.660 -11.627 89 2HD LYS 10 1HD LYS 10 -4.460 8.616 -10.190 90 1HE LYS 10 2HE LYS 10 -3.777 9.479 -12.994 91 2HE LYS 10 1HE LYS 10 -5.269 9.923 -12.170 92 1HZ LYS 10 1HZ LYS 10 -4.118 11.665 -11.440 93 2HZ LYS 10 2HZ LYS 10 -2.625 10.997 -11.865 94 3HZ LYS 10 3HZ LYS 10 -3.340 10.597 -10.384 95 H THR 11 H THR 11 -0.783 9.012 -7.842 96 HA THR 11 HA THR 11 1.551 10.778 -7.916 97 HB THR 11 HB THR 11 0.275 11.767 -5.879 98 HG1 THR 11 1HG THR 11 -1.220 9.896 -5.954 99 1HG2 THR 11 1HG2 THR 11 0.282 12.479 -8.503 100 2HG2 THR 11 2HG2 THR 11 -0.483 13.393 -7.203 101 3HG2 THR 11 3HG2 THR 11 -1.440 12.279 -8.179 102 H LEU 12 H LEU 12 0.928 7.774 -6.943 103 HA LEU 12 HA LEU 12 2.705 8.030 -4.637 104 1HB LEU 12 2HB LEU 12 0.450 7.886 -3.741 105 2HB LEU 12 1HB LEU 12 0.147 6.436 -4.678 106 HG LEU 12 HG LEU 12 1.702 5.178 -3.356 107 1HD1 LEU 12 1HD1 LEU 12 2.460 6.850 -1.272 108 2HD1 LEU 12 2HD1 LEU 12 2.713 7.802 -2.733 109 3HD1 LEU 12 3HD1 LEU 12 3.486 6.232 -2.567 110 1HD2 LEU 12 1HD2 LEU 12 0.222 4.880 -1.720 111 2HD2 LEU 12 2HD2 LEU 12 -0.653 6.262 -2.381 112 3HD2 LEU 12 3HD2 LEU 12 0.506 6.495 -1.072 113 H LYS 13 H LYS 13 4.187 6.465 -4.411 114 HA LYS 13 HA LYS 13 3.991 4.020 -5.990 115 1HB LYS 13 2HB LYS 13 6.316 5.936 -6.211 116 2HB LYS 13 1HB LYS 13 6.268 4.325 -6.911 117 1HG LYS 13 2HG LYS 13 4.342 5.021 -8.290 118 2HG LYS 13 1HG LYS 13 4.496 6.651 -7.633 119 1HD LYS 13 2HD LYS 13 6.675 5.205 -9.137 120 2HD LYS 13 1HD LYS 13 5.551 6.350 -9.871 121 1HE LYS 13 2HE LYS 13 7.537 7.554 -9.408 122 2HE LYS 13 1HE LYS 13 6.358 8.045 -8.193 123 1HZ LYS 13 1HZ LYS 13 7.644 7.278 -6.567 124 2HZ LYS 13 2HZ LYS 13 8.886 7.163 -7.708 125 3HZ LYS 13 3HZ LYS 13 7.938 5.808 -7.354 126 H GLY 14 H GLY 14 5.215 2.301 -5.150 127 1HA GLY 14 2HA GLY 14 7.242 2.537 -3.233 128 2HA GLY 14 1HA GLY 14 5.716 2.400 -2.377 129 H GLU 15 H GLU 15 6.838 0.466 -1.534 130 HA GLU 15 HA GLU 15 6.032 -1.856 -3.091 131 1HB GLU 15 2HB GLU 15 8.832 -1.532 -1.993 132 2HB GLU 15 1HB GLU 15 8.183 -3.006 -2.697 133 1HG GLU 15 2HG GLU 15 7.903 -1.863 -4.838 134 2HG GLU 15 1HG GLU 15 8.556 -0.386 -4.131 135 H THR 16 H THR 16 5.871 -3.799 -1.812 136 HA THR 16 HA THR 16 6.096 -3.549 1.065 137 HB THR 16 HB THR 16 3.946 -2.685 1.009 138 HG1 THR 16 1HG THR 16 3.422 -5.445 0.974 139 1HG2 THR 16 1HG2 THR 16 3.703 -4.092 -1.514 140 2HG2 THR 16 2HG2 THR 16 2.905 -2.627 -0.953 141 3HG2 THR 16 3HG2 THR 16 2.257 -4.207 -0.515 142 H THR 17 H THR 17 5.379 -5.685 2.150 143 HA THR 17 HA THR 17 5.702 -7.977 0.356 144 HB THR 17 HB THR 17 7.420 -8.956 1.878 145 HG1 THR 17 1HG THR 17 8.424 -7.621 3.349 146 1HG2 THR 17 1HG2 THR 17 7.816 -7.107 -0.144 147 2HG2 THR 17 2HG2 THR 17 9.014 -8.198 0.549 148 3HG2 THR 17 3HG2 THR 17 8.849 -6.556 1.173 149 H THR 18 H THR 18 4.166 -9.374 0.762 150 HA THR 18 HA THR 18 3.092 -9.665 3.506 151 HB THR 18 HB THR 18 1.463 -8.964 1.756 152 HG1 THR 18 1HG THR 18 0.829 -10.298 3.538 153 1HG2 THR 18 1HG2 THR 18 2.251 -9.983 -0.230 154 2HG2 THR 18 2HG2 THR 18 0.691 -10.713 0.150 155 3HG2 THR 18 3HG2 THR 18 2.182 -11.591 0.492 156 H GLU 19 H GLU 19 2.898 -11.759 4.372 157 HA GLU 19 HA GLU 19 4.493 -13.810 2.981 158 1HB GLU 19 2HB GLU 19 5.260 -13.052 5.241 159 2HB GLU 19 1HB GLU 19 3.759 -13.667 5.915 160 1HG GLU 19 2HG GLU 19 5.779 -15.352 4.452 161 2HG GLU 19 1HG GLU 19 5.705 -15.176 6.203 162 H ALA 20 H ALA 20 3.320 -15.341 1.969 163 HA ALA 20 HA ALA 20 1.004 -16.457 3.342 164 1HB ALA 20 1HB ALA 20 -0.552 -16.019 1.714 165 2HB ALA 20 2HB ALA 20 0.664 -15.813 0.454 166 3HB ALA 20 3HB ALA 20 0.416 -14.545 1.654 167 H VAL 21 H VAL 21 0.460 -18.525 2.734 168 HA VAL 21 HA VAL 21 2.463 -20.301 2.127 169 HB VAL 21 HB VAL 21 -0.442 -20.772 1.465 170 1HG1 VAL 21 1HG1 VAL 21 0.985 -22.520 0.639 171 2HG1 VAL 21 2HG1 VAL 21 0.115 -23.114 2.054 172 3HG1 VAL 21 3HG1 VAL 21 1.808 -22.640 2.195 173 1HG2 VAL 21 1HG2 VAL 21 1.002 -20.752 4.091 174 2HG2 VAL 21 2HG2 VAL 21 -0.432 -21.747 3.845 175 3HG2 VAL 21 3HG2 VAL 21 -0.533 -19.996 3.659 176 H ASP 22 H ASP 22 0.548 -18.453 -0.096 177 HA ASP 22 HA ASP 22 2.232 -19.314 -2.280 178 1HB ASP 22 2HB ASP 22 0.439 -20.074 -3.748 179 2HB ASP 22 1HB ASP 22 0.501 -21.061 -2.293 180 H ALA 23 H ALA 23 1.358 -18.241 -4.420 181 HA ALA 23 HA ALA 23 1.502 -15.476 -4.039 182 1HB ALA 23 1HB ALA 23 1.923 -17.013 -6.149 183 2HB ALA 23 2HB ALA 23 1.538 -15.300 -6.314 184 3HB ALA 23 3HB ALA 23 0.277 -16.513 -6.537 185 H ALA 24 H ALA 24 -1.287 -17.560 -4.666 186 HA ALA 24 HA ALA 24 -3.190 -15.496 -4.924 187 1HB ALA 24 1HB ALA 24 -3.264 -18.415 -4.468 188 2HB ALA 24 2HB ALA 24 -4.160 -17.423 -5.618 189 3HB ALA 24 3HB ALA 24 -4.685 -17.515 -3.937 190 H THR 25 H THR 25 -2.382 -17.534 -2.104 191 HA THR 25 HA THR 25 -3.998 -16.319 -0.229 192 HB THR 25 HB THR 25 -2.290 -17.072 1.432 193 HG1 THR 25 1HG THR 25 -0.796 -17.396 -0.904 194 1HG2 THR 25 1HG2 THR 25 -2.100 -19.503 0.187 195 2HG2 THR 25 2HG2 THR 25 -3.549 -18.793 -0.528 196 3HG2 THR 25 3HG2 THR 25 -3.423 -18.967 1.223 197 H ALA 26 H ALA 26 -0.732 -15.460 -1.296 198 HA ALA 26 HA ALA 26 -0.351 -13.241 0.386 199 1HB ALA 26 1HB ALA 26 1.628 -13.685 -0.616 200 2HB ALA 26 2HB ALA 26 1.048 -12.534 -1.821 201 3HB ALA 26 3HB ALA 26 0.868 -14.267 -2.097 202 H GLU 27 H GLU 27 -1.506 -13.420 -2.994 203 HA GLU 27 HA GLU 27 -2.108 -10.775 -3.413 204 1HB GLU 27 2HB GLU 27 -2.219 -12.477 -5.162 205 2HB GLU 27 1HB GLU 27 -3.619 -13.202 -4.386 206 1HG GLU 27 2HG GLU 27 -4.899 -11.159 -4.788 207 2HG GLU 27 1HG GLU 27 -3.495 -10.440 -5.575 208 H LYS 28 H LYS 28 -4.179 -13.291 -2.000 209 HA LYS 28 HA LYS 28 -6.436 -11.664 -1.583 210 1HB LYS 28 2HB LYS 28 -5.532 -14.124 -0.076 211 2HB LYS 28 1HB LYS 28 -7.132 -13.403 0.041 212 1HG LYS 28 2HG LYS 28 -5.891 -14.646 -2.402 213 2HG LYS 28 1HG LYS 28 -7.213 -15.298 -1.431 214 1HD LYS 28 2HD LYS 28 -8.591 -13.358 -2.029 215 2HD LYS 28 1HD LYS 28 -7.270 -12.733 -3.017 216 1HE LYS 28 2HE LYS 28 -8.942 -13.875 -4.387 217 2HE LYS 28 1HE LYS 28 -7.387 -14.705 -4.445 218 1HZ LYS 28 1HZ LYS 28 -8.264 -16.531 -3.556 219 2HZ LYS 28 2HZ LYS 28 -9.779 -15.862 -3.895 220 3HZ LYS 28 3HZ LYS 28 -9.099 -15.677 -2.357 221 H VAL 29 H VAL 29 -3.711 -12.496 0.519 222 HA VAL 29 HA VAL 29 -4.585 -11.152 2.809 223 HB VAL 29 HB VAL 29 -1.747 -11.600 1.864 224 1HG1 VAL 29 1HG1 VAL 29 -1.482 -10.024 3.525 225 2HG1 VAL 29 2HG1 VAL 29 -1.382 -11.531 4.437 226 3HG1 VAL 29 3HG1 VAL 29 -2.879 -10.597 4.438 227 1HG2 VAL 29 1HG2 VAL 29 -2.807 -13.254 4.033 228 2HG2 VAL 29 2HG2 VAL 29 -1.861 -13.709 2.617 229 3HG2 VAL 29 3HG2 VAL 29 -3.606 -13.501 2.482 230 H VAL 30 H VAL 30 -2.782 -10.027 0.002 231 HA VAL 30 HA VAL 30 -2.242 -7.427 0.988 232 HB VAL 30 HB VAL 30 -2.576 -8.312 -1.885 233 1HG1 VAL 30 1HG1 VAL 30 -1.614 -6.332 -2.564 234 2HG1 VAL 30 2HG1 VAL 30 -0.819 -6.064 -1.014 235 3HG1 VAL 30 3HG1 VAL 30 -2.552 -5.784 -1.175 236 1HG2 VAL 30 1HG2 VAL 30 -0.437 -9.072 -1.918 237 2HG2 VAL 30 2HG2 VAL 30 -0.799 -9.389 -0.220 238 3HG2 VAL 30 3HG2 VAL 30 0.100 -7.941 -0.674 239 H LYS 31 H LYS 31 -4.838 -8.757 -1.080 240 HA LYS 31 HA LYS 31 -6.300 -6.488 -1.575 241 1HB LYS 31 2HB LYS 31 -7.285 -9.270 -0.963 242 2HB LYS 31 1HB LYS 31 -8.329 -7.974 -1.522 243 1HG LYS 31 2HG LYS 31 -7.069 -7.807 -3.580 244 2HG LYS 31 1HG LYS 31 -5.959 -9.059 -3.020 245 1HD LYS 31 2HD LYS 31 -7.496 -10.119 -4.484 246 2HD LYS 31 1HD LYS 31 -7.953 -10.588 -2.846 247 1HE LYS 31 2HE LYS 31 -9.234 -8.308 -4.342 248 2HE LYS 31 1HE LYS 31 -9.856 -9.957 -4.373 249 1HZ LYS 31 1HZ LYS 31 -9.564 -9.456 -1.727 250 2HZ LYS 31 2HZ LYS 31 -11.014 -9.337 -2.590 251 3HZ LYS 31 3HZ LYS 31 -10.074 -7.956 -2.324 252 H GLN 32 H GLN 32 -6.581 -8.639 1.219 253 HA GLN 32 HA GLN 32 -8.540 -7.160 2.581 254 1HB GLN 32 2HB GLN 32 -7.998 -9.452 3.162 255 2HB GLN 32 1HB GLN 32 -6.387 -8.971 3.679 256 1HG GLN 32 2HG GLN 32 -7.287 -7.722 5.515 257 2HG GLN 32 1HG GLN 32 -8.933 -7.988 4.947 258 1HE2 GLN 32 1HE2 GLN 32 -7.585 -10.834 4.285 259 2HE2 GLN 32 2HE2 GLN 32 -7.845 -11.667 5.771 260 H PHE 33 H PHE 33 -5.043 -6.945 2.509 261 HA PHE 33 HA PHE 33 -4.533 -5.202 4.595 262 1HB PHE 33 2HB PHE 33 -2.836 -6.327 3.132 263 2HB PHE 33 1HB PHE 33 -3.221 -5.171 1.863 264 HD1 PHE 33 1HD PHE 33 -2.052 -5.353 5.378 265 HD2 PHE 33 2HD PHE 33 -2.024 -3.196 1.697 266 HE1 PHE 33 1HE PHE 33 -0.380 -3.795 6.290 267 HE2 PHE 33 2HE PHE 33 -0.353 -1.647 2.621 268 HZ PHE 33 HZ PHE 33 0.463 -1.955 4.925 269 H PHE 34 H PHE 34 -5.183 -4.390 1.226 270 HA PHE 34 HA PHE 34 -5.503 -1.577 1.732 271 1HB PHE 34 2HB PHE 34 -6.265 -3.205 -0.697 272 2HB PHE 34 1HB PHE 34 -6.216 -1.441 -0.614 273 HD1 PHE 34 1HD PHE 34 -3.841 -0.847 0.833 274 HD2 PHE 34 2HD PHE 34 -4.518 -3.906 -2.038 275 HE1 PHE 34 1HE PHE 34 -1.438 -0.899 0.336 276 HE2 PHE 34 2HE PHE 34 -2.115 -3.963 -2.550 277 HZ PHE 34 HZ PHE 34 -0.575 -2.458 -1.344 278 H ASN 35 H ASN 35 -7.606 -4.336 1.410 279 HA ASN 35 HA ASN 35 -10.106 -3.193 1.231 280 1HB ASN 35 2HB ASN 35 -9.506 -5.662 1.302 281 2HB ASN 35 1HB ASN 35 -9.402 -5.510 3.052 282 1HD2 ASN 35 1HD2 ASN 35 -11.266 -6.629 0.757 283 2HD2 ASN 35 2HD2 ASN 35 -12.836 -6.381 1.434 284 H ASP 36 H ASP 36 -8.047 -3.665 4.013 285 HA ASP 36 HA ASP 36 -9.930 -2.293 5.774 286 1HB ASP 36 2HB ASP 36 -7.331 -3.700 6.412 287 2HB ASP 36 1HB ASP 36 -8.419 -2.993 7.601 288 H ASN 37 H ASN 37 -6.954 -1.618 4.089 289 HA ASN 37 HA ASN 37 -6.257 0.587 5.831 290 1HB ASN 37 2HB ASN 37 -5.181 -0.214 3.117 291 2HB ASN 37 1HB ASN 37 -4.566 1.134 4.065 292 1HD2 ASN 37 1HD2 ASN 37 -3.453 -1.530 3.123 293 2HD2 ASN 37 2HD2 ASN 37 -2.760 -2.209 4.553 294 H GLY 38 H GLY 38 -7.570 0.157 2.593 295 1HA GLY 38 2HA GLY 38 -7.988 2.177 1.208 296 2HA GLY 38 1HA GLY 38 -9.450 1.481 1.867 297 H VAL 39 H VAL 39 -10.802 2.868 2.687 298 HA VAL 39 HA VAL 39 -9.799 5.508 3.532 299 HB VAL 39 HB VAL 39 -12.588 4.763 2.720 300 1HG1 VAL 39 1HG1 VAL 39 -12.941 6.760 3.720 301 2HG1 VAL 39 2HG1 VAL 39 -12.360 7.389 2.178 302 3HG1 VAL 39 3HG1 VAL 39 -11.259 7.262 3.550 303 1HG2 VAL 39 1HG2 VAL 39 -12.154 5.470 0.524 304 2HG2 VAL 39 2HG2 VAL 39 -10.790 4.436 0.942 305 3HG2 VAL 39 3HG2 VAL 39 -10.609 6.191 0.970 306 H ASP 40 H ASP 40 -10.732 2.761 5.120 307 HA ASP 40 HA ASP 40 -12.015 4.353 7.232 308 1HB ASP 40 2HB ASP 40 -12.631 1.494 6.470 309 2HB ASP 40 1HB ASP 40 -13.314 2.345 7.853 310 H GLY 41 H GLY 41 -9.179 3.105 6.567 311 1HA GLY 41 2HA GLY 41 -8.754 1.405 8.864 312 2HA GLY 41 1HA GLY 41 -7.531 1.950 7.728 313 H GLU 42 H GLU 42 -6.685 1.916 10.190 314 HA GLU 42 HA GLU 42 -7.131 4.519 11.440 315 1HB GLU 42 2HB GLU 42 -5.499 2.148 12.372 316 2HB GLU 42 1HB GLU 42 -5.793 3.611 13.300 317 1HG GLU 42 2HG GLU 42 -8.183 3.122 13.325 318 2HG GLU 42 1HG GLU 42 -7.892 1.658 12.388 319 H TRP 43 H TRP 43 -6.035 6.023 10.255 320 HA TRP 43 HA TRP 43 -3.289 5.496 9.450 321 1HB TRP 43 2HB TRP 43 -5.122 7.831 8.902 322 2HB TRP 43 1HB TRP 43 -3.500 7.649 8.243 323 HD1 TRP 43 HD TRP 43 -6.443 5.107 8.357 324 HE1 TRP 43 1HE TRP 43 -6.828 4.262 5.957 325 HE3 TRP 43 3HE TRP 43 -2.945 7.932 5.955 326 HZ2 TRP 43 2HZ TRP 43 -5.770 4.742 3.373 327 HZ3 TRP 43 3HZ TRP 43 -2.689 7.683 3.529 328 HH2 TRP 43 HH TRP 43 -4.074 6.123 2.259 329 H THR 44 H THR 44 -1.681 5.969 10.788 330 HA THR 44 HA THR 44 -1.957 8.291 12.576 331 HB THR 44 HB THR 44 -0.138 7.227 13.910 332 HG1 THR 44 1HG THR 44 -0.544 5.041 12.152 333 1HG2 THR 44 1HG2 THR 44 -1.411 5.473 14.923 334 2HG2 THR 44 2HG2 THR 44 -2.445 5.343 13.500 335 3HG2 THR 44 3HG2 THR 44 -2.497 6.796 14.499 336 H TYR 45 H TYR 45 -0.477 9.941 12.427 337 HA TYR 45 HA TYR 45 1.513 9.678 10.270 338 1HB TYR 45 2HB TYR 45 -0.283 11.351 9.908 339 2HB TYR 45 1HB TYR 45 0.241 12.198 11.358 340 HD1 TYR 45 1HD TYR 45 2.512 10.676 8.860 341 HD2 TYR 45 2HD TYR 45 0.808 14.272 10.365 342 HE1 TYR 45 1HE TYR 45 4.099 11.984 7.513 343 HE2 TYR 45 2HE TYR 45 2.391 15.590 9.023 344 HH TYR 45 HH TYR 45 3.777 15.366 7.064 345 H ASP 46 H ASP 46 3.610 10.373 10.556 346 HA ASP 46 HA ASP 46 4.386 11.087 13.309 347 1HB ASP 46 2HB ASP 46 5.024 8.769 12.809 348 2HB ASP 46 1HB ASP 46 5.892 9.308 11.374 349 H ASP 47 H ASP 47 4.290 13.303 12.643 350 HA ASP 47 HA ASP 47 5.460 14.542 10.517 351 1HB ASP 47 2HB ASP 47 5.497 15.545 13.371 352 2HB ASP 47 1HB ASP 47 5.691 16.536 11.929 353 H ALA 48 H ALA 48 7.080 13.312 13.380 354 HA ALA 48 HA ALA 48 9.531 14.520 13.247 355 1HB ALA 48 1HB ALA 48 8.500 12.572 14.770 356 2HB ALA 48 2HB ALA 48 10.217 12.974 14.740 357 3HB ALA 48 3HB ALA 48 9.610 11.621 13.785 358 H THR 49 H THR 49 8.336 11.941 11.173 359 HA THR 49 HA THR 49 10.817 12.188 9.604 360 HB THR 49 HB THR 49 10.627 9.791 9.032 361 HG1 THR 49 1HG THR 49 8.947 8.691 9.606 362 1HG2 THR 49 1HG2 THR 49 11.356 10.812 11.601 363 2HG2 THR 49 2HG2 THR 49 12.051 9.473 10.688 364 3HG2 THR 49 3HG2 THR 49 10.682 9.192 11.764 365 H LYS 50 H LYS 50 7.897 13.237 9.446 366 HA LYS 50 HA LYS 50 6.292 13.586 7.841 367 1HB LYS 50 2HB LYS 50 8.794 13.335 6.171 368 2HB LYS 50 1HB LYS 50 7.242 13.814 5.497 369 1HG LYS 50 2HG LYS 50 8.678 15.277 7.701 370 2HG LYS 50 1HG LYS 50 8.727 15.718 5.992 371 1HD LYS 50 2HD LYS 50 6.238 15.922 6.054 372 2HD LYS 50 1HD LYS 50 6.314 15.674 7.801 373 1HE LYS 50 2HE LYS 50 7.636 17.908 6.261 374 2HE LYS 50 1HE LYS 50 6.180 18.050 7.244 375 1HZ LYS 50 1HZ LYS 50 8.223 16.893 8.793 376 2HZ LYS 50 2HZ LYS 50 7.435 18.371 9.022 377 3HZ LYS 50 3HZ LYS 50 8.830 18.295 8.067 378 H THR 51 H THR 51 6.540 10.879 8.708 379 HA THR 51 HA THR 51 5.676 9.490 6.266 380 HB THR 51 HB THR 51 7.274 8.345 8.559 381 HG1 THR 51 1HG THR 51 8.361 9.643 6.896 382 1HG2 THR 51 1HG2 THR 51 5.594 6.777 7.476 383 2HG2 THR 51 2HG2 THR 51 7.280 6.264 7.518 384 3HG2 THR 51 3HG2 THR 51 6.591 6.906 6.027 385 H PHE 52 H PHE 52 3.877 8.251 6.382 386 HA PHE 52 HA PHE 52 2.355 8.383 8.896 387 1HB PHE 52 2HB PHE 52 1.321 7.792 6.113 388 2HB PHE 52 1HB PHE 52 0.358 8.100 7.552 389 HD1 PHE 52 1HD PHE 52 -0.483 10.214 7.885 390 HD2 PHE 52 2HD PHE 52 2.962 9.722 5.436 391 HE1 PHE 52 1HE PHE 52 -0.555 12.607 7.309 392 HE2 PHE 52 2HE PHE 52 2.899 12.114 4.861 393 HZ PHE 52 HZ PHE 52 1.141 13.559 5.800 394 H THR 53 H THR 53 1.428 6.528 9.768 395 HA THR 53 HA THR 53 2.313 3.993 8.566 396 HB THR 53 HB THR 53 2.019 3.138 11.012 397 HG1 THR 53 1HG THR 53 2.266 4.640 12.568 398 1HG2 THR 53 1HG2 THR 53 4.378 4.190 11.558 399 2HG2 THR 53 2HG2 THR 53 4.320 4.572 9.839 400 3HG2 THR 53 3HG2 THR 53 4.170 2.896 10.374 401 H VAL 54 H VAL 54 0.799 2.661 7.934 402 HA VAL 54 HA VAL 54 -1.955 3.106 8.874 403 HB VAL 54 HB VAL 54 -1.062 1.716 6.340 404 1HG1 VAL 54 1HG1 VAL 54 -3.236 1.314 5.848 405 2HG1 VAL 54 2HG1 VAL 54 -3.806 2.763 6.674 406 3HG1 VAL 54 3HG1 VAL 54 -3.391 1.325 7.605 407 1HG2 VAL 54 1HG2 VAL 54 -1.769 3.702 5.154 408 2HG2 VAL 54 2HG2 VAL 54 -0.537 4.129 6.343 409 3HG2 VAL 54 3HG2 VAL 54 -2.235 4.477 6.669 410 H THR 55 H THR 55 -2.513 1.710 10.409 411 HA THR 55 HA THR 55 -1.381 -0.997 10.329 412 HB THR 55 HB THR 55 -2.864 0.317 12.606 413 HG1 THR 55 1HG THR 55 -0.758 0.622 13.469 414 1HG2 THR 55 1HG2 THR 55 -1.603 -1.370 13.953 415 2HG2 THR 55 2HG2 THR 55 -1.169 -2.157 12.434 416 3HG2 THR 55 3HG2 THR 55 -2.863 -2.034 12.913 417 H GLU 56 H GLU 56 -2.591 -2.492 9.368 418 HA GLU 56 HA GLU 56 -5.370 -2.089 8.879 419 1HB GLU 56 2HB GLU 56 -5.371 -4.188 7.779 420 2HB GLU 56 1HB GLU 56 -3.804 -3.465 7.445 421 1HG GLU 56 2HG GLU 56 -2.742 -4.891 9.048 422 2HG GLU 56 1HG GLU 56 -4.298 -5.519 9.587 423 1H MET 1 1HT MET 1 6.286 18.473 -2.914 424 2H MET 1 2HT MET 1 6.981 19.840 -2.200 425 3H MET 1 3HT MET 1 5.620 19.122 -1.499 426 HA MET 1 HA MET 1 8.407 18.187 -1.530 427 1HB MET 1 2HB MET 1 7.599 19.523 0.356 428 2HB MET 1 1HB MET 1 6.257 18.412 0.590 429 1HG MET 1 2HG MET 1 7.826 16.629 1.149 430 2HG MET 1 1HG MET 1 9.172 17.742 0.914 431 1HE MET 1 1HE MET 1 8.588 16.057 3.805 432 2HE MET 1 2HE MET 1 9.311 17.368 4.738 433 3HE MET 1 3HE MET 1 9.993 16.919 3.176 434 H GLN 2 H GLN 2 8.789 16.022 -0.667 435 HA GLN 2 HA GLN 2 6.774 14.117 -1.643 436 1HB GLN 2 2HB GLN 2 8.955 13.983 -2.759 437 2HB GLN 2 1HB GLN 2 9.747 13.753 -1.206 438 1HG GLN 2 2HG GLN 2 8.548 11.645 -0.908 439 2HG GLN 2 1HG GLN 2 7.763 11.875 -2.467 440 1HE2 GLN 2 1HE2 GLN 2 10.805 13.085 -2.827 441 2HE2 GLN 2 2HE2 GLN 2 11.601 11.679 -3.430 442 H TYR 3 H TYR 3 6.105 12.403 -0.352 443 HA TYR 3 HA TYR 3 7.095 12.388 2.417 444 1HB TYR 3 2HB TYR 3 4.190 12.278 1.578 445 2HB TYR 3 1HB TYR 3 4.783 12.087 3.225 446 HD1 TYR 3 1HD TYR 3 4.729 13.942 4.597 447 HD2 TYR 3 2HD TYR 3 5.030 14.518 0.392 448 HE1 TYR 3 1HE TYR 3 4.603 16.376 4.928 449 HE2 TYR 3 2HE TYR 3 4.905 16.954 0.711 450 HH TYR 3 HH TYR 3 4.016 18.375 3.687 451 H LYS 4 H LYS 4 7.002 10.398 3.488 452 HA LYS 4 HA LYS 4 6.641 8.101 1.681 453 1HB LYS 4 2HB LYS 4 8.917 8.400 2.615 454 2HB LYS 4 1HB LYS 4 8.254 8.268 4.236 455 1HG LYS 4 2HG LYS 4 7.573 5.988 3.812 456 2HG LYS 4 1HG LYS 4 8.122 6.111 2.140 457 1HD LYS 4 2HD LYS 4 9.773 4.939 3.478 458 2HD LYS 4 1HD LYS 4 10.416 6.489 2.935 459 1HE LYS 4 2HE LYS 4 11.016 6.151 5.240 460 2HE LYS 4 1HE LYS 4 9.834 7.455 5.138 461 1HZ LYS 4 1HZ LYS 4 8.122 5.692 5.649 462 2HZ LYS 4 2HZ LYS 4 9.157 6.114 6.917 463 3HZ LYS 4 3HZ LYS 4 9.409 4.677 6.063 464 H VAL 5 H VAL 5 5.656 6.171 2.558 465 HA VAL 5 HA VAL 5 4.047 6.617 4.967 466 HB VAL 5 HB VAL 5 2.920 5.554 2.374 467 1HG1 VAL 5 1HG1 VAL 5 1.974 4.552 4.443 468 2HG1 VAL 5 2HG1 VAL 5 0.802 5.466 3.497 469 3HG1 VAL 5 3HG1 VAL 5 1.497 6.168 4.959 470 1HG2 VAL 5 1HG2 VAL 5 2.491 8.188 3.775 471 2HG2 VAL 5 2HG2 VAL 5 1.545 7.609 2.404 472 3HG2 VAL 5 3HG2 VAL 5 3.267 7.934 2.212 473 H ILE 6 H ILE 6 4.071 4.969 6.307 474 HA ILE 6 HA ILE 6 5.262 2.449 5.438 475 HB ILE 6 HB ILE 6 4.680 3.562 8.184 476 1HG1 ILE 6 2HG1 ILE 6 7.278 2.905 6.779 477 2HG1 ILE 6 1HG1 ILE 6 6.621 4.520 7.014 478 1HG2 ILE 6 1HG2 ILE 6 6.257 1.392 8.630 479 2HG2 ILE 6 2HG2 ILE 6 5.216 0.810 7.332 480 3HG2 ILE 6 3HG2 ILE 6 4.505 1.423 8.827 481 1HD1 ILE 6 1HD1 ILE 6 8.361 3.148 8.686 482 2HD1 ILE 6 2HD1 ILE 6 6.807 3.117 9.519 483 3HD1 ILE 6 3HD1 ILE 6 7.516 4.656 9.034 484 H LEU 7 H LEU 7 3.915 0.927 4.759 485 HA LEU 7 HA LEU 7 1.161 0.882 5.736 486 1HB LEU 7 2HB LEU 7 2.292 -0.979 3.665 487 2HB LEU 7 1HB LEU 7 0.638 -0.430 3.859 488 HG LEU 7 HG LEU 7 2.952 1.180 2.801 489 1HD1 LEU 7 1HD1 LEU 7 0.409 0.631 1.348 490 2HD1 LEU 7 2HD1 LEU 7 1.652 -0.617 1.415 491 3HD1 LEU 7 3HD1 LEU 7 2.020 0.959 0.715 492 1HD2 LEU 7 1HD2 LEU 7 0.102 2.004 3.338 493 2HD2 LEU 7 2HD2 LEU 7 1.287 2.959 2.446 494 3HD2 LEU 7 3HD2 LEU 7 1.544 2.607 4.154 495 H ASN 8 H ASN 8 1.631 0.141 7.846 496 HA ASN 8 HA ASN 8 2.918 -2.450 8.143 497 1HB ASN 8 2HB ASN 8 3.466 -0.463 9.585 498 2HB ASN 8 1HB ASN 8 1.856 -0.604 10.282 499 1HD2 ASN 8 1HD2 ASN 8 4.881 -1.140 10.986 500 2HD2 ASN 8 2HD2 ASN 8 4.771 -2.577 11.941 501 H GLY 9 H GLY 9 1.601 -4.162 7.786 502 1HA GLY 9 2HA GLY 9 -1.062 -4.078 9.055 503 2HA GLY 9 1HA GLY 9 -0.701 -4.990 7.599 504 H LYS 10 H LYS 10 -1.775 -6.641 9.010 505 HA LYS 10 HA LYS 10 -0.279 -7.750 11.178 506 1HB LYS 10 2HB LYS 10 -2.557 -8.960 9.597 507 2HB LYS 10 1HB LYS 10 -1.975 -9.498 11.168 508 1HG LYS 10 2HG LYS 10 -2.766 -7.538 12.233 509 2HG LYS 10 1HG LYS 10 -3.082 -6.747 10.689 510 1HD LYS 10 2HD LYS 10 -5.166 -7.486 11.647 511 2HD LYS 10 1HD LYS 10 -4.812 -8.450 10.214 512 1HE LYS 10 2HE LYS 10 -4.189 -9.329 13.027 513 2HE LYS 10 1HE LYS 10 -5.679 -9.738 12.181 514 1HZ LYS 10 1HZ LYS 10 -4.561 -11.507 11.466 515 2HZ LYS 10 2HZ LYS 10 -3.059 -10.874 11.914 516 3HZ LYS 10 3HZ LYS 10 -3.742 -10.458 10.424 517 H THR 11 H THR 11 -1.112 -8.936 7.918 518 HA THR 11 HA THR 11 1.176 -10.758 8.025 519 HB THR 11 HB THR 11 -0.094 -11.717 5.969 520 HG1 THR 11 1HG THR 11 -1.544 -9.809 6.024 521 1HG2 THR 11 1HG2 THR 11 -0.142 -12.427 8.594 522 2HG2 THR 11 2HG2 THR 11 -0.910 -13.323 7.282 523 3HG2 THR 11 3HG2 THR 11 -1.854 -12.186 8.246 524 H LEU 12 H LEU 12 0.641 -7.741 7.044 525 HA LEU 12 HA LEU 12 2.442 -8.041 4.762 526 1HB LEU 12 2HB LEU 12 0.205 -7.842 3.836 527 2HB LEU 12 1HB LEU 12 -0.075 -6.384 4.767 528 HG LEU 12 HG LEU 12 1.528 -5.164 3.469 529 1HD1 LEU 12 1HD1 LEU 12 2.275 -6.856 1.396 530 2HD1 LEU 12 2HD1 LEU 12 2.484 -7.812 2.859 531 3HD1 LEU 12 3HD1 LEU 12 3.298 -6.261 2.704 532 1HD2 LEU 12 1HD2 LEU 12 0.080 -4.832 1.813 533 2HD2 LEU 12 2HD2 LEU 12 -0.837 -6.191 2.459 534 3HD2 LEU 12 3HD2 LEU 12 0.333 -6.453 1.167 535 H LYS 13 H LYS 13 3.966 -6.512 4.559 536 HA LYS 13 HA LYS 13 3.806 -4.062 6.135 537 1HB LYS 13 2HB LYS 13 6.081 -6.034 6.388 538 2HB LYS 13 1HB LYS 13 6.062 -4.423 7.088 539 1HG LYS 13 2HG LYS 13 4.101 -5.071 8.439 540 2HG LYS 13 1HG LYS 13 4.225 -6.705 7.784 541 1HD LYS 13 2HD LYS 13 6.416 -5.311 9.320 542 2HD LYS 13 1HD LYS 13 5.256 -6.429 10.036 543 1HE LYS 13 2HE LYS 13 7.217 -7.681 9.601 544 2HE LYS 13 1HE LYS 13 6.045 -8.142 8.369 545 1HZ LYS 13 1HZ LYS 13 7.372 -7.408 6.763 546 2HZ LYS 13 2HZ LYS 13 8.601 -7.322 7.920 547 3HZ LYS 13 3HZ LYS 13 7.690 -5.946 7.553 548 H GLY 14 H GLY 14 5.084 -2.374 5.312 549 1HA GLY 14 2HA GLY 14 7.132 -2.659 3.424 550 2HA GLY 14 1HA GLY 14 5.622 -2.485 2.546 551 H GLU 15 H GLU 15 6.803 -0.579 1.720 552 HA GLU 15 HA GLU 15 6.031 1.763 3.266 553 1HB GLU 15 2HB GLU 15 8.838 1.369 2.207 554 2HB GLU 15 1HB GLU 15 8.214 2.860 2.901 555 1HG GLU 15 2HG GLU 15 7.876 1.724 5.037 556 2HG GLU 15 1HG GLU 15 8.503 0.231 4.341 557 H THR 16 H THR 16 5.935 3.708 1.985 558 HA THR 16 HA THR 16 6.196 3.452 -0.888 559 HB THR 16 HB THR 16 4.023 2.641 -0.863 560 HG1 THR 16 1HG THR 16 3.567 5.412 -0.835 561 1HG2 THR 16 1HG2 THR 16 3.780 4.054 1.656 562 2HG2 THR 16 2HG2 THR 16 2.955 2.609 1.083 563 3HG2 THR 16 3HG2 THR 16 2.352 4.204 0.636 564 H THR 17 H THR 17 5.546 5.606 -1.983 565 HA THR 17 HA THR 17 5.898 7.889 -0.185 566 HB THR 17 HB THR 17 7.660 8.825 -1.682 567 HG1 THR 17 1HG THR 17 8.652 7.464 -3.139 568 1HG2 THR 17 1HG2 THR 17 7.984 6.968 0.345 569 2HG2 THR 17 2HG2 THR 17 9.219 8.028 -0.331 570 3HG2 THR 17 3HG2 THR 17 9.022 6.391 -0.958 571 H THR 18 H THR 18 4.402 9.323 -0.611 572 HA THR 18 HA THR 18 3.376 9.640 -3.370 573 HB THR 18 HB THR 18 1.706 8.979 -1.644 574 HG1 THR 18 1HG THR 18 1.130 10.326 -3.435 575 1HG2 THR 18 1HG2 THR 18 2.488 9.979 0.352 576 2HG2 THR 18 2HG2 THR 18 0.953 10.745 -0.049 577 3HG2 THR 18 3HG2 THR 18 2.470 11.587 -0.371 578 H GLU 19 H GLU 19 3.243 11.737 -4.239 579 HA GLU 19 HA GLU 19 4.868 13.748 -2.826 580 1HB GLU 19 2HB GLU 19 5.649 12.972 -5.075 581 2HB GLU 19 1HB GLU 19 4.173 13.624 -5.769 582 1HG GLU 19 2HG GLU 19 6.212 15.259 -4.279 583 2HG GLU 19 1HG GLU 19 6.159 15.084 -6.030 584 H ALA 20 H ALA 20 3.719 15.307 -1.831 585 HA ALA 20 HA ALA 20 1.449 16.479 -3.236 586 1HB ALA 20 1HB ALA 20 -0.138 16.080 -1.631 587 2HB ALA 20 2HB ALA 20 1.054 15.845 -0.352 588 3HB ALA 20 3HB ALA 20 0.793 14.584 -1.557 589 H VAL 21 H VAL 21 0.948 18.560 -2.634 590 HA VAL 21 HA VAL 21 2.984 20.287 -2.000 591 HB VAL 21 HB VAL 21 0.083 20.830 -1.379 592 1HG1 VAL 21 1HG1 VAL 21 1.541 22.542 -0.532 593 2HG1 VAL 21 2HG1 VAL 21 0.706 23.157 -1.958 594 3HG1 VAL 21 3HG1 VAL 21 2.389 22.641 -2.076 595 1HG2 VAL 21 1HG2 VAL 21 1.564 20.774 -3.983 596 2HG2 VAL 21 2HG2 VAL 21 0.150 21.805 -3.758 597 3HG2 VAL 21 3HG2 VAL 21 0.006 20.055 -3.573 598 H ASP 22 H ASP 22 0.995 18.487 0.197 599 HA ASP 22 HA ASP 22 2.669 19.308 2.404 600 1HB ASP 22 2HB ASP 22 0.874 20.109 3.847 601 2HB ASP 22 1HB ASP 22 0.979 21.095 2.392 602 H ALA 23 H ALA 23 1.738 18.257 4.530 603 HA ALA 23 HA ALA 23 1.820 15.489 4.152 604 1HB ALA 23 1HB ALA 23 2.249 17.015 6.268 605 2HB ALA 23 2HB ALA 23 1.820 15.312 6.426 606 3HB ALA 23 3HB ALA 23 0.586 16.556 6.632 607 H ALA 24 H ALA 24 -0.926 17.639 4.740 608 HA ALA 24 HA ALA 24 -2.881 15.623 4.972 609 1HB ALA 24 1HB ALA 24 -2.879 18.540 4.514 610 2HB ALA 24 2HB ALA 24 -3.815 17.572 5.651 611 3HB ALA 24 3HB ALA 24 -4.315 17.678 3.963 612 H THR 25 H THR 25 -1.985 17.641 2.163 613 HA THR 25 HA THR 25 -3.604 16.464 0.264 614 HB THR 25 HB THR 25 -1.854 17.175 -1.373 615 HG1 THR 25 1HG THR 25 -0.386 17.462 0.986 616 1HG2 THR 25 1HG2 THR 25 -1.623 19.601 -0.124 617 2HG2 THR 25 2HG2 THR 25 -3.098 18.927 0.570 618 3HG2 THR 25 3HG2 THR 25 -2.944 19.097 -1.179 619 H ALA 26 H ALA 26 -0.375 15.526 1.378 620 HA ALA 26 HA ALA 26 -0.024 13.298 -0.300 621 1HB ALA 26 1HB ALA 26 1.953 13.693 0.732 622 2HB ALA 26 2HB ALA 26 1.326 12.558 1.927 623 3HB ALA 26 3HB ALA 26 1.184 14.295 2.200 624 H GLU 27 H GLU 27 -1.221 13.506 3.065 625 HA GLU 27 HA GLU 27 -1.893 10.877 3.474 626 1HB GLU 27 2HB GLU 27 -1.987 12.580 5.223 627 2HB GLU 27 1HB GLU 27 -3.360 13.339 4.427 628 1HG GLU 27 2HG GLU 27 -4.693 11.329 4.811 629 2HG GLU 27 1HG GLU 27 -3.317 10.575 5.616 630 H LYS 28 H LYS 28 -3.882 13.441 2.031 631 HA LYS 28 HA LYS 28 -6.173 11.870 1.583 632 1HB LYS 28 2HB LYS 28 -5.188 14.308 0.091 633 2HB LYS 28 1HB LYS 28 -6.803 13.625 -0.050 634 1HG LYS 28 2HG LYS 28 -5.567 14.838 2.411 635 2HG LYS 28 1HG LYS 28 -6.859 15.520 1.421 636 1HD LYS 28 2HD LYS 28 -8.291 13.616 1.999 637 2HD LYS 28 1HD LYS 28 -7.000 12.958 3.007 638 1HE LYS 28 2HE LYS 28 -8.663 14.142 4.352 639 2HE LYS 28 1HE LYS 28 -7.089 14.933 4.431 640 1HZ LYS 28 1HZ LYS 28 -7.909 16.781 3.531 641 2HZ LYS 28 2HZ LYS 28 -9.445 16.148 3.848 642 3HZ LYS 28 3HZ LYS 28 -8.748 15.946 2.321 643 H VAL 29 H VAL 29 -3.399 12.635 -0.479 644 HA VAL 29 HA VAL 29 -4.273 11.313 -2.784 645 HB VAL 29 HB VAL 29 -1.438 11.693 -1.796 646 1HG1 VAL 29 1HG1 VAL 29 -1.187 10.109 -3.455 647 2HG1 VAL 29 2HG1 VAL 29 -1.039 11.612 -4.364 648 3HG1 VAL 29 3HG1 VAL 29 -2.557 10.715 -4.386 649 1HG2 VAL 29 1HG2 VAL 29 -2.427 13.370 -3.981 650 2HG2 VAL 29 2HG2 VAL 29 -1.490 13.802 -2.551 651 3HG2 VAL 29 3HG2 VAL 29 -3.242 13.636 -2.440 652 H VAL 30 H VAL 30 -2.537 10.144 0.049 653 HA VAL 30 HA VAL 30 -2.046 7.531 -0.928 654 HB VAL 30 HB VAL 30 -2.399 8.425 1.939 655 1HG1 VAL 30 1HG1 VAL 30 -1.497 6.422 2.632 656 2HG1 VAL 30 2HG1 VAL 30 -0.686 6.134 1.093 657 3HG1 VAL 30 3HG1 VAL 30 -2.428 5.898 1.229 658 1HG2 VAL 30 1HG2 VAL 30 -0.243 9.133 2.001 659 2HG2 VAL 30 2HG2 VAL 30 -0.573 9.458 0.299 660 3HG2 VAL 30 3HG2 VAL 30 0.283 7.989 0.766 661 H LYS 31 H LYS 31 -4.639 8.926 1.102 662 HA LYS 31 HA LYS 31 -6.161 6.692 1.576 663 1HB LYS 31 2HB LYS 31 -7.071 9.498 0.951 664 2HB LYS 31 1HB LYS 31 -8.153 8.227 1.494 665 1HG LYS 31 2HG LYS 31 -6.927 8.030 3.570 666 2HG LYS 31 1HG LYS 31 -5.780 9.254 3.026 667 1HD LYS 31 2HD LYS 31 -7.312 10.352 4.468 668 2HD LYS 31 1HD LYS 31 -7.734 10.831 2.824 669 1HE LYS 31 2HE LYS 31 -9.090 8.584 4.302 670 2HE LYS 31 1HE LYS 31 -9.672 10.247 4.324 671 1HZ LYS 31 1HZ LYS 31 -9.355 9.739 1.683 672 2HZ LYS 31 2HZ LYS 31 -10.818 9.655 2.525 673 3HZ LYS 31 3HZ LYS 31 -9.911 8.252 2.274 674 H GLN 32 H GLN 32 -6.351 8.849 -1.221 675 HA GLN 32 HA GLN 32 -8.326 7.417 -2.610 676 1HB GLN 32 2HB GLN 32 -7.721 9.695 -3.184 677 2HB GLN 32 1HB GLN 32 -6.116 9.175 -3.679 678 1HG GLN 32 2HG GLN 32 -7.019 7.949 -5.528 679 2HG GLN 32 1HG GLN 32 -8.664 8.256 -4.982 680 1HE2 GLN 32 1HE2 GLN 32 -7.259 11.066 -4.300 681 2HE2 GLN 32 2HE2 GLN 32 -7.477 11.906 -5.789 682 H PHE 33 H PHE 33 -4.837 7.117 -2.488 683 HA PHE 33 HA PHE 33 -4.339 5.362 -4.568 684 1HB PHE 33 2HB PHE 33 -2.636 6.446 -3.080 685 2HB PHE 33 1HB PHE 33 -3.067 5.301 -1.819 686 HD1 PHE 33 1HD PHE 33 -1.845 5.453 -5.316 687 HD2 PHE 33 2HD PHE 33 -1.923 3.296 -1.637 688 HE1 PHE 33 1HE PHE 33 -0.199 3.855 -6.205 689 HE2 PHE 33 2HE PHE 33 -0.277 1.707 -2.536 690 HZ PHE 33 HZ PHE 33 0.578 1.995 -4.828 691 H PHE 34 H PHE 34 -5.057 4.567 -1.209 692 HA PHE 34 HA PHE 34 -5.438 1.762 -1.720 693 1HB PHE 34 2HB PHE 34 -6.195 3.409 0.698 694 2HB PHE 34 1HB PHE 34 -6.188 1.643 0.615 695 HD1 PHE 34 1HD PHE 34 -3.807 0.993 -0.798 696 HD2 PHE 34 2HD PHE 34 -4.449 4.067 2.064 697 HE1 PHE 34 1HE PHE 34 -1.410 0.987 -0.268 698 HE2 PHE 34 2HE PHE 34 -2.054 4.067 2.611 699 HZ PHE 34 HZ PHE 34 -0.533 2.525 1.424 700 H ASN 35 H ASN 35 -7.477 4.572 -1.429 701 HA ASN 35 HA ASN 35 -10.008 3.490 -1.285 702 1HB ASN 35 2HB ASN 35 -9.346 5.943 -1.345 703 2HB ASN 35 1HB ASN 35 -9.221 5.789 -3.094 704 1HD2 ASN 35 1HD2 ASN 35 -11.090 6.954 -0.825 705 2HD2 ASN 35 2HD2 ASN 35 -12.654 6.744 -1.526 706 H ASP 36 H ASP 36 -7.899 3.911 -4.037 707 HA ASP 36 HA ASP 36 -9.789 2.585 -5.823 708 1HB ASP 36 2HB ASP 36 -7.148 3.928 -6.424 709 2HB ASP 36 1HB ASP 36 -8.236 3.248 -7.630 710 H ASN 37 H ASN 37 -6.855 1.838 -4.096 711 HA ASN 37 HA ASN 37 -6.188 -0.383 -5.828 712 1HB ASN 37 2HB ASN 37 -5.130 0.391 -3.100 713 2HB ASN 37 1HB ASN 37 -4.533 -0.971 -4.040 714 1HD2 ASN 37 1HD2 ASN 37 -3.369 1.665 -3.080 715 2HD2 ASN 37 2HD2 ASN 37 -2.641 2.328 -4.503 716 H GLY 38 H GLY 38 -7.535 0.079 -2.611 717 1HA GLY 38 2HA GLY 38 -8.020 -1.930 -1.231 718 2HA GLY 38 1HA GLY 38 -9.456 -1.198 -1.910 719 H VAL 39 H VAL 39 -10.830 -2.553 -2.751 720 HA VAL 39 HA VAL 39 -9.879 -5.216 -3.583 721 HB VAL 39 HB VAL 39 -12.660 -4.404 -2.810 722 1HG1 VAL 39 1HG1 VAL 39 -13.048 -6.391 -3.813 723 2HG1 VAL 39 2HG1 VAL 39 -12.502 -7.034 -2.264 724 3HG1 VAL 39 3HG1 VAL 39 -11.381 -6.935 -3.620 725 1HG2 VAL 39 1HG2 VAL 39 -12.276 -5.120 -0.607 726 2HG2 VAL 39 2HG2 VAL 39 -10.879 -4.120 -1.007 727 3HG2 VAL 39 3HG2 VAL 39 -10.740 -5.878 -1.031 728 H ASP 40 H ASP 40 -10.722 -2.448 -5.183 729 HA ASP 40 HA ASP 40 -12.014 -4.009 -7.313 730 1HB ASP 40 2HB ASP 40 -12.572 -1.135 -6.559 731 2HB ASP 40 1HB ASP 40 -13.254 -1.970 -7.952 732 H GLY 41 H GLY 41 -9.159 -2.829 -6.608 733 1HA GLY 41 2HA GLY 41 -8.660 -1.142 -8.899 734 2HA GLY 41 1HA GLY 41 -7.467 -1.715 -7.745 735 H GLU 42 H GLU 42 -6.588 -1.701 -10.195 736 HA GLU 42 HA GLU 42 -7.076 -4.295 -11.450 737 1HB GLU 42 2HB GLU 42 -5.373 -1.963 -12.358 738 2HB GLU 42 1HB GLU 42 -5.690 -3.420 -13.292 739 1HG GLU 42 2HG GLU 42 -8.068 -2.873 -13.349 740 2HG GLU 42 1HG GLU 42 -7.754 -1.415 -12.409 741 H TRP 43 H TRP 43 -6.034 -5.823 -10.249 742 HA TRP 43 HA TRP 43 -3.288 -5.364 -9.406 743 1HB TRP 43 2HB TRP 43 -5.184 -7.653 -8.886 744 2HB TRP 43 1HB TRP 43 -3.567 -7.511 -8.204 745 HD1 TRP 43 HD TRP 43 -6.447 -4.898 -8.358 746 HE1 TRP 43 1HE TRP 43 -6.845 -4.043 -5.966 747 HE3 TRP 43 3HE TRP 43 -3.053 -7.807 -5.906 748 HZ2 TRP 43 2HZ TRP 43 -5.836 -4.548 -3.365 749 HZ3 TRP 43 3HZ TRP 43 -2.825 -7.565 -3.479 750 HH2 TRP 43 HH TRP 43 -4.188 -5.969 -2.228 751 H THR 44 H THR 44 -1.674 -5.876 -10.722 752 HA THR 44 HA THR 44 -1.981 -8.190 -12.516 753 HB THR 44 HB THR 44 -0.117 -7.172 -13.823 754 HG1 THR 44 1HG THR 44 -0.494 -4.976 -12.072 755 1HG2 THR 44 1HG2 THR 44 -1.332 -5.387 -14.853 756 2HG2 THR 44 2HG2 THR 44 -2.382 -5.231 -13.444 757 3HG2 THR 44 3HG2 THR 44 -2.456 -6.682 -14.444 758 H TYR 45 H TYR 45 -0.542 -9.876 -12.346 759 HA TYR 45 HA TYR 45 1.422 -9.661 -10.160 760 1HB TYR 45 2HB TYR 45 -0.418 -11.289 -9.824 761 2HB TYR 45 1HB TYR 45 0.105 -12.148 -11.266 762 HD1 TYR 45 1HD TYR 45 2.376 -10.683 -8.737 763 HD2 TYR 45 2HD TYR 45 0.607 -14.237 -10.265 764 HE1 TYR 45 1HE TYR 45 3.912 -12.030 -7.367 765 HE2 TYR 45 2HE TYR 45 2.138 -15.593 -8.901 766 HH TYR 45 HH TYR 45 3.502 -15.402 -6.924 767 H ASP 46 H ASP 46 3.507 -10.406 -10.418 768 HA ASP 46 HA ASP 46 4.303 -11.142 -13.157 769 1HB ASP 46 2HB ASP 46 4.992 -8.839 -12.649 770 2HB ASP 46 1HB ASP 46 5.824 -9.400 -11.202 771 H ASP 47 H ASP 47 4.144 -13.353 -12.494 772 HA ASP 47 HA ASP 47 5.253 -14.620 -10.352 773 1HB ASP 47 2HB ASP 47 5.306 -15.623 -13.205 774 2HB ASP 47 1HB ASP 47 5.457 -16.619 -11.761 775 H ALA 48 H ALA 48 6.943 -13.430 -13.192 776 HA ALA 48 HA ALA 48 9.361 -14.697 -13.024 777 1HB ALA 48 1HB ALA 48 8.400 -12.726 -14.562 778 2HB ALA 48 2HB ALA 48 10.106 -13.168 -14.508 779 3HB ALA 48 3HB ALA 48 9.519 -11.801 -13.562 780 H THR 49 H THR 49 8.200 -12.090 -10.968 781 HA THR 49 HA THR 49 10.652 -12.398 -9.364 782 HB THR 49 HB THR 49 10.514 -9.995 -8.794 783 HG1 THR 49 1HG THR 49 8.869 -8.855 -9.390 784 1HG2 THR 49 1HG2 THR 49 11.253 -11.036 -11.352 785 2HG2 THR 49 2HG2 THR 49 11.967 -9.714 -10.429 786 3HG2 THR 49 3HG2 THR 49 10.620 -9.399 -11.524 787 H LYS 50 H LYS 50 7.706 -13.374 -9.247 788 HA LYS 50 HA LYS 50 6.069 -13.683 -7.665 789 1HB LYS 50 2HB LYS 50 8.553 -13.494 -5.960 790 2HB LYS 50 1HB LYS 50 6.982 -13.933 -5.308 791 1HG LYS 50 2HG LYS 50 8.413 -15.433 -7.491 792 2HG LYS 50 1HG LYS 50 8.426 -15.872 -5.782 793 1HD LYS 50 2HD LYS 50 5.934 -16.017 -5.880 794 2HD LYS 50 1HD LYS 50 6.042 -15.773 -7.624 795 1HE LYS 50 2HE LYS 50 7.288 -18.037 -6.066 796 2HE LYS 50 1HE LYS 50 5.842 -18.144 -7.071 797 1HZ LYS 50 1HZ LYS 50 7.934 -17.035 -8.590 798 2HZ LYS 50 2HZ LYS 50 7.114 -18.496 -8.831 799 3HZ LYS 50 3HZ LYS 50 8.495 -18.453 -7.855 800 H THR 51 H THR 51 6.397 -10.984 -8.528 801 HA THR 51 HA THR 51 5.532 -9.574 -6.098 802 HB THR 51 HB THR 51 7.188 -8.469 -8.369 803 HG1 THR 51 1HG THR 51 8.221 -9.792 -6.688 804 1HG2 THR 51 1HG2 THR 51 5.533 -6.860 -7.308 805 2HG2 THR 51 2HG2 THR 51 7.231 -6.388 -7.325 806 3HG2 THR 51 3HG2 THR 51 6.505 -7.013 -5.845 807 H PHE 52 H PHE 52 3.765 -8.291 -6.238 808 HA PHE 52 HA PHE 52 2.276 -8.387 -8.772 809 1HB PHE 52 2HB PHE 52 1.218 -7.771 -6.005 810 2HB PHE 52 1HB PHE 52 0.268 -8.057 -7.459 811 HD1 PHE 52 1HD PHE 52 -0.619 -10.149 -7.804 812 HD2 PHE 52 2HD PHE 52 2.801 -9.741 -5.306 813 HE1 PHE 52 1HE PHE 52 -0.757 -12.539 -7.229 814 HE2 PHE 52 2HE PHE 52 2.672 -12.130 -4.732 815 HZ PHE 52 HZ PHE 52 0.892 -13.531 -5.696 816 H THR 53 H THR 53 1.407 -6.509 -9.660 817 HA THR 53 HA THR 53 2.336 -3.997 -8.444 818 HB THR 53 HB THR 53 2.097 -3.135 -10.894 819 HG1 THR 53 1HG THR 53 2.331 -4.643 -12.447 820 1HG2 THR 53 1HG2 THR 53 4.437 -4.245 -11.407 821 2HG2 THR 53 2HG2 THR 53 4.347 -4.625 -9.687 822 3HG2 THR 53 3HG2 THR 53 4.245 -2.945 -10.227 823 H VAL 54 H VAL 54 0.847 -2.630 -7.832 824 HA VAL 54 HA VAL 54 -1.904 -3.006 -8.812 825 HB VAL 54 HB VAL 54 -1.015 -1.638 -6.266 826 1HG1 VAL 54 1HG1 VAL 54 -3.183 -1.183 -5.805 827 2HG1 VAL 54 2HG1 VAL 54 -3.778 -2.618 -6.638 828 3HG1 VAL 54 3HG1 VAL 54 -3.314 -1.190 -7.564 829 1HG2 VAL 54 1HG2 VAL 54 -1.785 -3.606 -5.090 830 2HG2 VAL 54 2HG2 VAL 54 -0.547 -4.062 -6.262 831 3HG2 VAL 54 3HG2 VAL 54 -2.248 -4.369 -6.611 832 H THR 55 H THR 55 -2.407 -1.596 -10.354 833 HA THR 55 HA THR 55 -1.211 1.081 -10.258 834 HB THR 55 HB THR 55 -2.692 -0.197 -12.556 835 HG1 THR 55 1HG THR 55 -0.582 -0.552 -13.388 836 1HG2 THR 55 1HG2 THR 55 -1.371 1.459 -13.885 837 2HG2 THR 55 2HG2 THR 55 -0.940 2.234 -12.360 838 3HG2 THR 55 3HG2 THR 55 -2.630 2.152 -12.861 839 H GLU 56 H GLU 56 -2.397 2.605 -9.314 840 HA GLU 56 HA GLU 56 -5.192 2.271 -8.863 841 1HB GLU 56 2HB GLU 56 -5.159 4.369 -7.764 842 2HB GLU 56 1HB GLU 56 -3.613 3.608 -7.407 843 1HG GLU 56 2HG GLU 56 -2.494 5.008 -8.994 844 2HG GLU 56 1HG GLU 56 -4.026 5.674 -9.557 Start of MODEL 18 1 1H MET 1 1HT MET 1 4.744 -17.602 1.443 2 2H MET 1 2HT MET 1 5.371 -18.994 2.166 3 3H MET 1 3HT MET 1 5.352 -18.856 0.482 4 HA MET 1 HA MET 1 7.306 -18.025 2.333 5 1HB MET 1 2HB MET 1 8.618 -17.745 0.240 6 2HB MET 1 1HB MET 1 7.807 -19.287 0.368 7 1HG MET 1 2HG MET 1 7.335 -18.847 -1.776 8 2HG MET 1 1HG MET 1 5.974 -18.011 -1.047 9 1HE MET 1 1HE MET 1 9.375 -17.296 -3.264 10 2HE MET 1 2HE MET 1 9.664 -17.576 -1.547 11 3HE MET 1 3HE MET 1 9.881 -15.962 -2.225 12 H GLN 2 H GLN 2 8.615 -15.984 0.756 13 HA GLN 2 HA GLN 2 7.068 -13.699 1.731 14 1HB GLN 2 2HB GLN 2 9.369 -13.908 2.539 15 2HB GLN 2 1HB GLN 2 9.967 -13.892 0.886 16 1HG GLN 2 2HG GLN 2 9.120 -11.619 0.602 17 2HG GLN 2 1HG GLN 2 8.524 -11.634 2.258 18 1HE2 GLN 2 1HE2 GLN 2 11.335 -13.351 2.314 19 2HE2 GLN 2 2HE2 GLN 2 12.433 -12.084 2.720 20 H TYR 3 H TYR 3 6.062 -12.349 0.405 21 HA TYR 3 HA TYR 3 6.858 -12.325 -2.432 22 1HB TYR 3 2HB TYR 3 4.058 -12.054 -1.311 23 2HB TYR 3 1HB TYR 3 4.498 -11.988 -3.016 24 HD1 TYR 3 1HD TYR 3 4.037 -13.903 -4.217 25 HD2 TYR 3 2HD TYR 3 5.115 -14.283 -0.115 26 HE1 TYR 3 1HE TYR 3 3.793 -16.344 -4.380 27 HE2 TYR 3 2HE TYR 3 4.900 -16.726 -0.271 28 HH TYR 3 HH TYR 3 3.592 -18.270 -3.140 29 H LYS 4 H LYS 4 6.838 -10.336 -3.489 30 HA LYS 4 HA LYS 4 6.677 -8.013 -1.680 31 1HB LYS 4 2HB LYS 4 8.917 -8.418 -2.572 32 2HB LYS 4 1HB LYS 4 8.288 -8.374 -4.213 33 1HG LYS 4 2HG LYS 4 7.648 -6.027 -3.894 34 2HG LYS 4 1HG LYS 4 8.326 -6.078 -2.265 35 1HD LYS 4 2HD LYS 4 9.855 -6.556 -4.822 36 2HD LYS 4 1HD LYS 4 9.885 -5.072 -3.868 37 1HE LYS 4 2HE LYS 4 10.775 -7.796 -2.928 38 2HE LYS 4 1HE LYS 4 11.837 -6.476 -3.412 39 1HZ LYS 4 1HZ LYS 4 11.693 -6.491 -1.052 40 2HZ LYS 4 2HZ LYS 4 10.003 -6.534 -1.081 41 3HZ LYS 4 3HZ LYS 4 10.821 -5.148 -1.597 42 H VAL 5 H VAL 5 4.767 -7.026 -1.927 43 HA VAL 5 HA VAL 5 3.574 -6.884 -4.591 44 HB VAL 5 HB VAL 5 2.452 -6.082 -1.902 45 1HG1 VAL 5 1HG1 VAL 5 1.130 -6.110 -4.610 46 2HG1 VAL 5 2HG1 VAL 5 1.505 -4.685 -3.643 47 3HG1 VAL 5 3HG1 VAL 5 0.306 -5.846 -3.075 48 1HG2 VAL 5 1HG2 VAL 5 2.688 -8.600 -3.168 49 2HG2 VAL 5 2HG2 VAL 5 0.985 -8.143 -3.200 50 3HG2 VAL 5 3HG2 VAL 5 1.853 -8.200 -1.667 51 H ILE 6 H ILE 6 3.985 -5.235 -5.832 52 HA ILE 6 HA ILE 6 4.984 -2.740 -4.675 53 HB ILE 6 HB ILE 6 4.849 -3.560 -7.584 54 1HG1 ILE 6 2HG1 ILE 6 7.201 -3.493 -5.682 55 2HG1 ILE 6 1HG1 ILE 6 6.377 -4.952 -6.213 56 1HG2 ILE 6 1HG2 ILE 6 6.623 -1.408 -6.534 57 2HG2 ILE 6 2HG2 ILE 6 4.922 -1.046 -6.819 58 3HG2 ILE 6 3HG2 ILE 6 5.936 -1.616 -8.144 59 1HD1 ILE 6 1HD1 ILE 6 7.083 -4.573 -8.483 60 2HD1 ILE 6 2HD1 ILE 6 8.484 -4.526 -7.411 61 3HD1 ILE 6 3HD1 ILE 6 7.799 -3.025 -8.034 62 H LEU 7 H LEU 7 3.838 -0.942 -4.566 63 HA LEU 7 HA LEU 7 1.155 -0.934 -5.773 64 1HB LEU 7 2HB LEU 7 2.059 0.879 -3.557 65 2HB LEU 7 1HB LEU 7 0.428 0.378 -3.970 66 HG LEU 7 HG LEU 7 2.546 -1.332 -2.680 67 1HD1 LEU 7 1HD1 LEU 7 1.457 0.366 -1.239 68 2HD1 LEU 7 2HD1 LEU 7 1.127 -1.294 -0.748 69 3HD1 LEU 7 3HD1 LEU 7 -0.101 -0.369 -1.613 70 1HD2 LEU 7 1HD2 LEU 7 -0.292 -2.058 -3.386 71 2HD2 LEU 7 2HD2 LEU 7 0.913 -3.093 -2.620 72 3HD2 LEU 7 3HD2 LEU 7 1.131 -2.574 -4.289 73 H ASN 8 H ASN 8 1.666 -0.086 -7.799 74 HA ASN 8 HA ASN 8 3.073 2.472 -7.905 75 1HB ASN 8 2HB ASN 8 2.152 0.677 -10.159 76 2HB ASN 8 1HB ASN 8 3.159 2.111 -10.325 77 1HD2 ASN 8 1HD2 ASN 8 5.240 1.749 -10.470 78 2HD2 ASN 8 2HD2 ASN 8 6.081 0.372 -9.854 79 H GLY 9 H GLY 9 1.776 4.187 -7.540 80 1HA GLY 9 2HA GLY 9 -0.854 4.208 -8.886 81 2HA GLY 9 1HA GLY 9 -0.491 5.094 -7.413 82 H LYS 10 H LYS 10 -1.508 6.791 -8.859 83 HA LYS 10 HA LYS 10 0.122 7.847 -10.963 84 1HB LYS 10 2HB LYS 10 -2.242 9.040 -9.512 85 2HB LYS 10 1HB LYS 10 -1.501 9.722 -10.953 86 1HG LYS 10 2HG LYS 10 -2.059 7.628 -12.162 87 2HG LYS 10 1HG LYS 10 -2.922 7.078 -10.727 88 1HD LYS 10 2HD LYS 10 -3.547 9.611 -12.244 89 2HD LYS 10 1HD LYS 10 -4.398 8.080 -12.455 90 1HE LYS 10 2HE LYS 10 -5.722 9.387 -10.993 91 2HE LYS 10 1HE LYS 10 -4.932 8.169 -9.997 92 1HZ LYS 10 1HZ LYS 10 -4.934 10.856 -9.550 93 2HZ LYS 10 2HZ LYS 10 -3.397 10.575 -10.196 94 3HZ LYS 10 3HZ LYS 10 -3.903 9.730 -8.820 95 H THR 11 H THR 11 -0.796 9.065 -7.735 96 HA THR 11 HA THR 11 1.545 10.827 -7.778 97 HB THR 11 HB THR 11 0.235 11.831 -5.764 98 HG1 THR 11 1HG THR 11 -1.280 9.962 -5.910 99 1HG2 THR 11 1HG2 THR 11 0.219 13.342 -7.441 100 2HG2 THR 11 2HG2 THR 11 -1.476 12.860 -7.518 101 3HG2 THR 11 3HG2 THR 11 -0.310 12.166 -8.644 102 H LEU 12 H LEU 12 0.886 7.842 -6.801 103 HA LEU 12 HA LEU 12 2.637 8.074 -4.473 104 1HB LEU 12 2HB LEU 12 0.382 7.958 -3.586 105 2HB LEU 12 1HB LEU 12 0.041 6.539 -4.552 106 HG LEU 12 HG LEU 12 1.510 5.191 -3.239 107 1HD1 LEU 12 1HD1 LEU 12 2.428 6.640 -1.122 108 2HD1 LEU 12 2HD1 LEU 12 2.596 7.787 -2.450 109 3HD1 LEU 12 3HD1 LEU 12 3.377 6.216 -2.546 110 1HD2 LEU 12 1HD2 LEU 12 0.061 4.957 -1.564 111 2HD2 LEU 12 2HD2 LEU 12 -0.786 6.337 -2.263 112 3HD2 LEU 12 3HD2 LEU 12 0.369 6.584 -0.956 113 H LYS 13 H LYS 13 4.096 6.476 -4.259 114 HA LYS 13 HA LYS 13 3.876 4.063 -5.884 115 1HB LYS 13 2HB LYS 13 6.266 5.913 -6.038 116 2HB LYS 13 1HB LYS 13 6.129 4.344 -6.819 117 1HG LYS 13 2HG LYS 13 4.298 5.168 -8.193 118 2HG LYS 13 1HG LYS 13 4.392 6.736 -7.390 119 1HD LYS 13 2HD LYS 13 6.677 7.022 -8.225 120 2HD LYS 13 1HD LYS 13 6.578 5.454 -9.029 121 1HE LYS 13 2HE LYS 13 4.730 6.275 -10.402 122 2HE LYS 13 1HE LYS 13 4.818 7.839 -9.591 123 1HZ LYS 13 1HZ LYS 13 6.588 6.686 -11.604 124 2HZ LYS 13 2HZ LYS 13 7.308 7.647 -10.413 125 3HZ LYS 13 3HZ LYS 13 6.088 8.288 -11.394 126 H GLY 14 H GLY 14 5.011 2.304 -5.028 127 1HA GLY 14 2HA GLY 14 7.020 2.514 -3.062 128 2HA GLY 14 1HA GLY 14 5.468 2.334 -2.262 129 H GLU 15 H GLU 15 6.645 0.406 -1.449 130 HA GLU 15 HA GLU 15 5.836 -1.902 -3.005 131 1HB GLU 15 2HB GLU 15 8.690 -1.580 -2.063 132 2HB GLU 15 1HB GLU 15 8.011 -3.019 -2.811 133 1HG GLU 15 2HG GLU 15 7.620 -1.763 -4.868 134 2HG GLU 15 1HG GLU 15 8.304 -0.323 -4.119 135 H THR 16 H THR 16 5.370 -3.655 -1.837 136 HA THR 16 HA THR 16 5.843 -3.543 1.045 137 HB THR 16 HB THR 16 3.648 -2.663 0.808 138 HG1 THR 16 1HG THR 16 4.024 -4.390 2.322 139 1HG2 THR 16 1HG2 THR 16 2.801 -3.154 -1.266 140 2HG2 THR 16 2HG2 THR 16 1.859 -4.223 -0.225 141 3HG2 THR 16 3HG2 THR 16 3.224 -4.858 -1.138 142 H THR 17 H THR 17 5.208 -5.687 2.085 143 HA THR 17 HA THR 17 5.574 -7.941 0.263 144 HB THR 17 HB THR 17 7.359 -8.884 1.701 145 HG1 THR 17 1HG THR 17 7.229 -6.337 2.935 146 1HG2 THR 17 1HG2 THR 17 7.674 -7.024 -0.259 147 2HG2 THR 17 2HG2 THR 17 8.977 -7.930 0.508 148 3HG2 THR 17 3HG2 THR 17 8.574 -6.311 1.078 149 H THR 18 H THR 18 4.122 -9.402 0.666 150 HA THR 18 HA THR 18 3.069 -9.741 3.412 151 HB THR 18 HB THR 18 1.412 -9.076 1.671 152 HG1 THR 18 1HG THR 18 0.818 -10.401 3.462 153 1HG2 THR 18 1HG2 THR 18 0.662 -10.872 0.092 154 2HG2 THR 18 2HG2 THR 18 2.198 -11.680 0.408 155 3HG2 THR 18 3HG2 THR 18 2.181 -10.076 -0.322 156 H GLU 19 H GLU 19 2.983 -11.822 4.289 157 HA GLU 19 HA GLU 19 4.601 -13.833 2.865 158 1HB GLU 19 2HB GLU 19 5.507 -13.112 5.028 159 2HB GLU 19 1HB GLU 19 4.002 -13.555 5.820 160 1HG GLU 19 2HG GLU 19 4.374 -15.893 5.227 161 2HG GLU 19 1HG GLU 19 5.881 -15.450 4.426 162 H ALA 20 H ALA 20 3.412 -15.368 1.888 163 HA ALA 20 HA ALA 20 1.240 -16.609 3.387 164 1HB ALA 20 1HB ALA 20 0.776 -15.667 0.568 165 2HB ALA 20 2HB ALA 20 0.275 -14.760 1.994 166 3HB ALA 20 3HB ALA 20 -0.395 -16.361 1.688 167 H VAL 21 H VAL 21 0.645 -18.657 2.668 168 HA VAL 21 HA VAL 21 2.652 -20.391 1.965 169 HB VAL 21 HB VAL 21 -0.238 -20.883 1.267 170 1HG1 VAL 21 1HG1 VAL 21 0.235 -23.145 1.379 171 2HG1 VAL 21 2HG1 VAL 21 1.699 -22.896 2.332 172 3HG1 VAL 21 3HG1 VAL 21 1.683 -22.487 0.617 173 1HG2 VAL 21 1HG2 VAL 21 -0.473 -20.190 3.451 174 2HG2 VAL 21 2HG2 VAL 21 1.123 -20.780 3.923 175 3HG2 VAL 21 3HG2 VAL 21 -0.194 -21.921 3.659 176 H ASP 22 H ASP 22 0.430 -18.718 -0.180 177 HA ASP 22 HA ASP 22 2.155 -19.425 -2.431 178 1HB ASP 22 2HB ASP 22 0.062 -19.824 -3.843 179 2HB ASP 22 1HB ASP 22 0.525 -21.099 -2.721 180 H ALA 23 H ALA 23 1.576 -18.143 -4.430 181 HA ALA 23 HA ALA 23 1.671 -15.423 -3.863 182 1HB ALA 23 1HB ALA 23 1.452 -17.076 -6.271 183 2HB ALA 23 2HB ALA 23 2.467 -15.672 -5.947 184 3HB ALA 23 3HB ALA 23 0.788 -15.450 -6.438 185 H ALA 24 H ALA 24 -1.065 -17.452 -4.786 186 HA ALA 24 HA ALA 24 -2.945 -15.362 -5.031 187 1HB ALA 24 1HB ALA 24 -3.912 -17.196 -5.922 188 2HB ALA 24 2HB ALA 24 -4.482 -17.473 -4.276 189 3HB ALA 24 3HB ALA 24 -3.037 -18.298 -4.860 190 H THR 25 H THR 25 -2.327 -17.616 -2.317 191 HA THR 25 HA THR 25 -4.072 -16.475 -0.495 192 HB THR 25 HB THR 25 -2.427 -17.352 1.243 193 HG1 THR 25 1HG THR 25 -0.576 -17.159 -0.123 194 1HG2 THR 25 1HG2 THR 25 -4.225 -18.776 0.547 195 2HG2 THR 25 2HG2 THR 25 -2.742 -19.722 0.676 196 3HG2 THR 25 3HG2 THR 25 -3.341 -19.235 -0.909 197 H ALA 26 H ALA 26 -0.718 -15.645 -1.271 198 HA ALA 26 HA ALA 26 -0.419 -13.577 0.616 199 1HB ALA 26 1HB ALA 26 1.185 -12.759 -1.404 200 2HB ALA 26 2HB ALA 26 0.985 -14.460 -1.822 201 3HB ALA 26 3HB ALA 26 1.628 -14.010 -0.243 202 H GLU 27 H GLU 27 -1.366 -13.513 -2.827 203 HA GLU 27 HA GLU 27 -1.825 -10.806 -3.094 204 1HB GLU 27 2HB GLU 27 -1.801 -12.367 -4.975 205 2HB GLU 27 1HB GLU 27 -3.286 -13.107 -4.395 206 1HG GLU 27 2HG GLU 27 -4.480 -11.014 -4.766 207 2HG GLU 27 1HG GLU 27 -2.992 -10.262 -5.335 208 H LYS 28 H LYS 28 -4.108 -13.361 -2.112 209 HA LYS 28 HA LYS 28 -6.358 -11.729 -1.798 210 1HB LYS 28 2HB LYS 28 -5.605 -14.251 -0.308 211 2HB LYS 28 1HB LYS 28 -7.204 -13.518 -0.298 212 1HG LYS 28 2HG LYS 28 -5.773 -14.683 -2.677 213 2HG LYS 28 1HG LYS 28 -7.171 -15.360 -1.840 214 1HD LYS 28 2HD LYS 28 -8.497 -13.407 -2.484 215 2HD LYS 28 1HD LYS 28 -7.098 -12.732 -3.321 216 1HE LYS 28 2HE LYS 28 -7.070 -14.656 -4.828 217 2HE LYS 28 1HE LYS 28 -8.462 -15.339 -3.990 218 1HZ LYS 28 1HZ LYS 28 -9.872 -13.788 -4.873 219 2HZ LYS 28 2HZ LYS 28 -8.780 -13.960 -6.153 220 3HZ LYS 28 3HZ LYS 28 -8.658 -12.632 -5.112 221 H VAL 29 H VAL 29 -3.727 -12.517 0.400 222 HA VAL 29 HA VAL 29 -4.771 -11.350 2.725 223 HB VAL 29 HB VAL 29 -1.884 -11.598 1.852 224 1HG1 VAL 29 1HG1 VAL 29 -3.065 -11.009 4.561 225 2HG1 VAL 29 2HG1 VAL 29 -2.048 -9.945 3.591 226 3HG1 VAL 29 3HG1 VAL 29 -1.377 -11.426 4.271 227 1HG2 VAL 29 1HG2 VAL 29 -3.683 -13.603 2.405 228 2HG2 VAL 29 2HG2 VAL 29 -2.859 -13.374 3.947 229 3HG2 VAL 29 3HG2 VAL 29 -1.926 -13.738 2.495 230 H VAL 30 H VAL 30 -3.036 -10.005 -0.012 231 HA VAL 30 HA VAL 30 -2.601 -7.426 1.076 232 HB VAL 30 HB VAL 30 -2.987 -8.062 -1.846 233 1HG1 VAL 30 1HG1 VAL 30 -1.830 -6.113 -2.302 234 2HG1 VAL 30 2HG1 VAL 30 -1.055 -6.082 -0.719 235 3HG1 VAL 30 3HG1 VAL 30 -2.759 -5.658 -0.874 236 1HG2 VAL 30 1HG2 VAL 30 -0.331 -8.167 -1.594 237 2HG2 VAL 30 2HG2 VAL 30 -1.357 -9.596 -1.462 238 3HG2 VAL 30 3HG2 VAL 30 -0.784 -8.784 -0.005 239 H LYS 31 H LYS 31 -5.175 -8.775 -1.034 240 HA LYS 31 HA LYS 31 -6.712 -6.531 -1.425 241 1HB LYS 31 2HB LYS 31 -7.474 -9.410 -1.054 242 2HB LYS 31 1HB LYS 31 -8.717 -8.181 -1.255 243 1HG LYS 31 2HG LYS 31 -8.192 -9.261 -3.365 244 2HG LYS 31 1HG LYS 31 -7.764 -7.551 -3.405 245 1HD LYS 31 2HD LYS 31 -5.424 -8.167 -2.916 246 2HD LYS 31 1HD LYS 31 -5.886 -9.867 -2.989 247 1HE LYS 31 2HE LYS 31 -6.145 -7.879 -5.240 248 2HE LYS 31 1HE LYS 31 -4.881 -9.099 -5.093 249 1HZ LYS 31 1HZ LYS 31 -7.789 -9.662 -5.324 250 2HZ LYS 31 2HZ LYS 31 -6.558 -10.818 -5.229 251 3HZ LYS 31 3HZ LYS 31 -6.662 -9.804 -6.579 252 H GLN 32 H GLN 32 -6.666 -8.676 1.366 253 HA GLN 32 HA GLN 32 -8.689 -7.314 2.821 254 1HB GLN 32 2HB GLN 32 -8.100 -9.583 3.413 255 2HB GLN 32 1HB GLN 32 -6.441 -9.123 3.740 256 1HG GLN 32 2HG GLN 32 -8.758 -8.007 5.285 257 2HG GLN 32 1HG GLN 32 -7.971 -9.515 5.726 258 1HE2 GLN 32 1HE2 GLN 32 -5.409 -7.985 4.620 259 2HE2 GLN 32 2HE2 GLN 32 -4.914 -7.099 6.012 260 H PHE 33 H PHE 33 -5.225 -7.000 2.531 261 HA PHE 33 HA PHE 33 -4.654 -5.221 4.589 262 1HB PHE 33 2HB PHE 33 -3.009 -6.396 3.093 263 2HB PHE 33 1HB PHE 33 -3.415 -5.252 1.823 264 HD1 PHE 33 1HD PHE 33 -2.111 -5.436 5.288 265 HD2 PHE 33 2HD PHE 33 -2.226 -3.261 1.620 266 HE1 PHE 33 1HE PHE 33 -0.369 -3.914 6.125 267 HE2 PHE 33 2HE PHE 33 -0.484 -1.744 2.469 268 HZ PHE 33 HZ PHE 33 0.444 -2.082 4.728 269 H PHE 34 H PHE 34 -5.318 -4.455 1.185 270 HA PHE 34 HA PHE 34 -5.616 -1.651 1.670 271 1HB PHE 34 2HB PHE 34 -6.323 -3.312 -0.750 272 2HB PHE 34 1HB PHE 34 -6.311 -1.547 -0.697 273 HD1 PHE 34 1HD PHE 34 -3.980 -0.853 0.759 274 HD2 PHE 34 2HD PHE 34 -4.522 -4.028 -2.014 275 HE1 PHE 34 1HE PHE 34 -1.568 -0.862 0.309 276 HE2 PHE 34 2HE PHE 34 -2.105 -4.038 -2.480 277 HZ PHE 34 HZ PHE 34 -0.634 -2.453 -1.304 278 H ASN 35 H ASN 35 -7.870 -4.320 1.170 279 HA ASN 35 HA ASN 35 -10.273 -2.973 0.999 280 1HB ASN 35 2HB ASN 35 -10.129 -5.403 0.834 281 2HB ASN 35 1HB ASN 35 -9.636 -5.517 2.519 282 1HD2 ASN 35 1HD2 ASN 35 -12.058 -6.253 0.687 283 2HD2 ASN 35 2HD2 ASN 35 -13.406 -5.904 1.706 284 H ASP 36 H ASP 36 -8.292 -3.688 3.778 285 HA ASP 36 HA ASP 36 -10.149 -2.356 5.592 286 1HB ASP 36 2HB ASP 36 -7.616 -3.908 6.139 287 2HB ASP 36 1HB ASP 36 -8.630 -3.186 7.384 288 H ASN 37 H ASN 37 -7.098 -1.695 4.010 289 HA ASN 37 HA ASN 37 -6.399 0.423 5.852 290 1HB ASN 37 2HB ASN 37 -5.313 -0.301 3.118 291 2HB ASN 37 1HB ASN 37 -4.712 1.047 4.075 292 1HD2 ASN 37 1HD2 ASN 37 -3.598 -1.620 3.107 293 2HD2 ASN 37 2HD2 ASN 37 -2.873 -2.291 4.525 294 H GLY 38 H GLY 38 -7.681 0.117 2.602 295 1HA GLY 38 2HA GLY 38 -8.150 2.094 1.239 296 2HA GLY 38 1HA GLY 38 -9.601 1.462 1.981 297 H VAL 39 H VAL 39 -10.874 2.955 2.683 298 HA VAL 39 HA VAL 39 -9.883 5.620 3.138 299 HB VAL 39 HB VAL 39 -12.700 4.573 3.116 300 1HG1 VAL 39 1HG1 VAL 39 -13.095 6.536 4.169 301 2HG1 VAL 39 2HG1 VAL 39 -12.938 7.189 2.539 302 3HG1 VAL 39 3HG1 VAL 39 -11.567 7.247 3.647 303 1HG2 VAL 39 1HG2 VAL 39 -10.930 5.783 1.022 304 2HG2 VAL 39 2HG2 VAL 39 -12.689 5.837 0.894 305 3HG2 VAL 39 3HG2 VAL 39 -11.855 4.283 0.960 306 H ASP 40 H ASP 40 -11.660 3.271 5.220 307 HA ASP 40 HA ASP 40 -11.446 5.234 7.367 308 1HB ASP 40 2HB ASP 40 -13.010 2.659 7.193 309 2HB ASP 40 1HB ASP 40 -13.015 3.747 8.578 310 H GLY 41 H GLY 41 -9.079 3.660 6.498 311 1HA GLY 41 2HA GLY 41 -8.607 1.705 8.549 312 2HA GLY 41 1HA GLY 41 -7.408 2.360 7.440 313 H GLU 42 H GLU 42 -6.621 1.936 10.002 314 HA GLU 42 HA GLU 42 -6.887 4.442 11.473 315 1HB GLU 42 2HB GLU 42 -5.376 1.910 12.160 316 2HB GLU 42 1HB GLU 42 -5.603 3.288 13.230 317 1HG GLU 42 2HG GLU 42 -8.010 2.909 13.221 318 2HG GLU 42 1HG GLU 42 -7.793 1.538 12.133 319 H TRP 43 H TRP 43 -5.717 5.966 10.330 320 HA TRP 43 HA TRP 43 -2.963 5.340 9.592 321 1HB TRP 43 2HB TRP 43 -4.638 7.780 8.995 322 2HB TRP 43 1HB TRP 43 -3.033 7.455 8.353 323 HD1 TRP 43 HD TRP 43 -6.041 5.019 8.479 324 HE1 TRP 43 1HE TRP 43 -6.548 4.271 6.067 325 HE3 TRP 43 3HE TRP 43 -2.628 7.896 6.026 326 HZ2 TRP 43 2HZ TRP 43 -5.614 4.831 3.472 327 HZ3 TRP 43 3HZ TRP 43 -2.488 7.734 3.583 328 HH2 TRP 43 HH TRP 43 -3.959 6.232 2.327 329 H THR 44 H THR 44 -1.336 5.848 10.877 330 HA THR 44 HA THR 44 -1.649 8.085 12.761 331 HB THR 44 HB THR 44 0.280 7.053 13.971 332 HG1 THR 44 1HG THR 44 0.993 5.874 12.032 333 1HG2 THR 44 1HG2 THR 44 -1.216 4.699 14.151 334 2HG2 THR 44 2HG2 THR 44 -2.372 5.991 13.825 335 3HG2 THR 44 3HG2 THR 44 -1.284 6.109 15.208 336 H TYR 45 H TYR 45 -0.316 9.837 12.563 337 HA TYR 45 HA TYR 45 1.577 9.766 10.315 338 1HB TYR 45 2HB TYR 45 -0.246 11.394 10.113 339 2HB TYR 45 1HB TYR 45 0.238 12.136 11.633 340 HD1 TYR 45 1HD TYR 45 2.339 10.987 8.778 341 HD2 TYR 45 2HD TYR 45 0.934 14.283 11.070 342 HE1 TYR 45 1HE TYR 45 3.864 12.479 7.555 343 HE2 TYR 45 2HE TYR 45 2.455 15.785 9.854 344 HH TYR 45 HH TYR 45 4.757 15.417 8.556 345 H ASP 46 H ASP 46 3.659 10.484 10.500 346 HA ASP 46 HA ASP 46 4.593 11.136 13.217 347 1HB ASP 46 2HB ASP 46 5.262 8.848 12.624 348 2HB ASP 46 1HB ASP 46 6.016 9.443 11.149 349 H ASP 47 H ASP 47 4.357 13.355 12.575 350 HA ASP 47 HA ASP 47 5.398 14.648 10.405 351 1HB ASP 47 2HB ASP 47 5.422 15.631 13.267 352 2HB ASP 47 1HB ASP 47 5.608 16.649 11.841 353 H ALA 48 H ALA 48 7.144 13.491 13.223 354 HA ALA 48 HA ALA 48 9.550 14.791 12.995 355 1HB ALA 48 1HB ALA 48 8.675 12.927 14.642 356 2HB ALA 48 2HB ALA 48 10.397 13.234 14.427 357 3HB ALA 48 3HB ALA 48 9.632 11.883 13.592 358 H THR 49 H THR 49 8.363 12.123 11.033 359 HA THR 49 HA THR 49 10.758 12.418 9.344 360 HB THR 49 HB THR 49 10.644 10.002 8.850 361 HG1 THR 49 1HG THR 49 8.434 9.696 9.365 362 1HG2 THR 49 1HG2 THR 49 11.479 9.137 10.936 363 2HG2 THR 49 2HG2 THR 49 10.809 10.515 11.808 364 3HG2 THR 49 3HG2 THR 49 12.123 10.754 10.655 365 H LYS 50 H LYS 50 7.689 13.203 9.348 366 HA LYS 50 HA LYS 50 6.054 13.507 7.767 367 1HB LYS 50 2HB LYS 50 8.371 13.134 5.868 368 2HB LYS 50 1HB LYS 50 6.816 13.860 5.474 369 1HG LYS 50 2HG LYS 50 7.620 15.347 7.622 370 2HG LYS 50 1HG LYS 50 9.144 15.013 6.794 371 1HD LYS 50 2HD LYS 50 8.130 15.814 4.693 372 2HD LYS 50 1HD LYS 50 6.666 16.220 5.589 373 1HE LYS 50 2HE LYS 50 8.090 18.185 5.236 374 2HE LYS 50 1HE LYS 50 7.913 17.803 6.947 375 1HZ LYS 50 1HZ LYS 50 10.222 16.823 5.387 376 2HZ LYS 50 2HZ LYS 50 10.074 16.986 7.064 377 3HZ LYS 50 3HZ LYS 50 10.228 18.360 6.092 378 H THR 51 H THR 51 6.593 10.808 8.716 379 HA THR 51 HA THR 51 5.921 9.196 6.365 380 HB THR 51 HB THR 51 6.892 8.380 9.106 381 HG1 THR 51 1HG THR 51 8.154 8.432 6.572 382 1HG2 THR 51 1HG2 THR 51 7.343 6.282 7.389 383 2HG2 THR 51 2HG2 THR 51 5.702 6.797 6.999 384 3HG2 THR 51 3HG2 THR 51 6.118 6.355 8.655 385 H PHE 52 H PHE 52 4.141 7.778 6.374 386 HA PHE 52 HA PHE 52 2.158 8.314 8.486 387 1HB PHE 52 2HB PHE 52 1.601 7.850 5.558 388 2HB PHE 52 1HB PHE 52 0.394 8.095 6.815 389 HD1 PHE 52 1HD PHE 52 -0.370 10.229 7.282 390 HD2 PHE 52 2HD PHE 52 3.310 9.742 5.203 391 HE1 PHE 52 1HE PHE 52 -0.270 12.658 6.899 392 HE2 PHE 52 2HE PHE 52 3.419 12.169 4.819 393 HZ PHE 52 HZ PHE 52 1.627 13.629 5.666 394 H THR 53 H THR 53 2.457 6.550 9.653 395 HA THR 53 HA THR 53 2.601 3.907 8.511 396 HB THR 53 HB THR 53 2.287 3.229 11.010 397 HG1 THR 53 1HG THR 53 3.151 5.887 11.382 398 1HG2 THR 53 1HG2 THR 53 4.668 4.463 9.745 399 2HG2 THR 53 2HG2 THR 53 4.389 2.801 10.271 400 3HG2 THR 53 3HG2 THR 53 4.718 4.063 11.462 401 H VAL 54 H VAL 54 1.015 2.631 7.975 402 HA VAL 54 HA VAL 54 -1.692 3.219 8.980 403 HB VAL 54 HB VAL 54 -0.920 1.893 6.369 404 1HG1 VAL 54 1HG1 VAL 54 -3.480 2.206 7.807 405 2HG1 VAL 54 2HG1 VAL 54 -2.966 0.976 6.651 406 3HG1 VAL 54 3HG1 VAL 54 -3.510 2.554 6.078 407 1HG2 VAL 54 1HG2 VAL 54 -0.418 4.181 6.141 408 2HG2 VAL 54 2HG2 VAL 54 -1.858 4.670 7.034 409 3HG2 VAL 54 3HG2 VAL 54 -2.014 3.982 5.418 410 H THR 55 H THR 55 -2.246 1.815 10.510 411 HA THR 55 HA THR 55 -1.212 -0.920 10.366 412 HB THR 55 HB THR 55 -2.590 0.430 12.688 413 HG1 THR 55 1HG THR 55 -0.465 0.660 13.497 414 1HG2 THR 55 1HG2 THR 55 -2.684 -1.922 12.978 415 2HG2 THR 55 2HG2 THR 55 -1.381 -1.316 13.999 416 3HG2 THR 55 3HG2 THR 55 -1.006 -2.114 12.471 417 H GLU 56 H GLU 56 -2.475 -2.417 9.502 418 HA GLU 56 HA GLU 56 -5.302 -1.969 9.180 419 1HB GLU 56 2HB GLU 56 -3.813 -3.093 7.477 420 2HB GLU 56 1HB GLU 56 -3.743 -4.480 8.555 421 1HG GLU 56 2HG GLU 56 -6.262 -3.344 7.365 422 2HG GLU 56 1HG GLU 56 -5.384 -4.736 6.737 423 1H MET 1 1HT MET 1 5.190 17.535 -1.282 424 2H MET 1 2HT MET 1 5.860 18.911 -1.996 425 3H MET 1 3HT MET 1 5.815 18.773 -0.313 426 HA MET 1 HA MET 1 7.773 17.894 -2.138 427 1HB MET 1 2HB MET 1 9.048 17.582 -0.025 428 2HB MET 1 1HB MET 1 8.278 19.145 -0.165 429 1HG MET 1 2HG MET 1 7.764 18.717 1.972 430 2HG MET 1 1HG MET 1 6.394 17.913 1.223 431 1HE MET 1 1HE MET 1 9.745 17.115 3.488 432 2HE MET 1 2HE MET 1 10.064 17.389 1.776 433 3HE MET 1 3HE MET 1 10.233 15.770 2.456 434 H GLN 2 H GLN 2 9.010 15.822 -0.543 435 HA GLN 2 HA GLN 2 7.424 13.576 -1.540 436 1HB GLN 2 2HB GLN 2 9.739 13.727 -2.315 437 2HB GLN 2 1HB GLN 2 10.313 13.699 -0.653 438 1HG GLN 2 2HG GLN 2 9.408 11.446 -0.381 439 2HG GLN 2 1HG GLN 2 8.836 11.476 -2.046 440 1HE2 GLN 2 1HE2 GLN 2 11.689 13.123 -2.062 441 2HE2 GLN 2 2HE2 GLN 2 12.760 11.830 -2.452 442 H TYR 3 H TYR 3 6.366 12.251 -0.228 443 HA TYR 3 HA TYR 3 7.120 12.208 2.619 444 1HB TYR 3 2HB TYR 3 4.330 12.006 1.459 445 2HB TYR 3 1HB TYR 3 4.744 11.928 3.170 446 HD1 TYR 3 1HD TYR 3 4.313 13.854 4.366 447 HD2 TYR 3 2HD TYR 3 5.458 14.206 0.278 448 HE1 TYR 3 1HE TYR 3 4.127 16.300 4.525 449 HE2 TYR 3 2HE TYR 3 5.300 16.656 0.432 450 HH TYR 3 HH TYR 3 3.990 18.230 3.283 451 H LYS 4 H LYS 4 7.037 10.219 3.676 452 HA LYS 4 HA LYS 4 6.846 7.902 1.866 453 1HB LYS 4 2HB LYS 4 9.081 8.252 2.788 454 2HB LYS 4 1HB LYS 4 8.429 8.223 4.421 455 1HG LYS 4 2HG LYS 4 7.737 5.892 4.092 456 2HG LYS 4 1HG LYS 4 8.437 5.926 2.473 457 1HD LYS 4 2HD LYS 4 9.943 6.368 5.051 458 2HD LYS 4 1HD LYS 4 9.950 4.884 4.098 459 1HE LYS 4 2HE LYS 4 10.917 7.586 3.171 460 2HE LYS 4 1HE LYS 4 11.941 6.239 3.670 461 1HZ LYS 4 1HZ LYS 4 11.831 6.257 1.308 462 2HZ LYS 4 2HZ LYS 4 10.143 6.341 1.314 463 3HZ LYS 4 3HZ LYS 4 10.918 4.935 1.840 464 H VAL 5 H VAL 5 4.908 6.962 2.084 465 HA VAL 5 HA VAL 5 3.675 6.847 4.730 466 HB VAL 5 HB VAL 5 2.572 6.074 2.026 467 1HG1 VAL 5 1HG1 VAL 5 1.213 6.134 4.716 468 2HG1 VAL 5 2HG1 VAL 5 1.568 4.700 3.753 469 3HG1 VAL 5 3HG1 VAL 5 0.404 5.889 3.169 470 1HG2 VAL 5 1HG2 VAL 5 2.851 8.585 3.296 471 2HG2 VAL 5 2HG2 VAL 5 1.137 8.168 3.304 472 3HG2 VAL 5 3HG2 VAL 5 2.028 8.206 1.783 473 H ILE 6 H ILE 6 4.029 5.190 5.979 474 HA ILE 6 HA ILE 6 4.982 2.671 4.836 475 HB ILE 6 HB ILE 6 4.828 3.495 7.741 476 1HG1 ILE 6 2HG1 ILE 6 7.203 3.371 5.873 477 2HG1 ILE 6 1HG1 ILE 6 6.407 4.849 6.393 478 1HG2 ILE 6 1HG2 ILE 6 6.563 1.300 6.716 479 2HG2 ILE 6 2HG2 ILE 6 4.850 0.979 6.979 480 3HG2 ILE 6 3HG2 ILE 6 5.858 1.526 8.316 481 1HD1 ILE 6 1HD1 ILE 6 7.072 4.453 8.673 482 2HD1 ILE 6 2HD1 ILE 6 8.485 4.372 7.621 483 3HD1 ILE 6 3HD1 ILE 6 7.755 2.888 8.233 484 H LEU 7 H LEU 7 3.794 0.902 4.710 485 HA LEU 7 HA LEU 7 1.096 0.960 5.879 486 1HB LEU 7 2HB LEU 7 1.987 -0.877 3.675 487 2HB LEU 7 1HB LEU 7 0.363 -0.335 4.065 488 HG LEU 7 HG LEU 7 2.540 1.321 2.805 489 1HD1 LEU 7 1HD1 LEU 7 1.430 -0.349 1.348 490 2HD1 LEU 7 2HD1 LEU 7 1.148 1.320 0.853 491 3HD1 LEU 7 3HD1 LEU 7 -0.115 0.424 1.700 492 1HD2 LEU 7 1HD2 LEU 7 -0.290 2.118 3.472 493 2HD2 LEU 7 2HD2 LEU 7 0.950 3.123 2.721 494 3HD2 LEU 7 3HD2 LEU 7 1.132 2.599 4.395 495 H ASN 8 H ASN 8 1.558 0.100 7.912 496 HA ASN 8 HA ASN 8 2.900 -2.492 8.036 497 1HB ASN 8 2HB ASN 8 1.990 -0.676 10.277 498 2HB ASN 8 1HB ASN 8 2.961 -2.134 10.458 499 1HD2 ASN 8 1HD2 ASN 8 5.048 -1.822 10.633 500 2HD2 ASN 8 2HD2 ASN 8 5.931 -0.465 10.029 501 H GLY 9 H GLY 9 1.567 -4.175 7.653 502 1HA GLY 9 2HA GLY 9 -1.082 -4.132 8.961 503 2HA GLY 9 1HA GLY 9 -0.719 -5.026 7.495 504 H LYS 10 H LYS 10 -1.796 -6.697 8.925 505 HA LYS 10 HA LYS 10 -0.223 -7.794 11.052 506 1HB LYS 10 2HB LYS 10 -2.595 -8.928 9.568 507 2HB LYS 10 1HB LYS 10 -1.891 -9.628 11.019 508 1HG LYS 10 2HG LYS 10 -2.415 -7.521 12.221 509 2HG LYS 10 1HG LYS 10 -3.244 -6.951 10.772 510 1HD LYS 10 2HD LYS 10 -3.952 -9.467 12.280 511 2HD LYS 10 1HD LYS 10 -4.768 -7.916 12.481 512 1HE LYS 10 2HE LYS 10 -6.102 -9.190 10.999 513 2HE LYS 10 1HE LYS 10 -5.270 -7.991 10.014 514 1HZ LYS 10 1HZ LYS 10 -5.330 -10.678 9.566 515 2HZ LYS 10 2HZ LYS 10 -3.797 -10.434 10.234 516 3HZ LYS 10 3HZ LYS 10 -4.264 -9.578 8.851 517 H THR 11 H THR 11 -1.125 -8.990 7.811 518 HA THR 11 HA THR 11 1.171 -10.807 7.887 519 HB THR 11 HB THR 11 -0.135 -11.780 5.854 520 HG1 THR 11 1HG THR 11 -1.605 -9.874 5.979 521 1HG2 THR 11 1HG2 THR 11 -0.210 -13.289 7.530 522 2HG2 THR 11 2HG2 THR 11 -1.893 -12.766 7.583 523 3HG2 THR 11 3HG2 THR 11 -0.727 -12.101 8.725 524 H LEU 12 H LEU 12 0.599 -7.807 6.901 525 HA LEU 12 HA LEU 12 2.375 -8.083 4.598 526 1HB LEU 12 2HB LEU 12 0.138 -7.913 3.678 527 2HB LEU 12 1HB LEU 12 -0.182 -6.484 4.641 528 HG LEU 12 HG LEU 12 1.337 -5.174 3.348 529 1HD1 LEU 12 1HD1 LEU 12 2.251 -6.645 1.244 530 2HD1 LEU 12 2HD1 LEU 12 2.370 -7.795 2.575 531 3HD1 LEU 12 3HD1 LEU 12 3.189 -6.244 2.681 532 1HD2 LEU 12 1HD2 LEU 12 -0.083 -4.905 1.653 533 2HD2 LEU 12 2HD2 LEU 12 -0.971 -6.263 2.340 534 3HD2 LEU 12 3HD2 LEU 12 0.196 -6.538 1.048 535 H LYS 13 H LYS 13 3.878 -6.520 4.404 536 HA LYS 13 HA LYS 13 3.692 -4.103 6.026 537 1HB LYS 13 2HB LYS 13 6.035 -6.011 6.215 538 2HB LYS 13 1HB LYS 13 5.924 -4.437 6.994 539 1HG LYS 13 2HG LYS 13 4.055 -5.217 8.342 540 2HG LYS 13 1HG LYS 13 4.123 -6.788 7.539 541 1HD LYS 13 2HD LYS 13 6.388 -7.128 8.406 542 2HD LYS 13 1HD LYS 13 6.316 -5.558 9.209 543 1HE LYS 13 2HE LYS 13 4.428 -6.335 10.555 544 2HE LYS 13 1HE LYS 13 4.490 -7.899 9.746 545 1HZ LYS 13 1HZ LYS 13 6.260 -6.790 11.785 546 2HZ LYS 13 2HZ LYS 13 6.972 -7.768 10.603 547 3HZ LYS 13 3HZ LYS 13 5.723 -8.378 11.567 548 H GLY 14 H GLY 14 4.883 -2.371 5.188 549 1HA GLY 14 2HA GLY 14 6.913 -2.631 3.251 550 2HA GLY 14 1HA GLY 14 5.378 -2.414 2.428 551 H GLU 15 H GLU 15 6.612 -0.514 1.633 552 HA GLU 15 HA GLU 15 5.838 1.812 3.178 553 1HB GLU 15 2HB GLU 15 8.696 1.422 2.276 554 2HB GLU 15 1HB GLU 15 8.041 2.877 3.014 555 1HG GLU 15 2HG GLU 15 7.590 1.631 5.066 556 2HG GLU 15 1HG GLU 15 8.249 0.175 4.325 557 H THR 16 H THR 16 5.430 3.576 2.002 558 HA THR 16 HA THR 16 5.940 3.453 -0.872 559 HB THR 16 HB THR 16 3.723 2.626 -0.666 560 HG1 THR 16 1HG THR 16 4.162 4.344 -2.174 561 1HG2 THR 16 1HG2 THR 16 2.859 3.137 1.394 562 2HG2 THR 16 2HG2 THR 16 1.958 4.230 0.342 563 3HG2 THR 16 3HG2 THR 16 3.325 4.832 1.274 564 H THR 17 H THR 17 5.373 5.611 -1.920 565 HA THR 17 HA THR 17 5.768 7.856 -0.095 566 HB THR 17 HB THR 17 7.596 8.755 -1.507 567 HG1 THR 17 1HG THR 17 7.423 6.212 -2.742 568 1HG2 THR 17 1HG2 THR 17 7.837 6.888 0.458 569 2HG2 THR 17 2HG2 THR 17 9.173 7.762 -0.291 570 3HG2 THR 17 3HG2 THR 17 8.739 6.152 -0.867 571 H THR 18 H THR 18 4.359 9.351 -0.516 572 HA THR 18 HA THR 18 3.352 9.716 -3.277 573 HB THR 18 HB THR 18 1.655 9.090 -1.559 574 HG1 THR 18 1HG THR 18 1.119 10.431 -3.359 575 1HG2 THR 18 1HG2 THR 18 0.928 10.905 0.010 576 2HG2 THR 18 2HG2 THR 18 2.487 11.676 -0.285 577 3HG2 THR 18 3HG2 THR 18 2.421 10.072 0.445 578 H GLU 19 H GLU 19 3.330 11.797 -4.155 579 HA GLU 19 HA GLU 19 4.975 13.769 -2.709 580 1HB GLU 19 2HB GLU 19 5.895 13.026 -4.857 581 2HB GLU 19 1HB GLU 19 4.412 13.505 -5.671 582 1HG GLU 19 2HG GLU 19 4.833 15.834 -5.071 583 2HG GLU 19 1HG GLU 19 6.317 15.353 -4.252 584 H ALA 20 H ALA 20 3.810 15.332 -1.748 585 HA ALA 20 HA ALA 20 1.691 16.625 -3.276 586 1HB ALA 20 1HB ALA 20 1.165 15.697 -0.464 587 2HB ALA 20 2HB ALA 20 0.662 14.803 -1.899 588 3HB ALA 20 3HB ALA 20 0.026 16.419 -1.601 589 H VAL 21 H VAL 21 1.136 18.689 -2.567 590 HA VAL 21 HA VAL 21 3.174 20.374 -1.835 591 HB VAL 21 HB VAL 21 0.287 20.936 -1.177 592 1HG1 VAL 21 1HG1 VAL 21 0.817 23.185 -1.282 593 2HG1 VAL 21 2HG1 VAL 21 2.287 22.901 -2.215 594 3HG1 VAL 21 3HG1 VAL 21 2.238 22.492 -0.501 595 1HG2 VAL 21 1HG2 VAL 21 0.068 20.249 -3.364 596 2HG2 VAL 21 2HG2 VAL 21 1.683 20.798 -3.813 597 3HG2 VAL 21 3HG2 VAL 21 0.390 21.972 -3.567 598 H ASP 22 H ASP 22 0.882 18.756 0.278 599 HA ASP 22 HA ASP 22 2.592 19.420 2.554 600 1HB ASP 22 2HB ASP 22 0.489 19.869 3.936 601 2HB ASP 22 1HB ASP 22 0.998 21.133 2.821 602 H ALA 23 H ALA 23 1.954 18.152 4.544 603 HA ALA 23 HA ALA 23 1.990 15.430 3.978 604 1HB ALA 23 1HB ALA 23 1.778 17.088 6.384 605 2HB ALA 23 2HB ALA 23 2.762 15.660 6.074 606 3HB ALA 23 3HB ALA 23 1.071 15.480 6.541 607 H ALA 24 H ALA 24 -0.708 17.526 4.864 608 HA ALA 24 HA ALA 24 -2.643 15.481 5.082 609 1HB ALA 24 1HB ALA 24 -3.576 17.339 5.958 610 2HB ALA 24 2HB ALA 24 -4.117 17.630 4.305 611 3HB ALA 24 3HB ALA 24 -2.659 18.419 4.909 612 H THR 25 H THR 25 -1.932 17.721 2.377 613 HA THR 25 HA THR 25 -3.678 16.622 0.529 614 HB THR 25 HB THR 25 -1.988 17.458 -1.184 615 HG1 THR 25 1HG THR 25 -0.162 17.220 0.207 616 1HG2 THR 25 1HG2 THR 25 -3.759 18.926 -0.514 617 2HG2 THR 25 2HG2 THR 25 -2.252 19.837 -0.622 618 3HG2 THR 25 3HG2 THR 25 -2.886 19.362 0.955 619 H ALA 26 H ALA 26 -0.356 15.710 1.353 620 HA ALA 26 HA ALA 26 -0.081 13.637 -0.530 621 1HB ALA 26 1HB ALA 26 1.475 12.779 1.513 622 2HB ALA 26 2HB ALA 26 1.310 14.486 1.928 623 3HB ALA 26 3HB ALA 26 1.964 14.019 0.358 624 H GLU 27 H GLU 27 -1.077 13.596 2.898 625 HA GLU 27 HA GLU 27 -1.605 10.901 3.160 626 1HB GLU 27 2HB GLU 27 -1.570 12.460 5.040 627 2HB GLU 27 1HB GLU 27 -3.029 13.236 4.439 628 1HG GLU 27 2HG GLU 27 -4.278 11.174 4.793 629 2HG GLU 27 1HG GLU 27 -2.817 10.384 5.383 630 H LYS 28 H LYS 28 -3.811 13.508 2.146 631 HA LYS 28 HA LYS 28 -6.096 11.933 1.799 632 1HB LYS 28 2HB LYS 28 -5.261 14.437 0.321 633 2HB LYS 28 1HB LYS 28 -6.877 13.741 0.288 634 1HG LYS 28 2HG LYS 28 -5.453 14.872 2.686 635 2HG LYS 28 1HG LYS 28 -6.822 15.583 1.831 636 1HD LYS 28 2HD LYS 28 -8.203 13.663 2.455 637 2HD LYS 28 1HD LYS 28 -6.832 12.953 3.311 638 1HE LYS 28 2HE LYS 28 -6.779 14.877 4.819 639 2HE LYS 28 1HE LYS 28 -8.142 15.594 3.961 640 1HZ LYS 28 1HZ LYS 28 -9.601 14.076 4.826 641 2HZ LYS 28 2HZ LYS 28 -8.524 14.223 6.120 642 3HZ LYS 28 3HZ LYS 28 -8.420 12.892 5.081 643 H VAL 29 H VAL 29 -3.416 12.656 -0.360 644 HA VAL 29 HA VAL 29 -4.456 11.515 -2.701 645 HB VAL 29 HB VAL 29 -1.576 11.693 -1.786 646 1HG1 VAL 29 1HG1 VAL 29 -2.733 11.131 -4.513 647 2HG1 VAL 29 2HG1 VAL 29 -1.756 10.043 -3.527 648 3HG1 VAL 29 3HG1 VAL 29 -1.039 11.508 -4.199 649 1HG2 VAL 29 1HG2 VAL 29 -3.318 13.740 -2.365 650 2HG2 VAL 29 2HG2 VAL 29 -2.479 13.491 -3.895 651 3HG2 VAL 29 3HG2 VAL 29 -1.557 13.833 -2.431 652 H VAL 30 H VAL 30 -2.791 10.130 0.062 653 HA VAL 30 HA VAL 30 -2.404 7.539 -1.023 654 HB VAL 30 HB VAL 30 -2.815 8.186 1.894 655 1HG1 VAL 30 1HG1 VAL 30 -1.713 6.208 2.367 656 2HG1 VAL 30 2HG1 VAL 30 -0.916 6.159 0.795 657 3HG1 VAL 30 3HG1 VAL 30 -2.633 5.777 0.925 658 1HG2 VAL 30 1HG2 VAL 30 -0.156 8.225 1.681 659 2HG2 VAL 30 2HG2 VAL 30 -1.144 9.679 1.534 660 3HG2 VAL 30 3HG2 VAL 30 -0.571 8.853 0.086 661 H LYS 31 H LYS 31 -4.975 8.950 1.051 662 HA LYS 31 HA LYS 31 -6.571 6.745 1.421 663 1HB LYS 31 2HB LYS 31 -7.258 9.640 1.040 664 2HB LYS 31 1HB LYS 31 -8.532 8.444 1.222 665 1HG LYS 31 2HG LYS 31 -8.012 9.511 3.341 666 2HG LYS 31 1HG LYS 31 -7.625 7.789 3.386 667 1HD LYS 31 2HD LYS 31 -5.265 8.349 2.930 668 2HD LYS 31 1HD LYS 31 -5.687 10.060 2.997 669 1HE LYS 31 2HE LYS 31 -6.026 8.079 5.244 670 2HE LYS 31 1HE LYS 31 -4.731 9.268 5.114 671 1HZ LYS 31 1HZ LYS 31 -7.627 9.902 5.306 672 2HZ LYS 31 2HZ LYS 31 -6.368 11.028 5.228 673 3HZ LYS 31 3HZ LYS 31 -6.514 10.016 6.575 674 H GLN 32 H GLN 32 -6.433 8.887 -1.369 675 HA GLN 32 HA GLN 32 -8.468 7.575 -2.854 676 1HB GLN 32 2HB GLN 32 -7.815 9.828 -3.436 677 2HB GLN 32 1HB GLN 32 -6.164 9.329 -3.738 678 1HG GLN 32 2HG GLN 32 -8.486 8.269 -5.317 679 2HG GLN 32 1HG GLN 32 -7.655 9.759 -5.747 680 1HE2 GLN 32 1HE2 GLN 32 -5.148 8.165 -4.605 681 2HE2 GLN 32 2HE2 GLN 32 -4.655 7.269 -5.992 682 H PHE 33 H PHE 33 -5.018 7.177 -2.515 683 HA PHE 33 HA PHE 33 -4.461 5.384 -4.563 684 1HB PHE 33 2HB PHE 33 -2.809 6.520 -3.045 685 2HB PHE 33 1HB PHE 33 -3.260 5.386 -1.781 686 HD1 PHE 33 1HD PHE 33 -1.904 5.538 -5.227 687 HD2 PHE 33 2HD PHE 33 -2.122 3.366 -1.562 688 HE1 PHE 33 1HE PHE 33 -0.187 3.974 -6.040 689 HE2 PHE 33 2HE PHE 33 -0.407 1.808 -2.386 690 HZ PHE 33 HZ PHE 33 0.561 2.121 -4.632 691 H PHE 34 H PHE 34 -5.191 4.636 -1.170 692 HA PHE 34 HA PHE 34 -5.550 1.839 -1.660 693 1HB PHE 34 2HB PHE 34 -6.250 3.517 0.751 694 2HB PHE 34 1HB PHE 34 -6.281 1.752 0.697 695 HD1 PHE 34 1HD PHE 34 -3.948 1.003 -0.726 696 HD2 PHE 34 2HD PHE 34 -4.450 4.191 2.040 697 HE1 PHE 34 1HE PHE 34 -1.541 0.952 -0.241 698 HE2 PHE 34 2HE PHE 34 -2.041 4.141 2.539 699 HZ PHE 34 HZ PHE 34 -0.591 2.520 1.385 700 H ASN 35 H ASN 35 -7.745 4.562 -1.190 701 HA ASN 35 HA ASN 35 -10.182 3.274 -1.054 702 1HB ASN 35 2HB ASN 35 -9.983 5.700 -0.886 703 2HB ASN 35 1HB ASN 35 -9.462 5.802 -2.564 704 1HD2 ASN 35 1HD2 ASN 35 -11.891 6.596 -0.767 705 2HD2 ASN 35 2HD2 ASN 35 -13.233 6.280 -1.804 706 H ASP 36 H ASP 36 -8.146 3.940 -3.806 707 HA ASP 36 HA ASP 36 -10.009 2.652 -5.644 708 1HB ASP 36 2HB ASP 36 -7.430 4.143 -6.156 709 2HB ASP 36 1HB ASP 36 -8.444 3.446 -7.416 710 H ASN 37 H ASN 37 -6.997 1.919 -4.019 711 HA ASN 37 HA ASN 37 -6.324 -0.217 -5.852 712 1HB ASN 37 2HB ASN 37 -5.260 0.482 -3.103 713 2HB ASN 37 1HB ASN 37 -4.678 -0.880 -4.051 714 1HD2 ASN 37 1HD2 ASN 37 -3.512 1.760 -3.068 715 2HD2 ASN 37 2HD2 ASN 37 -2.751 2.412 -4.476 716 H GLY 38 H GLY 38 -7.643 0.122 -2.620 717 1HA GLY 38 2HA GLY 38 -8.181 -1.843 -1.265 718 2HA GLY 38 1HA GLY 38 -9.606 -1.176 -2.026 719 H VAL 39 H VAL 39 -10.903 -2.638 -2.747 720 HA VAL 39 HA VAL 39 -9.973 -5.327 -3.189 721 HB VAL 39 HB VAL 39 -12.761 -4.211 -3.207 722 1HG1 VAL 39 1HG1 VAL 39 -13.190 -6.163 -4.266 723 2HG1 VAL 39 2HG1 VAL 39 -13.072 -6.820 -2.633 724 3HG1 VAL 39 3HG1 VAL 39 -11.688 -6.912 -3.721 725 1HG2 VAL 39 1HG2 VAL 39 -11.052 -5.464 -1.088 726 2HG2 VAL 39 2HG2 VAL 39 -12.812 -5.474 -0.984 727 3HG2 VAL 39 3HG2 VAL 39 -11.941 -3.941 -1.038 728 H ASP 40 H ASP 40 -11.662 -2.935 -5.295 729 HA ASP 40 HA ASP 40 -11.465 -4.903 -7.440 730 1HB ASP 40 2HB ASP 40 -12.968 -2.291 -7.287 731 2HB ASP 40 1HB ASP 40 -12.980 -3.378 -8.672 732 H GLY 41 H GLY 41 -9.074 -3.387 -6.537 733 1HA GLY 41 2HA GLY 41 -8.523 -1.443 -8.580 734 2HA GLY 41 1HA GLY 41 -7.358 -2.128 -7.455 735 H GLU 42 H GLU 42 -6.524 -1.723 -10.006 736 HA GLU 42 HA GLU 42 -6.830 -4.222 -11.481 737 1HB GLU 42 2HB GLU 42 -5.248 -1.729 -12.146 738 2HB GLU 42 1HB GLU 42 -5.493 -3.100 -13.219 739 1HG GLU 42 2HG GLU 42 -7.890 -2.663 -13.243 740 2HG GLU 42 1HG GLU 42 -7.654 -1.297 -12.152 741 H TRP 43 H TRP 43 -5.714 -5.773 -10.321 742 HA TRP 43 HA TRP 43 -2.955 -5.216 -9.545 743 1HB TRP 43 2HB TRP 43 -4.698 -7.613 -8.971 744 2HB TRP 43 1HB TRP 43 -3.095 -7.327 -8.307 745 HD1 TRP 43 HD TRP 43 -6.041 -4.820 -8.476 746 HE1 TRP 43 1HE TRP 43 -6.563 -4.058 -6.070 747 HE3 TRP 43 3HE TRP 43 -2.734 -7.777 -5.974 748 HZ2 TRP 43 2HZ TRP 43 -5.681 -4.640 -3.463 749 HZ3 TRP 43 3HZ TRP 43 -2.625 -7.620 -3.530 750 HH2 TRP 43 HH TRP 43 -4.076 -6.081 -2.295 751 H THR 44 H THR 44 -1.325 -5.763 -10.806 752 HA THR 44 HA THR 44 -1.664 -7.993 -12.695 753 HB THR 44 HB THR 44 0.306 -7.008 -13.877 754 HG1 THR 44 1HG THR 44 1.019 -5.845 -11.929 755 1HG2 THR 44 1HG2 THR 44 -1.129 -4.618 -14.077 756 2HG2 THR 44 2HG2 THR 44 -2.321 -5.881 -13.768 757 3HG2 THR 44 3HG2 THR 44 -1.217 -6.026 -15.136 758 H TYR 45 H TYR 45 -0.377 -9.777 -12.479 759 HA TYR 45 HA TYR 45 1.485 -9.750 -10.205 760 1HB TYR 45 2HB TYR 45 -0.380 -11.333 -10.027 761 2HB TYR 45 1HB TYR 45 0.108 -12.087 -11.543 762 HD1 TYR 45 1HD TYR 45 2.195 -10.989 -8.657 763 HD2 TYR 45 2HD TYR 45 0.743 -14.251 -10.969 764 HE1 TYR 45 1HE TYR 45 3.667 -12.517 -7.413 765 HE2 TYR 45 2HE TYR 45 2.210 -15.788 -9.732 766 HH TYR 45 HH TYR 45 4.501 -15.476 -8.401 767 H ASP 46 H ASP 46 3.551 -10.519 -10.361 768 HA ASP 46 HA ASP 46 4.507 -11.194 -13.064 769 1HB ASP 46 2HB ASP 46 5.223 -8.923 -12.461 770 2HB ASP 46 1HB ASP 46 5.942 -9.536 -10.974 771 H ASP 47 H ASP 47 4.208 -13.406 -12.426 772 HA ASP 47 HA ASP 47 5.186 -14.724 -10.241 773 1HB ASP 47 2HB ASP 47 5.228 -15.708 -13.102 774 2HB ASP 47 1HB ASP 47 5.369 -16.730 -11.675 775 H ALA 48 H ALA 48 7.000 -13.611 -13.034 776 HA ALA 48 HA ALA 48 9.370 -14.968 -12.772 777 1HB ALA 48 1HB ALA 48 8.564 -13.083 -14.431 778 2HB ALA 48 2HB ALA 48 10.277 -13.432 -14.192 779 3HB ALA 48 3HB ALA 48 9.531 -12.063 -13.367 780 H THR 49 H THR 49 8.220 -12.273 -10.826 781 HA THR 49 HA THR 49 10.584 -12.625 -9.106 782 HB THR 49 HB THR 49 10.520 -10.207 -8.610 783 HG1 THR 49 1HG THR 49 8.327 -9.848 -9.156 784 1HG2 THR 49 1HG2 THR 49 11.407 -9.362 -10.685 785 2HG2 THR 49 2HG2 THR 49 10.717 -10.725 -11.566 786 3HG2 THR 49 3HG2 THR 49 12.007 -10.994 -10.395 787 H LYS 50 H LYS 50 7.497 -13.334 -9.152 788 HA LYS 50 HA LYS 50 5.833 -13.600 -7.593 789 1HB LYS 50 2HB LYS 50 8.130 -13.283 -5.663 790 2HB LYS 50 1HB LYS 50 6.555 -13.969 -5.290 791 1HG LYS 50 2HG LYS 50 7.352 -15.476 -7.427 792 2HG LYS 50 1HG LYS 50 8.872 -15.179 -6.578 793 1HD LYS 50 2HD LYS 50 7.808 -15.955 -4.491 794 2HD LYS 50 1HD LYS 50 6.347 -16.325 -5.408 795 1HE LYS 50 2HE LYS 50 7.719 -18.324 -5.035 796 2HE LYS 50 1HE LYS 50 7.575 -17.938 -6.748 797 1HZ LYS 50 1HZ LYS 50 9.886 -17.014 -5.156 798 2HZ LYS 50 2HZ LYS 50 9.758 -17.174 -6.835 799 3HZ LYS 50 3HZ LYS 50 9.864 -18.552 -5.860 800 H THR 51 H THR 51 6.451 -10.913 -8.534 801 HA THR 51 HA THR 51 5.784 -9.284 -6.192 802 HB THR 51 HB THR 51 6.814 -8.494 -8.920 803 HG1 THR 51 1HG THR 51 8.040 -8.576 -6.368 804 1HG2 THR 51 1HG2 THR 51 7.291 -6.407 -7.196 805 2HG2 THR 51 2HG2 THR 51 5.635 -6.883 -6.830 806 3HG2 THR 51 3HG2 THR 51 6.084 -6.452 -8.480 807 H PHE 52 H PHE 52 4.039 -7.826 -6.226 808 HA PHE 52 HA PHE 52 2.074 -8.312 -8.367 809 1HB PHE 52 2HB PHE 52 1.487 -7.835 -5.448 810 2HB PHE 52 1HB PHE 52 0.295 -8.050 -6.722 811 HD1 PHE 52 1HD PHE 52 -0.516 -10.166 -7.200 812 HD2 PHE 52 2HD PHE 52 3.146 -9.768 -5.069 813 HE1 PHE 52 1HE PHE 52 -0.479 -12.596 -6.815 814 HE2 PHE 52 2HE PHE 52 3.190 -12.196 -4.683 815 HZ PHE 52 HZ PHE 52 1.375 -13.613 -5.556 816 H THR 53 H THR 53 2.434 -6.557 -9.529 817 HA THR 53 HA THR 53 2.626 -3.917 -8.385 818 HB THR 53 HB THR 53 2.363 -3.234 -10.887 819 HG1 THR 53 1HG THR 53 3.168 -5.912 -11.249 820 1HG2 THR 53 1HG2 THR 53 4.697 -4.524 -9.590 821 2HG2 THR 53 2HG2 THR 53 4.465 -2.855 -10.119 822 3HG2 THR 53 3HG2 THR 53 4.779 -4.126 -11.306 823 H VAL 54 H VAL 54 1.063 -2.604 -7.869 824 HA VAL 54 HA VAL 54 -1.643 -3.126 -8.915 825 HB VAL 54 HB VAL 54 -0.876 -1.819 -6.290 826 1HG1 VAL 54 1HG1 VAL 54 -3.421 -2.069 -7.766 827 2HG1 VAL 54 2HG1 VAL 54 -2.895 -0.853 -6.602 828 3HG1 VAL 54 3HG1 VAL 54 -3.485 -2.416 -6.039 829 1HG2 VAL 54 1HG2 VAL 54 -0.432 -4.118 -6.057 830 2HG2 VAL 54 2HG2 VAL 54 -1.871 -4.573 -6.970 831 3HG2 VAL 54 3HG2 VAL 54 -2.034 -3.880 -5.357 832 H THR 55 H THR 55 -2.142 -1.709 -10.452 833 HA THR 55 HA THR 55 -1.043 1.001 -10.293 834 HB THR 55 HB THR 55 -2.419 -0.316 -12.634 835 HG1 THR 55 1HG THR 55 -0.291 -0.598 -13.413 836 1HG2 THR 55 1HG2 THR 55 -2.454 2.037 -12.926 837 2HG2 THR 55 2HG2 THR 55 -1.152 1.399 -13.928 838 3HG2 THR 55 3HG2 THR 55 -0.778 2.188 -12.394 839 H GLU 56 H GLU 56 -2.281 2.528 -9.446 840 HA GLU 56 HA GLU 56 -5.122 2.149 -9.165 841 1HB GLU 56 2HB GLU 56 -3.630 3.236 -7.441 842 2HB GLU 56 1HB GLU 56 -3.512 4.620 -8.517 843 1HG GLU 56 2HG GLU 56 -6.075 3.547 -7.364 844 2HG GLU 56 1HG GLU 56 -5.171 4.917 -6.723 Start of MODEL 19 1 1H MET 1 1HT MET 1 7.294 -19.613 2.416 2 2H MET 1 2HT MET 1 6.263 -18.395 2.979 3 3H MET 1 3HT MET 1 7.939 -18.219 3.127 4 HA MET 1 HA MET 1 8.227 -18.017 0.796 5 1HB MET 1 2HB MET 1 6.366 -19.707 0.381 6 2HB MET 1 1HB MET 1 5.240 -18.379 0.553 7 1HG MET 1 2HG MET 1 5.717 -18.951 -1.775 8 2HG MET 1 1HG MET 1 6.135 -17.297 -1.388 9 1HE MET 1 1HE MET 1 8.287 -16.387 -1.070 10 2HE MET 1 2HE MET 1 9.623 -16.850 -2.120 11 3HE MET 1 3HE MET 1 9.553 -17.451 -0.466 12 H GLN 2 H GLN 2 8.712 -15.921 0.774 13 HA GLN 2 HA GLN 2 6.742 -13.969 1.712 14 1HB GLN 2 2HB GLN 2 8.977 -13.859 2.732 15 2HB GLN 2 1HB GLN 2 9.697 -13.643 1.144 16 1HG GLN 2 2HG GLN 2 8.517 -11.524 0.890 17 2HG GLN 2 1HG GLN 2 7.782 -11.741 2.478 18 1HE2 GLN 2 1HE2 GLN 2 10.142 -10.169 0.894 19 2HE2 GLN 2 2HE2 GLN 2 11.263 -9.915 2.185 20 H TYR 3 H TYR 3 5.941 -12.386 0.413 21 HA TYR 3 HA TYR 3 6.777 -12.450 -2.410 22 1HB TYR 3 2HB TYR 3 3.991 -12.142 -1.277 23 2HB TYR 3 1HB TYR 3 4.399 -11.837 -2.962 24 HD1 TYR 3 1HD TYR 3 4.517 -13.600 -4.511 25 HD2 TYR 3 2HD TYR 3 4.342 -14.479 -0.349 26 HE1 TYR 3 1HE TYR 3 4.182 -15.977 -5.033 27 HE2 TYR 3 2HE TYR 3 4.018 -16.866 -0.860 28 HH TYR 3 HH TYR 3 3.942 -18.413 -2.465 29 H LYS 4 H LYS 4 7.019 -10.511 -3.464 30 HA LYS 4 HA LYS 4 6.905 -8.138 -1.728 31 1HB LYS 4 2HB LYS 4 9.119 -8.649 -2.610 32 2HB LYS 4 1HB LYS 4 8.491 -8.641 -4.251 33 1HG LYS 4 2HG LYS 4 7.963 -6.266 -4.045 34 2HG LYS 4 1HG LYS 4 8.585 -6.273 -2.392 35 1HD LYS 4 2HD LYS 4 10.798 -6.909 -3.233 36 2HD LYS 4 1HD LYS 4 10.173 -6.894 -4.885 37 1HE LYS 4 2HE LYS 4 10.292 -4.533 -3.009 38 2HE LYS 4 1HE LYS 4 11.378 -4.830 -4.366 39 1HZ LYS 4 1HZ LYS 4 9.893 -3.468 -5.369 40 2HZ LYS 4 2HZ LYS 4 8.605 -3.915 -4.370 41 3HZ LYS 4 3HZ LYS 4 9.082 -4.927 -5.637 42 H VAL 5 H VAL 5 5.054 -7.052 -1.987 43 HA VAL 5 HA VAL 5 3.827 -6.948 -4.633 44 HB VAL 5 HB VAL 5 2.733 -5.969 -1.989 45 1HG1 VAL 5 1HG1 VAL 5 1.803 -5.745 -4.763 46 2HG1 VAL 5 2HG1 VAL 5 1.389 -4.783 -3.344 47 3HG1 VAL 5 3HG1 VAL 5 0.592 -6.333 -3.623 48 1HG2 VAL 5 1HG2 VAL 5 1.186 -8.085 -2.900 49 2HG2 VAL 5 2HG2 VAL 5 2.345 -8.121 -1.572 50 3HG2 VAL 5 3HG2 VAL 5 2.848 -8.600 -3.192 51 H ILE 6 H ILE 6 3.666 -5.155 -5.815 52 HA ILE 6 HA ILE 6 5.003 -2.732 -4.821 53 HB ILE 6 HB ILE 6 4.687 -3.800 -7.632 54 1HG1 ILE 6 2HG1 ILE 6 7.141 -3.339 -5.927 55 2HG1 ILE 6 1HG1 ILE 6 6.401 -4.903 -6.246 56 1HG2 ILE 6 1HG2 ILE 6 4.773 -1.145 -6.990 57 2HG2 ILE 6 2HG2 ILE 6 5.275 -1.850 -8.525 58 3HG2 ILE 6 3HG2 ILE 6 6.471 -1.524 -7.271 59 1HD1 ILE 6 1HD1 ILE 6 7.794 -3.089 -8.191 60 2HD1 ILE 6 2HD1 ILE 6 6.835 -4.487 -8.685 61 3HD1 ILE 6 3HD1 ILE 6 8.266 -4.710 -7.679 62 H LEU 7 H LEU 7 3.820 -0.920 -4.623 63 HA LEU 7 HA LEU 7 1.091 -0.937 -5.720 64 1HB LEU 7 2HB LEU 7 2.063 0.890 -3.546 65 2HB LEU 7 1HB LEU 7 0.425 0.363 -3.888 66 HG LEU 7 HG LEU 7 2.618 -1.334 -2.715 67 1HD1 LEU 7 1HD1 LEU 7 1.248 -1.317 -0.708 68 2HD1 LEU 7 2HD1 LEU 7 0.072 -0.267 -1.502 69 3HD1 LEU 7 3HD1 LEU 7 1.700 0.324 -1.168 70 1HD2 LEU 7 1HD2 LEU 7 1.168 -2.635 -4.176 71 2HD2 LEU 7 2HD2 LEU 7 -0.254 -2.015 -3.339 72 3HD2 LEU 7 3HD2 LEU 7 0.892 -3.050 -2.484 73 H ASN 8 H ASN 8 1.212 0.031 -7.691 74 HA ASN 8 HA ASN 8 2.636 2.596 -7.896 75 1HB ASN 8 2HB ASN 8 1.767 0.656 -10.039 76 2HB ASN 8 1HB ASN 8 2.462 2.238 -10.372 77 1HD2 ASN 8 1HD2 ASN 8 4.525 2.175 -10.840 78 2HD2 ASN 8 2HD2 ASN 8 5.680 1.049 -10.220 79 H GLY 9 H GLY 9 1.269 4.243 -7.438 80 1HA GLY 9 2HA GLY 9 -1.422 4.142 -8.645 81 2HA GLY 9 1HA GLY 9 -1.015 5.049 -7.198 82 H LYS 10 H LYS 10 -2.150 6.742 -8.482 83 HA LYS 10 HA LYS 10 -0.886 7.847 -10.779 84 1HB LYS 10 2HB LYS 10 -3.022 8.819 -8.908 85 2HB LYS 10 1HB LYS 10 -2.367 9.873 -10.150 86 1HG LYS 10 2HG LYS 10 -4.468 8.764 -10.807 87 2HG LYS 10 1HG LYS 10 -3.123 8.405 -11.887 88 1HD LYS 10 2HD LYS 10 -3.670 6.539 -9.631 89 2HD LYS 10 1HD LYS 10 -4.752 6.513 -11.025 90 1HE LYS 10 2HE LYS 10 -2.809 6.170 -12.496 91 2HE LYS 10 1HE LYS 10 -1.758 6.140 -11.087 92 1HZ LYS 10 1HZ LYS 10 -3.912 4.206 -11.732 93 2HZ LYS 10 2HZ LYS 10 -3.044 4.212 -10.280 94 3HZ LYS 10 3HZ LYS 10 -2.245 3.911 -11.741 95 H THR 11 H THR 11 -1.101 9.020 -7.405 96 HA THR 11 HA THR 11 1.328 10.593 -7.901 97 HB THR 11 HB THR 11 0.373 11.931 -5.894 98 HG1 THR 11 1HG THR 11 -1.895 11.830 -5.784 99 1HG2 THR 11 1HG2 THR 11 -0.075 13.463 -7.416 100 2HG2 THR 11 2HG2 THR 11 -1.528 12.590 -7.902 101 3HG2 THR 11 3HG2 THR 11 0.019 12.219 -8.663 102 H LEU 12 H LEU 12 0.753 7.765 -6.768 103 HA LEU 12 HA LEU 12 2.574 8.069 -4.507 104 1HB LEU 12 2HB LEU 12 0.373 8.027 -3.514 105 2HB LEU 12 1HB LEU 12 -0.048 6.589 -4.418 106 HG LEU 12 HG LEU 12 1.496 5.261 -3.141 107 1HD1 LEU 12 1HD1 LEU 12 2.635 7.838 -2.558 108 2HD1 LEU 12 2HD1 LEU 12 3.339 6.235 -2.390 109 3HD1 LEU 12 3HD1 LEU 12 2.366 6.914 -1.083 110 1HD2 LEU 12 1HD2 LEU 12 -0.808 6.323 -2.161 111 2HD2 LEU 12 2HD2 LEU 12 0.343 6.743 -0.893 112 3HD2 LEU 12 3HD2 LEU 12 0.133 5.058 -1.374 113 H LYS 13 H LYS 13 4.010 6.449 -4.260 114 HA LYS 13 HA LYS 13 3.680 3.967 -5.755 115 1HB LYS 13 2HB LYS 13 6.066 5.788 -6.126 116 2HB LYS 13 1HB LYS 13 5.934 4.154 -6.759 117 1HG LYS 13 2HG LYS 13 4.024 4.841 -8.128 118 2HG LYS 13 1HG LYS 13 4.177 6.484 -7.503 119 1HD LYS 13 2HD LYS 13 6.422 6.642 -8.460 120 2HD LYS 13 1HD LYS 13 6.277 4.994 -9.074 121 1HE LYS 13 2HE LYS 13 4.380 5.679 -10.459 122 2HE LYS 13 1HE LYS 13 4.524 7.326 -9.844 123 1HZ LYS 13 1HZ LYS 13 5.569 6.929 -12.057 124 2HZ LYS 13 2HZ LYS 13 6.703 5.929 -11.295 125 3HZ LYS 13 3HZ LYS 13 6.620 7.572 -10.895 126 H GLY 14 H GLY 14 4.930 2.233 -4.924 127 1HA GLY 14 2HA GLY 14 6.939 2.588 -2.958 128 2HA GLY 14 1HA GLY 14 5.396 2.294 -2.178 129 H GLU 15 H GLU 15 6.956 0.502 -1.433 130 HA GLU 15 HA GLU 15 6.335 -1.871 -3.038 131 1HB GLU 15 2HB GLU 15 9.025 -1.288 -1.779 132 2HB GLU 15 1HB GLU 15 8.563 -2.823 -2.493 133 1HG GLU 15 2HG GLU 15 9.889 -1.675 -4.080 134 2HG GLU 15 1HG GLU 15 8.225 -1.622 -4.657 135 H THR 16 H THR 16 5.615 -3.560 -1.879 136 HA THR 16 HA THR 16 5.929 -3.499 1.030 137 HB THR 16 HB THR 16 3.778 -2.660 0.927 138 HG1 THR 16 1HG THR 16 3.261 -5.415 0.748 139 1HG2 THR 16 1HG2 THR 16 3.186 -2.567 -1.303 140 2HG2 THR 16 2HG2 THR 16 2.027 -3.712 -0.627 141 3HG2 THR 16 3HG2 THR 16 3.415 -4.297 -1.538 142 H THR 17 H THR 17 5.278 -5.632 2.045 143 HA THR 17 HA THR 17 5.637 -7.897 0.234 144 HB THR 17 HB THR 17 7.372 -8.848 1.759 145 HG1 THR 17 1HG THR 17 7.276 -6.238 2.849 146 1HG2 THR 17 1HG2 THR 17 7.988 -6.275 0.348 147 2HG2 THR 17 2HG2 THR 17 8.224 -7.922 -0.234 148 3HG2 THR 17 3HG2 THR 17 9.226 -7.298 1.076 149 H THR 18 H THR 18 4.196 -9.392 0.652 150 HA THR 18 HA THR 18 3.090 -9.659 3.382 151 HB THR 18 HB THR 18 1.450 -9.096 1.609 152 HG1 THR 18 1HG THR 18 0.872 -10.453 3.395 153 1HG2 THR 18 1HG2 THR 18 0.841 -11.130 0.114 154 2HG2 THR 18 2HG2 THR 18 2.543 -11.541 0.313 155 3HG2 THR 18 3HG2 THR 18 2.088 -9.993 -0.397 156 H GLU 19 H GLU 19 3.104 -11.684 4.356 157 HA GLU 19 HA GLU 19 4.765 -13.724 3.020 158 1HB GLU 19 2HB GLU 19 5.458 -12.713 5.269 159 2HB GLU 19 1HB GLU 19 4.103 -13.586 5.964 160 1HG GLU 19 2HG GLU 19 6.395 -14.862 4.489 161 2HG GLU 19 1HG GLU 19 6.267 -14.732 6.239 162 H ALA 20 H ALA 20 3.523 -15.240 2.042 163 HA ALA 20 HA ALA 20 1.363 -16.435 3.607 164 1HB ALA 20 1HB ALA 20 0.782 -15.919 0.743 165 2HB ALA 20 2HB ALA 20 0.657 -14.570 1.875 166 3HB ALA 20 3HB ALA 20 -0.311 -16.024 2.123 167 H VAL 21 H VAL 21 0.766 -18.509 2.978 168 HA VAL 21 HA VAL 21 2.770 -20.284 2.368 169 HB VAL 21 HB VAL 21 -0.134 -20.770 1.712 170 1HG1 VAL 21 1HG1 VAL 21 0.338 -23.072 2.057 171 2HG1 VAL 21 2HG1 VAL 21 1.953 -22.715 2.666 172 3HG1 VAL 21 3HG1 VAL 21 1.574 -22.449 0.965 173 1HG2 VAL 21 1HG2 VAL 21 1.300 -20.652 4.331 174 2HG2 VAL 21 2HG2 VAL 21 -0.063 -21.753 4.118 175 3HG2 VAL 21 3HG2 VAL 21 -0.286 -20.018 3.890 176 H ASP 22 H ASP 22 0.553 -18.716 0.122 177 HA ASP 22 HA ASP 22 2.335 -19.450 -2.063 178 1HB ASP 22 2HB ASP 22 0.552 -20.282 -3.510 179 2HB ASP 22 1HB ASP 22 0.686 -21.266 -2.057 180 H ALA 23 H ALA 23 1.666 -18.336 -4.149 181 HA ALA 23 HA ALA 23 1.627 -15.603 -3.782 182 1HB ALA 23 1HB ALA 23 1.789 -15.463 -6.029 183 2HB ALA 23 2HB ALA 23 0.427 -16.550 -6.300 184 3HB ALA 23 3HB ALA 23 2.016 -17.207 -5.909 185 H ALA 24 H ALA 24 -1.099 -17.769 -4.355 186 HA ALA 24 HA ALA 24 -3.054 -15.761 -4.673 187 1HB ALA 24 1HB ALA 24 -3.251 -18.271 -5.167 188 2HB ALA 24 2HB ALA 24 -4.659 -17.464 -4.480 189 3HB ALA 24 3HB ALA 24 -3.621 -18.453 -3.452 190 H THR 25 H THR 25 -2.211 -17.707 -1.788 191 HA THR 25 HA THR 25 -3.876 -16.426 0.016 192 HB THR 25 HB THR 25 -2.203 -17.135 1.743 193 HG1 THR 25 1HG THR 25 -0.298 -17.796 1.215 194 1HG2 THR 25 1HG2 THR 25 -3.359 -19.017 1.650 195 2HG2 THR 25 2HG2 THR 25 -2.103 -19.628 0.572 196 3HG2 THR 25 3HG2 THR 25 -3.556 -18.884 -0.099 197 H ALA 26 H ALA 26 -0.582 -15.634 -1.010 198 HA ALA 26 HA ALA 26 -0.223 -13.376 0.627 199 1HB ALA 26 1HB ALA 26 1.750 -13.186 -0.436 200 2HB ALA 26 2HB ALA 26 0.997 -13.185 -2.031 201 3HB ALA 26 3HB ALA 26 1.318 -14.711 -1.207 202 H GLU 27 H GLU 27 -1.314 -13.650 -2.767 203 HA GLU 27 HA GLU 27 -1.878 -11.020 -3.292 204 1HB GLU 27 2HB GLU 27 -1.964 -12.868 -4.933 205 2HB GLU 27 1HB GLU 27 -3.454 -13.431 -4.193 206 1HG GLU 27 2HG GLU 27 -3.975 -12.211 -6.183 207 2HG GLU 27 1HG GLU 27 -4.518 -11.290 -4.782 208 H LYS 28 H LYS 28 -4.060 -13.465 -1.889 209 HA LYS 28 HA LYS 28 -6.296 -11.813 -1.585 210 1HB LYS 28 2HB LYS 28 -5.429 -14.197 0.056 211 2HB LYS 28 1HB LYS 28 -7.022 -13.462 0.136 212 1HG LYS 28 2HG LYS 28 -5.780 -14.796 -2.259 213 2HG LYS 28 1HG LYS 28 -7.073 -15.439 -1.248 214 1HD LYS 28 2HD LYS 28 -7.291 -12.866 -2.805 215 2HD LYS 28 1HD LYS 28 -7.813 -14.431 -3.428 216 1HE LYS 28 2HE LYS 28 -9.739 -13.349 -2.553 217 2HE LYS 28 1HE LYS 28 -9.306 -14.629 -1.424 218 1HZ LYS 28 1HZ LYS 28 -8.089 -12.096 -0.811 219 2HZ LYS 28 2HZ LYS 28 -8.937 -13.157 0.195 220 3HZ LYS 28 3HZ LYS 28 -9.778 -12.051 -0.766 221 H VAL 29 H VAL 29 -3.560 -12.423 0.554 222 HA VAL 29 HA VAL 29 -4.444 -11.099 2.832 223 HB VAL 29 HB VAL 29 -1.641 -11.283 1.709 224 1HG1 VAL 29 1HG1 VAL 29 -1.019 -10.893 4.161 225 2HG1 VAL 29 2HG1 VAL 29 -2.644 -10.229 4.328 226 3HG1 VAL 29 3HG1 VAL 29 -1.504 -9.496 3.201 227 1HG2 VAL 29 1HG2 VAL 29 -1.708 -13.395 2.383 228 2HG2 VAL 29 2HG2 VAL 29 -3.357 -13.181 2.968 229 3HG2 VAL 29 3HG2 VAL 29 -1.994 -12.847 4.035 230 H VAL 30 H VAL 30 -2.921 -9.837 -0.079 231 HA VAL 30 HA VAL 30 -2.658 -7.169 0.820 232 HB VAL 30 HB VAL 30 -3.042 -8.111 -2.024 233 1HG1 VAL 30 1HG1 VAL 30 -1.460 -5.733 -1.136 234 2HG1 VAL 30 2HG1 VAL 30 -3.202 -5.622 -1.383 235 3HG1 VAL 30 3HG1 VAL 30 -2.149 -6.082 -2.722 236 1HG2 VAL 30 1HG2 VAL 30 -0.815 -8.441 -0.164 237 2HG2 VAL 30 2HG2 VAL 30 -0.356 -7.685 -1.691 238 3HG2 VAL 30 3HG2 VAL 30 -1.149 -9.260 -1.690 239 H LYS 31 H LYS 31 -5.199 -8.851 -1.055 240 HA LYS 31 HA LYS 31 -6.908 -6.752 -1.542 241 1HB LYS 31 2HB LYS 31 -7.428 -9.650 -0.992 242 2HB LYS 31 1HB LYS 31 -8.773 -8.539 -1.212 243 1HG LYS 31 2HG LYS 31 -8.275 -9.646 -3.289 244 2HG LYS 31 1HG LYS 31 -7.882 -7.932 -3.420 245 1HD LYS 31 2HD LYS 31 -5.510 -8.498 -2.962 246 2HD LYS 31 1HD LYS 31 -5.956 -10.204 -2.986 247 1HE LYS 31 2HE LYS 31 -6.328 -8.277 -5.274 248 2HE LYS 31 1HE LYS 31 -5.019 -9.449 -5.134 249 1HZ LYS 31 1HZ LYS 31 -7.888 -9.927 -5.612 250 2HZ LYS 31 2HZ LYS 31 -6.932 -11.141 -4.924 251 3HZ LYS 31 3HZ LYS 31 -6.553 -10.530 -6.456 252 H GLN 32 H GLN 32 -6.685 -8.725 1.388 253 HA GLN 32 HA GLN 32 -8.769 -7.343 2.763 254 1HB GLN 32 2HB GLN 32 -8.010 -9.622 3.397 255 2HB GLN 32 1HB GLN 32 -6.467 -8.949 3.901 256 1HG GLN 32 2HG GLN 32 -7.829 -9.331 5.831 257 2HG GLN 32 1HG GLN 32 -7.633 -7.599 5.594 258 1HE2 GLN 32 1HE2 GLN 32 -9.777 -8.876 3.319 259 2HE2 GLN 32 2HE2 GLN 32 -11.249 -8.474 4.121 260 H PHE 33 H PHE 33 -5.296 -7.049 2.545 261 HA PHE 33 HA PHE 33 -4.749 -5.204 4.532 262 1HB PHE 33 2HB PHE 33 -3.097 -6.437 3.109 263 2HB PHE 33 1HB PHE 33 -3.477 -5.342 1.787 264 HD1 PHE 33 1HD PHE 33 -2.019 -5.572 5.156 265 HD2 PHE 33 2HD PHE 33 -2.463 -3.194 1.641 266 HE1 PHE 33 1HE PHE 33 -0.278 -4.037 5.963 267 HE2 PHE 33 2HE PHE 33 -0.724 -1.659 2.462 268 HZ PHE 33 HZ PHE 33 0.370 -2.086 4.630 269 H PHE 34 H PHE 34 -5.441 -4.542 1.122 270 HA PHE 34 HA PHE 34 -5.689 -1.708 1.558 271 1HB PHE 34 2HB PHE 34 -6.279 -3.390 -0.875 272 2HB PHE 34 1HB PHE 34 -6.346 -1.625 -0.838 273 HD1 PHE 34 1HD PHE 34 -4.083 -0.908 0.794 274 HD2 PHE 34 2HD PHE 34 -4.424 -3.950 -2.155 275 HE1 PHE 34 1HE PHE 34 -1.655 -0.824 0.441 276 HE2 PHE 34 2HE PHE 34 -1.992 -3.863 -2.526 277 HZ PHE 34 HZ PHE 34 -0.611 -2.308 -1.208 278 H ASN 35 H ASN 35 -7.952 -4.365 1.110 279 HA ASN 35 HA ASN 35 -10.338 -2.995 0.823 280 1HB ASN 35 2HB ASN 35 -10.225 -5.428 0.741 281 2HB ASN 35 1HB ASN 35 -9.752 -5.495 2.435 282 1HD2 ASN 35 1HD2 ASN 35 -12.153 -6.306 0.622 283 2HD2 ASN 35 2HD2 ASN 35 -13.514 -5.903 1.603 284 H ASP 36 H ASP 36 -8.445 -3.655 3.691 285 HA ASP 36 HA ASP 36 -10.340 -2.246 5.404 286 1HB ASP 36 2HB ASP 36 -7.851 -3.807 6.095 287 2HB ASP 36 1HB ASP 36 -8.919 -3.049 7.272 288 H ASN 37 H ASN 37 -7.186 -1.680 3.976 289 HA ASN 37 HA ASN 37 -6.517 0.448 5.799 290 1HB ASN 37 2HB ASN 37 -5.362 -0.310 3.107 291 2HB ASN 37 1HB ASN 37 -4.763 1.029 4.077 292 1HD2 ASN 37 1HD2 ASN 37 -3.584 -1.566 3.164 293 2HD2 ASN 37 2HD2 ASN 37 -2.956 -2.285 4.607 294 H GLY 38 H GLY 38 -7.903 0.140 2.623 295 1HA GLY 38 2HA GLY 38 -8.245 2.133 1.197 296 2HA GLY 38 1HA GLY 38 -9.718 1.595 1.968 297 H VAL 39 H VAL 39 -10.895 3.161 2.719 298 HA VAL 39 HA VAL 39 -9.798 5.789 3.027 299 HB VAL 39 HB VAL 39 -12.617 4.802 3.315 300 1HG1 VAL 39 1HG1 VAL 39 -12.695 6.791 4.496 301 2HG1 VAL 39 2HG1 VAL 39 -13.046 7.336 2.854 302 3HG1 VAL 39 3HG1 VAL 39 -11.426 7.536 3.525 303 1HG2 VAL 39 1HG2 VAL 39 -12.783 6.104 1.100 304 2HG2 VAL 39 2HG2 VAL 39 -12.040 4.504 1.089 305 3HG2 VAL 39 3HG2 VAL 39 -11.028 5.947 1.056 306 H ASP 40 H ASP 40 -11.730 3.785 5.332 307 HA ASP 40 HA ASP 40 -11.078 5.697 7.400 308 1HB ASP 40 2HB ASP 40 -12.786 3.210 7.459 309 2HB ASP 40 1HB ASP 40 -12.614 4.348 8.792 310 H GLY 41 H GLY 41 -8.908 3.911 6.357 311 1HA GLY 41 2HA GLY 41 -8.348 1.934 8.307 312 2HA GLY 41 1HA GLY 41 -7.178 2.657 7.214 313 H GLU 42 H GLU 42 -7.016 1.953 10.111 314 HA GLU 42 HA GLU 42 -6.912 4.423 11.572 315 1HB GLU 42 2HB GLU 42 -5.694 1.728 12.210 316 2HB GLU 42 1HB GLU 42 -5.812 3.079 13.328 317 1HG GLU 42 2HG GLU 42 -8.131 1.609 12.095 318 2HG GLU 42 1HG GLU 42 -7.533 1.405 13.741 319 H TRP 43 H TRP 43 -5.566 5.851 10.481 320 HA TRP 43 HA TRP 43 -2.786 4.999 10.058 321 1HB TRP 43 2HB TRP 43 -4.174 7.467 9.016 322 2HB TRP 43 1HB TRP 43 -2.570 6.907 8.575 323 HD1 TRP 43 HD TRP 43 -5.010 4.071 8.643 324 HE1 TRP 43 1HE TRP 43 -5.718 3.475 6.245 325 HE3 TRP 43 3HE TRP 43 -3.056 8.105 6.228 326 HZ2 TRP 43 2HZ TRP 43 -5.469 4.585 3.656 327 HZ3 TRP 43 3HZ TRP 43 -3.318 8.271 3.796 328 HH2 TRP 43 HH TRP 43 -4.502 6.545 2.531 329 H THR 44 H THR 44 -1.175 5.781 11.259 330 HA THR 44 HA THR 44 -1.702 8.121 12.969 331 HB THR 44 HB THR 44 0.122 7.261 14.417 332 HG1 THR 44 1HG THR 44 0.026 4.986 12.733 333 1HG2 THR 44 1HG2 THR 44 -2.443 6.307 14.337 334 2HG2 THR 44 2HG2 THR 44 -1.270 6.016 15.621 335 3HG2 THR 44 3HG2 THR 44 -1.473 4.835 14.327 336 H TYR 45 H TYR 45 -0.257 9.847 12.870 337 HA TYR 45 HA TYR 45 1.714 9.666 10.690 338 1HB TYR 45 2HB TYR 45 -0.172 11.280 10.406 339 2HB TYR 45 1HB TYR 45 0.420 12.156 11.811 340 HD1 TYR 45 1HD TYR 45 2.633 10.633 9.280 341 HD2 TYR 45 2HD TYR 45 0.836 14.222 10.687 342 HE1 TYR 45 1HE TYR 45 4.120 11.941 7.825 343 HE2 TYR 45 2HE TYR 45 2.319 15.541 9.235 344 HH TYR 45 HH TYR 45 4.423 15.347 8.091 345 H ASP 46 H ASP 46 3.794 10.354 10.953 346 HA ASP 46 HA ASP 46 4.596 11.164 13.671 347 1HB ASP 46 2HB ASP 46 5.249 8.832 13.242 348 2HB ASP 46 1HB ASP 46 6.101 9.335 11.785 349 H ASP 47 H ASP 47 4.466 13.360 12.908 350 HA ASP 47 HA ASP 47 5.628 14.508 10.724 351 1HB ASP 47 2HB ASP 47 5.651 15.657 13.524 352 2HB ASP 47 1HB ASP 47 5.828 16.573 12.031 353 H ALA 48 H ALA 48 7.239 13.427 13.649 354 HA ALA 48 HA ALA 48 9.686 14.643 13.466 355 1HB ALA 48 1HB ALA 48 9.934 13.393 15.279 356 2HB ALA 48 2HB ALA 48 10.246 12.004 14.239 357 3HB ALA 48 3HB ALA 48 8.605 12.343 14.789 358 H THR 49 H THR 49 8.481 12.007 11.484 359 HA THR 49 HA THR 49 10.996 12.133 9.955 360 HB THR 49 HB THR 49 10.755 9.724 9.465 361 HG1 THR 49 1HG THR 49 8.592 9.928 11.279 362 1HG2 THR 49 1HG2 THR 49 10.946 10.526 12.342 363 2HG2 THR 49 2HG2 THR 49 12.240 10.087 11.228 364 3HG2 THR 49 3HG2 THR 49 11.129 8.853 11.819 365 H LYS 50 H LYS 50 8.085 13.225 9.714 366 HA LYS 50 HA LYS 50 6.517 13.550 8.067 367 1HB LYS 50 2HB LYS 50 8.975 13.206 6.351 368 2HB LYS 50 1HB LYS 50 7.459 13.934 5.833 369 1HG LYS 50 2HG LYS 50 8.067 15.354 8.099 370 2HG LYS 50 1HG LYS 50 9.649 15.074 7.371 371 1HD LYS 50 2HD LYS 50 7.278 16.171 5.878 372 2HD LYS 50 1HD LYS 50 8.511 17.179 6.640 373 1HE LYS 50 2HE LYS 50 9.026 16.952 4.304 374 2HE LYS 50 1HE LYS 50 10.224 16.062 5.239 375 1HZ LYS 50 1HZ LYS 50 9.344 14.034 4.585 376 2HZ LYS 50 2HZ LYS 50 9.225 14.958 3.176 377 3HZ LYS 50 3HZ LYS 50 7.855 14.695 4.130 378 H THR 51 H THR 51 6.646 10.884 8.977 379 HA THR 51 HA THR 51 5.952 9.428 6.515 380 HB THR 51 HB THR 51 7.262 8.325 9.005 381 HG1 THR 51 1HG THR 51 8.275 8.490 6.367 382 1HG2 THR 51 1HG2 THR 51 6.627 6.307 8.393 383 2HG2 THR 51 2HG2 THR 51 7.444 6.531 6.846 384 3HG2 THR 51 3HG2 THR 51 5.747 6.979 7.019 385 H PHE 52 H PHE 52 4.177 8.117 6.546 386 HA PHE 52 HA PHE 52 2.413 8.361 8.900 387 1HB PHE 52 2HB PHE 52 1.551 7.819 6.050 388 2HB PHE 52 1HB PHE 52 0.526 8.235 7.416 389 HD1 PHE 52 1HD PHE 52 -0.295 10.373 7.465 390 HD2 PHE 52 2HD PHE 52 3.455 9.662 5.584 391 HE1 PHE 52 1HE PHE 52 -0.181 12.742 6.802 392 HE2 PHE 52 2HE PHE 52 3.577 12.030 4.928 393 HZ PHE 52 HZ PHE 52 1.761 13.572 5.539 394 H THR 53 H THR 53 1.328 6.492 9.622 395 HA THR 53 HA THR 53 2.196 3.978 8.371 396 HB THR 53 HB THR 53 1.842 3.034 10.770 397 HG1 THR 53 1HG THR 53 2.159 4.471 12.391 398 1HG2 THR 53 1HG2 THR 53 4.216 3.917 11.398 399 2HG2 THR 53 2HG2 THR 53 4.205 4.492 9.730 400 3HG2 THR 53 3HG2 THR 53 3.987 2.772 10.073 401 H VAL 54 H VAL 54 0.661 2.665 7.725 402 HA VAL 54 HA VAL 54 -2.105 3.208 8.576 403 HB VAL 54 HB VAL 54 -1.165 1.747 6.102 404 1HG1 VAL 54 1HG1 VAL 54 -3.264 0.996 6.075 405 2HG1 VAL 54 2HG1 VAL 54 -3.737 2.649 5.685 406 3HG1 VAL 54 3HG1 VAL 54 -3.764 2.097 7.361 407 1HG2 VAL 54 1HG2 VAL 54 -1.428 3.677 4.859 408 2HG2 VAL 54 2HG2 VAL 54 -0.705 4.292 6.345 409 3HG2 VAL 54 3HG2 VAL 54 -2.440 4.450 6.078 410 H THR 55 H THR 55 -2.806 1.829 10.088 411 HA THR 55 HA THR 55 -1.723 -0.889 10.107 412 HB THR 55 HB THR 55 -3.331 0.475 12.266 413 HG1 THR 55 1HG THR 55 -1.510 1.582 12.365 414 1HG2 THR 55 1HG2 THR 55 -3.394 -1.880 12.580 415 2HG2 THR 55 2HG2 THR 55 -2.211 -1.224 13.712 416 3HG2 THR 55 3HG2 THR 55 -1.670 -2.029 12.236 417 H GLU 56 H GLU 56 -2.867 -2.292 8.969 418 HA GLU 56 HA GLU 56 -5.509 -2.033 8.154 419 1HB GLU 56 2HB GLU 56 -3.699 -3.628 7.302 420 2HB GLU 56 1HB GLU 56 -4.140 -4.677 8.641 421 1HG GLU 56 2HG GLU 56 -5.997 -3.775 6.454 422 2HG GLU 56 1HG GLU 56 -5.182 -5.333 6.522 423 1H MET 1 1HT MET 1 7.797 19.477 -2.219 424 2H MET 1 2HT MET 1 6.745 18.290 -2.806 425 3H MET 1 3HT MET 1 8.419 18.072 -2.929 426 HA MET 1 HA MET 1 8.658 17.861 -0.585 427 1HB MET 1 2HB MET 1 6.702 19.557 -0.310 428 2HB MET 1 1HB MET 1 5.676 18.138 -0.324 429 1HG MET 1 2HG MET 1 7.562 19.098 1.753 430 2HG MET 1 1HG MET 1 5.945 18.458 1.905 431 1HE MET 1 1HE MET 1 9.686 16.029 1.134 432 2HE MET 1 2HE MET 1 9.825 17.023 2.573 433 3HE MET 1 3HE MET 1 9.506 17.774 1.012 434 H GLN 2 H GLN 2 9.102 15.751 -0.563 435 HA GLN 2 HA GLN 2 7.108 13.843 -1.536 436 1HB GLN 2 2HB GLN 2 9.352 13.681 -2.520 437 2HB GLN 2 1HB GLN 2 10.042 13.452 -0.920 438 1HG GLN 2 2HG GLN 2 8.808 11.362 -0.680 439 2HG GLN 2 1HG GLN 2 8.103 11.595 -2.280 440 1HE2 GLN 2 1HE2 GLN 2 10.399 9.969 -0.660 441 2HE2 GLN 2 2HE2 GLN 2 11.533 9.686 -1.932 442 H TYR 3 H TYR 3 6.244 12.288 -0.241 443 HA TYR 3 HA TYR 3 7.046 12.333 2.594 444 1HB TYR 3 2HB TYR 3 4.268 12.092 1.425 445 2HB TYR 3 1HB TYR 3 4.648 11.774 3.114 446 HD1 TYR 3 1HD TYR 3 4.803 13.526 4.667 447 HD2 TYR 3 2HD TYR 3 4.667 14.422 0.511 448 HE1 TYR 3 1HE TYR 3 4.516 15.908 5.198 449 HE2 TYR 3 2HE TYR 3 4.385 16.811 1.031 450 HH TYR 3 HH TYR 3 4.236 18.347 2.636 451 H LYS 4 H LYS 4 7.219 10.388 3.655 452 HA LYS 4 HA LYS 4 7.075 8.018 1.916 453 1HB LYS 4 2HB LYS 4 9.291 8.473 2.829 454 2HB LYS 4 1HB LYS 4 8.639 8.484 4.461 455 1HG LYS 4 2HG LYS 4 8.056 6.121 4.249 456 2HG LYS 4 1HG LYS 4 8.701 6.111 2.606 457 1HD LYS 4 2HD LYS 4 10.916 6.696 3.480 458 2HD LYS 4 1HD LYS 4 10.267 6.696 5.121 459 1HE LYS 4 2HE LYS 4 10.357 4.332 3.247 460 2HE LYS 4 1HE LYS 4 11.429 4.604 4.621 461 1HZ LYS 4 1HZ LYS 4 9.896 3.277 5.602 462 2HZ LYS 4 2HZ LYS 4 8.635 3.756 4.582 463 3HZ LYS 4 3HZ LYS 4 9.117 4.756 5.857 464 H VAL 5 H VAL 5 5.194 6.981 2.149 465 HA VAL 5 HA VAL 5 3.928 6.906 4.779 466 HB VAL 5 HB VAL 5 2.850 5.954 2.120 467 1HG1 VAL 5 1HG1 VAL 5 1.875 5.751 4.881 468 2HG1 VAL 5 2HG1 VAL 5 1.458 4.800 3.455 469 3HG1 VAL 5 3HG1 VAL 5 0.695 6.368 3.722 470 1HG2 VAL 5 1HG2 VAL 5 1.339 8.105 3.009 471 2HG2 VAL 5 2HG2 VAL 5 2.518 8.114 1.697 472 3HG2 VAL 5 3HG2 VAL 5 3.009 8.581 3.325 473 H ILE 6 H ILE 6 3.708 5.118 5.958 474 HA ILE 6 HA ILE 6 4.998 2.663 4.982 475 HB ILE 6 HB ILE 6 4.670 3.739 7.788 476 1HG1 ILE 6 2HG1 ILE 6 7.134 3.216 6.121 477 2HG1 ILE 6 1HG1 ILE 6 6.428 4.798 6.426 478 1HG2 ILE 6 1HG2 ILE 6 4.699 1.082 7.148 479 2HG2 ILE 6 2HG2 ILE 6 5.195 1.776 8.689 480 3HG2 ILE 6 3HG2 ILE 6 6.401 1.421 7.453 481 1HD1 ILE 6 1HD1 ILE 6 7.744 2.955 8.396 482 2HD1 ILE 6 2HD1 ILE 6 6.816 4.377 8.870 483 3HD1 ILE 6 3HD1 ILE 6 8.268 4.559 7.887 484 H LEU 7 H LEU 7 3.775 0.881 4.767 485 HA LEU 7 HA LEU 7 1.031 0.965 5.826 486 1HB LEU 7 2HB LEU 7 1.989 -0.887 3.666 487 2HB LEU 7 1HB LEU 7 0.359 -0.320 3.983 488 HG LEU 7 HG LEU 7 2.610 1.322 2.842 489 1HD1 LEU 7 1HD1 LEU 7 1.268 1.339 0.817 490 2HD1 LEU 7 2HD1 LEU 7 0.056 0.317 1.592 491 3HD1 LEU 7 3HD1 LEU 7 1.674 -0.311 1.282 492 1HD2 LEU 7 1HD2 LEU 7 1.171 2.659 4.283 493 2HD2 LEU 7 2HD2 LEU 7 -0.252 2.073 3.426 494 3HD2 LEU 7 3HD2 LEU 7 0.929 3.080 2.588 495 H ASN 8 H ASN 8 1.101 -0.009 7.797 496 HA ASN 8 HA ASN 8 2.460 -2.605 8.022 497 1HB ASN 8 2HB ASN 8 1.607 -0.641 10.152 498 2HB ASN 8 1HB ASN 8 2.258 -2.243 10.496 499 1HD2 ASN 8 1HD2 ASN 8 4.315 -2.231 10.993 500 2HD2 ASN 8 2HD2 ASN 8 5.505 -1.134 10.390 501 H GLY 9 H GLY 9 1.060 -4.220 7.544 502 1HA GLY 9 2HA GLY 9 -1.645 -4.054 8.714 503 2HA GLY 9 1HA GLY 9 -1.241 -4.971 7.271 504 H LYS 10 H LYS 10 -2.434 -6.635 8.539 505 HA LYS 10 HA LYS 10 -1.231 -7.770 10.855 506 1HB LYS 10 2HB LYS 10 -3.362 -8.688 8.951 507 2HB LYS 10 1HB LYS 10 -2.751 -9.758 10.202 508 1HG LYS 10 2HG LYS 10 -4.834 -8.600 10.828 509 2HG LYS 10 1HG LYS 10 -3.497 -8.274 11.927 510 1HD LYS 10 2HD LYS 10 -3.968 -6.394 9.666 511 2HD LYS 10 1HD LYS 10 -5.067 -6.344 11.044 512 1HE LYS 10 2HE LYS 10 -3.137 -6.048 12.543 513 2HE LYS 10 1HE LYS 10 -2.066 -6.042 11.148 514 1HZ LYS 10 1HZ LYS 10 -4.183 -4.058 11.763 515 2HZ LYS 10 2HZ LYS 10 -3.292 -4.083 10.325 516 3HZ LYS 10 3HZ LYS 10 -2.508 -3.803 11.799 517 H THR 11 H THR 11 -1.425 -8.937 7.475 518 HA THR 11 HA THR 11 0.958 -10.570 8.004 519 HB THR 11 HB THR 11 -0.002 -11.884 5.983 520 HG1 THR 11 1HG THR 11 -2.264 -11.727 5.842 521 1HG2 THR 11 1HG2 THR 11 -0.507 -13.405 7.499 522 2HG2 THR 11 2HG2 THR 11 -1.946 -12.499 7.967 523 3HG2 THR 11 3HG2 THR 11 -0.401 -12.164 8.748 524 H LEU 12 H LEU 12 0.466 -7.728 6.864 525 HA LEU 12 HA LEU 12 2.311 -8.076 4.631 526 1HB LEU 12 2HB LEU 12 0.126 -7.981 3.607 527 2HB LEU 12 1HB LEU 12 -0.271 -6.533 4.505 528 HG LEU 12 HG LEU 12 1.322 -5.242 3.251 529 1HD1 LEU 12 1HD1 LEU 12 2.407 -7.847 2.682 530 2HD1 LEU 12 2HD1 LEU 12 3.151 -6.263 2.525 531 3HD1 LEU 12 3HD1 LEU 12 2.181 -6.917 1.204 532 1HD2 LEU 12 1HD2 LEU 12 -0.993 -6.249 2.236 533 2HD2 LEU 12 2HD2 LEU 12 0.165 -6.696 0.985 534 3HD2 LEU 12 3HD2 LEU 12 -0.009 -5.006 1.463 535 H LYS 13 H LYS 13 3.791 -6.491 4.404 536 HA LYS 13 HA LYS 13 3.499 -4.003 5.895 537 1HB LYS 13 2HB LYS 13 5.836 -5.881 6.301 538 2HB LYS 13 1HB LYS 13 5.733 -4.242 6.932 539 1HG LYS 13 2HG LYS 13 3.787 -4.886 8.274 540 2HG LYS 13 1HG LYS 13 3.908 -6.532 7.649 541 1HD LYS 13 2HD LYS 13 6.135 -6.745 8.637 542 2HD LYS 13 1HD LYS 13 6.024 -5.094 9.251 543 1HE LYS 13 2HE LYS 13 4.089 -5.733 10.609 544 2HE LYS 13 1HE LYS 13 4.204 -7.382 9.996 545 1HZ LYS 13 1HZ LYS 13 5.226 -7.010 12.223 546 2HZ LYS 13 2HZ LYS 13 6.394 -6.039 11.478 547 3HZ LYS 13 3HZ LYS 13 6.276 -7.679 11.076 548 H GLY 14 H GLY 14 4.802 -2.298 5.081 549 1HA GLY 14 2HA GLY 14 6.831 -2.702 3.146 550 2HA GLY 14 1HA GLY 14 5.305 -2.371 2.343 551 H GLU 15 H GLU 15 6.921 -0.620 1.623 552 HA GLU 15 HA GLU 15 6.335 1.768 3.218 553 1HB GLU 15 2HB GLU 15 9.027 1.121 1.997 554 2HB GLU 15 1HB GLU 15 8.593 2.667 2.707 555 1HG GLU 15 2HG GLU 15 9.868 1.486 4.309 556 2HG GLU 15 1HG GLU 15 8.195 1.474 4.863 557 H THR 16 H THR 16 5.672 3.475 2.050 558 HA THR 16 HA THR 16 6.026 3.407 -0.855 559 HB THR 16 HB THR 16 3.853 2.621 -0.784 560 HG1 THR 16 1HG THR 16 3.402 5.386 -0.611 561 1HG2 THR 16 1HG2 THR 16 3.227 2.542 1.439 562 2HG2 THR 16 2HG2 THR 16 2.106 3.715 0.745 563 3HG2 THR 16 3HG2 THR 16 3.497 4.265 1.677 564 H THR 17 H THR 17 5.441 5.554 -1.878 565 HA THR 17 HA THR 17 5.829 7.809 -0.063 566 HB THR 17 HB THR 17 7.609 8.719 -1.562 567 HG1 THR 17 1HG THR 17 7.464 6.111 -2.652 568 1HG2 THR 17 1HG2 THR 17 8.142 6.130 -0.142 569 2HG2 THR 17 2HG2 THR 17 8.409 7.774 0.444 570 3HG2 THR 17 3HG2 THR 17 9.414 7.125 -0.853 571 H THR 18 H THR 18 4.432 9.338 -0.500 572 HA THR 18 HA THR 18 3.370 9.632 -3.246 573 HB THR 18 HB THR 18 1.691 9.108 -1.497 574 HG1 THR 18 1HG THR 18 1.173 10.480 -3.290 575 1HG2 THR 18 1HG2 THR 18 1.111 11.157 -0.009 576 2HG2 THR 18 2HG2 THR 18 2.826 11.528 -0.184 577 3HG2 THR 18 3HG2 THR 18 2.324 9.991 0.519 578 H GLU 19 H GLU 19 3.448 11.657 -4.219 579 HA GLU 19 HA GLU 19 5.138 13.656 -2.856 580 1HB GLU 19 2HB GLU 19 5.841 12.630 -5.096 581 2HB GLU 19 1HB GLU 19 4.516 13.533 -5.811 582 1HG GLU 19 2HG GLU 19 6.818 14.754 -4.301 583 2HG GLU 19 1HG GLU 19 6.711 14.629 -6.055 584 H ALA 20 H ALA 20 3.918 15.202 -1.897 585 HA ALA 20 HA ALA 20 1.814 16.449 -3.494 586 1HB ALA 20 1HB ALA 20 1.177 15.948 -0.639 587 2HB ALA 20 2HB ALA 20 1.035 14.604 -1.771 588 3HB ALA 20 3HB ALA 20 0.107 16.080 -2.035 589 H VAL 21 H VAL 21 1.258 18.538 -2.872 590 HA VAL 21 HA VAL 21 3.293 20.265 -2.232 591 HB VAL 21 HB VAL 21 0.392 20.820 -1.618 592 1HG1 VAL 21 1HG1 VAL 21 0.926 23.111 -1.953 593 2HG1 VAL 21 2HG1 VAL 21 2.542 22.715 -2.541 594 3HG1 VAL 21 3HG1 VAL 21 2.131 22.458 -0.845 595 1HG2 VAL 21 1HG2 VAL 21 1.861 20.669 -4.216 596 2HG2 VAL 21 2HG2 VAL 21 0.524 21.802 -4.020 597 3HG2 VAL 21 3HG2 VAL 21 0.254 20.073 -3.798 598 H ASP 22 H ASP 22 1.003 18.756 -0.017 599 HA ASP 22 HA ASP 22 2.773 19.447 2.191 600 1HB ASP 22 2HB ASP 22 0.988 20.318 3.613 601 2HB ASP 22 1HB ASP 22 1.167 21.299 2.163 602 H ALA 23 H ALA 23 2.049 18.346 4.266 603 HA ALA 23 HA ALA 23 1.953 15.615 3.898 604 1HB ALA 23 1HB ALA 23 2.077 15.468 6.148 605 2HB ALA 23 2HB ALA 23 0.738 16.589 6.399 606 3HB ALA 23 3HB ALA 23 2.349 17.207 6.032 607 H ALA 24 H ALA 24 -0.731 17.845 4.435 608 HA ALA 24 HA ALA 24 -2.737 15.883 4.723 609 1HB ALA 24 1HB ALA 24 -2.882 18.398 5.214 610 2HB ALA 24 2HB ALA 24 -4.299 17.625 4.507 611 3HB ALA 24 3HB ALA 24 -3.223 18.588 3.495 612 H THR 25 H THR 25 -1.808 17.810 1.850 613 HA THR 25 HA THR 25 -3.476 16.568 0.022 614 HB THR 25 HB THR 25 -1.762 17.238 -1.680 615 HG1 THR 25 1HG THR 25 0.151 17.849 -1.125 616 1HG2 THR 25 1HG2 THR 25 -2.874 19.145 -1.600 617 2HG2 THR 25 2HG2 THR 25 -1.620 19.725 -0.506 618 3HG2 THR 25 3HG2 THR 25 -3.099 19.018 0.144 619 H ALA 26 H ALA 26 -0.218 15.697 1.096 620 HA ALA 26 HA ALA 26 0.110 13.430 -0.535 621 1HB ALA 26 1HB ALA 26 2.063 13.193 0.555 622 2HB ALA 26 2HB ALA 26 1.287 13.212 2.137 623 3HB ALA 26 3HB ALA 26 1.657 14.729 1.318 624 H GLU 27 H GLU 27 -1.022 13.733 2.840 625 HA GLU 27 HA GLU 27 -1.657 11.116 3.357 626 1HB GLU 27 2HB GLU 27 -1.720 12.965 4.998 627 2HB GLU 27 1HB GLU 27 -3.187 13.564 4.238 628 1HG GLU 27 2HG GLU 27 -3.765 12.357 6.218 629 2HG GLU 27 1HG GLU 27 -4.311 11.448 4.809 630 H LYS 28 H LYS 28 -3.759 13.613 1.925 631 HA LYS 28 HA LYS 28 -6.029 12.015 1.588 632 1HB LYS 28 2HB LYS 28 -5.081 14.379 -0.038 633 2HB LYS 28 1HB LYS 28 -6.691 13.682 -0.141 634 1HG LYS 28 2HG LYS 28 -5.451 14.986 2.271 635 2HG LYS 28 1HG LYS 28 -6.714 15.660 1.243 636 1HD LYS 28 2HD LYS 28 -7.016 13.093 2.796 637 2HD LYS 28 1HD LYS 28 -7.508 14.670 3.411 638 1HE LYS 28 2HE LYS 28 -9.448 13.635 2.510 639 2HE LYS 28 1HE LYS 28 -8.968 14.903 1.386 640 1HZ LYS 28 1HZ LYS 28 -7.804 12.341 0.790 641 2HZ LYS 28 2HZ LYS 28 -8.612 13.424 -0.227 642 3HZ LYS 28 3HZ LYS 28 -9.493 12.337 0.720 643 H VAL 29 H VAL 29 -3.248 12.557 -0.511 644 HA VAL 29 HA VAL 29 -4.133 11.256 -2.801 645 HB VAL 29 HB VAL 29 -1.341 11.372 -1.638 646 1HG1 VAL 29 1HG1 VAL 29 -0.693 10.968 -4.082 647 2HG1 VAL 29 2HG1 VAL 29 -2.333 10.346 -4.273 648 3HG1 VAL 29 3HG1 VAL 29 -1.228 9.582 -3.131 649 1HG2 VAL 29 1HG2 VAL 29 -1.348 13.485 -2.312 650 2HG2 VAL 29 2HG2 VAL 29 -2.994 13.312 -2.921 651 3HG2 VAL 29 3HG2 VAL 29 -1.623 12.945 -3.968 652 H VAL 30 H VAL 30 -2.682 9.959 0.130 653 HA VAL 30 HA VAL 30 -2.472 7.285 -0.766 654 HB VAL 30 HB VAL 30 -2.872 8.235 2.072 655 1HG1 VAL 30 1HG1 VAL 30 -1.336 5.819 1.206 656 2HG1 VAL 30 2HG1 VAL 30 -3.083 5.751 1.428 657 3HG1 VAL 30 3HG1 VAL 30 -2.039 6.185 2.782 658 1HG2 VAL 30 1HG2 VAL 30 -0.612 8.511 0.245 659 2HG2 VAL 30 2HG2 VAL 30 -0.194 7.744 1.777 660 3HG2 VAL 30 3HG2 VAL 30 -0.948 9.338 1.765 661 H LYS 31 H LYS 31 -4.997 9.027 1.074 662 HA LYS 31 HA LYS 31 -6.762 6.970 1.535 663 1HB LYS 31 2HB LYS 31 -7.205 9.880 0.979 664 2HB LYS 31 1HB LYS 31 -8.577 8.802 1.179 665 1HG LYS 31 2HG LYS 31 -8.084 9.897 3.265 666 2HG LYS 31 1HG LYS 31 -7.735 8.173 3.401 667 1HD LYS 31 2HD LYS 31 -5.344 8.682 2.978 668 2HD LYS 31 1HD LYS 31 -5.748 10.399 2.993 669 1HE LYS 31 2HE LYS 31 -6.199 8.481 5.276 670 2HE LYS 31 1HE LYS 31 -4.862 9.622 5.157 671 1HZ LYS 31 1HZ LYS 31 -7.724 10.167 5.591 672 2HZ LYS 31 2HZ LYS 31 -6.728 11.356 4.920 673 3HZ LYS 31 3HZ LYS 31 -6.387 10.739 6.456 674 H GLN 32 H GLN 32 -6.451 8.937 -1.390 675 HA GLN 32 HA GLN 32 -8.549 7.607 -2.795 676 1HB GLN 32 2HB GLN 32 -7.726 9.867 -3.417 677 2HB GLN 32 1HB GLN 32 -6.193 9.156 -3.900 678 1HG GLN 32 2HG GLN 32 -7.516 9.571 -5.849 679 2HG GLN 32 1HG GLN 32 -7.366 7.833 -5.608 680 1HE2 GLN 32 1HE2 GLN 32 -9.511 9.165 -3.365 681 2HE2 GLN 32 2HE2 GLN 32 -10.980 8.798 -4.188 682 H PHE 33 H PHE 33 -5.086 7.228 -2.529 683 HA PHE 33 HA PHE 33 -4.558 5.371 -4.508 684 1HB PHE 33 2HB PHE 33 -2.895 6.562 -3.062 685 2HB PHE 33 1HB PHE 33 -3.321 5.477 -1.745 686 HD1 PHE 33 1HD PHE 33 -1.809 5.670 -5.094 687 HD2 PHE 33 2HD PHE 33 -2.362 3.306 -1.586 688 HE1 PHE 33 1HE PHE 33 -0.096 4.094 -5.875 689 HE2 PHE 33 2HE PHE 33 -0.648 1.730 -2.381 690 HZ PHE 33 HZ PHE 33 0.487 2.128 -4.533 691 H PHE 34 H PHE 34 -5.313 4.725 -1.108 692 HA PHE 34 HA PHE 34 -5.624 1.899 -1.548 693 1HB PHE 34 2HB PHE 34 -6.209 3.595 0.875 694 2HB PHE 34 1HB PHE 34 -6.317 1.832 0.836 695 HD1 PHE 34 1HD PHE 34 -4.048 1.059 -0.762 696 HD2 PHE 34 2HD PHE 34 -4.358 4.109 2.182 697 HE1 PHE 34 1HE PHE 34 -1.628 0.916 -0.374 698 HE2 PHE 34 2HE PHE 34 -1.933 3.964 2.588 699 HZ PHE 34 HZ PHE 34 -0.572 2.374 1.290 700 H ASN 35 H ASN 35 -7.829 4.609 -1.130 701 HA ASN 35 HA ASN 35 -10.251 3.298 -0.881 702 1HB ASN 35 2HB ASN 35 -10.078 5.727 -0.795 703 2HB ASN 35 1HB ASN 35 -9.581 5.784 -2.483 704 1HD2 ASN 35 1HD2 ASN 35 -11.986 6.652 -0.704 705 2HD2 ASN 35 2HD2 ASN 35 -13.343 6.282 -1.704 706 H ASP 36 H ASP 36 -8.301 3.912 -3.720 707 HA ASP 36 HA ASP 36 -10.206 2.548 -5.460 708 1HB ASP 36 2HB ASP 36 -7.671 4.048 -6.114 709 2HB ASP 36 1HB ASP 36 -8.739 3.318 -7.308 710 H ASN 37 H ASN 37 -7.085 1.907 -3.989 711 HA ASN 37 HA ASN 37 -6.443 -0.238 -5.802 712 1HB ASN 37 2HB ASN 37 -5.309 0.492 -3.094 713 2HB ASN 37 1HB ASN 37 -4.728 -0.861 -4.056 714 1HD2 ASN 37 1HD2 ASN 37 -3.499 1.705 -3.124 715 2HD2 ASN 37 2HD2 ASN 37 -2.835 2.409 -4.557 716 H GLY 38 H GLY 38 -7.866 0.104 -2.647 717 1HA GLY 38 2HA GLY 38 -8.275 -1.880 -1.224 718 2HA GLY 38 1HA GLY 38 -9.724 -1.306 -2.017 719 H VAL 39 H VAL 39 -10.927 -2.843 -2.784 720 HA VAL 39 HA VAL 39 -9.893 -5.496 -3.077 721 HB VAL 39 HB VAL 39 -12.682 -4.442 -3.404 722 1HG1 VAL 39 1HG1 VAL 39 -12.792 -6.427 -4.588 723 2HG1 VAL 39 2HG1 VAL 39 -13.179 -6.963 -2.951 724 3HG1 VAL 39 3HG1 VAL 39 -11.555 -7.205 -3.599 725 1HG2 VAL 39 1HG2 VAL 39 -12.910 -5.740 -1.194 726 2HG2 VAL 39 2HG2 VAL 39 -12.130 -4.158 -1.170 727 3HG2 VAL 39 3HG2 VAL 39 -11.152 -5.625 -1.124 728 H ASP 40 H ASP 40 -11.740 -3.446 -5.409 729 HA ASP 40 HA ASP 40 -11.106 -5.374 -7.468 730 1HB ASP 40 2HB ASP 40 -12.751 -2.847 -7.550 731 2HB ASP 40 1HB ASP 40 -12.588 -3.988 -8.881 732 H GLY 41 H GLY 41 -8.909 -3.641 -6.393 733 1HA GLY 41 2HA GLY 41 -8.272 -1.678 -8.336 734 2HA GLY 41 1HA GLY 41 -7.135 -2.431 -7.226 735 H GLU 42 H GLU 42 -6.917 -1.731 -10.119 736 HA GLU 42 HA GLU 42 -6.853 -4.202 -11.580 737 1HB GLU 42 2HB GLU 42 -5.559 -1.538 -12.199 738 2HB GLU 42 1HB GLU 42 -5.694 -2.884 -13.320 739 1HG GLU 42 2HG GLU 42 -7.994 -1.358 -12.120 740 2HG GLU 42 1HG GLU 42 -7.367 -1.170 -13.756 741 H TRP 43 H TRP 43 -5.556 -5.661 -10.470 742 HA TRP 43 HA TRP 43 -2.764 -4.878 -10.008 743 1HB TRP 43 2HB TRP 43 -4.225 -7.312 -8.986 744 2HB TRP 43 1HB TRP 43 -2.614 -6.791 -8.522 745 HD1 TRP 43 HD TRP 43 -4.985 -3.896 -8.625 746 HE1 TRP 43 1HE TRP 43 -5.712 -3.283 -6.237 747 HE3 TRP 43 3HE TRP 43 -3.163 -7.976 -6.183 748 HZ2 TRP 43 2HZ TRP 43 -5.527 -4.399 -3.643 749 HZ3 TRP 43 3HZ TRP 43 -3.463 -8.135 -3.755 750 HH2 TRP 43 HH TRP 43 -4.625 -6.381 -2.506 751 H THR 44 H THR 44 -1.154 -5.698 -11.186 752 HA THR 44 HA THR 44 -1.714 -8.025 -12.903 753 HB THR 44 HB THR 44 0.149 -7.209 -14.325 754 HG1 THR 44 1HG THR 44 0.084 -4.930 -12.643 755 1HG2 THR 44 1HG2 THR 44 -2.393 -6.195 -14.281 756 2HG2 THR 44 2HG2 THR 44 -1.193 -5.933 -15.547 757 3HG2 THR 44 3HG2 THR 44 -1.386 -4.746 -14.258 758 H TYR 45 H TYR 45 -0.313 -9.787 -12.786 759 HA TYR 45 HA TYR 45 1.631 -9.654 -10.579 760 1HB TYR 45 2HB TYR 45 -0.299 -11.222 -10.320 761 2HB TYR 45 1HB TYR 45 0.293 -12.112 -11.718 762 HD1 TYR 45 1HD TYR 45 2.503 -10.643 -9.156 763 HD2 TYR 45 2HD TYR 45 0.641 -14.187 -10.589 764 HE1 TYR 45 1HE TYR 45 3.939 -11.986 -7.680 765 HE2 TYR 45 2HE TYR 45 2.071 -15.540 -9.117 766 HH TYR 45 HH TYR 45 4.163 -15.400 -7.943 767 H ASP 46 H ASP 46 3.696 -10.393 -10.811 768 HA ASP 46 HA ASP 46 4.516 -11.222 -13.516 769 1HB ASP 46 2HB ASP 46 5.220 -8.907 -13.078 770 2HB ASP 46 1HB ASP 46 6.039 -9.428 -11.610 771 H ASP 47 H ASP 47 4.321 -13.414 -12.759 772 HA ASP 47 HA ASP 47 5.424 -14.589 -10.557 773 1HB ASP 47 2HB ASP 47 5.460 -15.738 -13.357 774 2HB ASP 47 1HB ASP 47 5.592 -16.659 -11.862 775 H ALA 48 H ALA 48 7.105 -13.549 -13.460 776 HA ALA 48 HA ALA 48 9.516 -14.824 -13.242 777 1HB ALA 48 1HB ALA 48 9.822 -13.581 -15.050 778 2HB ALA 48 2HB ALA 48 10.153 -12.200 -14.004 779 3HB ALA 48 3HB ALA 48 8.514 -12.498 -14.579 780 H THR 49 H THR 49 8.350 -12.155 -11.280 781 HA THR 49 HA THR 49 10.837 -12.346 -9.712 782 HB THR 49 HB THR 49 10.650 -9.931 -9.224 783 HG1 THR 49 1HG THR 49 8.509 -10.082 -11.069 784 1HG2 THR 49 1HG2 THR 49 10.863 -10.738 -12.101 785 2HG2 THR 49 2HG2 THR 49 12.150 -10.330 -10.968 786 3HG2 THR 49 3HG2 THR 49 11.078 -9.068 -11.574 787 H LYS 50 H LYS 50 7.898 -13.364 -9.515 788 HA LYS 50 HA LYS 50 6.293 -13.649 -7.894 789 1HB LYS 50 2HB LYS 50 8.734 -13.371 -6.138 790 2HB LYS 50 1HB LYS 50 7.191 -14.058 -5.644 791 1HG LYS 50 2HG LYS 50 7.796 -15.500 -7.896 792 2HG LYS 50 1HG LYS 50 9.377 -15.253 -7.151 793 1HD LYS 50 2HD LYS 50 6.966 -16.291 -5.683 794 2HD LYS 50 1HD LYS 50 8.182 -17.330 -6.425 795 1HE LYS 50 2HE LYS 50 8.678 -17.104 -4.084 796 2HE LYS 50 1HE LYS 50 9.904 -16.244 -5.009 797 1HZ LYS 50 1HZ LYS 50 9.071 -14.200 -4.365 798 2HZ LYS 50 2HZ LYS 50 8.893 -15.120 -2.959 799 3HZ LYS 50 3HZ LYS 50 7.553 -14.818 -3.944 800 H THR 51 H THR 51 6.499 -10.990 -8.796 801 HA THR 51 HA THR 51 5.814 -9.517 -6.344 802 HB THR 51 HB THR 51 7.182 -8.447 -8.818 803 HG1 THR 51 1HG THR 51 8.152 -8.636 -6.164 804 1HG2 THR 51 1HG2 THR 51 6.588 -6.413 -8.211 805 2HG2 THR 51 2HG2 THR 51 7.380 -6.656 -6.655 806 3HG2 THR 51 3HG2 THR 51 5.675 -7.062 -6.849 807 H PHE 52 H PHE 52 4.071 -8.161 -6.399 808 HA PHE 52 HA PHE 52 2.335 -8.367 -8.776 809 1HB PHE 52 2HB PHE 52 1.446 -7.801 -5.940 810 2HB PHE 52 1HB PHE 52 0.429 -8.192 -7.319 811 HD1 PHE 52 1HD PHE 52 -0.442 -10.311 -7.382 812 HD2 PHE 52 2HD PHE 52 3.299 -9.692 -5.448 813 HE1 PHE 52 1HE PHE 52 -0.395 -12.682 -6.717 814 HE2 PHE 52 2HE PHE 52 3.353 -12.061 -4.790 815 HZ PHE 52 HZ PHE 52 1.506 -13.558 -5.426 816 H THR 53 H THR 53 1.306 -6.469 -9.514 817 HA THR 53 HA THR 53 2.218 -3.977 -8.251 818 HB THR 53 HB THR 53 1.921 -3.026 -10.656 819 HG1 THR 53 1HG THR 53 2.225 -4.470 -12.272 820 1HG2 THR 53 1HG2 THR 53 4.282 -3.967 -11.249 821 2HG2 THR 53 2HG2 THR 53 4.233 -4.542 -9.582 822 3HG2 THR 53 3HG2 THR 53 4.062 -2.818 -9.927 823 H VAL 54 H VAL 54 0.705 -2.627 -7.628 824 HA VAL 54 HA VAL 54 -2.061 -3.104 -8.518 825 HB VAL 54 HB VAL 54 -1.120 -1.666 -6.030 826 1HG1 VAL 54 1HG1 VAL 54 -3.200 -0.864 -6.033 827 2HG1 VAL 54 2HG1 VAL 54 -3.720 -2.505 -5.649 828 3HG1 VAL 54 3HG1 VAL 54 -3.708 -1.951 -7.324 829 1HG2 VAL 54 1HG2 VAL 54 -1.446 -3.589 -4.789 830 2HG2 VAL 54 2HG2 VAL 54 -0.717 -4.221 -6.266 831 3HG2 VAL 54 3HG2 VAL 54 -2.460 -4.336 -6.024 832 H THR 55 H THR 55 -2.704 -1.708 -10.038 833 HA THR 55 HA THR 55 -1.556 0.983 -10.042 834 HB THR 55 HB THR 55 -3.168 -0.341 -12.222 835 HG1 THR 55 1HG THR 55 -1.373 -1.493 -12.296 836 1HG2 THR 55 1HG2 THR 55 -3.167 2.014 -12.536 837 2HG2 THR 55 2HG2 THR 55 -1.983 1.331 -13.652 838 3HG2 THR 55 3HG2 THR 55 -1.445 2.120 -12.168 839 H GLU 56 H GLU 56 -2.682 2.411 -8.915 840 HA GLU 56 HA GLU 56 -5.338 2.216 -8.136 841 1HB GLU 56 2HB GLU 56 -3.505 3.769 -7.263 842 2HB GLU 56 1HB GLU 56 -3.901 4.827 -8.607 843 1HG GLU 56 2HG GLU 56 -5.811 3.973 -6.445 844 2HG GLU 56 1HG GLU 56 -4.955 5.510 -6.502 Start of MODEL 20 1 1H MET 1 1HT MET 1 6.615 -19.531 1.940 2 2H MET 1 2HT MET 1 5.335 -18.732 1.175 3 3H MET 1 3HT MET 1 5.969 -18.122 2.619 4 HA MET 1 HA MET 1 8.173 -17.984 1.316 5 1HB MET 1 2HB MET 1 6.844 -19.229 -0.587 6 2HB MET 1 1HB MET 1 6.281 -17.614 -0.982 7 1HG MET 1 2HG MET 1 8.889 -17.106 -0.873 8 2HG MET 1 1HG MET 1 8.965 -18.815 -1.286 9 1HE MET 1 1HE MET 1 7.819 -15.173 -3.329 10 2HE MET 1 2HE MET 1 7.153 -15.708 -1.785 11 3HE MET 1 3HE MET 1 6.249 -15.968 -3.271 12 H GLN 2 H GLN 2 8.704 -15.813 0.483 13 HA GLN 2 HA GLN 2 6.844 -13.809 1.529 14 1HB GLN 2 2HB GLN 2 9.117 -13.756 2.439 15 2HB GLN 2 1HB GLN 2 9.777 -13.595 0.817 16 1HG GLN 2 2HG GLN 2 8.671 -11.433 0.579 17 2HG GLN 2 1HG GLN 2 8.007 -11.594 2.203 18 1HE2 GLN 2 1HE2 GLN 2 9.059 -10.477 3.664 19 2HE2 GLN 2 2HE2 GLN 2 10.751 -10.122 3.663 20 H TYR 3 H TYR 3 5.858 -12.367 0.223 21 HA TYR 3 HA TYR 3 6.628 -12.392 -2.622 22 1HB TYR 3 2HB TYR 3 3.901 -12.074 -1.362 23 2HB TYR 3 1HB TYR 3 4.227 -11.725 -3.056 24 HD1 TYR 3 1HD TYR 3 4.324 -13.458 -4.657 25 HD2 TYR 3 2HD TYR 3 4.247 -14.426 -0.516 26 HE1 TYR 3 1HE TYR 3 3.986 -15.824 -5.229 27 HE2 TYR 3 2HE TYR 3 3.903 -16.798 -1.072 28 HH TYR 3 HH TYR 3 3.380 -17.858 -4.390 29 H LYS 4 H LYS 4 6.758 -10.461 -3.728 30 HA LYS 4 HA LYS 4 6.882 -8.084 -2.006 31 1HB LYS 4 2HB LYS 4 8.951 -8.715 -3.206 32 2HB LYS 4 1HB LYS 4 8.102 -8.543 -4.736 33 1HG LYS 4 2HG LYS 4 7.752 -6.168 -4.275 34 2HG LYS 4 1HG LYS 4 8.608 -6.344 -2.741 35 1HD LYS 4 2HD LYS 4 10.627 -7.024 -3.952 36 2HD LYS 4 1HD LYS 4 9.769 -6.841 -5.483 37 1HE LYS 4 2HE LYS 4 11.159 -4.893 -5.021 38 2HE LYS 4 1HE LYS 4 9.449 -4.463 -5.026 39 1HZ LYS 4 1HZ LYS 4 11.136 -4.916 -2.622 40 2HZ LYS 4 2HZ LYS 4 9.481 -4.570 -2.594 41 3HZ LYS 4 3HZ LYS 4 10.574 -3.421 -3.182 42 H VAL 5 H VAL 5 4.987 -7.039 -2.034 43 HA VAL 5 HA VAL 5 3.487 -6.884 -4.532 44 HB VAL 5 HB VAL 5 2.708 -6.005 -1.748 45 1HG1 VAL 5 1HG1 VAL 5 0.967 -6.234 -4.198 46 2HG1 VAL 5 2HG1 VAL 5 1.623 -4.716 -3.587 47 3HG1 VAL 5 3HG1 VAL 5 0.495 -5.648 -2.603 48 1HG2 VAL 5 1HG2 VAL 5 2.148 -8.117 -1.368 49 2HG2 VAL 5 2HG2 VAL 5 2.771 -8.572 -2.953 50 3HG2 VAL 5 3HG2 VAL 5 1.083 -8.097 -2.774 51 H ILE 6 H ILE 6 3.946 -5.306 -5.839 52 HA ILE 6 HA ILE 6 5.025 -2.786 -4.832 53 HB ILE 6 HB ILE 6 4.771 -3.832 -7.657 54 1HG1 ILE 6 2HG1 ILE 6 7.140 -3.584 -5.793 55 2HG1 ILE 6 1HG1 ILE 6 6.404 -5.078 -6.362 56 1HG2 ILE 6 1HG2 ILE 6 6.617 -1.618 -7.123 57 2HG2 ILE 6 2HG2 ILE 6 4.909 -1.208 -6.972 58 3HG2 ILE 6 3HG2 ILE 6 5.521 -1.890 -8.477 59 1HD1 ILE 6 1HD1 ILE 6 8.036 -3.097 -7.907 60 2HD1 ILE 6 2HD1 ILE 6 7.027 -4.306 -8.701 61 3HD1 ILE 6 3HD1 ILE 6 8.344 -4.811 -7.641 62 H LEU 7 H LEU 7 3.855 -0.985 -4.699 63 HA LEU 7 HA LEU 7 1.172 -0.957 -5.912 64 1HB LEU 7 2HB LEU 7 2.082 0.861 -3.700 65 2HB LEU 7 1HB LEU 7 0.447 0.384 -4.122 66 HG LEU 7 HG LEU 7 2.519 -1.384 -2.836 67 1HD1 LEU 7 1HD1 LEU 7 1.482 0.449 -1.447 68 2HD1 LEU 7 2HD1 LEU 7 1.261 -1.193 -0.849 69 3HD1 LEU 7 3HD1 LEU 7 -0.062 -0.369 -1.677 70 1HD2 LEU 7 1HD2 LEU 7 0.872 -3.086 -2.766 71 2HD2 LEU 7 2HD2 LEU 7 0.923 -2.503 -4.429 72 3HD2 LEU 7 3HD2 LEU 7 -0.382 -1.994 -3.359 73 H ASN 8 H ASN 8 1.432 0.016 -7.887 74 HA ASN 8 HA ASN 8 3.017 2.482 -8.013 75 1HB ASN 8 2HB ASN 8 2.165 0.493 -10.098 76 2HB ASN 8 1HB ASN 8 2.748 2.093 -10.541 77 1HD2 ASN 8 1HD2 ASN 8 4.734 1.938 -11.236 78 2HD2 ASN 8 2HD2 ASN 8 5.999 1.006 -10.516 79 H GLY 9 H GLY 9 1.856 4.263 -7.691 80 1HA GLY 9 2HA GLY 9 -0.745 4.454 -9.062 81 2HA GLY 9 1HA GLY 9 -0.362 5.293 -7.563 82 H LYS 10 H LYS 10 -1.260 7.030 -9.173 83 HA LYS 10 HA LYS 10 0.632 7.981 -11.104 84 1HB LYS 10 2HB LYS 10 -1.883 9.202 -9.964 85 2HB LYS 10 1HB LYS 10 -0.889 10.004 -11.167 86 1HG LYS 10 2HG LYS 10 -2.729 8.962 -12.268 87 2HG LYS 10 1HG LYS 10 -1.259 8.084 -12.687 88 1HD LYS 10 2HD LYS 10 -1.806 6.346 -11.089 89 2HD LYS 10 1HD LYS 10 -3.228 7.247 -10.558 90 1HE LYS 10 2HE LYS 10 -4.176 7.055 -12.812 91 2HE LYS 10 1HE LYS 10 -2.760 6.137 -13.324 92 1HZ LYS 10 1HZ LYS 10 -4.375 4.547 -12.835 93 2HZ LYS 10 2HZ LYS 10 -4.878 5.335 -11.426 94 3HZ LYS 10 3HZ LYS 10 -3.381 4.548 -11.466 95 H THR 11 H THR 11 -0.517 9.125 -7.943 96 HA THR 11 HA THR 11 1.777 10.930 -7.770 97 HB THR 11 HB THR 11 0.376 11.828 -5.804 98 HG1 THR 11 1HG THR 11 -1.893 11.371 -6.136 99 1HG2 THR 11 1HG2 THR 11 -1.412 12.702 -7.627 100 2HG2 THR 11 2HG2 THR 11 -0.082 12.202 -8.671 101 3HG2 THR 11 3HG2 THR 11 0.195 13.389 -7.396 102 H LEU 12 H LEU 12 1.036 7.870 -6.887 103 HA LEU 12 HA LEU 12 2.761 8.054 -4.534 104 1HB LEU 12 2HB LEU 12 0.467 7.936 -3.717 105 2HB LEU 12 1HB LEU 12 0.186 6.492 -4.670 106 HG LEU 12 HG LEU 12 1.660 5.206 -3.302 107 1HD1 LEU 12 1HD1 LEU 12 3.466 6.220 -2.501 108 2HD1 LEU 12 2HD1 LEU 12 2.440 6.829 -1.200 109 3HD1 LEU 12 3HD1 LEU 12 2.722 7.808 -2.635 110 1HD2 LEU 12 1HD2 LEU 12 0.446 6.589 -1.055 111 2HD2 LEU 12 2HD2 LEU 12 0.170 4.959 -1.664 112 3HD2 LEU 12 3HD2 LEU 12 -0.683 6.325 -2.382 113 H LYS 13 H LYS 13 4.222 6.485 -4.308 114 HA LYS 13 HA LYS 13 4.033 4.057 -5.914 115 1HB LYS 13 2HB LYS 13 6.506 5.794 -5.964 116 2HB LYS 13 1HB LYS 13 6.253 4.293 -6.842 117 1HG LYS 13 2HG LYS 13 5.886 5.823 -8.497 118 2HG LYS 13 1HG LYS 13 4.245 5.598 -7.891 119 1HD LYS 13 2HD LYS 13 4.659 7.950 -8.187 120 2HD LYS 13 1HD LYS 13 4.544 7.600 -6.464 121 1HE LYS 13 2HE LYS 13 6.975 7.598 -6.288 122 2HE LYS 13 1HE LYS 13 7.109 7.902 -8.019 123 1HZ LYS 13 1HZ LYS 13 6.454 10.059 -7.783 124 2HZ LYS 13 2HZ LYS 13 7.226 9.845 -6.294 125 3HZ LYS 13 3HZ LYS 13 5.538 9.767 -6.391 126 H GLY 14 H GLY 14 5.101 2.296 -4.981 127 1HA GLY 14 2HA GLY 14 7.019 2.577 -2.906 128 2HA GLY 14 1HA GLY 14 5.427 2.312 -2.220 129 H GLU 15 H GLU 15 6.936 0.479 -1.430 130 HA GLU 15 HA GLU 15 6.279 -1.868 -3.044 131 1HB GLU 15 2HB GLU 15 9.012 -1.342 -1.852 132 2HB GLU 15 1HB GLU 15 8.500 -2.864 -2.563 133 1HG GLU 15 2HG GLU 15 9.805 -1.758 -4.183 134 2HG GLU 15 1HG GLU 15 8.128 -1.625 -4.709 135 H THR 16 H THR 16 5.581 -3.561 -1.863 136 HA THR 16 HA THR 16 6.004 -3.511 1.030 137 HB THR 16 HB THR 16 3.882 -2.617 1.046 138 HG1 THR 16 1HG THR 16 3.291 -5.356 0.866 139 1HG2 THR 16 1HG2 THR 16 2.052 -3.167 -0.412 140 2HG2 THR 16 2HG2 THR 16 3.029 -4.391 -1.218 141 3HG2 THR 16 3HG2 THR 16 3.456 -2.690 -1.365 142 H THR 17 H THR 17 5.375 -5.637 2.064 143 HA THR 17 HA THR 17 5.614 -7.891 0.213 144 HB THR 17 HB THR 17 7.429 -8.869 1.606 145 HG1 THR 17 1HG THR 17 7.549 -6.271 2.730 146 1HG2 THR 17 1HG2 THR 17 8.573 -6.280 0.801 147 2HG2 THR 17 2HG2 THR 17 7.734 -7.192 -0.452 148 3HG2 THR 17 3HG2 THR 17 9.085 -7.921 0.413 149 H THR 18 H THR 18 4.138 -9.328 0.671 150 HA THR 18 HA THR 18 3.196 -9.673 3.454 151 HB THR 18 HB THR 18 1.467 -9.055 1.778 152 HG1 THR 18 1HG THR 18 0.964 -10.433 3.565 153 1HG2 THR 18 1HG2 THR 18 2.135 -9.967 -0.262 154 2HG2 THR 18 2HG2 THR 18 0.739 -10.930 0.224 155 3HG2 THR 18 3HG2 THR 18 2.368 -11.573 0.431 156 H GLU 19 H GLU 19 3.132 -11.772 4.330 157 HA GLU 19 HA GLU 19 4.766 -13.756 2.883 158 1HB GLU 19 2HB GLU 19 5.677 -13.032 5.047 159 2HB GLU 19 1HB GLU 19 4.185 -13.510 5.844 160 1HG GLU 19 2HG GLU 19 4.593 -15.834 5.227 161 2HG GLU 19 1HG GLU 19 6.083 -15.358 4.415 162 H ALA 20 H ALA 20 3.531 -15.233 1.865 163 HA ALA 20 HA ALA 20 1.372 -16.491 3.382 164 1HB ALA 20 1HB ALA 20 -0.303 -16.057 1.897 165 2HB ALA 20 2HB ALA 20 0.800 -15.858 0.536 166 3HB ALA 20 3HB ALA 20 0.637 -14.574 1.733 167 H VAL 21 H VAL 21 0.795 -18.551 2.697 168 HA VAL 21 HA VAL 21 2.814 -20.279 2.005 169 HB VAL 21 HB VAL 21 -0.097 -20.776 1.381 170 1HG1 VAL 21 1HG1 VAL 21 1.414 -22.458 0.490 171 2HG1 VAL 21 2HG1 VAL 21 0.473 -23.117 1.828 172 3HG1 VAL 21 3HG1 VAL 21 2.157 -22.656 2.077 173 1HG2 VAL 21 1HG2 VAL 21 -0.018 -21.825 3.734 174 2HG2 VAL 21 2HG2 VAL 21 -0.169 -20.073 3.597 175 3HG2 VAL 21 3HG2 VAL 21 1.393 -20.796 3.980 176 H ASP 22 H ASP 22 0.730 -18.475 -0.138 177 HA ASP 22 HA ASP 22 2.432 -19.183 -2.368 178 1HB ASP 22 2HB ASP 22 0.661 -19.993 -3.830 179 2HB ASP 22 1HB ASP 22 0.789 -21.013 -2.404 180 H ALA 23 H ALA 23 1.418 -18.124 -4.471 181 HA ALA 23 HA ALA 23 1.492 -15.365 -4.059 182 1HB ALA 23 1HB ALA 23 1.579 -17.055 -6.251 183 2HB ALA 23 2HB ALA 23 1.712 -15.297 -6.274 184 3HB ALA 23 3HB ALA 23 0.145 -16.066 -6.524 185 H ALA 24 H ALA 24 -1.279 -17.504 -4.580 186 HA ALA 24 HA ALA 24 -3.232 -15.477 -4.718 187 1HB ALA 24 1HB ALA 24 -3.342 -18.395 -4.012 188 2HB ALA 24 2HB ALA 24 -3.949 -17.578 -5.452 189 3HB ALA 24 3HB ALA 24 -4.779 -17.378 -3.908 190 H THR 25 H THR 25 -2.235 -17.517 -1.952 191 HA THR 25 HA THR 25 -3.805 -16.348 -0.004 192 HB THR 25 HB THR 25 -1.984 -17.036 1.581 193 HG1 THR 25 1HG THR 25 -0.621 -17.332 -0.822 194 1HG2 THR 25 1HG2 THR 25 -3.047 -18.968 1.521 195 2HG2 THR 25 2HG2 THR 25 -1.886 -19.486 0.296 196 3HG2 THR 25 3HG2 THR 25 -3.426 -18.774 -0.191 197 H ALA 26 H ALA 26 -0.618 -15.394 -1.216 198 HA ALA 26 HA ALA 26 -0.226 -13.175 0.462 199 1HB ALA 26 1HB ALA 26 1.298 -12.368 -1.355 200 2HB ALA 26 2HB ALA 26 0.763 -13.733 -2.335 201 3HB ALA 26 3HB ALA 26 1.618 -14.017 -0.820 202 H GLU 27 H GLU 27 -1.520 -13.359 -2.871 203 HA GLU 27 HA GLU 27 -2.216 -10.723 -3.217 204 1HB GLU 27 2HB GLU 27 -2.326 -12.398 -4.997 205 2HB GLU 27 1HB GLU 27 -3.691 -13.164 -4.198 206 1HG GLU 27 2HG GLU 27 -5.017 -11.144 -4.527 207 2HG GLU 27 1HG GLU 27 -3.649 -10.381 -5.336 208 H LYS 28 H LYS 28 -4.168 -13.340 -1.801 209 HA LYS 28 HA LYS 28 -6.472 -11.824 -1.298 210 1HB LYS 28 2HB LYS 28 -5.373 -14.209 0.203 211 2HB LYS 28 1HB LYS 28 -6.995 -13.563 0.405 212 1HG LYS 28 2HG LYS 28 -5.845 -14.771 -2.101 213 2HG LYS 28 1HG LYS 28 -7.053 -15.492 -1.035 214 1HD LYS 28 2HD LYS 28 -8.595 -13.661 -1.553 215 2HD LYS 28 1HD LYS 28 -7.387 -12.950 -2.626 216 1HE LYS 28 2HE LYS 28 -8.682 -15.657 -2.946 217 2HE LYS 28 1HE LYS 28 -9.050 -14.212 -3.889 218 1HZ LYS 28 1HZ LYS 28 -7.439 -14.777 -5.274 219 2HZ LYS 28 2HZ LYS 28 -7.038 -16.122 -4.330 220 3HZ LYS 28 3HZ LYS 28 -6.298 -14.630 -4.032 221 H VAL 29 H VAL 29 -3.601 -12.452 0.654 222 HA VAL 29 HA VAL 29 -4.421 -11.110 2.969 223 HB VAL 29 HB VAL 29 -1.637 -11.532 1.866 224 1HG1 VAL 29 1HG1 VAL 29 -2.591 -10.394 4.460 225 2HG1 VAL 29 2HG1 VAL 29 -1.303 -9.829 3.398 226 3HG1 VAL 29 3HG1 VAL 29 -1.067 -11.275 4.379 227 1HG2 VAL 29 1HG2 VAL 29 -3.368 -13.433 2.675 228 2HG2 VAL 29 2HG2 VAL 29 -2.594 -13.038 4.209 229 3HG2 VAL 29 3HG2 VAL 29 -1.618 -13.566 2.838 230 H VAL 30 H VAL 30 -2.873 -9.968 0.016 231 HA VAL 30 HA VAL 30 -2.385 -7.330 0.966 232 HB VAL 30 HB VAL 30 -2.861 -8.106 -1.913 233 1HG1 VAL 30 1HG1 VAL 30 -1.784 -6.156 -2.493 234 2HG1 VAL 30 2HG1 VAL 30 -0.899 -6.067 -0.970 235 3HG1 VAL 30 3HG1 VAL 30 -2.613 -5.658 -1.018 236 1HG2 VAL 30 1HG2 VAL 30 -0.944 -9.242 -2.020 237 2HG2 VAL 30 2HG2 VAL 30 -0.950 -9.255 -0.257 238 3HG2 VAL 30 3HG2 VAL 30 -0.075 -7.996 -1.127 239 H LYS 31 H LYS 31 -4.966 -8.808 -1.030 240 HA LYS 31 HA LYS 31 -6.593 -6.656 -1.473 241 1HB LYS 31 2HB LYS 31 -7.465 -9.442 -0.687 242 2HB LYS 31 1HB LYS 31 -8.529 -8.221 -1.362 243 1HG LYS 31 2HG LYS 31 -6.320 -9.732 -2.691 244 2HG LYS 31 1HG LYS 31 -8.012 -9.580 -3.163 245 1HD LYS 31 2HD LYS 31 -7.365 -7.029 -3.357 246 2HD LYS 31 1HD LYS 31 -5.746 -7.703 -3.560 247 1HE LYS 31 2HE LYS 31 -8.161 -8.437 -5.209 248 2HE LYS 31 1HE LYS 31 -6.880 -7.336 -5.712 249 1HZ LYS 31 1HZ LYS 31 -5.307 -9.199 -5.456 250 2HZ LYS 31 2HZ LYS 31 -6.477 -9.486 -6.642 251 3HZ LYS 31 3HZ LYS 31 -6.605 -10.233 -5.131 252 H GLN 32 H GLN 32 -6.612 -8.759 1.364 253 HA GLN 32 HA GLN 32 -8.547 -7.299 2.803 254 1HB GLN 32 2HB GLN 32 -8.224 -9.462 3.582 255 2HB GLN 32 1HB GLN 32 -6.479 -9.339 3.546 256 1HG GLN 32 2HG GLN 32 -8.144 -7.763 5.478 257 2HG GLN 32 1HG GLN 32 -7.648 -9.419 5.811 258 1HE2 GLN 32 1HE2 GLN 32 -5.151 -8.295 4.059 259 2HE2 GLN 32 2HE2 GLN 32 -4.163 -7.652 5.311 260 H PHE 33 H PHE 33 -5.068 -6.997 2.507 261 HA PHE 33 HA PHE 33 -4.515 -5.234 4.584 262 1HB PHE 33 2HB PHE 33 -2.858 -6.377 3.060 263 2HB PHE 33 1HB PHE 33 -3.251 -5.180 1.832 264 HD1 PHE 33 1HD PHE 33 -2.079 -5.449 5.345 265 HD2 PHE 33 2HD PHE 33 -1.980 -3.231 1.696 266 HE1 PHE 33 1HE PHE 33 -0.374 -3.951 6.296 267 HE2 PHE 33 2HE PHE 33 -0.276 -1.739 2.656 268 HZ PHE 33 HZ PHE 33 0.528 -2.103 4.959 269 H PHE 34 H PHE 34 -5.075 -4.383 1.191 270 HA PHE 34 HA PHE 34 -5.444 -1.602 1.715 271 1HB PHE 34 2HB PHE 34 -6.147 -3.218 -0.736 272 2HB PHE 34 1HB PHE 34 -6.114 -1.454 -0.647 273 HD1 PHE 34 1HD PHE 34 -3.780 -0.834 0.849 274 HD2 PHE 34 2HD PHE 34 -4.358 -3.915 -2.020 275 HE1 PHE 34 1HE PHE 34 -1.364 -0.873 0.420 276 HE2 PHE 34 2HE PHE 34 -1.937 -3.960 -2.463 277 HZ PHE 34 HZ PHE 34 -0.445 -2.442 -1.223 278 H ASN 35 H ASN 35 -7.631 -4.305 1.225 279 HA ASN 35 HA ASN 35 -10.072 -3.034 1.041 280 1HB ASN 35 2HB ASN 35 -9.764 -5.478 0.915 281 2HB ASN 35 1HB ASN 35 -9.402 -5.520 2.638 282 1HD2 ASN 35 1HD2 ASN 35 -11.592 -6.522 0.730 283 2HD2 ASN 35 2HD2 ASN 35 -13.050 -6.166 1.587 284 H ASP 36 H ASP 36 -8.087 -3.676 3.836 285 HA ASP 36 HA ASP 36 -9.982 -2.355 5.623 286 1HB ASP 36 2HB ASP 36 -7.425 -3.857 6.219 287 2HB ASP 36 1HB ASP 36 -8.463 -3.127 7.441 288 H ASN 37 H ASN 37 -6.976 -1.659 4.007 289 HA ASN 37 HA ASN 37 -6.269 0.477 5.826 290 1HB ASN 37 2HB ASN 37 -5.194 -0.258 3.095 291 2HB ASN 37 1HB ASN 37 -4.581 1.077 4.062 292 1HD2 ASN 37 1HD2 ASN 37 -3.547 -1.649 3.090 293 2HD2 ASN 37 2HD2 ASN 37 -2.813 -2.310 4.509 294 H GLY 38 H GLY 38 -7.570 0.165 2.577 295 1HA GLY 38 2HA GLY 38 -7.972 2.219 1.248 296 2HA GLY 38 1HA GLY 38 -9.443 1.527 1.893 297 H VAL 39 H VAL 39 -10.775 2.928 2.728 298 HA VAL 39 HA VAL 39 -9.722 5.515 3.665 299 HB VAL 39 HB VAL 39 -12.501 4.856 2.754 300 1HG1 VAL 39 1HG1 VAL 39 -11.194 7.281 3.786 301 2HG1 VAL 39 2HG1 VAL 39 -12.894 6.813 3.802 302 3HG1 VAL 39 3HG1 VAL 39 -12.186 7.515 2.347 303 1HG2 VAL 39 1HG2 VAL 39 -10.758 6.510 1.046 304 2HG2 VAL 39 2HG2 VAL 39 -11.968 5.305 0.606 305 3HG2 VAL 39 3HG2 VAL 39 -10.362 4.795 1.122 306 H ASP 40 H ASP 40 -10.739 2.754 5.153 307 HA ASP 40 HA ASP 40 -12.059 4.307 7.274 308 1HB ASP 40 2HB ASP 40 -12.638 1.455 6.457 309 2HB ASP 40 1HB ASP 40 -13.361 2.285 7.833 310 H GLY 41 H GLY 41 -9.196 3.116 6.673 311 1HA GLY 41 2HA GLY 41 -8.817 1.390 8.963 312 2HA GLY 41 1HA GLY 41 -7.572 1.942 7.854 313 H GLU 42 H GLU 42 -6.731 1.922 10.294 314 HA GLU 42 HA GLU 42 -7.213 4.534 11.536 315 1HB GLU 42 2HB GLU 42 -5.648 2.145 12.539 316 2HB GLU 42 1HB GLU 42 -5.933 3.625 13.442 317 1HG GLU 42 2HG GLU 42 -8.333 3.185 13.416 318 2HG GLU 42 1HG GLU 42 -8.052 1.704 12.503 319 H TRP 43 H TRP 43 -6.048 6.026 10.421 320 HA TRP 43 HA TRP 43 -3.293 5.418 9.684 321 1HB TRP 43 2HB TRP 43 -5.077 7.751 9.000 322 2HB TRP 43 1HB TRP 43 -3.430 7.546 8.417 323 HD1 TRP 43 HD TRP 43 -6.314 4.936 8.501 324 HE1 TRP 43 1HE TRP 43 -6.622 4.051 6.098 325 HE3 TRP 43 3HE TRP 43 -2.882 7.865 6.115 326 HZ2 TRP 43 2HZ TRP 43 -5.546 4.537 3.536 327 HZ3 TRP 43 3HZ TRP 43 -2.580 7.597 3.693 328 HH2 TRP 43 HH TRP 43 -3.890 5.968 2.429 329 H THR 44 H THR 44 -1.651 5.992 10.917 330 HA THR 44 HA THR 44 -1.963 8.300 12.721 331 HB THR 44 HB THR 44 -0.047 7.273 13.989 332 HG1 THR 44 1HG THR 44 -0.608 4.965 12.458 333 1HG2 THR 44 1HG2 THR 44 -1.378 6.025 15.308 334 2HG2 THR 44 2HG2 THR 44 -2.068 5.129 13.955 335 3HG2 THR 44 3HG2 THR 44 -2.641 6.758 14.318 336 H TYR 45 H TYR 45 -0.525 9.989 12.546 337 HA TYR 45 HA TYR 45 1.420 9.776 10.344 338 1HB TYR 45 2HB TYR 45 -0.368 11.382 9.925 339 2HB TYR 45 1HB TYR 45 -0.002 12.211 11.433 340 HD1 TYR 45 1HD TYR 45 2.213 10.971 8.690 341 HD2 TYR 45 2HD TYR 45 0.802 14.314 10.911 342 HE1 TYR 45 1HE TYR 45 3.798 12.426 7.497 343 HE2 TYR 45 2HE TYR 45 2.382 15.778 9.724 344 HH TYR 45 HH TYR 45 3.621 15.810 7.600 345 H ASP 46 H ASP 46 3.473 10.632 10.532 346 HA ASP 46 HA ASP 46 4.334 11.386 13.245 347 1HB ASP 46 2HB ASP 46 5.105 9.110 12.712 348 2HB ASP 46 1HB ASP 46 5.865 9.708 11.241 349 H ASP 47 H ASP 47 4.029 13.579 12.554 350 HA ASP 47 HA ASP 47 5.006 14.860 10.357 351 1HB ASP 47 2HB ASP 47 5.004 15.912 13.191 352 2HB ASP 47 1HB ASP 47 5.132 16.902 11.739 353 H ALA 48 H ALA 48 6.851 13.878 13.191 354 HA ALA 48 HA ALA 48 9.169 15.309 12.890 355 1HB ALA 48 1HB ALA 48 9.288 14.062 14.770 356 2HB ALA 48 2HB ALA 48 10.210 12.988 13.717 357 3HB ALA 48 3HB ALA 48 8.504 12.668 14.027 358 H THR 49 H THR 49 8.179 12.460 11.075 359 HA THR 49 HA THR 49 10.473 12.916 9.283 360 HB THR 49 HB THR 49 10.628 10.480 8.920 361 HG1 THR 49 1HG THR 49 8.601 10.435 10.885 362 1HG2 THR 49 1HG2 THR 49 11.076 9.997 11.558 363 2HG2 THR 49 2HG2 THR 49 11.211 11.753 11.478 364 3HG2 THR 49 3HG2 THR 49 12.226 10.744 10.449 365 H LYS 50 H LYS 50 7.361 13.377 9.372 366 HA LYS 50 HA LYS 50 5.630 13.399 7.879 367 1HB LYS 50 2HB LYS 50 8.011 13.344 6.049 368 2HB LYS 50 1HB LYS 50 6.388 13.289 5.395 369 1HG LYS 50 2HG LYS 50 6.874 15.531 5.304 370 2HG LYS 50 1HG LYS 50 5.993 15.409 6.820 371 1HD LYS 50 2HD LYS 50 8.006 16.830 6.955 372 2HD LYS 50 1HD LYS 50 8.045 15.463 8.072 373 1HE LYS 50 2HE LYS 50 9.526 14.256 6.573 374 2HE LYS 50 1HE LYS 50 9.418 15.555 5.385 375 1HZ LYS 50 1HZ LYS 50 11.459 15.571 6.791 376 2HZ LYS 50 2HZ LYS 50 10.485 15.935 8.125 377 3HZ LYS 50 3HZ LYS 50 10.575 17.015 6.827 378 H THR 51 H THR 51 6.565 10.855 8.979 379 HA THR 51 HA THR 51 5.985 8.978 6.824 380 HB THR 51 HB THR 51 6.918 8.485 9.654 381 HG1 THR 51 1HG THR 51 8.487 9.477 8.341 382 1HG2 THR 51 1HG2 THR 51 5.665 6.628 8.214 383 2HG2 THR 51 2HG2 THR 51 7.020 6.267 9.283 384 3HG2 THR 51 3HG2 THR 51 7.289 6.455 7.549 385 H PHE 52 H PHE 52 4.176 7.807 6.682 386 HA PHE 52 HA PHE 52 2.150 8.161 8.792 387 1HB PHE 52 2HB PHE 52 1.736 7.546 5.855 388 2HB PHE 52 1HB PHE 52 0.463 7.768 7.050 389 HD1 PHE 52 1HD PHE 52 -0.458 9.862 7.381 390 HD2 PHE 52 2HD PHE 52 3.333 9.531 5.476 391 HE1 PHE 52 1HE PHE 52 -0.503 12.271 6.880 392 HE2 PHE 52 2HE PHE 52 3.295 11.938 4.975 393 HZ PHE 52 HZ PHE 52 1.377 13.313 5.678 394 H THR 53 H THR 53 1.487 6.370 9.846 395 HA THR 53 HA THR 53 2.305 3.786 8.717 396 HB THR 53 HB THR 53 1.961 3.021 11.180 397 HG1 THR 53 1HG THR 53 1.171 5.267 11.669 398 1HG2 THR 53 1HG2 THR 53 4.279 4.557 10.108 399 2HG2 THR 53 2HG2 THR 53 4.114 2.823 10.391 400 3HG2 THR 53 3HG2 THR 53 4.292 3.928 11.757 401 H VAL 54 H VAL 54 0.572 3.334 7.503 402 HA VAL 54 HA VAL 54 -2.109 3.395 8.599 403 HB VAL 54 HB VAL 54 -1.151 2.251 5.965 404 1HG1 VAL 54 1HG1 VAL 54 -3.464 2.349 5.276 405 2HG1 VAL 54 2HG1 VAL 54 -3.928 3.049 6.827 406 3HG1 VAL 54 3HG1 VAL 54 -3.332 1.392 6.752 407 1HG2 VAL 54 1HG2 VAL 54 -0.636 4.613 6.084 408 2HG2 VAL 54 2HG2 VAL 54 -2.279 4.973 6.611 409 3HG2 VAL 54 3HG2 VAL 54 -1.991 4.353 4.986 410 H THR 55 H THR 55 -2.864 1.806 9.843 411 HA THR 55 HA THR 55 -1.448 -0.704 9.959 412 HB THR 55 HB THR 55 -3.918 0.038 11.518 413 HG1 THR 55 1HG THR 55 -2.499 1.638 11.996 414 1HG2 THR 55 1HG2 THR 55 -3.424 -2.231 11.867 415 2HG2 THR 55 2HG2 THR 55 -2.734 -1.379 13.248 416 3HG2 THR 55 3HG2 THR 55 -1.687 -1.924 11.935 417 H GLU 56 H GLU 56 -2.559 -2.736 10.006 418 HA GLU 56 HA GLU 56 -4.363 -2.972 7.721 419 1HB GLU 56 2HB GLU 56 -2.469 -4.481 7.850 420 2HB GLU 56 1HB GLU 56 -3.024 -5.096 9.398 421 1HG GLU 56 2HG GLU 56 -5.013 -6.004 8.307 422 2HG GLU 56 1HG GLU 56 -4.435 -5.389 6.757 423 1H MET 1 1HT MET 1 7.113 19.417 -1.753 424 2H MET 1 2HT MET 1 5.803 18.650 -1.007 425 3H MET 1 3HT MET 1 6.444 18.023 -2.441 426 HA MET 1 HA MET 1 8.626 17.832 -1.108 427 1HB MET 1 2HB MET 1 7.300 19.111 0.776 428 2HB MET 1 1HB MET 1 6.692 17.508 1.164 429 1HG MET 1 2HG MET 1 9.289 16.937 1.091 430 2HG MET 1 1HG MET 1 9.401 18.644 1.504 431 1HE MET 1 1HE MET 1 8.138 15.032 3.531 432 2HE MET 1 2HE MET 1 7.506 15.583 1.978 433 3HE MET 1 3HE MET 1 6.588 15.866 3.452 434 H GLN 2 H GLN 2 9.091 15.649 -0.267 435 HA GLN 2 HA GLN 2 7.198 13.691 -1.339 436 1HB GLN 2 2HB GLN 2 9.482 13.583 -2.218 437 2HB GLN 2 1HB GLN 2 10.115 13.406 -0.588 438 1HG GLN 2 2HG GLN 2 8.953 11.271 -0.364 439 2HG GLN 2 1HG GLN 2 8.315 11.448 -1.999 440 1HE2 GLN 2 1HE2 GLN 2 9.363 10.305 -3.443 441 2HE2 GLN 2 2HE2 GLN 2 11.045 9.910 -3.419 442 H TYR 3 H TYR 3 6.160 12.273 -0.048 443 HA TYR 3 HA TYR 3 6.889 12.280 2.807 444 1HB TYR 3 2HB TYR 3 4.174 12.028 1.509 445 2HB TYR 3 1HB TYR 3 4.468 11.672 3.208 446 HD1 TYR 3 1HD TYR 3 4.583 13.403 4.810 447 HD2 TYR 3 2HD TYR 3 4.589 14.371 0.668 448 HE1 TYR 3 1HE TYR 3 4.294 15.777 5.376 449 HE2 TYR 3 2HE TYR 3 4.294 16.752 1.219 450 HH TYR 3 HH TYR 3 3.751 17.824 4.530 451 H LYS 4 H LYS 4 6.957 10.348 3.914 452 HA LYS 4 HA LYS 4 7.048 7.967 2.194 453 1HB LYS 4 2HB LYS 4 9.114 8.549 3.423 454 2HB LYS 4 1HB LYS 4 8.240 8.396 4.940 455 1HG LYS 4 2HG LYS 4 7.839 6.031 4.474 456 2HG LYS 4 1HG LYS 4 8.720 6.186 2.954 457 1HD LYS 4 2HD LYS 4 10.738 6.817 4.192 458 2HD LYS 4 1HD LYS 4 9.854 6.655 5.711 459 1HE LYS 4 2HE LYS 4 11.202 4.673 5.269 460 2HE LYS 4 1HE LYS 4 9.483 4.287 5.248 461 1HZ LYS 4 1HZ LYS 4 11.214 4.698 2.869 462 2HZ LYS 4 2HZ LYS 4 9.551 4.392 2.817 463 3HZ LYS 4 3HZ LYS 4 10.608 3.217 3.420 464 H VAL 5 H VAL 5 5.127 6.970 2.196 465 HA VAL 5 HA VAL 5 3.589 6.850 4.672 466 HB VAL 5 HB VAL 5 2.827 5.991 1.877 467 1HG1 VAL 5 1HG1 VAL 5 1.058 6.262 4.301 468 2HG1 VAL 5 2HG1 VAL 5 1.687 4.729 3.700 469 3HG1 VAL 5 3HG1 VAL 5 0.595 5.687 2.700 470 1HG2 VAL 5 1HG2 VAL 5 2.325 8.116 1.489 471 2HG2 VAL 5 2HG2 VAL 5 2.938 8.555 3.083 472 3HG2 VAL 5 3HG2 VAL 5 1.241 8.122 2.880 473 H ILE 6 H ILE 6 3.992 5.262 5.984 474 HA ILE 6 HA ILE 6 5.023 2.716 4.992 475 HB ILE 6 HB ILE 6 4.754 3.769 7.812 476 1HG1 ILE 6 2HG1 ILE 6 7.145 3.463 5.983 477 2HG1 ILE 6 1HG1 ILE 6 6.436 4.975 6.542 478 1HG2 ILE 6 1HG2 ILE 6 6.553 1.511 7.305 479 2HG2 ILE 6 2HG2 ILE 6 4.837 1.142 7.129 480 3HG2 ILE 6 3HG2 ILE 6 5.446 1.809 8.644 481 1HD1 ILE 6 1HD1 ILE 6 7.996 2.954 8.110 482 2HD1 ILE 6 2HD1 ILE 6 7.007 4.187 8.890 483 3HD1 ILE 6 3HD1 ILE 6 8.350 4.661 7.848 484 H LEU 7 H LEU 7 3.812 0.945 4.842 485 HA LEU 7 HA LEU 7 1.111 0.982 6.018 486 1HB LEU 7 2HB LEU 7 2.008 -0.857 3.817 487 2HB LEU 7 1HB LEU 7 0.379 -0.341 4.217 488 HG LEU 7 HG LEU 7 2.512 1.375 2.961 489 1HD1 LEU 7 1HD1 LEU 7 1.450 -0.433 1.557 490 2HD1 LEU 7 2HD1 LEU 7 1.276 1.214 0.955 491 3HD1 LEU 7 3HD1 LEU 7 -0.076 0.423 1.764 492 1HD2 LEU 7 1HD2 LEU 7 0.907 3.117 2.868 493 2HD2 LEU 7 2HD2 LEU 7 0.921 2.533 4.532 494 3HD2 LEU 7 3HD2 LEU 7 -0.380 2.055 3.443 495 H ASN 8 H ASN 8 1.320 0.004 7.997 496 HA ASN 8 HA ASN 8 2.841 -2.501 8.145 497 1HB ASN 8 2HB ASN 8 2.009 -0.492 10.216 498 2HB ASN 8 1HB ASN 8 2.547 -2.105 10.668 499 1HD2 ASN 8 1HD2 ASN 8 4.526 -1.999 11.391 500 2HD2 ASN 8 2HD2 ASN 8 5.824 -1.097 10.689 501 H GLY 9 H GLY 9 1.644 -4.252 7.806 502 1HA GLY 9 2HA GLY 9 -0.982 -4.381 9.139 503 2HA GLY 9 1HA GLY 9 -0.597 -5.230 7.646 504 H LYS 10 H LYS 10 -1.560 -6.942 9.241 505 HA LYS 10 HA LYS 10 0.282 -7.939 11.199 506 1HB LYS 10 2HB LYS 10 -2.247 -9.098 10.024 507 2HB LYS 10 1HB LYS 10 -1.290 -9.925 11.240 508 1HG LYS 10 2HG LYS 10 -3.120 -8.839 12.316 509 2HG LYS 10 1HG LYS 10 -1.634 -7.996 12.755 510 1HD LYS 10 2HD LYS 10 -2.117 -6.246 11.150 511 2HD LYS 10 1HD LYS 10 -3.553 -7.114 10.600 512 1HE LYS 10 2HE LYS 10 -4.526 -6.897 12.840 513 2HE LYS 10 1HE LYS 10 -3.097 -6.014 13.372 514 1HZ LYS 10 1HZ LYS 10 -4.664 -4.385 12.860 515 2HZ LYS 10 2HZ LYS 10 -5.167 -5.158 11.443 516 3HZ LYS 10 3HZ LYS 10 -3.653 -4.408 11.504 517 H THR 11 H THR 11 -0.852 -9.056 8.022 518 HA THR 11 HA THR 11 1.402 -10.916 7.882 519 HB THR 11 HB THR 11 0.006 -11.781 5.897 520 HG1 THR 11 1HG THR 11 -2.254 -11.268 6.197 521 1HG2 THR 11 1HG2 THR 11 -1.829 -12.610 7.694 522 2HG2 THR 11 2HG2 THR 11 -0.501 -12.143 8.756 523 3HG2 THR 11 3HG2 THR 11 -0.235 -13.336 7.485 524 H LEU 12 H LEU 12 0.748 -7.838 6.990 525 HA LEU 12 HA LEU 12 2.499 -8.065 4.660 526 1HB LEU 12 2HB LEU 12 0.222 -7.892 3.812 527 2HB LEU 12 1HB LEU 12 -0.037 -6.440 4.761 528 HG LEU 12 HG LEU 12 1.486 -5.191 3.412 529 1HD1 LEU 12 1HD1 LEU 12 3.279 -6.250 2.638 530 2HD1 LEU 12 2HD1 LEU 12 2.256 -6.834 1.323 531 3HD1 LEU 12 3HD1 LEU 12 2.493 -7.820 2.762 532 1HD2 LEU 12 1HD2 LEU 12 0.271 -6.546 1.150 533 2HD2 LEU 12 2HD2 LEU 12 0.026 -4.908 1.755 534 3HD2 LEU 12 3HD2 LEU 12 -0.871 -6.253 2.460 535 H LYS 13 H LYS 13 4.002 -6.533 4.456 536 HA LYS 13 HA LYS 13 3.849 -4.100 6.060 537 1HB LYS 13 2HB LYS 13 6.280 -5.896 6.144 538 2HB LYS 13 1HB LYS 13 6.049 -4.390 7.019 539 1HG LYS 13 2HG LYS 13 5.622 -5.911 8.668 540 2HG LYS 13 1HG LYS 13 3.997 -5.645 8.038 541 1HD LYS 13 2HD LYS 13 4.348 -8.007 8.340 542 2HD LYS 13 1HD LYS 13 4.266 -7.655 6.615 543 1HE LYS 13 2HE LYS 13 6.699 -7.712 6.473 544 2HE LYS 13 1HE LYS 13 6.801 -8.020 8.206 545 1HZ LYS 13 1HZ LYS 13 6.097 -10.160 7.961 546 2HZ LYS 13 2HZ LYS 13 6.894 -9.964 6.482 547 3HZ LYS 13 3HZ LYS 13 5.209 -9.845 6.555 548 H GLY 14 H GLY 14 4.973 -2.367 5.141 549 1HA GLY 14 2HA GLY 14 6.913 -2.694 3.094 550 2HA GLY 14 1HA GLY 14 5.337 -2.390 2.384 551 H GLU 15 H GLU 15 6.902 -0.596 1.618 552 HA GLU 15 HA GLU 15 6.279 1.768 3.222 553 1HB GLU 15 2HB GLU 15 9.015 1.176 2.068 554 2HB GLU 15 1HB GLU 15 8.531 2.710 2.773 555 1HG GLU 15 2HG GLU 15 9.785 1.573 4.411 556 2HG GLU 15 1HG GLU 15 8.099 1.481 4.914 557 H THR 16 H THR 16 5.638 3.477 2.032 558 HA THR 16 HA THR 16 6.101 3.416 -0.855 559 HB THR 16 HB THR 16 3.958 2.574 -0.901 560 HG1 THR 16 1HG THR 16 3.433 5.327 -0.729 561 1HG2 THR 16 1HG2 THR 16 2.123 3.169 0.531 562 2HG2 THR 16 2HG2 THR 16 3.116 4.370 1.351 563 3HG2 THR 16 3HG2 THR 16 3.501 2.657 1.505 564 H THR 17 H THR 17 5.539 5.558 -1.898 565 HA THR 17 HA THR 17 5.806 7.805 -0.044 566 HB THR 17 HB THR 17 7.664 8.739 -1.411 567 HG1 THR 17 1HG THR 17 7.738 6.138 -2.532 568 1HG2 THR 17 1HG2 THR 17 8.734 6.121 -0.588 569 2HG2 THR 17 2HG2 THR 17 7.898 7.054 0.652 570 3HG2 THR 17 3HG2 THR 17 9.281 7.751 -0.194 571 H THR 18 H THR 18 4.372 9.277 -0.520 572 HA THR 18 HA THR 18 3.479 9.645 -3.317 573 HB THR 18 HB THR 18 1.712 9.070 -1.665 574 HG1 THR 18 1HG THR 18 1.266 10.458 -3.459 575 1HG2 THR 18 1HG2 THR 18 2.374 9.966 0.383 576 2HG2 THR 18 2HG2 THR 18 1.007 10.961 -0.122 577 3HG2 THR 18 3HG2 THR 18 2.653 11.565 -0.306 578 H GLU 19 H GLU 19 3.477 11.743 -4.194 579 HA GLU 19 HA GLU 19 5.138 13.688 -2.722 580 1HB GLU 19 2HB GLU 19 6.063 12.943 -4.874 581 2HB GLU 19 1HB GLU 19 4.595 13.457 -5.693 582 1HG GLU 19 2HG GLU 19 5.050 15.769 -5.071 583 2HG GLU 19 1HG GLU 19 6.516 15.258 -4.236 584 H ALA 20 H ALA 20 3.925 15.195 -1.722 585 HA ALA 20 HA ALA 20 1.821 16.506 -3.269 586 1HB ALA 20 1HB ALA 20 0.113 16.111 -1.809 587 2HB ALA 20 2HB ALA 20 1.192 15.886 -0.432 588 3HB ALA 20 3HB ALA 20 1.016 14.607 -1.632 589 H VAL 21 H VAL 21 1.284 18.579 -2.593 590 HA VAL 21 HA VAL 21 3.333 20.257 -1.872 591 HB VAL 21 HB VAL 21 0.428 20.824 -1.289 592 1HG1 VAL 21 1HG1 VAL 21 1.966 22.470 -0.375 593 2HG1 VAL 21 2HG1 VAL 21 1.060 23.151 -1.727 594 3HG1 VAL 21 3HG1 VAL 21 2.736 22.648 -1.952 595 1HG2 VAL 21 1HG2 VAL 21 0.565 21.871 -3.640 596 2HG2 VAL 21 2HG2 VAL 21 0.369 20.123 -3.506 597 3HG2 VAL 21 3HG2 VAL 21 1.954 20.808 -3.867 598 H ASP 22 H ASP 22 1.176 18.505 0.240 599 HA ASP 22 HA ASP 22 2.863 19.172 2.495 600 1HB ASP 22 2HB ASP 22 1.091 20.024 3.933 601 2HB ASP 22 1HB ASP 22 1.265 21.041 2.508 602 H ALA 23 H ALA 23 1.794 18.138 4.584 603 HA ALA 23 HA ALA 23 1.808 15.378 4.172 604 1HB ALA 23 1HB ALA 23 1.905 17.065 6.365 605 2HB ALA 23 2HB ALA 23 1.994 15.305 6.388 606 3HB ALA 23 3HB ALA 23 0.443 16.112 6.618 607 H ALA 24 H ALA 24 -0.918 17.584 4.654 608 HA ALA 24 HA ALA 24 -2.921 15.605 4.764 609 1HB ALA 24 1HB ALA 24 -2.950 18.524 4.056 610 2HB ALA 24 2HB ALA 24 -3.598 17.722 5.488 611 3HB ALA 24 3HB ALA 24 -4.409 17.542 3.932 612 H THR 25 H THR 25 -1.837 17.619 2.013 613 HA THR 25 HA THR 25 -3.407 16.489 0.042 614 HB THR 25 HB THR 25 -1.546 17.131 -1.517 615 HG1 THR 25 1HG THR 25 -0.211 17.394 0.906 616 1HG2 THR 25 1HG2 THR 25 -2.563 19.091 -1.470 617 2HG2 THR 25 2HG2 THR 25 -1.409 19.579 -0.230 618 3HG2 THR 25 3HG2 THR 25 -2.971 18.904 0.235 619 H ALA 26 H ALA 26 -0.260 15.458 1.299 620 HA ALA 26 HA ALA 26 0.100 13.230 -0.374 621 1HB ALA 26 1HB ALA 26 1.580 12.385 1.465 622 2HB ALA 26 2HB ALA 26 1.063 13.762 2.437 623 3HB ALA 26 3HB ALA 26 1.945 14.026 0.933 624 H GLU 27 H GLU 27 -1.235 13.446 2.941 625 HA GLU 27 HA GLU 27 -2.001 10.827 3.276 626 1HB GLU 27 2HB GLU 27 -2.094 12.505 5.055 627 2HB GLU 27 1HB GLU 27 -3.429 13.304 4.238 628 1HG GLU 27 2HG GLU 27 -4.808 11.317 4.546 629 2HG GLU 27 1HG GLU 27 -3.471 10.521 5.374 630 H LYS 28 H LYS 28 -3.867 13.490 1.833 631 HA LYS 28 HA LYS 28 -6.200 12.031 1.298 632 1HB LYS 28 2HB LYS 28 -5.022 14.389 -0.186 633 2HB LYS 28 1HB LYS 28 -6.658 13.782 -0.411 634 1HG LYS 28 2HG LYS 28 -5.513 14.962 2.111 635 2HG LYS 28 1HG LYS 28 -6.688 15.710 1.026 636 1HD LYS 28 2HD LYS 28 -8.281 13.920 1.524 637 2HD LYS 28 1HD LYS 28 -7.107 13.180 2.612 638 1HE LYS 28 2HE LYS 28 -8.341 15.916 2.916 639 2HE LYS 28 1HE LYS 28 -8.757 14.481 3.851 640 1HZ LYS 28 1HZ LYS 28 -7.151 15.006 5.260 641 2HZ LYS 28 2HZ LYS 28 -6.704 16.342 4.322 642 3HZ LYS 28 3HZ LYS 28 -5.997 14.832 4.036 643 H VAL 29 H VAL 29 -3.289 12.589 -0.613 644 HA VAL 29 HA VAL 29 -4.107 11.265 -2.941 645 HB VAL 29 HB VAL 29 -1.330 11.620 -1.797 646 1HG1 VAL 29 1HG1 VAL 29 -2.274 10.506 -4.406 647 2HG1 VAL 29 2HG1 VAL 29 -1.015 9.911 -3.325 648 3HG1 VAL 29 3HG1 VAL 29 -0.731 11.349 -4.301 649 1HG2 VAL 29 1HG2 VAL 29 -3.003 13.563 -2.630 650 2HG2 VAL 29 2HG2 VAL 29 -2.216 13.150 -4.153 651 3HG2 VAL 29 3HG2 VAL 29 -1.247 13.653 -2.769 652 H VAL 30 H VAL 30 -2.629 10.087 0.035 653 HA VAL 30 HA VAL 30 -2.192 7.438 -0.909 654 HB VAL 30 HB VAL 30 -2.690 8.226 1.964 655 1HG1 VAL 30 1HG1 VAL 30 -1.668 6.250 2.557 656 2HG1 VAL 30 2HG1 VAL 30 -0.766 6.140 1.047 657 3HG1 VAL 30 3HG1 VAL 30 -2.490 5.773 1.071 658 1HG2 VAL 30 1HG2 VAL 30 -0.748 9.315 2.099 659 2HG2 VAL 30 2HG2 VAL 30 -0.728 9.328 0.335 660 3HG2 VAL 30 3HG2 VAL 30 0.104 8.048 1.217 661 H LYS 31 H LYS 31 -4.765 8.980 1.051 662 HA LYS 31 HA LYS 31 -6.449 6.867 1.471 663 1HB LYS 31 2HB LYS 31 -7.241 9.673 0.673 664 2HB LYS 31 1HB LYS 31 -8.345 8.479 1.332 665 1HG LYS 31 2HG LYS 31 -6.119 9.935 2.693 666 2HG LYS 31 1HG LYS 31 -7.821 9.825 3.140 667 1HD LYS 31 2HD LYS 31 -7.238 7.258 3.343 668 2HD LYS 31 1HD LYS 31 -5.607 7.893 3.569 669 1HE LYS 31 2HE LYS 31 -8.027 8.686 5.184 670 2HE LYS 31 1HE LYS 31 -6.780 7.555 5.704 671 1HZ LYS 31 1HZ LYS 31 -5.158 9.379 5.472 672 2HZ LYS 31 2HZ LYS 31 -6.338 9.694 6.639 673 3HZ LYS 31 3HZ LYS 31 -6.426 10.444 5.128 674 H GLN 32 H GLN 32 -6.376 8.970 -1.366 675 HA GLN 32 HA GLN 32 -8.326 7.557 -2.833 676 1HB GLN 32 2HB GLN 32 -7.941 9.711 -3.605 677 2HB GLN 32 1HB GLN 32 -6.198 9.546 -3.547 678 1HG GLN 32 2HG GLN 32 -7.874 8.010 -5.502 679 2HG GLN 32 1HG GLN 32 -7.334 9.653 -5.826 680 1HE2 GLN 32 1HE2 GLN 32 -4.889 8.469 -4.040 681 2HE2 GLN 32 2HE2 GLN 32 -3.901 7.803 -5.278 682 H PHE 33 H PHE 33 -4.862 7.170 -2.487 683 HA PHE 33 HA PHE 33 -4.322 5.394 -4.557 684 1HB PHE 33 2HB PHE 33 -2.658 6.497 -3.009 685 2HB PHE 33 1HB PHE 33 -3.097 5.310 -1.787 686 HD1 PHE 33 1HD PHE 33 -1.870 5.551 -5.283 687 HD2 PHE 33 2HD PHE 33 -1.877 3.329 -1.633 688 HE1 PHE 33 1HE PHE 33 -0.189 4.010 -6.210 689 HE2 PHE 33 2HE PHE 33 -0.196 1.797 -2.570 690 HZ PHE 33 HZ PHE 33 0.649 2.141 -4.859 691 H PHE 34 H PHE 34 -4.948 4.558 -1.172 692 HA PHE 34 HA PHE 34 -5.379 1.786 -1.703 693 1HB PHE 34 2HB PHE 34 -6.077 3.419 0.739 694 2HB PHE 34 1HB PHE 34 -6.086 1.653 0.651 695 HD1 PHE 34 1HD PHE 34 -3.748 0.977 -0.813 696 HD2 PHE 34 2HD PHE 34 -4.289 4.073 2.049 697 HE1 PHE 34 1HE PHE 34 -1.337 0.959 -0.350 698 HE2 PHE 34 2HE PHE 34 -1.876 4.059 2.526 699 HZ PHE 34 HZ PHE 34 -0.402 2.505 1.306 700 H ASN 35 H ASN 35 -7.507 4.542 -1.243 701 HA ASN 35 HA ASN 35 -9.979 3.329 -1.093 702 1HB ASN 35 2HB ASN 35 -9.615 5.766 -0.963 703 2HB ASN 35 1HB ASN 35 -9.227 5.800 -2.679 704 1HD2 ASN 35 1HD2 ASN 35 -11.419 6.854 -0.804 705 2HD2 ASN 35 2HD2 ASN 35 -12.872 6.532 -1.681 706 H ASP 36 H ASP 36 -7.939 3.924 -3.859 707 HA ASP 36 HA ASP 36 -9.840 2.649 -5.675 708 1HB ASP 36 2HB ASP 36 -7.240 4.087 -6.232 709 2HB ASP 36 1HB ASP 36 -8.277 3.383 -7.470 710 H ASN 37 H ASN 37 -6.877 1.879 -4.017 711 HA ASN 37 HA ASN 37 -6.195 -0.274 -5.826 712 1HB ASN 37 2HB ASN 37 -5.142 0.436 -3.079 713 2HB ASN 37 1HB ASN 37 -4.548 -0.914 -4.036 714 1HD2 ASN 37 1HD2 ASN 37 -3.462 1.787 -3.050 715 2HD2 ASN 37 2HD2 ASN 37 -2.692 2.430 -4.458 716 H GLY 38 H GLY 38 -7.535 0.071 -2.594 717 1HA GLY 38 2HA GLY 38 -8.006 -1.972 -1.271 718 2HA GLY 38 1HA GLY 38 -9.450 -1.245 -1.938 719 H VAL 39 H VAL 39 -10.803 -2.613 -2.792 720 HA VAL 39 HA VAL 39 -9.800 -5.226 -3.714 721 HB VAL 39 HB VAL 39 -12.574 -4.498 -2.842 722 1HG1 VAL 39 1HG1 VAL 39 -11.312 -6.954 -3.856 723 2HG1 VAL 39 2HG1 VAL 39 -13.000 -6.446 -3.895 724 3HG1 VAL 39 3HG1 VAL 39 -12.331 -7.165 -2.431 725 1HG2 VAL 39 1HG2 VAL 39 -10.898 -6.196 -1.109 726 2HG2 VAL 39 2HG2 VAL 39 -12.083 -4.960 -0.686 727 3HG2 VAL 39 3HG2 VAL 39 -10.458 -4.489 -1.179 728 H ASP 40 H ASP 40 -10.729 -2.441 -5.216 729 HA ASP 40 HA ASP 40 -12.057 -3.962 -7.354 730 1HB ASP 40 2HB ASP 40 -12.577 -1.096 -6.546 731 2HB ASP 40 1HB ASP 40 -13.299 -1.908 -7.932 732 H GLY 41 H GLY 41 -9.173 -2.839 -6.712 733 1HA GLY 41 2HA GLY 41 -8.722 -1.124 -8.997 734 2HA GLY 41 1HA GLY 41 -7.505 -1.705 -7.872 735 H GLU 42 H GLU 42 -6.631 -1.708 -10.298 736 HA GLU 42 HA GLU 42 -7.157 -4.306 -11.548 737 1HB GLU 42 2HB GLU 42 -5.521 -1.956 -12.527 738 2HB GLU 42 1HB GLU 42 -5.830 -3.430 -13.436 739 1HG GLU 42 2HG GLU 42 -8.218 -2.932 -13.444 740 2HG GLU 42 1HG GLU 42 -7.914 -1.458 -12.526 741 H TRP 43 H TRP 43 -6.043 -5.827 -10.417 742 HA TRP 43 HA TRP 43 -3.286 -5.285 -9.642 743 1HB TRP 43 2HB TRP 43 -5.136 -7.575 -8.984 744 2HB TRP 43 1HB TRP 43 -3.493 -7.409 -8.376 745 HD1 TRP 43 HD TRP 43 -6.312 -4.729 -8.503 746 HE1 TRP 43 1HE TRP 43 -6.632 -3.837 -6.103 747 HE3 TRP 43 3HE TRP 43 -2.986 -7.741 -6.067 748 HZ2 TRP 43 2HZ TRP 43 -5.603 -4.348 -3.525 749 HZ3 TRP 43 3HZ TRP 43 -2.712 -7.480 -3.642 750 HH2 TRP 43 HH TRP 43 -3.998 -5.818 -2.396 751 H THR 44 H THR 44 -1.641 -5.900 -10.850 752 HA THR 44 HA THR 44 -1.984 -8.201 -12.660 753 HB THR 44 HB THR 44 -0.025 -7.220 -13.900 754 HG1 THR 44 1HG THR 44 -0.552 -4.897 -12.376 755 1HG2 THR 44 1HG2 THR 44 -1.308 -5.940 -15.237 756 2HG2 THR 44 2HG2 THR 44 -1.995 -5.027 -13.895 757 3HG2 THR 44 3HG2 THR 44 -2.602 -6.642 -14.265 758 H TYR 45 H TYR 45 -0.590 -9.921 -12.465 759 HA TYR 45 HA TYR 45 1.328 -9.757 -10.235 760 1HB TYR 45 2HB TYR 45 -0.503 -11.319 -9.843 761 2HB TYR 45 1HB TYR 45 -0.137 -12.157 -11.345 762 HD1 TYR 45 1HD TYR 45 2.068 -10.971 -8.570 763 HD2 TYR 45 2HD TYR 45 0.609 -14.278 -10.812 764 HE1 TYR 45 1HE TYR 45 3.601 -12.464 -7.356 765 HE2 TYR 45 2HE TYR 45 2.136 -15.779 -9.603 766 HH TYR 45 HH TYR 45 3.343 -15.842 -7.462 767 H ASP 46 H ASP 46 3.362 -10.662 -10.395 768 HA ASP 46 HA ASP 46 4.242 -11.438 -13.094 769 1HB ASP 46 2HB ASP 46 5.060 -9.180 -12.551 770 2HB ASP 46 1HB ASP 46 5.785 -9.797 -11.069 771 H ASP 47 H ASP 47 3.874 -13.622 -12.409 772 HA ASP 47 HA ASP 47 4.789 -14.927 -10.198 773 1HB ASP 47 2HB ASP 47 4.803 -15.980 -13.032 774 2HB ASP 47 1HB ASP 47 4.886 -16.971 -11.580 775 H ALA 48 H ALA 48 6.698 -13.992 -13.007 776 HA ALA 48 HA ALA 48 8.976 -15.477 -12.673 777 1HB ALA 48 1HB ALA 48 9.151 -14.233 -14.550 778 2HB ALA 48 2HB ALA 48 10.085 -13.182 -13.485 779 3HB ALA 48 3HB ALA 48 8.391 -12.820 -13.818 780 H THR 49 H THR 49 8.029 -12.606 -10.871 781 HA THR 49 HA THR 49 10.287 -13.116 -9.047 782 HB THR 49 HB THR 49 10.495 -10.685 -8.681 783 HG1 THR 49 1HG THR 49 8.498 -10.589 -10.676 784 1HG2 THR 49 1HG2 THR 49 10.994 -10.213 -11.313 785 2HG2 THR 49 2HG2 THR 49 11.082 -11.972 -11.231 786 3HG2 THR 49 3HG2 THR 49 12.108 -10.987 -10.187 787 H LYS 50 H LYS 50 7.165 -13.500 -9.181 788 HA LYS 50 HA LYS 50 5.414 -13.481 -7.711 789 1HB LYS 50 2HB LYS 50 7.770 -13.483 -5.849 790 2HB LYS 50 1HB LYS 50 6.139 -13.387 -5.217 791 1HG LYS 50 2HG LYS 50 6.569 -15.641 -5.120 792 2HG LYS 50 1HG LYS 50 5.713 -15.497 -6.648 793 1HD LYS 50 2HD LYS 50 7.692 -16.968 -6.755 794 2HD LYS 50 1HD LYS 50 7.781 -15.603 -7.871 795 1HE LYS 50 2HE LYS 50 9.269 -14.432 -6.351 796 2HE LYS 50 1HE LYS 50 9.112 -15.727 -5.166 797 1HZ LYS 50 1HZ LYS 50 11.171 -15.794 -6.542 798 2HZ LYS 50 2HZ LYS 50 10.207 -16.133 -7.890 799 3HZ LYS 50 3HZ LYS 50 10.254 -17.215 -6.590 800 H THR 51 H THR 51 6.427 -10.960 -8.798 801 HA THR 51 HA THR 51 5.861 -9.070 -6.652 802 HB THR 51 HB THR 51 6.846 -8.599 -9.468 803 HG1 THR 51 1HG THR 51 8.371 -9.629 -8.132 804 1HG2 THR 51 1HG2 THR 51 5.617 -6.713 -8.045 805 2HG2 THR 51 2HG2 THR 51 6.996 -6.384 -9.094 806 3HG2 THR 51 3HG2 THR 51 7.235 -6.578 -7.357 807 H PHE 52 H PHE 52 4.079 -7.854 -6.534 808 HA PHE 52 HA PHE 52 2.075 -8.158 -8.672 809 1HB PHE 52 2HB PHE 52 1.636 -7.534 -5.741 810 2HB PHE 52 1HB PHE 52 0.374 -7.724 -6.955 811 HD1 PHE 52 1HD PHE 52 -0.592 -9.797 -7.300 812 HD2 PHE 52 2HD PHE 52 3.178 -9.557 -5.341 813 HE1 PHE 52 1HE PHE 52 -0.704 -12.204 -6.800 814 HE2 PHE 52 2HE PHE 52 3.075 -11.963 -4.842 815 HZ PHE 52 HZ PHE 52 1.133 -13.291 -5.572 816 H THR 53 H THR 53 1.470 -6.353 -9.735 817 HA THR 53 HA THR 53 2.335 -3.789 -8.594 818 HB THR 53 HB THR 53 2.045 -3.017 -11.063 819 HG1 THR 53 1HG THR 53 1.207 -5.242 -11.563 820 1HG2 THR 53 1HG2 THR 53 4.310 -4.609 -9.959 821 2HG2 THR 53 2HG2 THR 53 4.191 -2.871 -10.243 822 3HG2 THR 53 3HG2 THR 53 4.361 -3.979 -11.606 823 H VAL 54 H VAL 54 0.599 -3.295 -7.405 824 HA VAL 54 HA VAL 54 -2.069 -3.290 -8.539 825 HB VAL 54 HB VAL 54 -1.121 -2.171 -5.891 826 1HG1 VAL 54 1HG1 VAL 54 -3.444 -2.213 -5.236 827 2HG1 VAL 54 2HG1 VAL 54 -3.905 -2.901 -6.793 828 3HG1 VAL 54 3HG1 VAL 54 -3.269 -1.258 -6.709 829 1HG2 VAL 54 1HG2 VAL 54 -0.662 -4.544 -6.004 830 2HG2 VAL 54 2HG2 VAL 54 -2.305 -4.864 -6.556 831 3HG2 VAL 54 3HG2 VAL 54 -2.026 -4.252 -4.925 832 H THR 55 H THR 55 -2.767 -1.684 -9.793 833 HA THR 55 HA THR 55 -1.290 0.790 -9.890 834 HB THR 55 HB THR 55 -3.754 0.108 -11.483 835 HG1 THR 55 1HG THR 55 -2.368 -1.526 -11.941 836 1HG2 THR 55 1HG2 THR 55 -3.200 2.364 -11.824 837 2HG2 THR 55 2HG2 THR 55 -2.511 1.495 -13.196 838 3HG2 THR 55 3HG2 THR 55 -1.471 2.016 -11.868 839 H GLU 56 H GLU 56 -2.350 2.848 -9.952 840 HA GLU 56 HA GLU 56 -4.181 3.128 -7.692 841 1HB GLU 56 2HB GLU 56 -2.248 4.591 -7.793 842 2HB GLU 56 1HB GLU 56 -2.766 5.219 -9.350 843 1HG GLU 56 2HG GLU 56 -4.748 6.173 -8.286 844 2HG GLU 56 1HG GLU 56 -4.207 5.547 -6.728 Start of MODEL 21 1 1H MET 1 1HT MET 1 5.182 -18.341 2.462 2 2H MET 1 2HT MET 1 6.608 -18.648 3.319 3 3H MET 1 3HT MET 1 6.111 -19.709 2.100 4 HA MET 1 HA MET 1 7.974 -18.054 1.584 5 1HB MET 1 2HB MET 1 6.873 -19.501 -0.056 6 2HB MET 1 1HB MET 1 5.537 -18.366 -0.182 7 1HG MET 1 2HG MET 1 7.039 -18.157 -2.073 8 2HG MET 1 1HG MET 1 7.037 -16.684 -1.105 9 1HE MET 1 1HE MET 1 10.085 -17.536 -3.123 10 2HE MET 1 2HE MET 1 10.373 -16.140 -2.084 11 3HE MET 1 3HE MET 1 8.790 -16.377 -2.824 12 H GLN 2 H GLN 2 8.396 -15.956 0.802 13 HA GLN 2 HA GLN 2 6.431 -13.949 1.675 14 1HB GLN 2 2HB GLN 2 8.585 -13.852 2.840 15 2HB GLN 2 1HB GLN 2 9.424 -13.708 1.302 16 1HG GLN 2 2HG GLN 2 8.313 -11.572 0.893 17 2HG GLN 2 1HG GLN 2 7.475 -11.716 2.435 18 1HE2 GLN 2 1HE2 GLN 2 10.465 -13.017 2.923 19 2HE2 GLN 2 2HE2 GLN 2 11.292 -11.618 3.501 20 H TYR 3 H TYR 3 5.848 -12.263 0.310 21 HA TYR 3 HA TYR 3 6.870 -12.420 -2.447 22 1HB TYR 3 2HB TYR 3 3.992 -12.039 -1.596 23 2HB TYR 3 1HB TYR 3 4.579 -11.892 -3.249 24 HD1 TYR 3 1HD TYR 3 4.419 -13.740 -4.629 25 HD2 TYR 3 2HD TYR 3 4.618 -14.336 -0.420 26 HE1 TYR 3 1HE TYR 3 4.101 -16.155 -4.961 27 HE2 TYR 3 2HE TYR 3 4.302 -16.753 -0.740 28 HH TYR 3 HH TYR 3 3.739 -18.130 -3.955 29 H LYS 4 H LYS 4 7.022 -10.479 -3.576 30 HA LYS 4 HA LYS 4 6.932 -8.102 -1.853 31 1HB LYS 4 2HB LYS 4 9.118 -8.686 -2.858 32 2HB LYS 4 1HB LYS 4 8.410 -8.519 -4.458 33 1HG LYS 4 2HG LYS 4 7.967 -6.154 -4.014 34 2HG LYS 4 1HG LYS 4 8.683 -6.327 -2.411 35 1HD LYS 4 2HD LYS 4 10.817 -6.970 -3.450 36 2HD LYS 4 1HD LYS 4 10.094 -6.756 -5.045 37 1HE LYS 4 2HE LYS 4 11.394 -4.800 -4.458 38 2HE LYS 4 1HE LYS 4 9.682 -4.389 -4.520 39 1HZ LYS 4 1HZ LYS 4 10.149 -5.129 -1.916 40 2HZ LYS 4 2HZ LYS 4 9.945 -3.555 -2.494 41 3HZ LYS 4 3HZ LYS 4 11.500 -4.201 -2.338 42 H VAL 5 H VAL 5 5.094 -7.011 -2.067 43 HA VAL 5 HA VAL 5 3.749 -6.929 -4.660 44 HB VAL 5 HB VAL 5 2.817 -5.867 -1.985 45 1HG1 VAL 5 1HG1 VAL 5 1.587 -5.965 -4.703 46 2HG1 VAL 5 2HG1 VAL 5 1.567 -4.671 -3.506 47 3HG1 VAL 5 3HG1 VAL 5 0.559 -6.098 -3.276 48 1HG2 VAL 5 1HG2 VAL 5 3.150 -8.400 -2.274 49 2HG2 VAL 5 2HG2 VAL 5 1.762 -8.313 -3.358 50 3HG2 VAL 5 3HG2 VAL 5 1.595 -7.827 -1.671 51 H ILE 6 H ILE 6 3.722 -5.183 -5.927 52 HA ILE 6 HA ILE 6 5.098 -2.779 -4.961 53 HB ILE 6 HB ILE 6 4.676 -3.860 -7.742 54 1HG1 ILE 6 2HG1 ILE 6 7.180 -3.182 -6.190 55 2HG1 ILE 6 1HG1 ILE 6 6.524 -4.801 -6.395 56 1HG2 ILE 6 1HG2 ILE 6 5.209 -1.102 -6.877 57 2HG2 ILE 6 2HG2 ILE 6 4.538 -1.712 -8.392 58 3HG2 ILE 6 3HG2 ILE 6 6.283 -1.721 -8.131 59 1HD1 ILE 6 1HD1 ILE 6 7.741 -3.007 -8.463 60 2HD1 ILE 6 2HD1 ILE 6 6.779 -4.423 -8.888 61 3HD1 ILE 6 3HD1 ILE 6 8.263 -4.611 -7.953 62 H LEU 7 H LEU 7 3.863 -1.153 -4.384 63 HA LEU 7 HA LEU 7 1.167 -0.904 -5.473 64 1HB LEU 7 2HB LEU 7 2.592 0.332 -3.121 65 2HB LEU 7 1HB LEU 7 1.035 0.911 -3.663 66 HG LEU 7 HG LEU 7 1.602 -1.895 -2.731 67 1HD1 LEU 7 1HD1 LEU 7 1.340 0.399 -1.200 68 2HD1 LEU 7 2HD1 LEU 7 1.122 -1.262 -0.649 69 3HD1 LEU 7 3HD1 LEU 7 -0.271 -0.319 -1.178 70 1HD2 LEU 7 1HD2 LEU 7 -0.464 -2.470 -3.378 71 2HD2 LEU 7 2HD2 LEU 7 -0.379 -1.054 -4.424 72 3HD2 LEU 7 3HD2 LEU 7 -1.157 -0.937 -2.848 73 H ASN 8 H ASN 8 1.814 -0.248 -7.543 74 HA ASN 8 HA ASN 8 3.251 2.265 -7.839 75 1HB ASN 8 2HB ASN 8 3.852 0.318 -9.222 76 2HB ASN 8 1HB ASN 8 2.230 0.306 -9.901 77 1HD2 ASN 8 1HD2 ASN 8 5.169 0.914 -10.757 78 2HD2 ASN 8 2HD2 ASN 8 4.971 2.286 -11.792 79 H GLY 9 H GLY 9 2.034 4.064 -7.618 80 1HA GLY 9 2HA GLY 9 -0.566 4.118 -9.024 81 2HA GLY 9 1HA GLY 9 -0.231 5.026 -7.559 82 H LYS 10 H LYS 10 -1.116 6.732 -9.073 83 HA LYS 10 HA LYS 10 0.728 7.715 -11.071 84 1HB LYS 10 2HB LYS 10 -1.802 8.956 -9.967 85 2HB LYS 10 1HB LYS 10 -0.914 9.522 -11.373 86 1HG LYS 10 2HG LYS 10 -1.406 7.444 -12.541 87 2HG LYS 10 1HG LYS 10 -2.267 6.843 -11.122 88 1HD LYS 10 2HD LYS 10 -3.007 9.290 -12.728 89 2HD LYS 10 1HD LYS 10 -3.811 7.722 -12.814 90 1HE LYS 10 2HE LYS 10 -4.416 7.920 -10.440 91 2HE LYS 10 1HE LYS 10 -3.643 9.502 -10.383 92 1HZ LYS 10 1HZ LYS 10 -6.073 8.717 -11.880 93 2HZ LYS 10 2HZ LYS 10 -5.232 10.147 -12.211 94 3HZ LYS 10 3HZ LYS 10 -5.919 9.905 -10.685 95 H THR 11 H THR 11 -0.640 8.963 -8.041 96 HA THR 11 HA THR 11 1.551 10.876 -7.816 97 HB THR 11 HB THR 11 0.036 11.656 -5.863 98 HG1 THR 11 1HG THR 11 -2.212 11.076 -6.392 99 1HG2 THR 11 1HG2 THR 11 -0.278 12.085 -8.731 100 2HG2 THR 11 2HG2 THR 11 -0.207 13.248 -7.407 101 3HG2 THR 11 3HG2 THR 11 -1.725 12.432 -7.785 102 H LEU 12 H LEU 12 0.891 7.787 -6.871 103 HA LEU 12 HA LEU 12 2.578 8.081 -4.496 104 1HB LEU 12 2HB LEU 12 0.289 7.796 -3.750 105 2HB LEU 12 1HB LEU 12 0.116 6.357 -4.738 106 HG LEU 12 HG LEU 12 1.599 5.123 -3.336 107 1HD1 LEU 12 1HD1 LEU 12 3.336 6.199 -2.463 108 2HD1 LEU 12 2HD1 LEU 12 2.242 6.768 -1.200 109 3HD1 LEU 12 3HD1 LEU 12 2.534 7.756 -2.625 110 1HD2 LEU 12 1HD2 LEU 12 0.062 4.787 -1.766 111 2HD2 LEU 12 2HD2 LEU 12 -0.811 6.152 -2.463 112 3HD2 LEU 12 3HD2 LEU 12 0.279 6.405 -1.101 113 H LYS 13 H LYS 13 4.223 6.735 -4.347 114 HA LYS 13 HA LYS 13 4.335 4.367 -6.093 115 1HB LYS 13 2HB LYS 13 6.612 6.299 -5.593 116 2HB LYS 13 1HB LYS 13 6.670 4.865 -6.606 117 1HG LYS 13 2HG LYS 13 4.800 7.147 -7.159 118 2HG LYS 13 1HG LYS 13 6.450 7.095 -7.782 119 1HD LYS 13 2HD LYS 13 4.372 4.960 -8.255 120 2HD LYS 13 1HD LYS 13 4.749 6.260 -9.389 121 1HE LYS 13 2HE LYS 13 7.099 5.464 -9.435 122 2HE LYS 13 1HE LYS 13 6.624 4.107 -8.414 123 1HZ LYS 13 1HZ LYS 13 6.158 4.551 -11.242 124 2HZ LYS 13 2HZ LYS 13 4.851 3.903 -10.389 125 3HZ LYS 13 3HZ LYS 13 6.340 3.102 -10.386 126 H GLY 14 H GLY 14 4.913 2.541 -4.978 127 1HA GLY 14 2HA GLY 14 6.768 2.668 -2.793 128 2HA GLY 14 1HA GLY 14 5.119 2.439 -2.245 129 H GLU 15 H GLU 15 6.720 0.568 -1.482 130 HA GLU 15 HA GLU 15 5.960 -1.741 -3.107 131 1HB GLU 15 2HB GLU 15 8.735 -1.401 -1.950 132 2HB GLU 15 1HB GLU 15 8.145 -2.781 -2.865 133 1HG GLU 15 2HG GLU 15 9.272 -1.712 -4.511 134 2HG GLU 15 1HG GLU 15 7.706 -0.923 -4.691 135 H THR 16 H THR 16 5.407 -3.514 -1.916 136 HA THR 16 HA THR 16 5.839 -3.427 0.976 137 HB THR 16 HB THR 16 3.689 -2.566 0.964 138 HG1 THR 16 1HG THR 16 3.168 -5.327 0.856 139 1HG2 THR 16 1HG2 THR 16 3.366 -4.013 -1.567 140 2HG2 THR 16 2HG2 THR 16 2.738 -2.445 -1.060 141 3HG2 THR 16 3HG2 THR 16 1.931 -3.926 -0.547 142 H THR 17 H THR 17 5.193 -5.566 2.025 143 HA THR 17 HA THR 17 5.454 -7.843 0.206 144 HB THR 17 HB THR 17 7.264 -8.821 1.583 145 HG1 THR 17 1HG THR 17 8.304 -7.542 3.084 146 1HG2 THR 17 1HG2 THR 17 7.551 -6.958 -0.386 147 2HG2 THR 17 2HG2 THR 17 8.853 -7.915 0.322 148 3HG2 THR 17 3HG2 THR 17 8.530 -6.286 0.919 149 H THR 18 H THR 18 3.976 -9.287 0.689 150 HA THR 18 HA THR 18 2.986 -9.545 3.468 151 HB THR 18 HB THR 18 1.258 -8.993 1.807 152 HG1 THR 18 1HG THR 18 0.877 -10.546 3.565 153 1HG2 THR 18 1HG2 THR 18 2.282 -11.420 0.392 154 2HG2 THR 18 2HG2 THR 18 1.959 -9.809 -0.250 155 3HG2 THR 18 3HG2 THR 18 0.619 -10.865 0.195 156 H GLU 19 H GLU 19 2.924 -11.593 4.421 157 HA GLU 19 HA GLU 19 4.568 -13.633 3.074 158 1HB GLU 19 2HB GLU 19 5.370 -12.747 5.269 159 2HB GLU 19 1HB GLU 19 3.913 -13.383 6.017 160 1HG GLU 19 2HG GLU 19 5.952 -15.058 4.573 161 2HG GLU 19 1HG GLU 19 5.921 -14.804 6.316 162 H ALA 20 H ALA 20 3.453 -15.285 2.195 163 HA ALA 20 HA ALA 20 1.237 -16.433 3.687 164 1HB ALA 20 1HB ALA 20 -0.424 -16.072 2.149 165 2HB ALA 20 2HB ALA 20 0.709 -15.845 0.816 166 3HB ALA 20 3HB ALA 20 0.491 -14.570 2.015 167 H VAL 21 H VAL 21 0.631 -18.499 3.030 168 HA VAL 21 HA VAL 21 2.630 -20.281 2.440 169 HB VAL 21 HB VAL 21 -0.269 -20.732 1.738 170 1HG1 VAL 21 1HG1 VAL 21 0.160 -23.036 1.996 171 2HG1 VAL 21 2HG1 VAL 21 1.745 -22.741 2.709 172 3HG1 VAL 21 3HG1 VAL 21 1.474 -22.411 0.999 173 1HG2 VAL 21 1HG2 VAL 21 -0.204 -21.765 4.134 174 2HG2 VAL 21 2HG2 VAL 21 -0.452 -20.031 3.922 175 3HG2 VAL 21 3HG2 VAL 21 1.140 -20.646 4.367 176 H ASP 22 H ASP 22 0.697 -18.473 0.171 177 HA ASP 22 HA ASP 22 2.449 -19.300 -1.971 178 1HB ASP 22 2HB ASP 22 0.740 -20.144 -3.465 179 2HB ASP 22 1HB ASP 22 0.736 -21.084 -1.978 180 H ALA 23 H ALA 23 1.760 -18.201 -4.099 181 HA ALA 23 HA ALA 23 1.758 -15.452 -3.689 182 1HB ALA 23 1HB ALA 23 0.705 -16.404 -6.277 183 2HB ALA 23 2HB ALA 23 2.292 -17.011 -5.802 184 3HB ALA 23 3HB ALA 23 2.012 -15.274 -5.928 185 H ALA 24 H ALA 24 -0.926 -17.615 -4.470 186 HA ALA 24 HA ALA 24 -2.856 -15.582 -4.824 187 1HB ALA 24 1HB ALA 24 -4.108 -17.910 -3.759 188 2HB ALA 24 2HB ALA 24 -2.812 -18.427 -4.838 189 3HB ALA 24 3HB ALA 24 -4.075 -17.347 -5.430 190 H THR 25 H THR 25 -2.157 -17.660 -1.991 191 HA THR 25 HA THR 25 -3.914 -16.500 -0.203 192 HB THR 25 HB THR 25 -2.346 -17.288 1.550 193 HG1 THR 25 1HG THR 25 -0.358 -17.766 1.133 194 1HG2 THR 25 1HG2 THR 25 -2.048 -19.693 0.630 195 2HG2 THR 25 2HG2 THR 25 -3.041 -19.100 -0.701 196 3HG2 THR 25 3HG2 THR 25 -3.664 -19.063 0.949 197 H ALA 26 H ALA 26 -0.595 -15.601 -1.039 198 HA ALA 26 HA ALA 26 -0.353 -13.410 0.710 199 1HB ALA 26 1HB ALA 26 0.970 -14.016 -1.930 200 2HB ALA 26 2HB ALA 26 1.623 -14.263 -0.310 201 3HB ALA 26 3HB ALA 26 1.396 -12.628 -0.930 202 H GLU 27 H GLU 27 -1.287 -13.564 -2.739 203 HA GLU 27 HA GLU 27 -1.835 -10.892 -3.149 204 1HB GLU 27 2HB GLU 27 -1.790 -12.565 -4.943 205 2HB GLU 27 1HB GLU 27 -3.271 -13.279 -4.320 206 1HG GLU 27 2HG GLU 27 -3.156 -10.411 -5.173 207 2HG GLU 27 1HG GLU 27 -3.425 -11.709 -6.333 208 H LYS 28 H LYS 28 -3.971 -13.440 -1.921 209 HA LYS 28 HA LYS 28 -6.282 -11.862 -1.653 210 1HB LYS 28 2HB LYS 28 -5.405 -14.310 -0.110 211 2HB LYS 28 1HB LYS 28 -7.017 -13.612 -0.035 212 1HG LYS 28 2HG LYS 28 -5.702 -14.759 -2.488 213 2HG LYS 28 1HG LYS 28 -6.964 -15.527 -1.523 214 1HD LYS 28 2HD LYS 28 -8.491 -13.699 -2.063 215 2HD LYS 28 1HD LYS 28 -7.228 -12.917 -3.014 216 1HE LYS 28 2HE LYS 28 -7.173 -14.842 -4.524 217 2HE LYS 28 1HE LYS 28 -8.424 -15.632 -3.566 218 1HZ LYS 28 1HZ LYS 28 -9.990 -13.988 -4.184 219 2HZ LYS 28 2HZ LYS 28 -9.224 -14.475 -5.611 220 3HZ LYS 28 3HZ LYS 28 -8.806 -13.005 -4.887 221 H VAL 29 H VAL 29 -3.640 -12.592 0.575 222 HA VAL 29 HA VAL 29 -4.654 -11.313 2.843 223 HB VAL 29 HB VAL 29 -1.763 -11.570 1.989 224 1HG1 VAL 29 1HG1 VAL 29 -1.851 -11.635 4.739 225 2HG1 VAL 29 2HG1 VAL 29 -3.022 -10.382 4.326 226 3HG1 VAL 29 3HG1 VAL 29 -1.358 -10.259 3.749 227 1HG2 VAL 29 1HG2 VAL 29 -2.693 -13.351 4.083 228 2HG2 VAL 29 2HG2 VAL 29 -1.815 -13.715 2.598 229 3HG2 VAL 29 3HG2 VAL 29 -3.572 -13.583 2.573 230 H VAL 30 H VAL 30 -2.819 -10.070 0.105 231 HA VAL 30 HA VAL 30 -2.407 -7.456 1.082 232 HB VAL 30 HB VAL 30 -2.734 -8.370 -1.787 233 1HG1 VAL 30 1HG1 VAL 30 -2.844 -5.829 -1.073 234 2HG1 VAL 30 2HG1 VAL 30 -1.965 -6.346 -2.510 235 3HG1 VAL 30 3HG1 VAL 30 -1.091 -6.018 -1.013 236 1HG2 VAL 30 1HG2 VAL 30 -0.516 -8.925 -1.852 237 2HG2 VAL 30 2HG2 VAL 30 -0.890 -9.353 -0.183 238 3HG2 VAL 30 3HG2 VAL 30 -0.093 -7.821 -0.542 239 H LYS 31 H LYS 31 -5.006 -8.909 -0.900 240 HA LYS 31 HA LYS 31 -6.555 -6.705 -1.420 241 1HB LYS 31 2HB LYS 31 -7.597 -9.416 -0.584 242 2HB LYS 31 1HB LYS 31 -8.508 -8.188 -1.446 243 1HG LYS 31 2HG LYS 31 -6.082 -9.631 -2.484 244 2HG LYS 31 1HG LYS 31 -7.756 -9.954 -2.930 245 1HD LYS 31 2HD LYS 31 -6.675 -7.200 -3.266 246 2HD LYS 31 1HD LYS 31 -6.231 -8.441 -4.438 247 1HE LYS 31 2HE LYS 31 -8.185 -7.212 -5.196 248 2HE LYS 31 1HE LYS 31 -8.606 -8.888 -4.847 249 1HZ LYS 31 1HZ LYS 31 -8.974 -6.810 -2.791 250 2HZ LYS 31 2HZ LYS 31 -9.770 -8.294 -2.965 251 3HZ LYS 31 3HZ LYS 31 -10.128 -7.015 -4.012 252 H GLN 32 H GLN 32 -6.717 -8.782 1.442 253 HA GLN 32 HA GLN 32 -8.669 -7.348 2.837 254 1HB GLN 32 2HB GLN 32 -7.801 -9.627 3.431 255 2HB GLN 32 1HB GLN 32 -6.343 -8.860 4.043 256 1HG GLN 32 2HG GLN 32 -7.804 -9.372 5.869 257 2HG GLN 32 1HG GLN 32 -7.700 -7.624 5.674 258 1HE2 GLN 32 1HE2 GLN 32 -9.597 -8.971 3.231 259 2HE2 GLN 32 2HE2 GLN 32 -11.143 -8.679 3.935 260 H PHE 33 H PHE 33 -5.191 -6.954 2.626 261 HA PHE 33 HA PHE 33 -4.715 -5.108 4.630 262 1HB PHE 33 2HB PHE 33 -3.030 -6.240 3.103 263 2HB PHE 33 1HB PHE 33 -3.445 -5.040 1.883 264 HD1 PHE 33 1HD PHE 33 -2.401 -5.229 5.446 265 HD2 PHE 33 2HD PHE 33 -2.125 -3.155 1.727 266 HE1 PHE 33 1HE PHE 33 -0.772 -3.668 6.426 267 HE2 PHE 33 2HE PHE 33 -0.494 -1.606 2.714 268 HZ PHE 33 HZ PHE 33 0.184 -1.866 5.069 269 H PHE 34 H PHE 34 -5.151 -4.308 1.221 270 HA PHE 34 HA PHE 34 -5.665 -1.552 1.665 271 1HB PHE 34 2HB PHE 34 -6.311 -3.243 -0.754 272 2HB PHE 34 1HB PHE 34 -6.251 -1.479 -0.709 273 HD1 PHE 34 1HD PHE 34 -3.940 -0.797 0.739 274 HD2 PHE 34 2HD PHE 34 -4.497 -4.064 -1.921 275 HE1 PHE 34 1HE PHE 34 -1.517 -0.876 0.335 276 HE2 PHE 34 2HE PHE 34 -2.076 -4.142 -2.340 277 HZ PHE 34 HZ PHE 34 -0.590 -2.549 -1.200 278 H ASN 35 H ASN 35 -7.736 -4.352 1.256 279 HA ASN 35 HA ASN 35 -10.227 -3.202 0.963 280 1HB ASN 35 2HB ASN 35 -9.786 -5.633 0.938 281 2HB ASN 35 1HB ASN 35 -9.480 -5.590 2.670 282 1HD2 ASN 35 1HD2 ASN 35 -11.559 -6.748 0.703 283 2HD2 ASN 35 2HD2 ASN 35 -13.056 -6.454 1.512 284 H ASP 36 H ASP 36 -8.303 -3.674 3.840 285 HA ASP 36 HA ASP 36 -10.305 -2.367 5.519 286 1HB ASP 36 2HB ASP 36 -7.714 -3.735 6.254 287 2HB ASP 36 1HB ASP 36 -8.838 -3.026 7.410 288 H ASN 37 H ASN 37 -7.282 -1.630 3.983 289 HA ASN 37 HA ASN 37 -6.662 0.579 5.737 290 1HB ASN 37 2HB ASN 37 -5.556 -0.172 3.019 291 2HB ASN 37 1HB ASN 37 -4.962 1.165 3.996 292 1HD2 ASN 37 1HD2 ASN 37 -3.850 -1.509 3.015 293 2HD2 ASN 37 2HD2 ASN 37 -3.142 -2.184 4.440 294 H GLY 38 H GLY 38 -7.948 0.121 2.513 295 1HA GLY 38 2HA GLY 38 -8.431 2.073 1.079 296 2HA GLY 38 1HA GLY 38 -9.877 1.408 1.804 297 H VAL 39 H VAL 39 -11.205 2.848 2.557 298 HA VAL 39 HA VAL 39 -10.203 5.533 3.184 299 HB VAL 39 HB VAL 39 -13.031 4.645 2.679 300 1HG1 VAL 39 1HG1 VAL 39 -11.851 7.160 3.477 301 2HG1 VAL 39 2HG1 VAL 39 -13.547 6.691 3.386 302 3HG1 VAL 39 3HG1 VAL 39 -12.726 7.311 1.954 303 1HG2 VAL 39 1HG2 VAL 39 -11.050 5.859 0.758 304 2HG2 VAL 39 2HG2 VAL 39 -12.742 5.498 0.414 305 3HG2 VAL 39 3HG2 VAL 39 -11.611 4.186 0.746 306 H ASP 40 H ASP 40 -11.076 2.857 5.070 307 HA ASP 40 HA ASP 40 -12.008 4.685 7.176 308 1HB ASP 40 2HB ASP 40 -12.915 1.843 6.690 309 2HB ASP 40 1HB ASP 40 -13.378 2.833 8.071 310 H GLY 41 H GLY 41 -9.316 3.341 6.386 311 1HA GLY 41 2HA GLY 41 -8.740 1.593 8.587 312 2HA GLY 41 1HA GLY 41 -7.579 2.248 7.447 313 H GLU 42 H GLU 42 -6.934 1.982 10.092 314 HA GLU 42 HA GLU 42 -7.234 4.603 11.347 315 1HB GLU 42 2HB GLU 42 -5.859 2.092 12.330 316 2HB GLU 42 1HB GLU 42 -6.069 3.566 13.265 317 1HG GLU 42 2HG GLU 42 -8.494 3.292 13.151 318 2HG GLU 42 1HG GLU 42 -8.280 1.810 12.221 319 H TRP 43 H TRP 43 -5.950 6.046 10.307 320 HA TRP 43 HA TRP 43 -3.180 5.303 9.725 321 1HB TRP 43 2HB TRP 43 -4.797 7.695 8.844 322 2HB TRP 43 1HB TRP 43 -3.151 7.338 8.340 323 HD1 TRP 43 HD TRP 43 -5.765 4.530 8.467 324 HE1 TRP 43 1HE TRP 43 -6.242 3.761 6.059 325 HE3 TRP 43 3HE TRP 43 -3.146 8.115 5.945 326 HZ2 TRP 43 2HZ TRP 43 -5.592 4.571 3.437 327 HZ3 TRP 43 3HZ TRP 43 -3.123 8.050 3.492 328 HH2 TRP 43 HH TRP 43 -4.320 6.313 2.259 329 H THR 44 H THR 44 -1.579 5.946 10.995 330 HA THR 44 HA THR 44 -1.989 8.298 12.720 331 HB THR 44 HB THR 44 -0.228 7.321 14.176 332 HG1 THR 44 1HG THR 44 -0.433 5.098 12.430 333 1HG2 THR 44 1HG2 THR 44 -1.642 6.041 15.347 334 2HG2 THR 44 2HG2 THR 44 -2.048 5.030 13.961 335 3HG2 THR 44 3HG2 THR 44 -2.821 6.602 14.164 336 H TYR 45 H TYR 45 -0.458 9.939 12.676 337 HA TYR 45 HA TYR 45 1.573 9.681 10.558 338 1HB TYR 45 2HB TYR 45 -0.205 11.365 10.155 339 2HB TYR 45 1HB TYR 45 0.291 12.206 11.617 340 HD1 TYR 45 1HD TYR 45 2.647 10.666 9.227 341 HD2 TYR 45 2HD TYR 45 0.859 14.281 10.581 342 HE1 TYR 45 1HE TYR 45 4.276 11.955 7.913 343 HE2 TYR 45 2HE TYR 45 2.483 15.581 9.268 344 HH TYR 45 HH TYR 45 4.668 15.338 8.279 345 H ASP 46 H ASP 46 3.667 10.307 10.907 346 HA ASP 46 HA ASP 46 4.375 11.074 13.661 347 1HB ASP 46 2HB ASP 46 4.979 8.730 13.237 348 2HB ASP 46 1HB ASP 46 5.903 9.218 11.820 349 H ASP 47 H ASP 47 4.358 13.274 12.954 350 HA ASP 47 HA ASP 47 5.608 14.439 10.831 351 1HB ASP 47 2HB ASP 47 5.556 15.475 13.673 352 2HB ASP 47 1HB ASP 47 5.902 16.449 12.247 353 H ALA 48 H ALA 48 7.123 13.204 13.744 354 HA ALA 48 HA ALA 48 9.609 14.339 13.655 355 1HB ALA 48 1HB ALA 48 10.205 12.802 15.192 356 2HB ALA 48 2HB ALA 48 9.608 11.449 14.230 357 3HB ALA 48 3HB ALA 48 8.481 12.430 15.168 358 H THR 49 H THR 49 8.370 11.812 11.553 359 HA THR 49 HA THR 49 10.913 11.933 10.073 360 HB THR 49 HB THR 49 10.621 9.550 9.490 361 HG1 THR 49 1HG THR 49 9.054 8.349 10.518 362 1HG2 THR 49 1HG2 THR 49 10.460 9.565 12.453 363 2HG2 THR 49 2HG2 THR 49 11.799 10.401 11.669 364 3HG2 THR 49 3HG2 THR 49 11.543 8.680 11.381 365 H LYS 50 H LYS 50 8.052 13.130 9.802 366 HA LYS 50 HA LYS 50 6.537 13.563 8.123 367 1HB LYS 50 2HB LYS 50 9.015 13.084 6.452 368 2HB LYS 50 1HB LYS 50 7.560 13.891 5.892 369 1HG LYS 50 2HG LYS 50 9.271 14.871 8.165 370 2HG LYS 50 1HG LYS 50 9.409 15.426 6.497 371 1HD LYS 50 2HD LYS 50 6.934 15.638 8.210 372 2HD LYS 50 1HD LYS 50 8.065 16.952 7.877 373 1HE LYS 50 2HE LYS 50 7.575 16.732 5.476 374 2HE LYS 50 1HE LYS 50 6.404 15.467 5.844 375 1HZ LYS 50 1HZ LYS 50 5.022 16.994 6.950 376 2HZ LYS 50 2HZ LYS 50 5.484 17.769 5.519 377 3HZ LYS 50 3HZ LYS 50 6.215 18.196 6.984 378 H THR 51 H THR 51 6.553 10.867 9.006 379 HA THR 51 HA THR 51 5.810 9.485 6.518 380 HB THR 51 HB THR 51 7.207 8.347 8.941 381 HG1 THR 51 1HG THR 51 8.827 7.894 7.386 382 1HG2 THR 51 1HG2 THR 51 6.571 6.308 8.406 383 2HG2 THR 51 2HG2 THR 51 7.161 6.530 6.760 384 3HG2 THR 51 3HG2 THR 51 5.504 6.974 7.170 385 H PHE 52 H PHE 52 3.976 8.283 6.508 386 HA PHE 52 HA PHE 52 2.252 8.479 8.887 387 1HB PHE 52 2HB PHE 52 1.500 8.013 5.988 388 2HB PHE 52 1HB PHE 52 0.367 8.131 7.330 389 HD1 PHE 52 1HD PHE 52 -0.185 10.256 8.306 390 HD2 PHE 52 2HD PHE 52 2.635 9.981 5.132 391 HE1 PHE 52 1HE PHE 52 -0.347 12.686 7.958 392 HE2 PHE 52 2HE PHE 52 2.479 12.412 4.777 393 HZ PHE 52 HZ PHE 52 0.987 13.766 6.192 394 H THR 53 H THR 53 1.241 6.603 9.680 395 HA THR 53 HA THR 53 2.177 4.091 8.465 396 HB THR 53 HB THR 53 1.905 3.197 10.892 397 HG1 THR 53 1HG THR 53 2.254 5.970 11.346 398 1HG2 THR 53 1HG2 THR 53 4.154 4.614 9.662 399 2HG2 THR 53 2HG2 THR 53 4.074 3.012 10.403 400 3HG2 THR 53 3HG2 THR 53 4.235 4.448 11.417 401 H VAL 54 H VAL 54 0.698 2.757 7.804 402 HA VAL 54 HA VAL 54 -2.073 3.093 8.740 403 HB VAL 54 HB VAL 54 -1.064 1.735 6.223 404 1HG1 VAL 54 1HG1 VAL 54 -3.114 0.713 7.080 405 2HG1 VAL 54 2HG1 VAL 54 -3.417 1.597 5.585 406 3HG1 VAL 54 3HG1 VAL 54 -3.886 2.298 7.135 407 1HG2 VAL 54 1HG2 VAL 54 -2.599 3.772 5.363 408 2HG2 VAL 54 2HG2 VAL 54 -0.853 3.888 5.578 409 3HG2 VAL 54 3HG2 VAL 54 -1.938 4.485 6.834 410 H THR 55 H THR 55 -2.533 1.715 10.339 411 HA THR 55 HA THR 55 -1.217 -0.902 10.341 412 HB THR 55 HB THR 55 -2.765 0.344 12.605 413 HG1 THR 55 1HG THR 55 0.039 0.369 12.194 414 1HG2 THR 55 1HG2 THR 55 -1.279 -1.129 13.968 415 2HG2 THR 55 2HG2 THR 55 -0.778 -1.906 12.463 416 3HG2 THR 55 3HG2 THR 55 -2.465 -1.982 12.978 417 H GLU 56 H GLU 56 -2.281 -2.543 9.527 418 HA GLU 56 HA GLU 56 -4.938 -2.619 8.783 419 1HB GLU 56 2HB GLU 56 -3.339 -4.224 7.943 420 2HB GLU 56 1HB GLU 56 -3.089 -4.882 9.552 421 1HG GLU 56 2HG GLU 56 -4.475 -6.343 8.188 422 2HG GLU 56 1HG GLU 56 -5.363 -5.731 9.584 423 1H MET 1 1HT MET 1 5.660 18.263 -2.296 424 2H MET 1 2HT MET 1 7.105 18.533 -3.133 425 3H MET 1 3HT MET 1 6.617 19.607 -1.921 426 HA MET 1 HA MET 1 8.433 17.906 -1.380 427 1HB MET 1 2HB MET 1 7.343 19.381 0.246 428 2HB MET 1 1HB MET 1 5.979 18.279 0.353 429 1HG MET 1 2HG MET 1 7.448 18.033 2.265 430 2HG MET 1 1HG MET 1 7.424 16.561 1.296 431 1HE MET 1 1HE MET 1 10.463 17.339 3.359 432 2HE MET 1 2HE MET 1 10.732 15.936 2.322 433 3HE MET 1 3HE MET 1 9.144 16.212 3.040 434 H GLN 2 H GLN 2 8.790 15.799 -0.592 435 HA GLN 2 HA GLN 2 6.791 13.841 -1.492 436 1HB GLN 2 2HB GLN 2 8.957 13.691 -2.626 437 2HB GLN 2 1HB GLN 2 9.771 13.528 -1.077 438 1HG GLN 2 2HG GLN 2 8.604 11.420 -0.685 439 2HG GLN 2 1HG GLN 2 7.792 11.581 -2.238 440 1HE2 GLN 2 1HE2 GLN 2 10.818 12.811 -2.683 441 2HE2 GLN 2 2HE2 GLN 2 11.619 11.392 -3.250 442 H TYR 3 H TYR 3 6.149 12.170 -0.137 443 HA TYR 3 HA TYR 3 7.134 12.303 2.635 444 1HB TYR 3 2HB TYR 3 4.261 11.991 1.743 445 2HB TYR 3 1HB TYR 3 4.821 11.830 3.405 446 HD1 TYR 3 1HD TYR 3 4.685 13.681 4.783 447 HD2 TYR 3 2HD TYR 3 4.957 14.271 0.577 448 HE1 TYR 3 1HE TYR 3 4.423 16.104 5.109 449 HE2 TYR 3 2HE TYR 3 4.697 16.695 0.893 450 HH TYR 3 HH TYR 3 4.122 18.087 4.100 451 H LYS 4 H LYS 4 7.223 10.358 3.766 452 HA LYS 4 HA LYS 4 7.100 7.983 2.041 453 1HB LYS 4 2HB LYS 4 9.286 8.515 3.077 454 2HB LYS 4 1HB LYS 4 8.551 8.365 4.668 455 1HG LYS 4 2HG LYS 4 8.056 6.012 4.217 456 2HG LYS 4 1HG LYS 4 8.800 6.167 2.624 457 1HD LYS 4 2HD LYS 4 10.934 6.758 3.693 458 2HD LYS 4 1HD LYS 4 10.184 6.562 5.278 459 1HE LYS 4 2HE LYS 4 11.444 4.575 4.708 460 2HE LYS 4 1HE LYS 4 9.721 4.206 4.746 461 1HZ LYS 4 1HZ LYS 4 10.243 4.935 2.150 462 2HZ LYS 4 2HZ LYS 4 9.991 3.364 2.724 463 3HZ LYS 4 3HZ LYS 4 11.564 3.973 2.591 464 H VAL 5 H VAL 5 5.234 6.939 2.230 465 HA VAL 5 HA VAL 5 3.849 6.889 4.802 466 HB VAL 5 HB VAL 5 2.930 5.849 2.116 467 1HG1 VAL 5 1HG1 VAL 5 1.666 5.979 4.815 468 2HG1 VAL 5 2HG1 VAL 5 1.631 4.685 3.619 469 3HG1 VAL 5 3HG1 VAL 5 0.660 6.136 3.375 470 1HG2 VAL 5 1HG2 VAL 5 3.321 8.374 2.409 471 2HG2 VAL 5 2HG2 VAL 5 1.915 8.321 3.472 472 3HG2 VAL 5 3HG2 VAL 5 1.761 7.838 1.784 473 H ILE 6 H ILE 6 3.764 5.144 6.069 474 HA ILE 6 HA ILE 6 5.093 2.707 5.123 475 HB ILE 6 HB ILE 6 4.658 3.800 7.898 476 1HG1 ILE 6 2HG1 ILE 6 7.167 3.061 6.380 477 2HG1 ILE 6 1HG1 ILE 6 6.548 4.694 6.577 478 1HG2 ILE 6 1HG2 ILE 6 5.136 1.028 7.040 479 2HG2 ILE 6 2HG2 ILE 6 4.460 1.655 8.543 480 3HG2 ILE 6 3HG2 ILE 6 6.208 1.622 8.310 481 1HD1 ILE 6 1HD1 ILE 6 7.691 2.872 8.662 482 2HD1 ILE 6 2HD1 ILE 6 6.758 4.311 9.073 483 3HD1 ILE 6 3HD1 ILE 6 8.259 4.464 8.158 484 H LEU 7 H LEU 7 3.826 1.113 4.528 485 HA LEU 7 HA LEU 7 1.111 0.929 5.579 486 1HB LEU 7 2HB LEU 7 2.538 -0.342 3.247 487 2HB LEU 7 1HB LEU 7 0.960 -0.883 3.767 488 HG LEU 7 HG LEU 7 1.609 1.910 2.843 489 1HD1 LEU 7 1HD1 LEU 7 1.314 -0.378 1.307 490 2HD1 LEU 7 2HD1 LEU 7 1.144 1.288 0.755 491 3HD1 LEU 7 3HD1 LEU 7 -0.279 0.379 1.263 492 1HD2 LEU 7 1HD2 LEU 7 -0.451 2.533 3.461 493 2HD2 LEU 7 2HD2 LEU 7 -0.414 1.116 4.507 494 3HD2 LEU 7 3HD2 LEU 7 -1.174 1.017 2.921 495 H ASN 8 H ASN 8 1.712 0.257 7.656 496 HA ASN 8 HA ASN 8 3.084 -2.290 7.973 497 1HB ASN 8 2HB ASN 8 3.711 -0.358 9.364 498 2HB ASN 8 1HB ASN 8 2.082 -0.305 10.022 499 1HD2 ASN 8 1HD2 ASN 8 4.992 -0.984 10.919 500 2HD2 ASN 8 2HD2 ASN 8 4.747 -2.352 11.949 501 H GLY 9 H GLY 9 1.827 -4.059 7.735 502 1HA GLY 9 2HA GLY 9 -0.794 -4.049 9.105 503 2HA GLY 9 1HA GLY 9 -0.460 -4.965 7.643 504 H LYS 10 H LYS 10 -1.408 -6.650 9.145 505 HA LYS 10 HA LYS 10 0.384 -7.675 11.169 506 1HB LYS 10 2HB LYS 10 -2.160 -8.855 10.028 507 2HB LYS 10 1HB LYS 10 -1.305 -9.442 11.447 508 1HG LYS 10 2HG LYS 10 -1.765 -7.352 12.606 509 2HG LYS 10 1HG LYS 10 -2.590 -6.732 11.177 510 1HD LYS 10 2HD LYS 10 -3.411 -9.160 12.771 511 2HD LYS 10 1HD LYS 10 -4.178 -7.572 12.847 512 1HE LYS 10 2HE LYS 10 -4.755 -7.755 10.464 513 2HE LYS 10 1HE LYS 10 -4.018 -9.356 10.419 514 1HZ LYS 10 1HZ LYS 10 -6.449 -8.512 11.881 515 2HZ LYS 10 2HZ LYS 10 -5.649 -9.963 12.223 516 3HZ LYS 10 3HZ LYS 10 -6.309 -9.703 10.687 517 H THR 11 H THR 11 -0.971 -8.892 8.119 518 HA THR 11 HA THR 11 1.175 -10.857 7.925 519 HB THR 11 HB THR 11 -0.330 -11.599 5.950 520 HG1 THR 11 1HG THR 11 -2.569 -10.965 6.447 521 1HG2 THR 11 1HG2 THR 11 -0.695 -12.021 8.814 522 2HG2 THR 11 2HG2 THR 11 -0.635 -13.185 7.490 523 3HG2 THR 11 3HG2 THR 11 -2.138 -12.334 7.847 524 H LEU 12 H LEU 12 0.604 -7.754 6.970 525 HA LEU 12 HA LEU 12 2.318 -8.088 4.620 526 1HB LEU 12 2HB LEU 12 0.047 -7.747 3.841 527 2HB LEU 12 1HB LEU 12 -0.105 -6.304 4.828 528 HG LEU 12 HG LEU 12 1.428 -5.107 3.447 529 1HD1 LEU 12 1HD1 LEU 12 3.148 -6.225 2.599 530 2HD1 LEU 12 2HD1 LEU 12 2.059 -6.768 1.319 531 3HD1 LEU 12 3HD1 LEU 12 2.307 -7.762 2.750 532 1HD2 LEU 12 1HD2 LEU 12 -0.079 -4.734 1.855 533 2HD2 LEU 12 2HD2 LEU 12 -0.996 -6.077 2.539 534 3HD2 LEU 12 3HD2 LEU 12 0.108 -6.357 1.193 535 H LYS 13 H LYS 13 3.997 -6.781 4.494 536 HA LYS 13 HA LYS 13 4.141 -4.416 6.243 537 1HB LYS 13 2HB LYS 13 6.377 -6.404 5.775 538 2HB LYS 13 1HB LYS 13 6.456 -4.972 6.789 539 1HG LYS 13 2HG LYS 13 4.523 -7.208 7.315 540 2HG LYS 13 1HG LYS 13 6.165 -7.195 7.960 541 1HD LYS 13 2HD LYS 13 4.134 -5.011 8.404 542 2HD LYS 13 1HD LYS 13 4.462 -6.319 9.543 543 1HE LYS 13 2HE LYS 13 6.831 -5.581 9.624 544 2HE LYS 13 1HE LYS 13 6.403 -4.213 8.597 545 1HZ LYS 13 1HZ LYS 13 5.887 -4.645 11.417 546 2HZ LYS 13 2HZ LYS 13 4.606 -3.965 10.546 547 3HZ LYS 13 3HZ LYS 13 6.114 -3.200 10.563 548 H GLY 14 H GLY 14 4.780 -2.607 5.135 549 1HA GLY 14 2HA GLY 14 6.662 -2.779 2.978 550 2HA GLY 14 1HA GLY 14 5.027 -2.508 2.406 551 H GLU 15 H GLU 15 6.683 -0.677 1.667 552 HA GLU 15 HA GLU 15 5.956 1.648 3.281 553 1HB GLU 15 2HB GLU 15 8.738 1.241 2.162 554 2HB GLU 15 1HB GLU 15 8.169 2.635 3.069 555 1HG GLU 15 2HG GLU 15 9.245 1.539 4.731 556 2HG GLU 15 1HG GLU 15 7.660 0.788 4.889 557 H THR 16 H THR 16 5.463 3.435 2.082 558 HA THR 16 HA THR 16 5.934 3.336 -0.803 559 HB THR 16 HB THR 16 3.765 2.528 -0.822 560 HG1 THR 16 1HG THR 16 3.309 5.301 -0.722 561 1HG2 THR 16 1HG2 THR 16 3.440 3.983 1.704 562 2HG2 THR 16 2HG2 THR 16 2.782 2.430 1.189 563 3HG2 THR 16 3HG2 THR 16 2.018 3.930 0.663 564 H THR 17 H THR 17 5.355 5.491 -1.861 565 HA THR 17 HA THR 17 5.645 7.760 -0.038 566 HB THR 17 HB THR 17 7.498 8.695 -1.390 567 HG1 THR 17 1HG THR 17 8.528 7.389 -2.877 568 1HG2 THR 17 1HG2 THR 17 7.713 6.826 0.582 569 2HG2 THR 17 2HG2 THR 17 9.046 7.750 -0.106 570 3HG2 THR 17 3HG2 THR 17 8.693 6.130 -0.709 571 H THR 18 H THR 18 4.210 9.241 -0.543 572 HA THR 18 HA THR 18 3.267 9.523 -3.335 573 HB THR 18 HB THR 18 1.501 9.012 -1.699 574 HG1 THR 18 1HG THR 18 1.184 10.575 -3.461 575 1HG2 THR 18 1HG2 THR 18 2.564 11.414 -0.269 576 2HG2 THR 18 2HG2 THR 18 2.194 9.812 0.370 577 3HG2 THR 18 3HG2 THR 18 0.886 10.900 -0.095 578 H GLU 19 H GLU 19 3.268 11.570 -4.288 579 HA GLU 19 HA GLU 19 4.941 13.570 -2.917 580 1HB GLU 19 2HB GLU 19 5.753 12.664 -5.102 581 2HB GLU 19 1HB GLU 19 4.322 13.335 -5.870 582 1HG GLU 19 2HG GLU 19 6.381 14.961 -4.397 583 2HG GLU 19 1HG GLU 19 6.369 14.708 -6.141 584 H ALA 20 H ALA 20 3.855 15.249 -2.053 585 HA ALA 20 HA ALA 20 1.687 16.450 -3.577 586 1HB ALA 20 1HB ALA 20 -0.003 16.130 -2.063 587 2HB ALA 20 2HB ALA 20 1.105 15.874 -0.714 588 3HB ALA 20 3HB ALA 20 0.873 14.606 -1.916 589 H VAL 21 H VAL 21 1.124 18.531 -2.928 590 HA VAL 21 HA VAL 21 3.156 20.263 -2.310 591 HB VAL 21 HB VAL 21 0.259 20.785 -1.649 592 1HG1 VAL 21 1HG1 VAL 21 0.747 23.078 -1.900 593 2HG1 VAL 21 2HG1 VAL 21 2.334 22.743 -2.593 594 3HG1 VAL 21 3HG1 VAL 21 2.030 22.421 -0.885 595 1HG2 VAL 21 1HG2 VAL 21 0.383 21.814 -4.043 596 2HG2 VAL 21 2HG2 VAL 21 0.089 20.087 -3.835 597 3HG2 VAL 21 3HG2 VAL 21 1.703 20.664 -4.258 598 H ASP 22 H ASP 22 1.147 18.503 -0.069 599 HA ASP 22 HA ASP 22 2.890 19.286 2.097 600 1HB ASP 22 2HB ASP 22 1.182 20.173 3.568 601 2HB ASP 22 1HB ASP 22 1.219 21.113 2.082 602 H ALA 23 H ALA 23 2.144 18.206 4.216 603 HA ALA 23 HA ALA 23 2.081 15.459 3.806 604 1HB ALA 23 1HB ALA 23 1.015 16.437 6.378 605 2HB ALA 23 2HB ALA 23 2.623 17.003 5.926 606 3HB ALA 23 3HB ALA 23 2.299 15.273 6.049 607 H ALA 24 H ALA 24 -0.560 17.687 4.548 608 HA ALA 24 HA ALA 24 -2.544 15.701 4.874 609 1HB ALA 24 1HB ALA 24 -3.725 18.059 3.793 610 2HB ALA 24 2HB ALA 24 -2.431 18.543 4.890 611 3HB ALA 24 3HB ALA 24 -3.728 17.494 5.465 612 H THR 25 H THR 25 -1.755 17.759 2.053 613 HA THR 25 HA THR 25 -3.513 16.643 0.239 614 HB THR 25 HB THR 25 -1.902 17.392 -1.491 615 HG1 THR 25 1HG THR 25 0.090 17.820 -1.046 616 1HG2 THR 25 1HG2 THR 25 -1.559 19.790 -0.566 617 2HG2 THR 25 2HG2 THR 25 -2.586 19.221 0.750 618 3HG2 THR 25 3HG2 THR 25 -3.185 19.197 -0.910 619 H ALA 26 H ALA 26 -0.230 15.663 1.121 620 HA ALA 26 HA ALA 26 -0.017 13.467 -0.623 621 1HB ALA 26 1HB ALA 26 1.282 14.041 2.035 622 2HB ALA 26 2HB ALA 26 1.965 14.272 0.425 623 3HB ALA 26 3HB ALA 26 1.689 12.643 1.041 624 H GLU 27 H GLU 27 -0.996 13.644 2.812 625 HA GLU 27 HA GLU 27 -1.614 10.986 3.214 626 1HB GLU 27 2HB GLU 27 -1.554 12.658 5.008 627 2HB GLU 27 1HB GLU 27 -3.007 13.407 4.365 628 1HG GLU 27 2HG GLU 27 -2.975 10.538 5.220 629 2HG GLU 27 1HG GLU 27 -3.228 11.843 6.375 630 H LYS 28 H LYS 28 -3.671 13.586 1.956 631 HA LYS 28 HA LYS 28 -6.015 12.063 1.656 632 1HB LYS 28 2HB LYS 28 -5.056 14.491 0.125 633 2HB LYS 28 1HB LYS 28 -6.684 13.831 0.027 634 1HG LYS 28 2HG LYS 28 -5.376 14.946 2.499 635 2HG LYS 28 1HG LYS 28 -6.605 15.744 1.516 636 1HD LYS 28 2HD LYS 28 -8.185 13.954 2.034 637 2HD LYS 28 1HD LYS 28 -6.954 13.142 3.003 638 1HE LYS 28 2HE LYS 28 -6.873 15.065 4.513 639 2HE LYS 28 1HE LYS 28 -8.092 15.886 3.538 640 1HZ LYS 28 1HZ LYS 28 -9.706 14.280 4.134 641 2HZ LYS 28 2HZ LYS 28 -8.946 14.749 5.571 642 3HZ LYS 28 3HZ LYS 28 -8.556 13.269 4.854 643 H VAL 29 H VAL 29 -3.325 12.729 -0.535 644 HA VAL 29 HA VAL 29 -4.337 11.474 -2.817 645 HB VAL 29 HB VAL 29 -1.453 11.661 -1.922 646 1HG1 VAL 29 1HG1 VAL 29 -1.500 11.729 -4.674 647 2HG1 VAL 29 2HG1 VAL 29 -2.707 10.504 -4.278 648 3HG1 VAL 29 3HG1 VAL 29 -1.055 10.340 -3.676 649 1HG2 VAL 29 1HG2 VAL 29 -2.310 13.464 -4.030 650 2HG2 VAL 29 2HG2 VAL 29 -1.444 13.807 -2.532 651 3HG2 VAL 29 3HG2 VAL 29 -3.205 13.717 -2.531 652 H VAL 30 H VAL 30 -2.572 10.189 -0.053 653 HA VAL 30 HA VAL 30 -2.211 7.565 -1.027 654 HB VAL 30 HB VAL 30 -2.555 8.487 1.838 655 1HG1 VAL 30 1HG1 VAL 30 -2.717 5.948 1.122 656 2HG1 VAL 30 2HG1 VAL 30 -1.845 6.443 2.572 657 3HG1 VAL 30 3HG1 VAL 30 -0.959 6.094 1.088 658 1HG2 VAL 30 1HG2 VAL 30 -0.325 8.987 1.935 659 2HG2 VAL 30 2HG2 VAL 30 -0.666 9.424 0.261 660 3HG2 VAL 30 3HG2 VAL 30 0.089 7.874 0.632 661 H LYS 31 H LYS 31 -4.801 9.081 0.919 662 HA LYS 31 HA LYS 31 -6.411 6.915 1.418 663 1HB LYS 31 2HB LYS 31 -7.373 9.652 0.568 664 2HB LYS 31 1HB LYS 31 -8.326 8.446 1.418 665 1HG LYS 31 2HG LYS 31 -5.879 9.829 2.489 666 2HG LYS 31 1HG LYS 31 -7.552 10.191 2.911 667 1HD LYS 31 2HD LYS 31 -6.542 7.413 3.263 668 2HD LYS 31 1HD LYS 31 -6.087 8.644 4.440 669 1HE LYS 31 2HE LYS 31 -8.080 7.462 5.170 670 2HE LYS 31 1HE LYS 31 -8.454 9.147 4.815 671 1HZ LYS 31 1HZ LYS 31 -8.844 7.080 2.754 672 2HZ LYS 31 2HZ LYS 31 -9.606 8.581 2.918 673 3HZ LYS 31 3HZ LYS 31 -10.010 7.313 3.958 674 H GLN 32 H GLN 32 -6.480 8.994 -1.446 675 HA GLN 32 HA GLN 32 -8.447 7.608 -2.869 676 1HB GLN 32 2HB GLN 32 -7.516 9.866 -3.450 677 2HB GLN 32 1HB GLN 32 -6.069 9.063 -4.042 678 1HG GLN 32 2HG GLN 32 -7.490 9.609 -5.888 679 2HG GLN 32 1HG GLN 32 -7.432 7.861 -5.692 680 1HE2 GLN 32 1HE2 GLN 32 -9.329 9.253 -3.274 681 2HE2 GLN 32 2HE2 GLN 32 -10.873 8.999 -4.001 682 H PHE 33 H PHE 33 -4.983 7.130 -2.610 683 HA PHE 33 HA PHE 33 -4.522 5.273 -4.605 684 1HB PHE 33 2HB PHE 33 -2.833 6.365 -3.054 685 2HB PHE 33 1HB PHE 33 -3.294 5.176 -1.842 686 HD1 PHE 33 1HD PHE 33 -2.196 5.338 -5.388 687 HD2 PHE 33 2HD PHE 33 -2.023 3.256 -1.667 688 HE1 PHE 33 1HE PHE 33 -0.592 3.737 -6.346 689 HE2 PHE 33 2HE PHE 33 -0.416 1.671 -2.631 690 HZ PHE 33 HZ PHE 33 0.302 1.912 -4.977 691 H PHE 34 H PHE 34 -5.027 4.484 -1.204 692 HA PHE 34 HA PHE 34 -5.603 1.742 -1.656 693 1HB PHE 34 2HB PHE 34 -6.240 3.448 0.754 694 2HB PHE 34 1HB PHE 34 -6.224 1.682 0.710 695 HD1 PHE 34 1HD PHE 34 -3.908 0.944 -0.704 696 HD2 PHE 34 2HD PHE 34 -4.424 4.225 1.946 697 HE1 PHE 34 1HE PHE 34 -1.491 0.964 -0.267 698 HE2 PHE 34 2HE PHE 34 -2.007 4.245 2.400 699 HZ PHE 34 HZ PHE 34 -0.544 2.616 1.281 700 H ASN 35 H ASN 35 -7.609 4.590 -1.274 701 HA ASN 35 HA ASN 35 -10.132 3.503 -1.017 702 1HB ASN 35 2HB ASN 35 -9.631 5.923 -0.986 703 2HB ASN 35 1HB ASN 35 -9.302 5.872 -2.714 704 1HD2 ASN 35 1HD2 ASN 35 -11.380 7.080 -0.776 705 2HD2 ASN 35 2HD2 ASN 35 -12.873 6.821 -1.607 706 H ASP 36 H ASP 36 -8.157 3.927 -3.868 707 HA ASP 36 HA ASP 36 -10.165 2.668 -5.575 708 1HB ASP 36 2HB ASP 36 -7.531 3.972 -6.274 709 2HB ASP 36 1HB ASP 36 -8.657 3.291 -7.444 710 H ASN 37 H ASN 37 -7.183 1.859 -3.996 711 HA ASN 37 HA ASN 37 -6.592 -0.365 -5.741 712 1HB ASN 37 2HB ASN 37 -5.507 0.358 -3.007 713 2HB ASN 37 1HB ASN 37 -4.930 -0.992 -3.975 714 1HD2 ASN 37 1HD2 ASN 37 -3.769 1.655 -2.979 715 2HD2 ASN 37 2HD2 ASN 37 -3.024 2.311 -4.395 716 H GLY 38 H GLY 38 -7.912 0.124 -2.536 717 1HA GLY 38 2HA GLY 38 -8.461 -1.815 -1.109 718 2HA GLY 38 1HA GLY 38 -9.881 -1.116 -1.854 719 H VAL 39 H VAL 39 -11.233 -2.523 -2.626 720 HA VAL 39 HA VAL 39 -10.289 -5.232 -3.239 721 HB VAL 39 HB VAL 39 -13.102 -4.274 -2.775 722 1HG1 VAL 39 1HG1 VAL 39 -11.972 -6.817 -3.557 723 2HG1 VAL 39 2HG1 VAL 39 -13.656 -6.308 -3.489 724 3HG1 VAL 39 3HG1 VAL 39 -12.870 -6.948 -2.047 725 1HG2 VAL 39 1HG2 VAL 39 -11.177 -5.536 -0.825 726 2HG2 VAL 39 2HG2 VAL 39 -12.865 -5.134 -0.506 727 3HG2 VAL 39 3HG2 VAL 39 -11.697 -3.850 -0.821 728 H ASP 40 H ASP 40 -11.070 -2.536 -5.138 729 HA ASP 40 HA ASP 40 -12.016 -4.341 -7.256 730 1HB ASP 40 2HB ASP 40 -12.859 -1.477 -6.783 731 2HB ASP 40 1HB ASP 40 -13.328 -2.456 -8.171 732 H GLY 41 H GLY 41 -9.303 -3.063 -6.427 733 1HA GLY 41 2HA GLY 41 -8.655 -1.329 -8.621 734 2HA GLY 41 1HA GLY 41 -7.525 -2.012 -7.464 735 H GLU 42 H GLU 42 -6.837 -1.762 -10.100 736 HA GLU 42 HA GLU 42 -7.183 -4.376 -11.360 737 1HB GLU 42 2HB GLU 42 -5.734 -1.899 -12.323 738 2HB GLU 42 1HB GLU 42 -5.965 -3.369 -13.261 739 1HG GLU 42 2HG GLU 42 -8.385 -3.034 -13.181 740 2HG GLU 42 1HG GLU 42 -8.148 -1.557 -12.248 741 H TRP 43 H TRP 43 -5.948 -5.848 -10.301 742 HA TRP 43 HA TRP 43 -3.169 -5.173 -9.680 743 1HB TRP 43 2HB TRP 43 -4.857 -7.525 -8.822 744 2HB TRP 43 1HB TRP 43 -3.209 -7.208 -8.295 745 HD1 TRP 43 HD TRP 43 -5.752 -4.337 -8.458 746 HE1 TRP 43 1HE TRP 43 -6.245 -3.557 -6.058 747 HE3 TRP 43 3HE TRP 43 -3.256 -7.983 -5.901 748 HZ2 TRP 43 2HZ TRP 43 -5.653 -4.382 -3.426 749 HZ3 TRP 43 3HZ TRP 43 -3.268 -7.920 -3.448 750 HH2 TRP 43 HH TRP 43 -4.441 -6.155 -2.231 751 H THR 44 H THR 44 -1.567 -5.855 -10.926 752 HA THR 44 HA THR 44 -2.010 -8.197 -12.660 753 HB THR 44 HB THR 44 -0.205 -7.263 -14.090 754 HG1 THR 44 1HG THR 44 -0.382 -5.036 -12.345 755 1HG2 THR 44 1HG2 THR 44 -1.572 -5.950 -15.281 756 2HG2 THR 44 2HG2 THR 44 -1.973 -4.928 -13.900 757 3HG2 THR 44 3HG2 THR 44 -2.781 -6.483 -14.113 758 H TYR 45 H TYR 45 -0.520 -9.875 -12.594 759 HA TYR 45 HA TYR 45 1.487 -9.666 -10.446 760 1HB TYR 45 2HB TYR 45 -0.338 -11.305 -10.069 761 2HB TYR 45 1HB TYR 45 0.159 -12.160 -11.525 762 HD1 TYR 45 1HD TYR 45 2.517 -10.676 -9.102 763 HD2 TYR 45 2HD TYR 45 0.662 -14.248 -10.481 764 HE1 TYR 45 1HE TYR 45 4.094 -12.004 -7.764 765 HE2 TYR 45 2HE TYR 45 2.234 -15.585 -9.145 766 HH TYR 45 HH TYR 45 4.411 -15.396 -8.125 767 H ASP 46 H ASP 46 3.569 -10.343 -10.766 768 HA ASP 46 HA ASP 46 4.298 -11.127 -13.510 769 1HB ASP 46 2HB ASP 46 4.952 -8.798 -13.077 770 2HB ASP 46 1HB ASP 46 5.844 -9.308 -11.647 771 H ASP 47 H ASP 47 4.218 -13.325 -12.806 772 HA ASP 47 HA ASP 47 5.408 -14.520 -10.663 773 1HB ASP 47 2HB ASP 47 5.370 -15.556 -13.507 774 2HB ASP 47 1HB ASP 47 5.674 -16.537 -12.077 775 H ALA 48 H ALA 48 6.994 -13.323 -13.555 776 HA ALA 48 HA ALA 48 9.451 -14.518 -13.432 777 1HB ALA 48 1HB ALA 48 10.105 -12.996 -14.959 778 2HB ALA 48 2HB ALA 48 9.528 -11.630 -14.006 779 3HB ALA 48 3HB ALA 48 8.390 -12.582 -14.958 780 H THR 49 H THR 49 8.243 -11.961 -11.346 781 HA THR 49 HA THR 49 10.760 -12.144 -9.829 782 HB THR 49 HB THR 49 10.518 -9.754 -9.251 783 HG1 THR 49 1HG THR 49 8.997 -8.515 -10.302 784 1HG2 THR 49 1HG2 THR 49 10.398 -9.766 -12.216 785 2HG2 THR 49 2HG2 THR 49 11.707 -10.634 -11.413 786 3HG2 THR 49 3HG2 THR 49 11.488 -8.907 -11.127 787 H LYS 50 H LYS 50 7.870 -13.271 -9.600 788 HA LYS 50 HA LYS 50 6.320 -13.667 -7.942 789 1HB LYS 50 2HB LYS 50 8.785 -13.248 -6.238 790 2HB LYS 50 1HB LYS 50 7.302 -14.018 -5.698 791 1HG LYS 50 2HG LYS 50 9.021 -15.040 -7.946 792 2HG LYS 50 1HG LYS 50 9.123 -15.598 -6.276 793 1HD LYS 50 2HD LYS 50 6.668 -15.750 -8.024 794 2HD LYS 50 1HD LYS 50 7.761 -17.092 -7.676 795 1HE LYS 50 2HE LYS 50 7.244 -16.860 -5.280 796 2HE LYS 50 1HE LYS 50 6.108 -15.567 -5.668 797 1HZ LYS 50 1HZ LYS 50 4.706 -17.061 -6.792 798 2HZ LYS 50 2HZ LYS 50 5.128 -17.844 -5.355 799 3HZ LYS 50 3HZ LYS 50 5.869 -18.289 -6.809 800 H THR 51 H THR 51 6.414 -10.972 -8.825 801 HA THR 51 HA THR 51 5.670 -9.572 -6.346 802 HB THR 51 HB THR 51 7.128 -8.469 -8.750 803 HG1 THR 51 1HG THR 51 8.736 -8.055 -7.172 804 1HG2 THR 51 1HG2 THR 51 6.534 -6.414 -8.224 805 2HG2 THR 51 2HG2 THR 51 7.095 -6.653 -6.569 806 3HG2 THR 51 3HG2 THR 51 5.434 -7.054 -7.004 807 H PHE 52 H PHE 52 3.865 -8.325 -6.363 808 HA PHE 52 HA PHE 52 2.171 -8.480 -8.766 809 1HB PHE 52 2HB PHE 52 1.389 -7.996 -5.879 810 2HB PHE 52 1HB PHE 52 0.273 -8.086 -7.235 811 HD1 PHE 52 1HD PHE 52 -0.317 -10.198 -8.221 812 HD2 PHE 52 2HD PHE 52 2.464 -9.991 -5.006 813 HE1 PHE 52 1HE PHE 52 -0.542 -12.623 -7.875 814 HE2 PHE 52 2HE PHE 52 2.243 -12.417 -4.654 815 HZ PHE 52 HZ PHE 52 0.741 -13.735 -6.090 816 H THR 53 H THR 53 1.216 -6.580 -9.573 817 HA THR 53 HA THR 53 2.196 -4.092 -8.344 818 HB THR 53 HB THR 53 1.981 -3.192 -10.775 819 HG1 THR 53 1HG THR 53 2.269 -5.974 -11.224 820 1HG2 THR 53 1HG2 THR 53 4.177 -4.661 -9.515 821 2HG2 THR 53 2HG2 THR 53 4.146 -3.060 -10.255 822 3HG2 THR 53 3HG2 THR 53 4.287 -4.498 -11.267 823 H VAL 54 H VAL 54 0.741 -2.723 -7.704 824 HA VAL 54 HA VAL 54 -2.024 -2.991 -8.680 825 HB VAL 54 HB VAL 54 -1.018 -1.657 -6.148 826 1HG1 VAL 54 1HG1 VAL 54 -3.030 -0.586 -7.036 827 2HG1 VAL 54 2HG1 VAL 54 -3.377 -1.462 -5.544 828 3HG1 VAL 54 3HG1 VAL 54 -3.839 -2.151 -7.101 829 1HG2 VAL 54 1HG2 VAL 54 -2.614 -3.656 -5.310 830 2HG2 VAL 54 2HG2 VAL 54 -0.868 -3.814 -5.500 831 3HG2 VAL 54 3HG2 VAL 54 -1.949 -4.385 -6.771 832 H THR 55 H THR 55 -2.428 -1.602 -10.285 833 HA THR 55 HA THR 55 -1.049 0.983 -10.267 834 HB THR 55 HB THR 55 -2.595 -0.227 -12.553 835 HG1 THR 55 1HG THR 55 0.203 -0.321 -12.103 836 1HG2 THR 55 1HG2 THR 55 -1.053 1.210 -13.894 837 2HG2 THR 55 2HG2 THR 55 -0.556 1.974 -12.383 838 3HG2 THR 55 3HG2 THR 55 -2.232 2.092 -12.922 839 H GLU 56 H GLU 56 -2.084 2.649 -9.469 840 HA GLU 56 HA GLU 56 -4.749 2.790 -8.761 841 1HB GLU 56 2HB GLU 56 -3.122 4.355 -7.900 842 2HB GLU 56 1HB GLU 56 -2.835 5.007 -9.506 843 1HG GLU 56 2HG GLU 56 -4.204 6.500 -8.160 844 2HG GLU 56 1HG GLU 56 -5.085 5.911 -9.568 Start of MODEL 22 1 1H MET 1 1HT MET 1 5.402 -18.367 2.804 2 2H MET 1 2HT MET 1 5.775 -19.772 1.937 3 3H MET 1 3HT MET 1 4.639 -18.678 1.326 4 HA MET 1 HA MET 1 7.561 -18.302 1.589 5 1HB MET 1 2HB MET 1 6.722 -19.549 -0.373 6 2HB MET 1 1HB MET 1 5.666 -18.203 -0.774 7 1HG MET 1 2HG MET 1 7.589 -16.779 -1.164 8 2HG MET 1 1HG MET 1 8.672 -18.090 -0.701 9 1HE MET 1 1HE MET 1 8.904 -16.449 -3.448 10 2HE MET 1 2HE MET 1 9.249 -17.765 -4.569 11 3HE MET 1 3HE MET 1 10.008 -17.742 -2.977 12 H GLN 2 H GLN 2 8.293 -16.212 0.620 13 HA GLN 2 HA GLN 2 6.538 -14.040 1.528 14 1HB GLN 2 2HB GLN 2 8.734 -14.151 2.618 15 2HB GLN 2 1HB GLN 2 9.527 -14.061 1.052 16 1HG GLN 2 2HG GLN 2 8.606 -11.830 0.707 17 2HG GLN 2 1HG GLN 2 7.796 -11.919 2.267 18 1HE2 GLN 2 1HE2 GLN 2 10.662 -13.484 2.677 19 2HE2 GLN 2 2HE2 GLN 2 11.626 -12.171 3.246 20 H TYR 3 H TYR 3 5.919 -12.419 0.158 21 HA TYR 3 HA TYR 3 6.894 -12.603 -2.616 22 1HB TYR 3 2HB TYR 3 4.070 -12.047 -1.690 23 2HB TYR 3 1HB TYR 3 4.620 -11.947 -3.361 24 HD1 TYR 3 1HD TYR 3 4.344 -13.799 -4.719 25 HD2 TYR 3 2HD TYR 3 4.568 -14.363 -0.508 26 HE1 TYR 3 1HE TYR 3 3.888 -16.195 -5.022 27 HE2 TYR 3 2HE TYR 3 4.115 -16.762 -0.798 28 HH TYR 3 HH TYR 3 4.337 -18.332 -3.730 29 H LYS 4 H LYS 4 7.148 -10.703 -3.762 30 HA LYS 4 HA LYS 4 7.370 -8.307 -2.090 31 1HB LYS 4 2HB LYS 4 9.287 -9.256 -3.520 32 2HB LYS 4 1HB LYS 4 8.399 -8.638 -4.904 33 1HG LYS 4 2HG LYS 4 9.427 -6.999 -2.597 34 2HG LYS 4 1HG LYS 4 10.159 -7.112 -4.197 35 1HD LYS 4 2HD LYS 4 8.040 -6.203 -5.150 36 2HD LYS 4 1HD LYS 4 7.464 -5.953 -3.499 37 1HE LYS 4 2HE LYS 4 8.384 -3.891 -4.357 38 2HE LYS 4 1HE LYS 4 9.410 -4.512 -3.064 39 1HZ LYS 4 1HZ LYS 4 9.938 -4.844 -5.968 40 2HZ LYS 4 2HZ LYS 4 10.936 -5.366 -4.708 41 3HZ LYS 4 3HZ LYS 4 10.696 -3.713 -4.964 42 H VAL 5 H VAL 5 5.548 -7.123 -2.087 43 HA VAL 5 HA VAL 5 3.948 -6.966 -4.528 44 HB VAL 5 HB VAL 5 3.320 -5.969 -1.745 45 1HG1 VAL 5 1HG1 VAL 5 2.153 -4.694 -3.466 46 2HG1 VAL 5 2HG1 VAL 5 1.031 -5.720 -2.573 47 3HG1 VAL 5 3HG1 VAL 5 1.562 -6.191 -4.187 48 1HG2 VAL 5 1HG2 VAL 5 1.558 -7.956 -2.217 49 2HG2 VAL 5 2HG2 VAL 5 3.089 -8.178 -1.370 50 3HG2 VAL 5 3HG2 VAL 5 2.966 -8.564 -3.086 51 H ILE 6 H ILE 6 4.064 -5.289 -5.838 52 HA ILE 6 HA ILE 6 5.364 -2.829 -4.900 53 HB ILE 6 HB ILE 6 4.982 -3.928 -7.691 54 1HG1 ILE 6 2HG1 ILE 6 7.472 -3.509 -6.028 55 2HG1 ILE 6 1HG1 ILE 6 6.708 -5.060 -6.354 56 1HG2 ILE 6 1HG2 ILE 6 5.161 -1.263 -7.030 57 2HG2 ILE 6 2HG2 ILE 6 5.541 -1.981 -8.596 58 3HG2 ILE 6 3HG2 ILE 6 6.825 -1.702 -7.420 59 1HD1 ILE 6 1HD1 ILE 6 7.128 -4.661 -8.781 60 2HD1 ILE 6 2HD1 ILE 6 8.582 -4.836 -7.798 61 3HD1 ILE 6 3HD1 ILE 6 8.060 -3.237 -8.321 62 H LEU 7 H LEU 7 4.150 -1.043 -4.649 63 HA LEU 7 HA LEU 7 1.434 -1.042 -5.788 64 1HB LEU 7 2HB LEU 7 2.357 0.742 -3.555 65 2HB LEU 7 1HB LEU 7 0.726 0.225 -3.947 66 HG LEU 7 HG LEU 7 2.884 -1.523 -2.777 67 1HD1 LEU 7 1HD1 LEU 7 1.450 -1.519 -0.783 68 2HD1 LEU 7 2HD1 LEU 7 0.389 -0.345 -1.562 69 3HD1 LEU 7 3HD1 LEU 7 2.053 0.091 -1.174 70 1HD2 LEU 7 1HD2 LEU 7 1.418 -2.790 -4.234 71 2HD2 LEU 7 2HD2 LEU 7 0.001 -2.110 -3.436 72 3HD2 LEU 7 3HD2 LEU 7 1.085 -3.180 -2.547 73 H ASN 8 H ASN 8 1.531 0.005 -7.713 74 HA ASN 8 HA ASN 8 2.986 2.559 -7.838 75 1HB ASN 8 2HB ASN 8 2.135 0.702 -10.058 76 2HB ASN 8 1HB ASN 8 2.910 2.263 -10.306 77 1HD2 ASN 8 1HD2 ASN 8 4.981 2.126 -10.705 78 2HD2 ASN 8 2HD2 ASN 8 6.063 0.928 -10.089 79 H GLY 9 H GLY 9 1.654 4.242 -7.454 80 1HA GLY 9 2HA GLY 9 -1.025 4.144 -8.687 81 2HA GLY 9 1HA GLY 9 -0.638 5.054 -7.238 82 H LYS 10 H LYS 10 -1.781 6.712 -8.609 83 HA LYS 10 HA LYS 10 -0.421 7.822 -10.855 84 1HB LYS 10 2HB LYS 10 -2.555 8.997 -9.062 85 2HB LYS 10 1HB LYS 10 -2.006 9.715 -10.569 86 1HG LYS 10 2HG LYS 10 -3.308 7.014 -10.304 87 2HG LYS 10 1HG LYS 10 -4.113 8.494 -10.824 88 1HD LYS 10 2HD LYS 10 -2.559 8.646 -12.726 89 2HD LYS 10 1HD LYS 10 -1.803 7.137 -12.212 90 1HE LYS 10 2HE LYS 10 -3.915 5.961 -12.527 91 2HE LYS 10 1HE LYS 10 -4.694 7.468 -13.006 92 1HZ LYS 10 1HZ LYS 10 -3.675 5.748 -14.740 93 2HZ LYS 10 2HZ LYS 10 -2.313 6.718 -14.497 94 3HZ LYS 10 3HZ LYS 10 -3.757 7.411 -15.040 95 H THR 11 H THR 11 -0.873 9.001 -7.515 96 HA THR 11 HA THR 11 1.518 10.670 -7.852 97 HB THR 11 HB THR 11 0.399 11.867 -5.824 98 HG1 THR 11 1HG THR 11 -1.879 11.666 -5.898 99 1HG2 THR 11 1HG2 THR 11 -0.087 13.462 -7.274 100 2HG2 THR 11 2HG2 THR 11 -1.401 12.502 -7.956 101 3HG2 THR 11 3HG2 THR 11 0.241 12.314 -8.572 102 H LEU 12 H LEU 12 0.931 7.776 -6.772 103 HA LEU 12 HA LEU 12 2.700 8.083 -4.465 104 1HB LEU 12 2HB LEU 12 0.464 7.961 -3.553 105 2HB LEU 12 1HB LEU 12 0.125 6.517 -4.485 106 HG LEU 12 HG LEU 12 1.688 5.240 -3.167 107 1HD1 LEU 12 1HD1 LEU 12 2.635 7.883 -2.463 108 2HD1 LEU 12 2HD1 LEU 12 3.460 6.334 -2.381 109 3HD1 LEU 12 3HD1 LEU 12 2.422 6.853 -1.052 110 1HD2 LEU 12 1HD2 LEU 12 0.084 4.913 -1.672 111 2HD2 LEU 12 2HD2 LEU 12 -0.666 6.427 -2.174 112 3HD2 LEU 12 3HD2 LEU 12 0.500 6.418 -0.850 113 H LYS 13 H LYS 13 4.177 6.495 -4.205 114 HA LYS 13 HA LYS 13 3.968 4.045 -5.783 115 1HB LYS 13 2HB LYS 13 6.375 5.870 -5.957 116 2HB LYS 13 1HB LYS 13 6.188 4.315 -6.756 117 1HG LYS 13 2HG LYS 13 4.351 5.206 -8.087 118 2HG LYS 13 1HG LYS 13 4.517 6.765 -7.276 119 1HD LYS 13 2HD LYS 13 6.811 6.953 -8.146 120 2HD LYS 13 1HD LYS 13 6.607 5.413 -8.985 121 1HE LYS 13 2HE LYS 13 4.986 7.916 -9.446 122 2HE LYS 13 1HE LYS 13 6.264 7.304 -10.496 123 1HZ LYS 13 1HZ LYS 13 3.743 5.865 -9.864 124 2HZ LYS 13 2HZ LYS 13 4.952 5.341 -10.925 125 3HZ LYS 13 3HZ LYS 13 4.043 6.720 -11.293 126 H GLY 14 H GLY 14 5.156 2.306 -4.914 127 1HA GLY 14 2HA GLY 14 7.125 2.628 -2.903 128 2HA GLY 14 1HA GLY 14 5.566 2.326 -2.158 129 H GLU 15 H GLU 15 6.983 0.503 -1.367 130 HA GLU 15 HA GLU 15 6.417 -1.843 -3.014 131 1HB GLU 15 2HB GLU 15 9.118 -1.281 -1.769 132 2HB GLU 15 1HB GLU 15 8.656 -2.774 -2.571 133 1HG GLU 15 2HG GLU 15 8.378 -1.583 -4.672 134 2HG GLU 15 1HG GLU 15 8.788 -0.065 -3.875 135 H THR 16 H THR 16 5.794 -3.596 -1.859 136 HA THR 16 HA THR 16 6.150 -3.570 1.040 137 HB THR 16 HB THR 16 4.012 -2.683 1.016 138 HG1 THR 16 1HG THR 16 3.458 -5.433 0.819 139 1HG2 THR 16 1HG2 THR 16 3.671 -4.110 -1.540 140 2HG2 THR 16 2HG2 THR 16 3.161 -2.494 -1.062 141 3HG2 THR 16 3HG2 THR 16 2.237 -3.902 -0.541 142 H THR 17 H THR 17 5.426 -5.718 2.020 143 HA THR 17 HA THR 17 5.737 -7.955 0.160 144 HB THR 17 HB THR 17 7.449 -8.973 1.659 145 HG1 THR 17 1HG THR 17 8.508 -7.550 3.105 146 1HG2 THR 17 1HG2 THR 17 9.253 -7.973 0.678 147 2HG2 THR 17 2HG2 THR 17 8.581 -6.350 0.841 148 3HG2 THR 17 3HG2 THR 17 7.959 -7.441 -0.397 149 H THR 18 H THR 18 4.202 -9.377 0.544 150 HA THR 18 HA THR 18 3.069 -9.619 3.259 151 HB THR 18 HB THR 18 1.493 -9.064 1.416 152 HG1 THR 18 1HG THR 18 0.864 -10.352 3.253 153 1HG2 THR 18 1HG2 THR 18 2.303 -11.746 0.330 154 2HG2 THR 18 2HG2 THR 18 2.430 -10.179 -0.471 155 3HG2 THR 18 3HG2 THR 18 0.844 -10.877 -0.146 156 H GLU 19 H GLU 19 3.116 -11.551 4.320 157 HA GLU 19 HA GLU 19 4.743 -13.673 3.098 158 1HB GLU 19 2HB GLU 19 5.523 -12.814 5.258 159 2HB GLU 19 1HB GLU 19 3.973 -13.207 5.988 160 1HG GLU 19 2HG GLU 19 5.635 -14.863 6.565 161 2HG GLU 19 1HG GLU 19 4.371 -15.577 5.565 162 H ALA 20 H ALA 20 3.548 -15.192 2.083 163 HA ALA 20 HA ALA 20 1.334 -16.388 3.555 164 1HB ALA 20 1HB ALA 20 0.797 -15.836 0.694 165 2HB ALA 20 2HB ALA 20 0.674 -14.489 1.826 166 3HB ALA 20 3HB ALA 20 -0.313 -15.932 2.060 167 H VAL 21 H VAL 21 0.824 -18.472 2.953 168 HA VAL 21 HA VAL 21 2.860 -20.187 2.279 169 HB VAL 21 HB VAL 21 -0.047 -20.748 1.704 170 1HG1 VAL 21 1HG1 VAL 21 0.484 -23.034 2.005 171 2HG1 VAL 21 2HG1 VAL 21 2.094 -22.653 2.617 172 3HG1 VAL 21 3HG1 VAL 21 1.708 -22.376 0.918 173 1HG2 VAL 21 1HG2 VAL 21 1.453 -20.608 4.286 174 2HG2 VAL 21 2HG2 VAL 21 0.101 -21.726 4.101 175 3HG2 VAL 21 3HG2 VAL 21 -0.152 -19.994 3.887 176 H ASP 22 H ASP 22 0.540 -18.663 0.116 177 HA ASP 22 HA ASP 22 2.251 -19.356 -2.138 178 1HB ASP 22 2HB ASP 22 0.255 -20.053 -3.504 179 2HB ASP 22 1HB ASP 22 0.717 -21.181 -2.234 180 H ALA 23 H ALA 23 1.440 -18.258 -4.197 181 HA ALA 23 HA ALA 23 1.398 -15.512 -3.817 182 1HB ALA 23 1HB ALA 23 1.719 -17.135 -5.962 183 2HB ALA 23 2HB ALA 23 1.537 -15.385 -6.056 184 3HB ALA 23 3HB ALA 23 0.139 -16.430 -6.304 185 H ALA 24 H ALA 24 -1.296 -17.734 -4.356 186 HA ALA 24 HA ALA 24 -3.303 -15.769 -4.588 187 1HB ALA 24 1HB ALA 24 -3.222 -18.681 -4.146 188 2HB ALA 24 2HB ALA 24 -4.216 -17.726 -5.245 189 3HB ALA 24 3HB ALA 24 -4.665 -17.863 -3.544 190 H THR 25 H THR 25 -2.328 -17.735 -1.754 191 HA THR 25 HA THR 25 -3.990 -16.525 0.110 192 HB THR 25 HB THR 25 -2.213 -17.176 1.777 193 HG1 THR 25 1HG THR 25 -0.318 -17.697 1.136 194 1HG2 THR 25 1HG2 THR 25 -3.164 -19.205 -0.201 195 2HG2 THR 25 2HG2 THR 25 -3.809 -18.843 1.399 196 3HG2 THR 25 3HG2 THR 25 -2.243 -19.637 1.240 197 H ALA 26 H ALA 26 -0.767 -15.620 -1.030 198 HA ALA 26 HA ALA 26 -0.396 -13.371 0.614 199 1HB ALA 26 1HB ALA 26 0.791 -14.411 -1.873 200 2HB ALA 26 2HB ALA 26 1.570 -13.768 -0.427 201 3HB ALA 26 3HB ALA 26 0.926 -12.668 -1.646 202 H GLU 27 H GLU 27 -1.633 -13.619 -2.737 203 HA GLU 27 HA GLU 27 -2.296 -10.995 -3.177 204 1HB GLU 27 2HB GLU 27 -2.450 -12.742 -4.887 205 2HB GLU 27 1HB GLU 27 -3.831 -13.440 -4.054 206 1HG GLU 27 2HG GLU 27 -5.105 -11.403 -4.459 207 2HG GLU 27 1HG GLU 27 -3.722 -10.708 -5.301 208 H LYS 28 H LYS 28 -4.320 -13.523 -1.689 209 HA LYS 28 HA LYS 28 -6.573 -11.927 -1.205 210 1HB LYS 28 2HB LYS 28 -5.534 -14.297 0.365 211 2HB LYS 28 1HB LYS 28 -7.145 -13.612 0.524 212 1HG LYS 28 2HG LYS 28 -5.991 -14.909 -1.935 213 2HG LYS 28 1HG LYS 28 -7.206 -15.595 -0.852 214 1HD LYS 28 2HD LYS 28 -8.737 -13.770 -1.424 215 2HD LYS 28 1HD LYS 28 -7.524 -13.099 -2.516 216 1HE LYS 28 2HE LYS 28 -9.209 -14.395 -3.729 217 2HE LYS 28 1HE LYS 28 -7.606 -15.114 -3.875 218 1HZ LYS 28 1HZ LYS 28 -9.549 -16.023 -1.839 219 2HZ LYS 28 2HZ LYS 28 -8.169 -16.822 -2.400 220 3HZ LYS 28 3HZ LYS 28 -9.522 -16.671 -3.401 221 H VAL 29 H VAL 29 -3.721 -12.629 0.757 222 HA VAL 29 HA VAL 29 -4.421 -11.240 3.061 223 HB VAL 29 HB VAL 29 -1.717 -11.750 1.816 224 1HG1 VAL 29 1HG1 VAL 29 -2.434 -10.289 4.309 225 2HG1 VAL 29 2HG1 VAL 29 -1.152 -9.969 3.142 226 3HG1 VAL 29 3HG1 VAL 29 -0.986 -11.297 4.290 227 1HG2 VAL 29 1HG2 VAL 29 -3.315 -13.585 2.802 228 2HG2 VAL 29 2HG2 VAL 29 -2.689 -12.995 4.341 229 3HG2 VAL 29 3HG2 VAL 29 -1.581 -13.628 3.125 230 H VAL 30 H VAL 30 -2.839 -10.109 0.109 231 HA VAL 30 HA VAL 30 -2.413 -7.461 1.025 232 HB VAL 30 HB VAL 30 -2.833 -8.317 -1.838 233 1HG1 VAL 30 1HG1 VAL 30 -0.983 -6.164 -0.902 234 2HG1 VAL 30 2HG1 VAL 30 -2.706 -5.834 -1.062 235 3HG1 VAL 30 3HG1 VAL 30 -1.773 -6.353 -2.465 236 1HG2 VAL 30 1HG2 VAL 30 -0.067 -8.082 -1.032 237 2HG2 VAL 30 2HG2 VAL 30 -0.889 -9.401 -1.865 238 3HG2 VAL 30 3HG2 VAL 30 -0.907 -9.323 -0.102 239 H LYS 31 H LYS 31 -4.979 -8.982 -0.958 240 HA LYS 31 HA LYS 31 -6.591 -6.826 -1.462 241 1HB LYS 31 2HB LYS 31 -7.473 -9.603 -0.651 242 2HB LYS 31 1HB LYS 31 -8.537 -8.388 -1.335 243 1HG LYS 31 2HG LYS 31 -6.340 -9.922 -2.651 244 2HG LYS 31 1HG LYS 31 -8.023 -9.730 -3.142 245 1HD LYS 31 2HD LYS 31 -7.326 -7.200 -3.330 246 2HD LYS 31 1HD LYS 31 -5.713 -7.897 -3.483 247 1HE LYS 31 2HE LYS 31 -8.079 -8.623 -5.203 248 2HE LYS 31 1HE LYS 31 -6.791 -7.512 -5.669 249 1HZ LYS 31 1HZ LYS 31 -6.247 -9.579 -6.602 250 2HZ LYS 31 2HZ LYS 31 -6.593 -10.423 -5.179 251 3HZ LYS 31 3HZ LYS 31 -5.231 -9.421 -5.259 252 H GLN 32 H GLN 32 -6.548 -8.831 1.443 253 HA GLN 32 HA GLN 32 -8.535 -7.367 2.828 254 1HB GLN 32 2HB GLN 32 -8.153 -9.507 3.674 255 2HB GLN 32 1HB GLN 32 -6.412 -9.322 3.661 256 1HG GLN 32 2HG GLN 32 -8.157 -7.726 5.503 257 2HG GLN 32 1HG GLN 32 -7.627 -9.354 5.910 258 1HE2 GLN 32 1HE2 GLN 32 -5.116 -8.226 4.168 259 2HE2 GLN 32 2HE2 GLN 32 -4.175 -7.517 5.423 260 H PHE 33 H PHE 33 -5.072 -7.027 2.523 261 HA PHE 33 HA PHE 33 -4.546 -5.193 4.540 262 1HB PHE 33 2HB PHE 33 -2.860 -6.368 3.100 263 2HB PHE 33 1HB PHE 33 -3.274 -5.266 1.792 264 HD1 PHE 33 1HD PHE 33 -1.855 -5.459 5.188 265 HD2 PHE 33 2HD PHE 33 -2.293 -3.119 1.648 266 HE1 PHE 33 1HE PHE 33 -0.181 -3.862 6.024 267 HE2 PHE 33 2HE PHE 33 -0.620 -1.527 2.495 268 HZ PHE 33 HZ PHE 33 0.434 -1.902 4.692 269 H PHE 34 H PHE 34 -5.223 -4.506 1.127 270 HA PHE 34 HA PHE 34 -5.589 -1.693 1.595 271 1HB PHE 34 2HB PHE 34 -6.163 -3.361 -0.853 272 2HB PHE 34 1HB PHE 34 -6.212 -1.598 -0.791 273 HD1 PHE 34 1HD PHE 34 -3.921 -0.883 0.776 274 HD2 PHE 34 2HD PHE 34 -4.333 -3.965 -2.115 275 HE1 PHE 34 1HE PHE 34 -1.500 -0.816 0.366 276 HE2 PHE 34 2HE PHE 34 -1.913 -3.901 -2.542 277 HZ PHE 34 HZ PHE 34 -0.498 -2.323 -1.291 278 H ASN 35 H ASN 35 -7.741 -4.429 1.039 279 HA ASN 35 HA ASN 35 -10.179 -3.167 0.748 280 1HB ASN 35 2HB ASN 35 -9.901 -5.599 0.634 281 2HB ASN 35 1HB ASN 35 -9.531 -5.655 2.353 282 1HD2 ASN 35 1HD2 ASN 35 -11.779 -6.468 0.313 283 2HD2 ASN 35 2HD2 ASN 35 -13.213 -6.187 1.235 284 H ASP 36 H ASP 36 -8.289 -3.758 3.613 285 HA ASP 36 HA ASP 36 -10.269 -2.484 5.339 286 1HB ASP 36 2HB ASP 36 -7.691 -3.900 6.010 287 2HB ASP 36 1HB ASP 36 -8.796 -3.213 7.198 288 H ASN 37 H ASN 37 -7.206 -1.713 3.847 289 HA ASN 37 HA ASN 37 -6.604 0.436 5.679 290 1HB ASN 37 2HB ASN 37 -5.473 -0.284 2.966 291 2HB ASN 37 1HB ASN 37 -4.947 1.124 3.879 292 1HD2 ASN 37 1HD2 ASN 37 -3.636 -1.456 3.001 293 2HD2 ASN 37 2HD2 ASN 37 -2.911 -2.065 4.447 294 H GLY 38 H GLY 38 -7.948 0.072 2.476 295 1HA GLY 38 2HA GLY 38 -8.426 2.068 1.094 296 2HA GLY 38 1HA GLY 38 -9.865 1.383 1.813 297 H VAL 39 H VAL 39 -11.191 2.815 2.573 298 HA VAL 39 HA VAL 39 -10.345 5.517 2.972 299 HB VAL 39 HB VAL 39 -13.073 4.290 3.188 300 1HG1 VAL 39 1HG1 VAL 39 -13.778 6.724 2.831 301 2HG1 VAL 39 2HG1 VAL 39 -12.141 7.141 3.339 302 3HG1 VAL 39 3HG1 VAL 39 -13.212 6.272 4.438 303 1HG2 VAL 39 1HG2 VAL 39 -12.955 5.962 0.981 304 2HG2 VAL 39 2HG2 VAL 39 -12.928 4.199 0.969 305 3HG2 VAL 39 3HG2 VAL 39 -11.415 5.104 0.960 306 H ASP 40 H ASP 40 -12.113 3.276 5.193 307 HA ASP 40 HA ASP 40 -11.689 5.186 7.316 308 1HB ASP 40 2HB ASP 40 -13.125 2.533 7.276 309 2HB ASP 40 1HB ASP 40 -13.074 3.625 8.656 310 H GLY 41 H GLY 41 -9.322 3.665 6.266 311 1HA GLY 41 2HA GLY 41 -8.596 1.742 8.238 312 2HA GLY 41 1HA GLY 41 -7.497 2.539 7.121 313 H GLU 42 H GLU 42 -6.940 1.946 9.874 314 HA GLU 42 HA GLU 42 -7.119 4.481 11.293 315 1HB GLU 42 2HB GLU 42 -5.786 1.877 12.070 316 2HB GLU 42 1HB GLU 42 -5.967 3.278 13.117 317 1HG GLU 42 2HG GLU 42 -8.397 3.053 12.999 318 2HG GLU 42 1HG GLU 42 -8.212 1.644 11.955 319 H TRP 43 H TRP 43 -5.803 5.969 10.321 320 HA TRP 43 HA TRP 43 -3.032 5.195 9.750 321 1HB TRP 43 2HB TRP 43 -4.551 7.658 8.896 322 2HB TRP 43 1HB TRP 43 -2.933 7.208 8.377 323 HD1 TRP 43 HD TRP 43 -5.785 4.634 8.463 324 HE1 TRP 43 1HE TRP 43 -6.308 3.923 6.046 325 HE3 TRP 43 3HE TRP 43 -2.776 7.933 6.021 326 HZ2 TRP 43 2HZ TRP 43 -5.529 4.682 3.441 327 HZ3 TRP 43 3HZ TRP 43 -2.708 7.878 3.574 328 HH2 TRP 43 HH TRP 43 -4.059 6.285 2.302 329 H THR 44 H THR 44 -1.420 5.852 10.999 330 HA THR 44 HA THR 44 -1.862 8.134 12.805 331 HB THR 44 HB THR 44 -0.001 7.183 14.155 332 HG1 THR 44 1HG THR 44 0.912 5.994 12.340 333 1HG2 THR 44 1HG2 THR 44 -1.614 4.790 14.062 334 2HG2 THR 44 2HG2 THR 44 -2.599 6.254 14.078 335 3HG2 THR 44 3HG2 THR 44 -1.413 5.972 15.354 336 H TYR 45 H TYR 45 -0.445 9.864 12.710 337 HA TYR 45 HA TYR 45 1.555 9.733 10.553 338 1HB TYR 45 2HB TYR 45 -0.350 11.297 10.193 339 2HB TYR 45 1HB TYR 45 0.147 12.182 11.631 340 HD1 TYR 45 1HD TYR 45 2.455 10.747 9.118 341 HD2 TYR 45 2HD TYR 45 0.612 14.276 10.617 342 HE1 TYR 45 1HE TYR 45 3.964 12.113 7.740 343 HE2 TYR 45 2HE TYR 45 2.117 15.652 9.245 344 HH TYR 45 HH TYR 45 4.175 15.552 8.099 345 H ASP 46 H ASP 46 3.608 10.505 10.866 346 HA ASP 46 HA ASP 46 4.312 11.316 13.609 347 1HB ASP 46 2HB ASP 46 5.053 9.013 13.176 348 2HB ASP 46 1HB ASP 46 5.927 9.558 11.748 349 H ASP 47 H ASP 47 4.176 13.514 12.934 350 HA ASP 47 HA ASP 47 5.320 14.735 10.769 351 1HB ASP 47 2HB ASP 47 5.266 15.819 13.593 352 2HB ASP 47 1HB ASP 47 5.456 16.776 12.128 353 H ALA 48 H ALA 48 6.929 13.664 13.706 354 HA ALA 48 HA ALA 48 9.347 14.942 13.549 355 1HB ALA 48 1HB ALA 48 8.730 13.500 15.399 356 2HB ALA 48 2HB ALA 48 10.300 13.033 14.750 357 3HB ALA 48 3HB ALA 48 8.868 12.081 14.361 358 H THR 49 H THR 49 8.240 12.254 11.578 359 HA THR 49 HA THR 49 10.738 12.478 10.034 360 HB THR 49 HB THR 49 10.612 10.059 9.568 361 HG1 THR 49 1HG THR 49 8.536 10.059 11.502 362 1HG2 THR 49 1HG2 THR 49 11.245 11.202 12.114 363 2HG2 THR 49 2HG2 THR 49 12.003 9.853 11.268 364 3HG2 THR 49 3HG2 THR 49 10.614 9.568 12.317 365 H LYS 50 H LYS 50 7.752 13.397 9.827 366 HA LYS 50 HA LYS 50 6.166 13.652 8.184 367 1HB LYS 50 2HB LYS 50 8.699 13.438 6.555 368 2HB LYS 50 1HB LYS 50 7.143 13.851 5.850 369 1HG LYS 50 2HG LYS 50 8.513 15.419 8.023 370 2HG LYS 50 1HG LYS 50 8.557 15.811 6.303 371 1HD LYS 50 2HD LYS 50 6.050 15.915 6.363 372 2HD LYS 50 1HD LYS 50 6.153 15.767 8.119 373 1HE LYS 50 2HE LYS 50 7.537 17.804 8.183 374 2HE LYS 50 1HE LYS 50 7.364 17.957 6.434 375 1HZ LYS 50 1HZ LYS 50 4.820 17.809 7.133 376 2HZ LYS 50 2HZ LYS 50 5.660 19.275 7.055 377 3HZ LYS 50 3HZ LYS 50 5.437 18.507 8.546 378 H THR 51 H THR 51 6.610 10.946 9.121 379 HA THR 51 HA THR 51 6.000 9.422 6.685 380 HB THR 51 HB THR 51 7.134 8.476 9.320 381 HG1 THR 51 1HG THR 51 8.577 9.591 7.878 382 1HG2 THR 51 1HG2 THR 51 5.905 6.986 7.155 383 2HG2 THR 51 2HG2 THR 51 6.359 6.471 8.778 384 3HG2 THR 51 3HG2 THR 51 7.562 6.486 7.488 385 H PHE 52 H PHE 52 4.276 8.015 6.638 386 HA PHE 52 HA PHE 52 2.315 8.306 8.825 387 1HB PHE 52 2HB PHE 52 1.711 7.742 5.913 388 2HB PHE 52 1HB PHE 52 0.549 8.081 7.187 389 HD1 PHE 52 1HD PHE 52 -0.371 10.175 7.202 390 HD2 PHE 52 2HD PHE 52 3.567 9.674 5.666 391 HE1 PHE 52 1HE PHE 52 -0.299 12.564 6.610 392 HE2 PHE 52 2HE PHE 52 3.646 12.061 5.081 393 HZ PHE 52 HZ PHE 52 1.713 13.508 5.553 394 H THR 53 H THR 53 1.441 6.447 9.668 395 HA THR 53 HA THR 53 2.289 3.925 8.426 396 HB THR 53 HB THR 53 2.045 3.031 10.859 397 HG1 THR 53 1HG THR 53 2.640 5.750 11.367 398 1HG2 THR 53 1HG2 THR 53 4.340 4.547 9.727 399 2HG2 THR 53 2HG2 THR 53 4.168 2.818 10.044 400 3HG2 THR 53 3HG2 THR 53 4.416 3.941 11.383 401 H VAL 54 H VAL 54 0.790 2.552 7.868 402 HA VAL 54 HA VAL 54 -1.962 2.992 8.820 403 HB VAL 54 HB VAL 54 -1.036 1.574 6.307 404 1HG1 VAL 54 1HG1 VAL 54 -3.827 2.303 7.193 405 2HG1 VAL 54 2HG1 VAL 54 -3.135 0.683 7.253 406 3HG1 VAL 54 3HG1 VAL 54 -3.377 1.480 5.699 407 1HG2 VAL 54 1HG2 VAL 54 -2.219 3.549 5.216 408 2HG2 VAL 54 2HG2 VAL 54 -0.650 3.866 5.958 409 3HG2 VAL 54 3HG2 VAL 54 -2.131 4.331 6.795 410 H THR 55 H THR 55 -2.342 1.676 10.490 411 HA THR 55 HA THR 55 -1.127 -0.972 10.535 412 HB THR 55 HB THR 55 -2.794 0.289 12.704 413 HG1 THR 55 1HG THR 55 -0.775 0.917 13.584 414 1HG2 THR 55 1HG2 THR 55 -1.253 -1.154 14.117 415 2HG2 THR 55 2HG2 THR 55 -0.854 -1.992 12.616 416 3HG2 THR 55 3HG2 THR 55 -2.517 -1.977 13.206 417 H GLU 56 H GLU 56 -2.187 -2.499 9.486 418 HA GLU 56 HA GLU 56 -4.841 -2.551 8.744 419 1HB GLU 56 2HB GLU 56 -3.219 -4.060 7.774 420 2HB GLU 56 1HB GLU 56 -2.963 -4.845 9.328 421 1HG GLU 56 2HG GLU 56 -4.331 -6.201 7.838 422 2HG GLU 56 1HG GLU 56 -5.213 -5.729 9.290 423 1H MET 1 1HT MET 1 5.885 18.283 -2.634 424 2H MET 1 2HT MET 1 6.280 19.678 -1.763 425 3H MET 1 3HT MET 1 5.109 18.613 -1.168 426 HA MET 1 HA MET 1 8.025 18.166 -1.390 427 1HB MET 1 2HB MET 1 7.189 19.431 0.561 428 2HB MET 1 1HB MET 1 6.095 18.112 0.946 429 1HG MET 1 2HG MET 1 7.977 16.642 1.363 430 2HG MET 1 1HG MET 1 9.099 17.926 0.916 431 1HE MET 1 1HE MET 1 9.251 16.281 3.666 432 2HE MET 1 2HE MET 1 9.614 17.589 4.792 433 3HE MET 1 3HE MET 1 10.392 17.547 3.210 434 H GLN 2 H GLN 2 8.692 16.058 -0.411 435 HA GLN 2 HA GLN 2 6.899 13.929 -1.343 436 1HB GLN 2 2HB GLN 2 9.112 13.986 -2.403 437 2HB GLN 2 1HB GLN 2 9.880 13.877 -0.825 438 1HG GLN 2 2HG GLN 2 8.900 11.670 -0.494 439 2HG GLN 2 1HG GLN 2 8.114 11.779 -2.066 440 1HE2 GLN 2 1HE2 GLN 2 11.024 13.273 -2.434 441 2HE2 GLN 2 2HE2 GLN 2 11.963 11.936 -2.990 442 H TYR 3 H TYR 3 6.220 12.325 0.018 443 HA TYR 3 HA TYR 3 7.160 12.485 2.805 444 1HB TYR 3 2HB TYR 3 4.336 11.998 1.838 445 2HB TYR 3 1HB TYR 3 4.861 11.884 3.516 446 HD1 TYR 3 1HD TYR 3 4.611 13.742 4.871 447 HD2 TYR 3 2HD TYR 3 4.908 14.299 0.664 448 HE1 TYR 3 1HE TYR 3 4.209 16.149 5.167 449 HE2 TYR 3 2HE TYR 3 4.509 16.710 0.949 450 HH TYR 3 HH TYR 3 4.728 18.274 3.883 451 H LYS 4 H LYS 4 7.351 10.580 3.954 452 HA LYS 4 HA LYS 4 7.540 8.178 2.285 453 1HB LYS 4 2HB LYS 4 9.458 9.081 3.742 454 2HB LYS 4 1HB LYS 4 8.535 8.484 5.112 455 1HG LYS 4 2HG LYS 4 9.558 6.821 2.821 456 2HG LYS 4 1HG LYS 4 10.268 6.917 4.431 457 1HD LYS 4 2HD LYS 4 8.115 6.059 5.353 458 2HD LYS 4 1HD LYS 4 7.556 5.824 3.695 459 1HE LYS 4 2HE LYS 4 8.414 3.738 4.564 460 2HE LYS 4 1HE LYS 4 9.472 4.335 3.287 461 1HZ LYS 4 1HZ LYS 4 9.967 4.655 6.198 462 2HZ LYS 4 2HZ LYS 4 10.996 5.153 4.952 463 3HZ LYS 4 3HZ LYS 4 10.712 3.505 5.205 464 H VAL 5 H VAL 5 5.689 7.039 2.256 465 HA VAL 5 HA VAL 5 4.051 6.922 4.673 466 HB VAL 5 HB VAL 5 3.440 5.938 1.883 467 1HG1 VAL 5 1HG1 VAL 5 2.217 4.694 3.586 468 2HG1 VAL 5 2HG1 VAL 5 1.131 5.746 2.677 469 3HG1 VAL 5 3HG1 VAL 5 1.653 6.205 4.298 470 1HG2 VAL 5 1HG2 VAL 5 1.719 7.969 2.328 471 2HG2 VAL 5 2HG2 VAL 5 3.268 8.154 1.504 472 3HG2 VAL 5 3HG2 VAL 5 3.128 8.543 3.219 473 H ILE 6 H ILE 6 4.110 5.243 5.985 474 HA ILE 6 HA ILE 6 5.362 2.752 5.065 475 HB ILE 6 HB ILE 6 4.967 3.860 7.850 476 1HG1 ILE 6 2HG1 ILE 6 7.468 3.379 6.223 477 2HG1 ILE 6 1HG1 ILE 6 6.740 4.950 6.537 478 1HG2 ILE 6 1HG2 ILE 6 5.091 1.191 7.191 479 2HG2 ILE 6 2HG2 ILE 6 5.465 1.900 8.763 480 3HG2 ILE 6 3HG2 ILE 6 6.759 1.589 7.604 481 1HD1 ILE 6 1HD1 ILE 6 7.114 4.541 8.971 482 2HD1 ILE 6 2HD1 ILE 6 8.586 4.681 8.009 483 3HD1 ILE 6 3HD1 ILE 6 8.018 3.094 8.526 484 H LEU 7 H LEU 7 4.110 0.997 4.796 485 HA LEU 7 HA LEU 7 1.378 1.062 5.897 486 1HB LEU 7 2HB LEU 7 2.288 -0.747 3.677 487 2HB LEU 7 1HB LEU 7 0.666 -0.190 4.047 488 HG LEU 7 HG LEU 7 2.881 1.506 2.906 489 1HD1 LEU 7 1HD1 LEU 7 1.474 1.537 0.893 490 2HD1 LEU 7 2HD1 LEU 7 0.375 0.387 1.658 491 3HD1 LEU 7 3HD1 LEU 7 2.033 -0.087 1.293 492 1HD2 LEU 7 1HD2 LEU 7 1.426 2.808 4.343 493 2HD2 LEU 7 2HD2 LEU 7 0.003 2.162 3.526 494 3HD2 LEU 7 3HD2 LEU 7 1.126 3.206 2.652 495 H ASN 8 H ASN 8 1.422 0.012 7.823 496 HA ASN 8 HA ASN 8 2.813 -2.577 7.968 497 1HB ASN 8 2HB ASN 8 1.976 -0.698 10.177 498 2HB ASN 8 1HB ASN 8 2.708 -2.279 10.436 499 1HD2 ASN 8 1HD2 ASN 8 4.777 -2.192 10.864 500 2HD2 ASN 8 2HD2 ASN 8 5.896 -1.020 10.264 501 H GLY 9 H GLY 9 1.445 -4.227 7.565 502 1HA GLY 9 2HA GLY 9 -1.247 -4.062 8.760 503 2HA GLY 9 1HA GLY 9 -0.864 -4.983 7.317 504 H LYS 10 H LYS 10 -2.064 -6.613 8.672 505 HA LYS 10 HA LYS 10 -0.764 -7.755 10.936 506 1HB LYS 10 2HB LYS 10 -2.899 -8.879 9.113 507 2HB LYS 10 1HB LYS 10 -2.390 -9.608 10.629 508 1HG LYS 10 2HG LYS 10 -3.622 -6.876 10.344 509 2HG LYS 10 1HG LYS 10 -4.470 -8.337 10.854 510 1HD LYS 10 2HD LYS 10 -2.948 -8.526 12.777 511 2HD LYS 10 1HD LYS 10 -2.149 -7.037 12.274 512 1HE LYS 10 2HE LYS 10 -4.236 -5.809 12.559 513 2HE LYS 10 1HE LYS 10 -5.057 -7.297 13.026 514 1HZ LYS 10 1HZ LYS 10 -4.021 -5.600 14.775 515 2HZ LYS 10 2HZ LYS 10 -2.679 -6.604 14.552 516 3HZ LYS 10 3HZ LYS 10 -4.148 -7.261 15.074 517 H THR 11 H THR 11 -1.199 -8.924 7.591 518 HA THR 11 HA THR 11 1.147 -10.649 7.961 519 HB THR 11 HB THR 11 0.028 -11.820 5.917 520 HG1 THR 11 1HG THR 11 -2.245 -11.564 5.959 521 1HG2 THR 11 1HG2 THR 11 -0.518 -13.402 7.359 522 2HG2 THR 11 2HG2 THR 11 -1.817 -12.411 8.023 523 3HG2 THR 11 3HG2 THR 11 -0.179 -12.262 8.662 524 H LEU 12 H LEU 12 0.646 -7.743 6.872 525 HA LEU 12 HA LEU 12 2.439 -8.092 4.591 526 1HB LEU 12 2HB LEU 12 0.220 -7.917 3.647 527 2HB LEU 12 1HB LEU 12 -0.095 -6.465 4.575 528 HG LEU 12 HG LEU 12 1.516 -5.226 3.280 529 1HD1 LEU 12 1HD1 LEU 12 2.407 -7.891 2.589 530 2HD1 LEU 12 2HD1 LEU 12 3.273 -6.364 2.519 531 3HD1 LEU 12 3HD1 LEU 12 2.240 -6.855 1.174 532 1HD2 LEU 12 1HD2 LEU 12 -0.059 -4.861 1.761 533 2HD2 LEU 12 2HD2 LEU 12 -0.852 -6.357 2.253 534 3HD2 LEU 12 3HD2 LEU 12 0.331 -6.375 0.945 535 H LYS 13 H LYS 13 3.959 -6.541 4.352 536 HA LYS 13 HA LYS 13 3.786 -4.087 5.927 537 1HB LYS 13 2HB LYS 13 6.146 -5.969 6.136 538 2HB LYS 13 1HB LYS 13 5.986 -4.409 6.931 539 1HG LYS 13 2HG LYS 13 4.109 -5.257 8.237 540 2HG LYS 13 1HG LYS 13 4.249 -6.818 7.427 541 1HD LYS 13 2HD LYS 13 6.524 -7.062 8.328 542 2HD LYS 13 1HD LYS 13 6.346 -5.519 9.166 543 1HE LYS 13 2HE LYS 13 4.660 -7.981 9.604 544 2HE LYS 13 1HE LYS 13 5.937 -7.399 10.672 545 1HZ LYS 13 1HZ LYS 13 3.460 -5.901 10.004 546 2HZ LYS 13 2HZ LYS 13 4.666 -5.405 11.082 547 3HZ LYS 13 3HZ LYS 13 3.719 -6.761 11.438 548 H GLY 14 H GLY 14 5.029 -2.377 5.075 549 1HA GLY 14 2HA GLY 14 7.018 -2.747 3.093 550 2HA GLY 14 1HA GLY 14 5.476 -2.408 2.325 551 H GLU 15 H GLU 15 6.947 -0.620 1.554 552 HA GLU 15 HA GLU 15 6.417 1.740 3.194 553 1HB GLU 15 2HB GLU 15 9.120 1.112 1.987 554 2HB GLU 15 1HB GLU 15 8.684 2.616 2.783 555 1HG GLU 15 2HG GLU 15 8.348 1.433 4.879 556 2HG GLU 15 1HG GLU 15 8.731 -0.095 4.087 557 H THR 16 H THR 16 5.853 3.508 2.031 558 HA THR 16 HA THR 16 6.250 3.471 -0.863 559 HB THR 16 HB THR 16 4.091 2.638 -0.869 560 HG1 THR 16 1HG THR 16 3.601 5.400 -0.680 561 1HG2 THR 16 1HG2 THR 16 3.748 4.071 1.683 562 2HG2 THR 16 2HG2 THR 16 3.205 2.470 1.195 563 3HG2 THR 16 3HG2 THR 16 2.323 3.900 0.662 564 H THR 17 H THR 17 5.592 5.637 -1.852 565 HA THR 17 HA THR 17 5.931 7.866 0.011 566 HB THR 17 HB THR 17 7.689 8.841 -1.462 567 HG1 THR 17 1HG THR 17 8.731 7.392 -2.893 568 1HG2 THR 17 1HG2 THR 17 9.452 7.798 -0.457 569 2HG2 THR 17 2HG2 THR 17 8.744 6.193 -0.629 570 3HG2 THR 17 3HG2 THR 17 8.131 7.298 0.600 571 H THR 18 H THR 18 4.435 9.325 -0.393 572 HA THR 18 HA THR 18 3.348 9.593 -3.124 573 HB THR 18 HB THR 18 1.733 9.078 -1.304 574 HG1 THR 18 1HG THR 18 1.161 10.379 -3.150 575 1HG2 THR 18 1HG2 THR 18 2.593 11.738 -0.205 576 2HG2 THR 18 2HG2 THR 18 2.670 10.169 0.595 577 3HG2 THR 18 3HG2 THR 18 1.105 10.905 0.250 578 H GLU 19 H GLU 19 3.457 11.525 -4.184 579 HA GLU 19 HA GLU 19 5.116 13.605 -2.938 580 1HB GLU 19 2HB GLU 19 5.906 12.727 -5.088 581 2HB GLU 19 1HB GLU 19 4.377 13.158 -5.840 582 1HG GLU 19 2HG GLU 19 6.086 14.773 -6.392 583 2HG GLU 19 1HG GLU 19 4.827 15.518 -5.411 584 H ALA 20 H ALA 20 3.944 15.153 -1.941 585 HA ALA 20 HA ALA 20 1.782 16.403 -3.445 586 1HB ALA 20 1HB ALA 20 1.192 15.864 -0.592 587 2HB ALA 20 2HB ALA 20 1.051 14.521 -1.726 588 3HB ALA 20 3HB ALA 20 0.102 15.987 -1.973 589 H VAL 21 H VAL 21 1.315 18.498 -2.850 590 HA VAL 21 HA VAL 21 3.382 20.163 -2.146 591 HB VAL 21 HB VAL 21 0.481 20.795 -1.612 592 1HG1 VAL 21 1HG1 VAL 21 1.073 23.068 -1.905 593 2HG1 VAL 21 2HG1 VAL 21 2.681 22.646 -2.493 594 3HG1 VAL 21 3HG1 VAL 21 2.265 22.381 -0.801 595 1HG2 VAL 21 1HG2 VAL 21 2.013 20.619 -4.173 596 2HG2 VAL 21 2HG2 VAL 21 0.687 21.770 -4.007 597 3HG2 VAL 21 3HG2 VAL 21 0.389 20.042 -3.796 598 H ASP 22 H ASP 22 0.994 18.698 -0.016 599 HA ASP 22 HA ASP 22 2.690 19.348 2.262 600 1HB ASP 22 2HB ASP 22 0.692 20.094 3.600 601 2HB ASP 22 1HB ASP 22 1.200 21.210 2.336 602 H ALA 23 H ALA 23 1.823 18.270 4.309 603 HA ALA 23 HA ALA 23 1.720 15.527 3.928 604 1HB ALA 23 1HB ALA 23 2.051 17.143 6.078 605 2HB ALA 23 2HB ALA 23 1.825 15.396 6.169 606 3HB ALA 23 3HB ALA 23 0.450 16.478 6.398 607 H ALA 24 H ALA 24 -0.926 17.813 4.429 608 HA ALA 24 HA ALA 24 -2.983 15.897 4.632 609 1HB ALA 24 1HB ALA 24 -2.824 18.807 4.191 610 2HB ALA 24 2HB ALA 24 -3.858 17.877 5.277 611 3HB ALA 24 3HB ALA 24 -4.279 18.026 3.570 612 H THR 25 H THR 25 -1.921 17.841 1.813 613 HA THR 25 HA THR 25 -3.584 16.669 -0.074 614 HB THR 25 HB THR 25 -1.769 17.276 -1.717 615 HG1 THR 25 1HG THR 25 0.130 17.750 -1.048 616 1HG2 THR 25 1HG2 THR 25 -2.699 19.329 0.249 617 2HG2 THR 25 2HG2 THR 25 -3.330 18.983 -1.361 618 3HG2 THR 25 3HG2 THR 25 -1.747 19.738 -1.179 619 H ALA 26 H ALA 26 -0.402 15.687 1.110 620 HA ALA 26 HA ALA 26 -0.064 13.429 -0.527 621 1HB ALA 26 1HB ALA 26 1.115 14.440 1.977 622 2HB ALA 26 2HB ALA 26 1.897 13.778 0.541 623 3HB ALA 26 3HB ALA 26 1.209 12.694 1.750 624 H GLU 27 H GLU 27 -1.340 13.708 2.807 625 HA GLU 27 HA GLU 27 -2.074 11.102 3.236 626 1HB GLU 27 2HB GLU 27 -2.209 12.852 4.944 627 2HB GLU 27 1HB GLU 27 -3.560 13.583 4.091 628 1HG GLU 27 2HG GLU 27 -4.889 11.577 4.478 629 2HG GLU 27 1HG GLU 27 -3.536 10.848 5.340 630 H LYS 28 H LYS 28 -4.013 13.677 1.720 631 HA LYS 28 HA LYS 28 -6.297 12.135 1.203 632 1HB LYS 28 2HB LYS 28 -5.180 14.480 -0.352 633 2HB LYS 28 1HB LYS 28 -6.804 13.834 -0.534 634 1HG LYS 28 2HG LYS 28 -5.655 15.103 1.941 635 2HG LYS 28 1HG LYS 28 -6.836 15.817 0.841 636 1HD LYS 28 2HD LYS 28 -8.419 14.031 1.392 637 2HD LYS 28 1HD LYS 28 -7.237 13.330 2.500 638 1HE LYS 28 2HE LYS 28 -8.907 14.667 3.690 639 2HE LYS 28 1HE LYS 28 -7.291 15.348 3.859 640 1HZ LYS 28 1HZ LYS 28 -9.182 16.303 1.795 641 2HZ LYS 28 2HZ LYS 28 -7.790 17.069 2.376 642 3HZ LYS 28 3HZ LYS 28 -9.161 16.952 3.359 643 H VAL 29 H VAL 29 -3.402 12.769 -0.718 644 HA VAL 29 HA VAL 29 -4.103 11.396 -3.033 645 HB VAL 29 HB VAL 29 -1.405 11.841 -1.749 646 1HG1 VAL 29 1HG1 VAL 29 -2.122 10.397 -4.253 647 2HG1 VAL 29 2HG1 VAL 29 -0.865 10.045 -3.067 648 3HG1 VAL 29 3HG1 VAL 29 -0.650 11.369 -4.212 649 1HG2 VAL 29 1HG2 VAL 29 -2.944 13.714 -2.758 650 2HG2 VAL 29 2HG2 VAL 29 -2.311 13.107 -4.287 651 3HG2 VAL 29 3HG2 VAL 29 -1.206 13.715 -3.055 652 H VAL 30 H VAL 30 -2.591 10.227 -0.058 653 HA VAL 30 HA VAL 30 -2.216 7.570 -0.968 654 HB VAL 30 HB VAL 30 -2.656 8.435 1.889 655 1HG1 VAL 30 1HG1 VAL 30 -0.845 6.238 0.978 656 2HG1 VAL 30 2HG1 VAL 30 -2.579 5.951 1.113 657 3HG1 VAL 30 3HG1 VAL 30 -1.653 6.447 2.529 658 1HG2 VAL 30 1HG2 VAL 30 0.114 8.133 1.121 659 2HG2 VAL 30 2HG2 VAL 30 -0.687 9.473 1.943 660 3HG2 VAL 30 3HG2 VAL 30 -0.681 9.395 0.181 661 H LYS 31 H LYS 31 -4.774 9.153 0.979 662 HA LYS 31 HA LYS 31 -6.444 7.037 1.458 663 1HB LYS 31 2HB LYS 31 -7.245 9.835 0.637 664 2HB LYS 31 1HB LYS 31 -8.350 8.646 1.305 665 1HG LYS 31 2HG LYS 31 -6.134 10.126 2.652 666 2HG LYS 31 1HG LYS 31 -7.826 9.976 3.119 667 1HD LYS 31 2HD LYS 31 -7.195 7.430 3.318 668 2HD LYS 31 1HD LYS 31 -5.568 8.088 3.492 669 1HE LYS 31 2HE LYS 31 -7.939 8.871 5.180 670 2HE LYS 31 1HE LYS 31 -6.686 7.729 5.664 671 1HZ LYS 31 1HZ LYS 31 -6.104 9.782 6.606 672 2HZ LYS 31 2HZ LYS 31 -6.410 10.634 5.177 673 3HZ LYS 31 3HZ LYS 31 -5.075 9.599 5.275 674 H GLN 32 H GLN 32 -6.311 9.039 -1.445 675 HA GLN 32 HA GLN 32 -8.313 7.624 -2.859 676 1HB GLN 32 2HB GLN 32 -7.867 9.754 -3.698 677 2HB GLN 32 1HB GLN 32 -6.131 9.526 -3.660 678 1HG GLN 32 2HG GLN 32 -7.887 7.973 -5.528 679 2HG GLN 32 1HG GLN 32 -7.313 9.587 -5.925 680 1HE2 GLN 32 1HE2 GLN 32 -4.855 8.400 -4.149 681 2HE2 GLN 32 2HE2 GLN 32 -3.914 7.666 -5.391 682 H PHE 33 H PHE 33 -4.863 7.201 -2.504 683 HA PHE 33 HA PHE 33 -4.354 5.353 -4.514 684 1HB PHE 33 2HB PHE 33 -2.662 6.487 -3.049 685 2HB PHE 33 1HB PHE 33 -3.120 5.397 -1.747 686 HD1 PHE 33 1HD PHE 33 -1.649 5.553 -5.124 687 HD2 PHE 33 2HD PHE 33 -2.193 3.227 -1.590 688 HE1 PHE 33 1HE PHE 33 -0.002 3.917 -5.936 689 HE2 PHE 33 2HE PHE 33 -0.547 1.593 -2.413 690 HZ PHE 33 HZ PHE 33 0.547 1.943 -4.596 691 H PHE 34 H PHE 34 -5.094 4.684 -1.110 692 HA PHE 34 HA PHE 34 -5.523 1.881 -1.584 693 1HB PHE 34 2HB PHE 34 -6.092 3.562 0.855 694 2HB PHE 34 1HB PHE 34 -6.182 1.801 0.794 695 HD1 PHE 34 1HD PHE 34 -3.887 1.031 -0.741 696 HD2 PHE 34 2HD PHE 34 -4.265 4.122 2.144 697 HE1 PHE 34 1HE PHE 34 -1.474 0.905 -0.299 698 HE2 PHE 34 2HE PHE 34 -1.853 3.999 2.605 699 HZ PHE 34 HZ PHE 34 -0.460 2.387 1.372 700 H ASN 35 H ASN 35 -7.615 4.667 -1.057 701 HA ASN 35 HA ASN 35 -10.087 3.466 -0.800 702 1HB ASN 35 2HB ASN 35 -9.752 5.890 -0.683 703 2HB ASN 35 1HB ASN 35 -9.357 5.937 -2.397 704 1HD2 ASN 35 1HD2 ASN 35 -11.613 6.806 -0.390 705 2HD2 ASN 35 2HD2 ASN 35 -13.040 6.558 -1.330 706 H ASP 36 H ASP 36 -8.144 4.011 -3.639 707 HA ASP 36 HA ASP 36 -10.129 2.785 -5.392 708 1HB ASP 36 2HB ASP 36 -7.508 4.137 -6.029 709 2HB ASP 36 1HB ASP 36 -8.612 3.478 -7.231 710 H ASN 37 H ASN 37 -7.107 1.939 -3.858 711 HA ASN 37 HA ASN 37 -6.532 -0.223 -5.682 712 1HB ASN 37 2HB ASN 37 -5.423 0.470 -2.954 713 2HB ASN 37 1HB ASN 37 -4.916 -0.952 -3.859 714 1HD2 ASN 37 1HD2 ASN 37 -3.557 1.596 -2.962 715 2HD2 ASN 37 2HD2 ASN 37 -2.796 2.187 -4.398 716 H GLY 38 H GLY 38 -7.911 0.172 -2.500 717 1HA GLY 38 2HA GLY 38 -8.459 -1.811 -1.123 718 2HA GLY 38 1HA GLY 38 -9.868 -1.091 -1.864 719 H VAL 39 H VAL 39 -11.220 -2.490 -2.644 720 HA VAL 39 HA VAL 39 -10.433 -5.212 -3.030 721 HB VAL 39 HB VAL 39 -13.127 -3.919 -3.284 722 1HG1 VAL 39 1HG1 VAL 39 -13.895 -6.336 -2.937 723 2HG1 VAL 39 2HG1 VAL 39 -12.264 -6.792 -3.422 724 3HG1 VAL 39 3HG1 VAL 39 -13.297 -5.896 -4.536 725 1HG2 VAL 39 1HG2 VAL 39 -13.081 -5.593 -1.077 726 2HG2 VAL 39 2HG2 VAL 39 -13.012 -3.831 -1.064 727 3HG2 VAL 39 3HG2 VAL 39 -11.521 -4.772 -1.033 728 H ASP 40 H ASP 40 -12.115 -2.929 -5.274 729 HA ASP 40 HA ASP 40 -11.707 -4.849 -7.392 730 1HB ASP 40 2HB ASP 40 -13.079 -2.162 -7.372 731 2HB ASP 40 1HB ASP 40 -13.035 -3.256 -8.751 732 H GLY 41 H GLY 41 -9.319 -3.387 -6.308 733 1HA GLY 41 2HA GLY 41 -8.518 -1.482 -8.270 734 2HA GLY 41 1HA GLY 41 -7.456 -2.305 -7.137 735 H GLU 42 H GLU 42 -6.846 -1.726 -9.881 736 HA GLU 42 HA GLU 42 -7.066 -4.256 -11.304 737 1HB GLU 42 2HB GLU 42 -5.660 -1.686 -12.062 738 2HB GLU 42 1HB GLU 42 -5.859 -3.082 -13.112 739 1HG GLU 42 2HG GLU 42 -8.285 -2.798 -13.028 740 2HG GLU 42 1HG GLU 42 -8.081 -1.394 -11.981 741 H TRP 43 H TRP 43 -5.800 -5.776 -10.314 742 HA TRP 43 HA TRP 43 -3.019 -5.069 -9.704 743 1HB TRP 43 2HB TRP 43 -4.609 -7.495 -8.870 744 2HB TRP 43 1HB TRP 43 -2.988 -7.083 -8.330 745 HD1 TRP 43 HD TRP 43 -5.776 -4.441 -8.455 746 HE1 TRP 43 1HE TRP 43 -6.315 -3.718 -6.046 747 HE3 TRP 43 3HE TRP 43 -2.882 -7.812 -5.972 748 HZ2 TRP 43 2HZ TRP 43 -5.592 -4.494 -3.430 749 HZ3 TRP 43 3HZ TRP 43 -2.848 -7.757 -3.523 750 HH2 TRP 43 HH TRP 43 -4.178 -6.132 -2.272 751 H THR 44 H THR 44 -1.407 -5.765 -10.931 752 HA THR 44 HA THR 44 -1.878 -8.037 -12.742 753 HB THR 44 HB THR 44 0.024 -7.130 -14.064 754 HG1 THR 44 1HG THR 44 0.940 -5.964 -12.237 755 1HG2 THR 44 1HG2 THR 44 -1.531 -4.699 -13.995 756 2HG2 THR 44 2HG2 THR 44 -2.550 -6.138 -14.025 757 3HG2 THR 44 3HG2 THR 44 -1.341 -5.887 -15.284 758 H TYR 45 H TYR 45 -0.506 -9.800 -12.627 759 HA TYR 45 HA TYR 45 1.467 -9.717 -10.442 760 1HB TYR 45 2HB TYR 45 -0.480 -11.235 -10.110 761 2HB TYR 45 1HB TYR 45 0.016 -12.132 -11.539 762 HD1 TYR 45 1HD TYR 45 2.321 -10.752 -8.995 763 HD2 TYR 45 2HD TYR 45 0.414 -14.236 -10.520 764 HE1 TYR 45 1HE TYR 45 3.779 -12.154 -7.597 765 HE2 TYR 45 2HE TYR 45 1.866 -15.647 -9.127 766 HH TYR 45 HH TYR 45 3.910 -15.599 -7.952 767 H ASP 46 H ASP 46 3.504 -10.540 -10.727 768 HA ASP 46 HA ASP 46 4.226 -11.368 -13.458 769 1HB ASP 46 2HB ASP 46 5.019 -9.083 -13.015 770 2HB ASP 46 1HB ASP 46 5.859 -9.648 -11.575 771 H ASP 47 H ASP 47 4.029 -13.560 -12.786 772 HA ASP 47 HA ASP 47 5.112 -14.809 -10.606 773 1HB ASP 47 2HB ASP 47 5.073 -15.892 -13.431 774 2HB ASP 47 1HB ASP 47 5.218 -16.853 -11.962 775 H ALA 48 H ALA 48 6.789 -13.779 -13.518 776 HA ALA 48 HA ALA 48 9.171 -15.116 -13.330 777 1HB ALA 48 1HB ALA 48 8.615 -13.658 -15.188 778 2HB ALA 48 2HB ALA 48 10.189 -13.230 -14.515 779 3HB ALA 48 3HB ALA 48 8.774 -12.243 -14.146 780 H THR 49 H THR 49 8.102 -12.400 -11.373 781 HA THR 49 HA THR 49 10.571 -12.685 -9.793 782 HB THR 49 HB THR 49 10.497 -10.262 -9.329 783 HG1 THR 49 1HG THR 49 8.451 -10.213 -11.292 784 1HG2 THR 49 1HG2 THR 49 11.139 -11.421 -11.866 785 2HG2 THR 49 2HG2 THR 49 11.918 -10.091 -11.010 786 3HG2 THR 49 3HG2 THR 49 10.552 -9.772 -12.079 787 H LYS 50 H LYS 50 7.562 -13.531 -9.628 788 HA LYS 50 HA LYS 50 5.947 -13.746 -8.009 789 1HB LYS 50 2HB LYS 50 8.460 -13.595 -6.343 790 2HB LYS 50 1HB LYS 50 6.885 -13.968 -5.662 791 1HG LYS 50 2HG LYS 50 8.250 -15.570 -7.815 792 2HG LYS 50 1HG LYS 50 8.259 -15.964 -6.094 793 1HD LYS 50 2HD LYS 50 5.750 -16.006 -6.192 794 2HD LYS 50 1HD LYS 50 5.882 -15.860 -7.945 795 1HE LYS 50 2HE LYS 50 7.218 -17.930 -7.990 796 2HE LYS 50 1HE LYS 50 7.016 -18.079 -6.243 797 1HZ LYS 50 1HZ LYS 50 4.487 -17.870 -6.977 798 2HZ LYS 50 2HZ LYS 50 5.289 -19.356 -6.889 799 3HZ LYS 50 3HZ LYS 50 5.106 -18.584 -8.382 800 H THR 51 H THR 51 6.470 -11.054 -8.940 801 HA THR 51 HA THR 51 5.863 -9.515 -6.513 802 HB THR 51 HB THR 51 7.058 -8.596 -9.130 803 HG1 THR 51 1HG THR 51 8.451 -9.746 -7.667 804 1HG2 THR 51 1HG2 THR 51 5.835 -7.077 -6.982 805 2HG2 THR 51 2HG2 THR 51 6.324 -6.572 -8.600 806 3HG2 THR 51 3HG2 THR 51 7.507 -6.616 -7.293 807 H PHE 52 H PHE 52 4.174 -8.066 -6.489 808 HA PHE 52 HA PHE 52 2.236 -8.309 -8.703 809 1HB PHE 52 2HB PHE 52 1.607 -7.729 -5.800 810 2HB PHE 52 1HB PHE 52 0.454 -8.039 -7.091 811 HD1 PHE 52 1HD PHE 52 -0.516 -10.112 -7.119 812 HD2 PHE 52 2HD PHE 52 3.410 -9.706 -5.528 813 HE1 PHE 52 1HE PHE 52 -0.512 -12.502 -6.527 814 HE2 PHE 52 2HE PHE 52 3.422 -12.094 -4.942 815 HZ PHE 52 HZ PHE 52 1.461 -13.495 -5.442 816 H THR 53 H THR 53 1.419 -6.429 -9.559 817 HA THR 53 HA THR 53 2.312 -3.928 -8.305 818 HB THR 53 HB THR 53 2.124 -3.029 -10.740 819 HG1 THR 53 1HG THR 53 2.659 -5.762 -11.240 820 1HG2 THR 53 1HG2 THR 53 4.365 -4.600 -9.576 821 2HG2 THR 53 2HG2 THR 53 4.239 -2.868 -9.894 822 3HG2 THR 53 3HG2 THR 53 4.481 -3.997 -11.229 823 H VAL 54 H VAL 54 0.838 -2.521 -7.768 824 HA VAL 54 HA VAL 54 -1.909 -2.893 -8.758 825 HB VAL 54 HB VAL 54 -0.986 -1.497 -6.232 826 1HG1 VAL 54 1HG1 VAL 54 -3.780 -2.158 -7.157 827 2HG1 VAL 54 2HG1 VAL 54 -3.047 -0.555 -7.207 828 3HG1 VAL 54 3HG1 VAL 54 -3.333 -1.346 -5.657 829 1HG2 VAL 54 1HG2 VAL 54 -2.230 -3.442 -5.159 830 2HG2 VAL 54 2HG2 VAL 54 -0.660 -3.797 -5.877 831 3HG2 VAL 54 3HG2 VAL 54 -2.139 -4.225 -6.735 832 H THR 55 H THR 55 -2.234 -1.567 -10.433 833 HA THR 55 HA THR 55 -0.954 1.050 -10.461 834 HB THR 55 HB THR 55 -2.621 -0.171 -12.653 835 HG1 THR 55 1HG THR 55 -0.605 -0.849 -13.504 836 1HG2 THR 55 1HG2 THR 55 -1.024 1.234 -14.044 837 2HG2 THR 55 2HG2 THR 55 -0.628 2.063 -12.537 838 3HG2 THR 55 3HG2 THR 55 -2.283 2.088 -13.149 839 H GLU 56 H GLU 56 -1.990 2.602 -9.426 840 HA GLU 56 HA GLU 56 -4.654 2.720 -8.721 841 1HB GLU 56 2HB GLU 56 -3.011 4.188 -7.730 842 2HB GLU 56 1HB GLU 56 -2.711 4.966 -9.278 843 1HG GLU 56 2HG GLU 56 -4.068 6.355 -7.808 844 2HG GLU 56 1HG GLU 56 -4.941 5.906 -9.273 Start of MODEL 23 1 1H MET 1 1HT MET 1 7.099 -19.745 2.392 2 2H MET 1 2HT MET 1 5.511 -19.279 2.052 3 3H MET 1 3HT MET 1 6.435 -18.385 3.148 4 HA MET 1 HA MET 1 8.036 -18.078 1.168 5 1HB MET 1 2HB MET 1 5.404 -18.807 -0.124 6 2HB MET 1 1HB MET 1 6.700 -17.974 -0.969 7 1HG MET 1 2HG MET 1 8.177 -19.861 -0.614 8 2HG MET 1 1HG MET 1 6.920 -20.695 0.297 9 1HE MET 1 1HE MET 1 7.992 -19.349 -3.272 10 2HE MET 1 2HE MET 1 6.501 -18.486 -2.889 11 3HE MET 1 3HE MET 1 6.521 -19.681 -4.187 12 H GLN 2 H GLN 2 8.221 -15.953 0.645 13 HA GLN 2 HA GLN 2 6.025 -14.185 1.488 14 1HB GLN 2 2HB GLN 2 8.039 -13.978 2.878 15 2HB GLN 2 1HB GLN 2 9.001 -13.646 1.444 16 1HG GLN 2 2HG GLN 2 7.729 -11.600 1.061 17 2HG GLN 2 1HG GLN 2 6.761 -11.931 2.493 18 1HE2 GLN 2 1HE2 GLN 2 9.789 -12.986 3.229 19 2HE2 GLN 2 2HE2 GLN 2 10.417 -11.562 3.971 20 H TYR 3 H TYR 3 5.709 -12.232 0.252 21 HA TYR 3 HA TYR 3 6.864 -12.296 -2.449 22 1HB TYR 3 2HB TYR 3 3.932 -11.922 -1.805 23 2HB TYR 3 1HB TYR 3 4.650 -11.777 -3.406 24 HD1 TYR 3 1HD TYR 3 4.631 -13.625 -4.797 25 HD2 TYR 3 2HD TYR 3 4.382 -14.216 -0.594 26 HE1 TYR 3 1HE TYR 3 4.313 -16.034 -5.162 27 HE2 TYR 3 2HE TYR 3 4.066 -16.631 -0.946 28 HH TYR 3 HH TYR 3 4.512 -18.317 -2.634 29 H LYS 4 H LYS 4 7.011 -10.287 -3.504 30 HA LYS 4 HA LYS 4 6.761 -7.988 -1.681 31 1HB LYS 4 2HB LYS 4 9.047 -8.425 -2.413 32 2HB LYS 4 1HB LYS 4 8.545 -8.358 -4.096 33 1HG LYS 4 2HG LYS 4 7.910 -5.999 -3.786 34 2HG LYS 4 1HG LYS 4 8.487 -6.082 -2.123 35 1HD LYS 4 2HD LYS 4 10.209 -6.633 -4.536 36 2HD LYS 4 1HD LYS 4 10.099 -5.062 -3.744 37 1HE LYS 4 2HE LYS 4 12.034 -6.116 -2.879 38 2HE LYS 4 1HE LYS 4 10.807 -6.211 -1.616 39 1HZ LYS 4 1HZ LYS 4 12.267 -8.289 -2.591 40 2HZ LYS 4 2HZ LYS 4 10.772 -8.483 -3.356 41 3HZ LYS 4 3HZ LYS 4 10.857 -8.419 -1.667 42 H VAL 5 H VAL 5 4.969 -6.868 -2.048 43 HA VAL 5 HA VAL 5 3.864 -6.772 -4.746 44 HB VAL 5 HB VAL 5 2.693 -5.737 -2.162 45 1HG1 VAL 5 1HG1 VAL 5 1.647 -4.519 -3.853 46 2HG1 VAL 5 2HG1 VAL 5 0.557 -5.879 -3.585 47 3HG1 VAL 5 3HG1 VAL 5 1.651 -5.884 -4.968 48 1HG2 VAL 5 1HG2 VAL 5 2.674 -8.382 -3.467 49 2HG2 VAL 5 2HG2 VAL 5 1.122 -7.805 -2.856 50 3HG2 VAL 5 3HG2 VAL 5 2.500 -7.952 -1.765 51 H ILE 6 H ILE 6 3.797 -5.030 -5.981 52 HA ILE 6 HA ILE 6 5.105 -2.591 -5.008 53 HB ILE 6 HB ILE 6 4.705 -3.645 -7.811 54 1HG1 ILE 6 2HG1 ILE 6 7.204 -3.109 -6.191 55 2HG1 ILE 6 1HG1 ILE 6 6.506 -4.694 -6.496 56 1HG2 ILE 6 1HG2 ILE 6 6.383 -1.536 -8.104 57 2HG2 ILE 6 2HG2 ILE 6 5.292 -0.932 -6.856 58 3HG2 ILE 6 3HG2 ILE 6 4.646 -1.481 -8.403 59 1HD1 ILE 6 1HD1 ILE 6 6.854 -4.279 -8.934 60 2HD1 ILE 6 2HD1 ILE 6 8.332 -4.404 -7.980 61 3HD1 ILE 6 3HD1 ILE 6 7.743 -2.823 -8.491 62 H LEU 7 H LEU 7 3.805 -1.005 -4.472 63 HA LEU 7 HA LEU 7 1.102 -0.892 -5.577 64 1HB LEU 7 2HB LEU 7 2.192 0.929 -3.446 65 2HB LEU 7 1HB LEU 7 0.528 0.456 -3.738 66 HG LEU 7 HG LEU 7 2.707 -1.249 -2.558 67 1HD1 LEU 7 1HD1 LEU 7 1.329 -1.252 -0.588 68 2HD1 LEU 7 2HD1 LEU 7 0.084 -0.312 -1.412 69 3HD1 LEU 7 3HD1 LEU 7 1.654 0.412 -1.070 70 1HD2 LEU 7 1HD2 LEU 7 1.293 -2.547 -4.099 71 2HD2 LEU 7 2HD2 LEU 7 -0.134 -2.022 -3.207 72 3HD2 LEU 7 3HD2 LEU 7 1.078 -3.031 -2.417 73 H ASN 8 H ASN 8 1.683 -0.184 -7.665 74 HA ASN 8 HA ASN 8 3.013 2.392 -7.935 75 1HB ASN 8 2HB ASN 8 3.672 0.466 -9.351 76 2HB ASN 8 1HB ASN 8 2.057 0.459 -10.050 77 1HD2 ASN 8 1HD2 ASN 8 5.041 1.199 -10.771 78 2HD2 ASN 8 2HD2 ASN 8 4.825 2.584 -11.781 79 H GLY 9 H GLY 9 1.701 4.123 -7.667 80 1HA GLY 9 2HA GLY 9 -0.914 4.051 -9.048 81 2HA GLY 9 1HA GLY 9 -0.621 4.953 -7.571 82 H LYS 10 H LYS 10 -1.568 6.685 -8.896 83 HA LYS 10 HA LYS 10 0.002 7.752 -11.040 84 1HB LYS 10 2HB LYS 10 -2.334 8.911 -9.512 85 2HB LYS 10 1HB LYS 10 -1.603 9.654 -10.925 86 1HG LYS 10 2HG LYS 10 -2.735 6.883 -10.976 87 2HG LYS 10 1HG LYS 10 -3.714 8.310 -11.296 88 1HD LYS 10 2HD LYS 10 -1.163 7.854 -12.791 89 2HD LYS 10 1HD LYS 10 -2.638 7.012 -13.272 90 1HE LYS 10 2HE LYS 10 -2.458 9.015 -14.569 91 2HE LYS 10 1HE LYS 10 -3.777 9.209 -13.416 92 1HZ LYS 10 1HZ LYS 10 -2.604 10.736 -12.192 93 2HZ LYS 10 2HZ LYS 10 -2.062 11.102 -13.751 94 3HZ LYS 10 3HZ LYS 10 -1.092 10.182 -12.716 95 H THR 11 H THR 11 -0.884 8.980 -7.816 96 HA THR 11 HA THR 11 1.477 10.709 -7.856 97 HB THR 11 HB THR 11 0.182 11.705 -5.824 98 HG1 THR 11 1HG THR 11 -1.965 10.493 -7.205 99 1HG2 THR 11 1HG2 THR 11 -1.546 12.483 -7.925 100 2HG2 THR 11 2HG2 THR 11 0.074 12.278 -8.592 101 3HG2 THR 11 3HG2 THR 11 -0.188 13.367 -7.230 102 H LEU 12 H LEU 12 0.784 7.723 -6.875 103 HA LEU 12 HA LEU 12 2.538 7.953 -4.550 104 1HB LEU 12 2HB LEU 12 0.263 7.815 -3.698 105 2HB LEU 12 1HB LEU 12 -0.023 6.365 -4.639 106 HG LEU 12 HG LEU 12 1.484 5.101 -3.284 107 1HD1 LEU 12 1HD1 LEU 12 2.511 7.722 -2.646 108 2HD1 LEU 12 2HD1 LEU 12 3.283 6.150 -2.511 109 3HD1 LEU 12 3HD1 LEU 12 2.262 6.748 -1.202 110 1HD2 LEU 12 1HD2 LEU 12 0.275 6.471 -1.031 111 2HD2 LEU 12 2HD2 LEU 12 -0.008 4.846 -1.649 112 3HD2 LEU 12 3HD2 LEU 12 -0.864 6.218 -2.352 113 H LYS 13 H LYS 13 4.047 6.416 -4.375 114 HA LYS 13 HA LYS 13 3.842 3.964 -5.938 115 1HB LYS 13 2HB LYS 13 6.172 5.878 -6.206 116 2HB LYS 13 1HB LYS 13 6.076 4.278 -6.928 117 1HG LYS 13 2HG LYS 13 4.191 4.989 -8.294 118 2HG LYS 13 1HG LYS 13 4.244 6.586 -7.547 119 1HD LYS 13 2HD LYS 13 5.339 6.604 -9.726 120 2HD LYS 13 1HD LYS 13 6.494 6.933 -8.435 121 1HE LYS 13 2HE LYS 13 7.425 5.389 -10.082 122 2HE LYS 13 1HE LYS 13 7.251 4.616 -8.507 123 1HZ LYS 13 1HZ LYS 13 6.346 3.627 -10.865 124 2HZ LYS 13 2HZ LYS 13 4.945 4.284 -10.181 125 3HZ LYS 13 3HZ LYS 13 5.836 3.126 -9.330 126 H GLY 14 H GLY 14 5.083 2.258 -5.094 127 1HA GLY 14 2HA GLY 14 7.116 2.577 -3.174 128 2HA GLY 14 1HA GLY 14 5.589 2.355 -2.339 129 H GLU 15 H GLU 15 6.869 0.491 -1.524 130 HA GLU 15 HA GLU 15 6.162 -1.865 -3.084 131 1HB GLU 15 2HB GLU 15 8.943 -1.385 -1.996 132 2HB GLU 15 1HB GLU 15 8.376 -2.896 -2.690 133 1HG GLU 15 2HG GLU 15 8.009 -1.767 -4.831 134 2HG GLU 15 1HG GLU 15 8.604 -0.263 -4.130 135 H THR 16 H THR 16 5.509 -3.540 -1.867 136 HA THR 16 HA THR 16 5.928 -3.423 1.030 137 HB THR 16 HB THR 16 3.772 -2.569 0.971 138 HG1 THR 16 1HG THR 16 3.266 -5.330 0.909 139 1HG2 THR 16 1HG2 THR 16 3.463 -4.110 -1.517 140 2HG2 THR 16 2HG2 THR 16 2.901 -2.494 -1.100 141 3HG2 THR 16 3HG2 THR 16 2.023 -3.908 -0.524 142 H THR 17 H THR 17 5.235 -5.554 2.095 143 HA THR 17 HA THR 17 5.560 -7.836 0.297 144 HB THR 17 HB THR 17 7.302 -8.806 1.780 145 HG1 THR 17 1HG THR 17 7.397 -7.823 3.637 146 1HG2 THR 17 1HG2 THR 17 9.170 -7.359 1.089 147 2HG2 THR 17 2HG2 THR 17 7.999 -6.165 0.527 148 3HG2 THR 17 3HG2 THR 17 8.072 -7.757 -0.232 149 H THR 18 H THR 18 4.015 -9.216 0.705 150 HA THR 18 HA THR 18 2.946 -9.489 3.443 151 HB THR 18 HB THR 18 1.315 -8.905 1.668 152 HG1 THR 18 1HG THR 18 0.740 -10.260 3.473 153 1HG2 THR 18 1HG2 THR 18 0.653 -10.886 0.160 154 2HG2 THR 18 2HG2 THR 18 2.317 -11.418 0.404 155 3HG2 THR 18 3HG2 THR 18 1.991 -9.846 -0.329 156 H GLU 19 H GLU 19 2.932 -11.483 4.440 157 HA GLU 19 HA GLU 19 4.596 -13.557 3.183 158 1HB GLU 19 2HB GLU 19 5.241 -12.731 5.437 159 2HB GLU 19 1HB GLU 19 3.688 -13.269 6.061 160 1HG GLU 19 2HG GLU 19 5.307 -14.896 6.652 161 2HG GLU 19 1HG GLU 19 4.301 -15.586 5.380 162 H ALA 20 H ALA 20 3.445 -15.107 2.104 163 HA ALA 20 HA ALA 20 1.148 -16.272 3.458 164 1HB ALA 20 1HB ALA 20 0.635 -14.317 1.695 165 2HB ALA 20 2HB ALA 20 -0.444 -15.682 1.973 166 3HB ALA 20 3HB ALA 20 0.669 -15.701 0.605 167 H VAL 21 H VAL 21 0.601 -18.315 2.784 168 HA VAL 21 HA VAL 21 2.604 -20.076 2.143 169 HB VAL 21 HB VAL 21 -0.292 -20.541 1.442 170 1HG1 VAL 21 1HG1 VAL 21 0.183 -22.860 1.774 171 2HG1 VAL 21 2HG1 VAL 21 1.812 -22.497 2.344 172 3HG1 VAL 21 3HG1 VAL 21 1.384 -22.210 0.657 173 1HG2 VAL 21 1HG2 VAL 21 -0.469 -19.845 3.637 174 2HG2 VAL 21 2HG2 VAL 21 1.111 -20.493 4.080 175 3HG2 VAL 21 3HG2 VAL 21 -0.249 -21.586 3.820 176 H ASP 22 H ASP 22 0.595 -18.268 -0.077 177 HA ASP 22 HA ASP 22 2.350 -19.010 -2.251 178 1HB ASP 22 2HB ASP 22 0.424 -19.679 -3.742 179 2HB ASP 22 1HB ASP 22 0.850 -20.837 -2.486 180 H ALA 23 H ALA 23 1.588 -17.915 -4.356 181 HA ALA 23 HA ALA 23 1.540 -15.168 -3.943 182 1HB ALA 23 1HB ALA 23 1.046 -16.897 -6.327 183 2HB ALA 23 2HB ALA 23 2.378 -15.787 -6.004 184 3HB ALA 23 3HB ALA 23 0.787 -15.155 -6.430 185 H ALA 24 H ALA 24 -1.114 -17.393 -4.648 186 HA ALA 24 HA ALA 24 -3.104 -15.409 -4.951 187 1HB ALA 24 1HB ALA 24 -3.969 -17.360 -5.716 188 2HB ALA 24 2HB ALA 24 -4.536 -17.517 -4.055 189 3HB ALA 24 3HB ALA 24 -3.062 -18.339 -4.563 190 H THR 25 H THR 25 -2.287 -17.465 -2.126 191 HA THR 25 HA THR 25 -4.032 -16.288 -0.322 192 HB THR 25 HB THR 25 -2.357 -17.002 1.419 193 HG1 THR 25 1HG THR 25 -0.430 -17.492 0.861 194 1HG2 THR 25 1HG2 THR 25 -2.380 -19.445 0.817 195 2HG2 THR 25 2HG2 THR 25 -3.203 -18.970 -0.669 196 3HG2 THR 25 3HG2 THR 25 -3.948 -18.640 0.896 197 H ALA 26 H ALA 26 -0.745 -15.401 -1.263 198 HA ALA 26 HA ALA 26 -0.425 -13.201 0.453 199 1HB ALA 26 1HB ALA 26 1.539 -12.909 -0.610 200 2HB ALA 26 2HB ALA 26 0.788 -12.920 -2.206 201 3HB ALA 26 3HB ALA 26 1.156 -14.441 -1.392 202 H GLU 27 H GLU 27 -1.548 -13.364 -2.941 203 HA GLU 27 HA GLU 27 -2.115 -10.687 -3.305 204 1HB GLU 27 2HB GLU 27 -2.167 -12.385 -5.099 205 2HB GLU 27 1HB GLU 27 -3.661 -13.020 -4.423 206 1HG GLU 27 2HG GLU 27 -4.767 -10.894 -4.850 207 2HG GLU 27 1HG GLU 27 -3.272 -10.249 -5.525 208 H LYS 28 H LYS 28 -4.185 -13.262 -2.022 209 HA LYS 28 HA LYS 28 -6.486 -11.678 -1.643 210 1HB LYS 28 2HB LYS 28 -5.595 -14.185 -0.208 211 2HB LYS 28 1HB LYS 28 -7.201 -13.480 -0.090 212 1HG LYS 28 2HG LYS 28 -5.920 -14.562 -2.590 213 2HG LYS 28 1HG LYS 28 -7.181 -15.347 -1.637 214 1HD LYS 28 2HD LYS 28 -7.444 -12.684 -3.033 215 2HD LYS 28 1HD LYS 28 -8.082 -14.218 -3.631 216 1HE LYS 28 2HE LYS 28 -8.857 -12.848 -1.057 217 2HE LYS 28 1HE LYS 28 -9.824 -12.911 -2.530 218 1HZ LYS 28 1HZ LYS 28 -9.277 -15.524 -2.004 219 2HZ LYS 28 2HZ LYS 28 -10.724 -14.727 -1.640 220 3HZ LYS 28 3HZ LYS 28 -9.519 -14.873 -0.462 221 H VAL 29 H VAL 29 -3.848 -12.603 0.542 222 HA VAL 29 HA VAL 29 -4.754 -11.364 2.854 223 HB VAL 29 HB VAL 29 -1.900 -11.637 1.881 224 1HG1 VAL 29 1HG1 VAL 29 -1.544 -11.606 4.470 225 2HG1 VAL 29 2HG1 VAL 29 -3.061 -10.708 4.465 226 3HG1 VAL 29 3HG1 VAL 29 -1.670 -10.095 3.570 227 1HG2 VAL 29 1HG2 VAL 29 -2.847 -13.375 4.033 228 2HG2 VAL 29 2HG2 VAL 29 -1.917 -13.764 2.586 229 3HG2 VAL 29 3HG2 VAL 29 -3.674 -13.629 2.497 230 H VAL 30 H VAL 30 -2.942 -10.047 0.133 231 HA VAL 30 HA VAL 30 -2.560 -7.457 1.182 232 HB VAL 30 HB VAL 30 -2.909 -8.202 -1.727 233 1HG1 VAL 30 1HG1 VAL 30 -2.878 -5.732 -0.833 234 2HG1 VAL 30 2HG1 VAL 30 -1.981 -6.179 -2.285 235 3HG1 VAL 30 3HG1 VAL 30 -1.138 -6.017 -0.745 236 1HG2 VAL 30 1HG2 VAL 30 -1.074 -9.319 -0.083 237 2HG2 VAL 30 2HG2 VAL 30 -0.198 -7.892 -0.632 238 3HG2 VAL 30 3HG2 VAL 30 -0.824 -9.049 -1.806 239 H LYS 31 H LYS 31 -5.141 -8.904 -0.822 240 HA LYS 31 HA LYS 31 -6.718 -6.725 -1.337 241 1HB LYS 31 2HB LYS 31 -7.760 -9.409 -0.415 242 2HB LYS 31 1HB LYS 31 -8.666 -8.203 -1.310 243 1HG LYS 31 2HG LYS 31 -6.349 -9.834 -2.291 244 2HG LYS 31 1HG LYS 31 -8.030 -9.948 -2.796 245 1HD LYS 31 2HD LYS 31 -7.748 -7.490 -3.517 246 2HD LYS 31 1HD LYS 31 -6.018 -7.814 -3.386 247 1HE LYS 31 2HE LYS 31 -6.822 -8.130 -5.674 248 2HE LYS 31 1HE LYS 31 -6.206 -9.627 -4.981 249 1HZ LYS 31 1HZ LYS 31 -8.675 -9.222 -6.134 250 2HZ LYS 31 2HZ LYS 31 -8.983 -9.363 -4.477 251 3HZ LYS 31 3HZ LYS 31 -8.158 -10.595 -5.290 252 H GLN 32 H GLN 32 -6.803 -8.758 1.559 253 HA GLN 32 HA GLN 32 -8.719 -7.276 2.985 254 1HB GLN 32 2HB GLN 32 -7.968 -9.556 3.625 255 2HB GLN 32 1HB GLN 32 -6.415 -8.888 4.103 256 1HG GLN 32 2HG GLN 32 -7.757 -9.244 6.052 257 2HG GLN 32 1HG GLN 32 -7.551 -7.515 5.796 258 1HE2 GLN 32 1HE2 GLN 32 -9.732 -8.806 3.564 259 2HE2 GLN 32 2HE2 GLN 32 -11.191 -8.384 4.379 260 H PHE 33 H PHE 33 -5.240 -6.978 2.699 261 HA PHE 33 HA PHE 33 -4.696 -5.128 4.688 262 1HB PHE 33 2HB PHE 33 -3.030 -6.316 3.216 263 2HB PHE 33 1HB PHE 33 -3.432 -5.179 1.935 264 HD1 PHE 33 1HD PHE 33 -2.264 -5.293 5.452 265 HD2 PHE 33 2HD PHE 33 -2.218 -3.218 1.727 266 HE1 PHE 33 1HE PHE 33 -0.615 -3.701 6.347 267 HE2 PHE 33 2HE PHE 33 -0.562 -1.637 2.633 268 HZ PHE 33 HZ PHE 33 0.228 -1.890 4.956 269 H PHE 34 H PHE 34 -5.214 -4.387 1.263 270 HA PHE 34 HA PHE 34 -5.619 -1.596 1.690 271 1HB PHE 34 2HB PHE 34 -6.273 -3.311 -0.709 272 2HB PHE 34 1HB PHE 34 -6.280 -1.545 -0.690 273 HD1 PHE 34 1HD PHE 34 -3.967 -0.849 0.841 274 HD2 PHE 34 2HD PHE 34 -4.453 -3.991 -1.985 275 HE1 PHE 34 1HE PHE 34 -1.544 -0.853 0.443 276 HE2 PHE 34 2HE PHE 34 -2.025 -3.997 -2.396 277 HZ PHE 34 HZ PHE 34 -0.575 -2.430 -1.165 278 H ASN 35 H ASN 35 -7.780 -4.332 1.302 279 HA ASN 35 HA ASN 35 -10.234 -3.088 1.062 280 1HB ASN 35 2HB ASN 35 -9.882 -5.531 0.995 281 2HB ASN 35 1HB ASN 35 -9.550 -5.527 2.724 282 1HD2 ASN 35 1HD2 ASN 35 -11.693 -6.590 0.790 283 2HD2 ASN 35 2HD2 ASN 35 -13.168 -6.242 1.617 284 H ASP 36 H ASP 36 -8.272 -3.653 3.899 285 HA ASP 36 HA ASP 36 -10.214 -2.325 5.633 286 1HB ASP 36 2HB ASP 36 -7.638 -3.758 6.300 287 2HB ASP 36 1HB ASP 36 -8.717 -3.027 7.485 288 H ASN 37 H ASN 37 -7.203 -1.622 4.044 289 HA ASN 37 HA ASN 37 -6.550 0.566 5.818 290 1HB ASN 37 2HB ASN 37 -5.415 -0.184 3.112 291 2HB ASN 37 1HB ASN 37 -4.818 1.136 4.111 292 1HD2 ASN 37 1HD2 ASN 37 -3.712 -1.523 3.121 293 2HD2 ASN 37 2HD2 ASN 37 -3.040 -2.229 4.549 294 H GLY 38 H GLY 38 -7.813 0.146 2.569 295 1HA GLY 38 2HA GLY 38 -8.222 2.145 1.163 296 2HA GLY 38 1HA GLY 38 -9.694 1.482 1.836 297 H VAL 39 H VAL 39 -11.019 2.894 2.668 298 HA VAL 39 HA VAL 39 -9.976 5.539 3.423 299 HB VAL 39 HB VAL 39 -12.795 4.777 2.742 300 1HG1 VAL 39 1HG1 VAL 39 -12.639 7.372 2.134 301 2HG1 VAL 39 2HG1 VAL 39 -11.419 7.312 3.406 302 3HG1 VAL 39 3HG1 VAL 39 -13.069 6.795 3.744 303 1HG2 VAL 39 1HG2 VAL 39 -10.824 6.112 0.896 304 2HG2 VAL 39 2HG2 VAL 39 -12.436 5.507 0.511 305 3HG2 VAL 39 3HG2 VAL 39 -11.135 4.377 0.886 306 H ASP 40 H ASP 40 -10.865 2.851 5.142 307 HA ASP 40 HA ASP 40 -12.039 4.529 7.250 308 1HB ASP 40 2HB ASP 40 -12.727 1.657 6.603 309 2HB ASP 40 1HB ASP 40 -13.340 2.559 7.987 310 H GLY 41 H GLY 41 -9.238 3.291 6.539 311 1HA GLY 41 2HA GLY 41 -8.723 1.603 8.821 312 2HA GLY 41 1HA GLY 41 -7.536 2.183 7.662 313 H GLU 42 H GLU 42 -6.772 2.102 10.205 314 HA GLU 42 HA GLU 42 -7.115 4.779 11.353 315 1HB GLU 42 2HB GLU 42 -5.931 2.226 12.445 316 2HB GLU 42 1HB GLU 42 -5.763 3.768 13.269 317 1HG GLU 42 2HG GLU 42 -7.557 2.547 14.262 318 2HG GLU 42 1HG GLU 42 -8.226 3.925 13.395 319 H TRP 43 H TRP 43 -5.776 6.214 10.404 320 HA TRP 43 HA TRP 43 -3.046 5.377 9.743 321 1HB TRP 43 2HB TRP 43 -4.589 7.838 8.913 322 2HB TRP 43 1HB TRP 43 -2.977 7.407 8.361 323 HD1 TRP 43 HD TRP 43 -5.870 4.851 8.529 324 HE1 TRP 43 1HE TRP 43 -6.387 4.086 6.125 325 HE3 TRP 43 3HE TRP 43 -2.786 8.038 5.984 326 HZ2 TRP 43 2HZ TRP 43 -5.591 4.755 3.496 327 HZ3 TRP 43 3HZ TRP 43 -2.719 7.909 3.534 328 HH2 TRP 43 HH TRP 43 -4.097 6.300 2.315 329 H THR 44 H THR 44 -1.380 5.993 10.964 330 HA THR 44 HA THR 44 -1.692 8.355 12.697 331 HB THR 44 HB THR 44 0.096 7.335 14.101 332 HG1 THR 44 1HG THR 44 -0.277 5.105 12.394 333 1HG2 THR 44 1HG2 THR 44 -1.212 5.750 15.226 334 2HG2 THR 44 2HG2 THR 44 -2.107 5.332 13.766 335 3HG2 THR 44 3HG2 THR 44 -2.358 6.900 14.535 336 H TYR 45 H TYR 45 -0.164 9.978 12.556 337 HA TYR 45 HA TYR 45 1.842 9.649 10.423 338 1HB TYR 45 2HB TYR 45 0.070 11.320 9.987 339 2HB TYR 45 1HB TYR 45 0.560 12.194 11.433 340 HD1 TYR 45 1HD TYR 45 2.861 10.628 8.986 341 HD2 TYR 45 2HD TYR 45 1.176 14.251 10.447 342 HE1 TYR 45 1HE TYR 45 4.480 11.912 7.653 343 HE2 TYR 45 2HE TYR 45 2.790 15.544 9.118 344 HH TYR 45 HH TYR 45 4.233 15.342 7.261 345 H ASP 46 H ASP 46 3.942 10.363 10.710 346 HA ASP 46 HA ASP 46 4.694 11.135 13.451 347 1HB ASP 46 2HB ASP 46 5.339 8.806 13.013 348 2HB ASP 46 1HB ASP 46 6.216 9.312 11.571 349 H ASP 47 H ASP 47 4.614 13.334 12.748 350 HA ASP 47 HA ASP 47 5.783 14.537 10.605 351 1HB ASP 47 2HB ASP 47 5.854 15.583 13.442 352 2HB ASP 47 1HB ASP 47 6.024 16.550 11.980 353 H ALA 48 H ALA 48 7.425 13.321 13.464 354 HA ALA 48 HA ALA 48 9.873 14.527 13.310 355 1HB ALA 48 1HB ALA 48 10.767 12.697 14.534 356 2HB ALA 48 2HB ALA 48 9.523 11.603 13.926 357 3HB ALA 48 3HB ALA 48 9.090 12.898 15.043 358 H THR 49 H THR 49 8.684 11.913 11.272 359 HA THR 49 HA THR 49 11.134 12.194 9.660 360 HB THR 49 HB THR 49 10.985 9.789 9.111 361 HG1 THR 49 1HG THR 49 9.551 8.492 10.156 362 1HG2 THR 49 1HG2 THR 49 11.172 9.119 11.768 363 2HG2 THR 49 2HG2 THR 49 11.636 10.822 11.738 364 3HG2 THR 49 3HG2 THR 49 12.492 9.655 10.729 365 H LYS 50 H LYS 50 8.200 13.184 9.550 366 HA LYS 50 HA LYS 50 6.554 13.491 7.986 367 1HB LYS 50 2HB LYS 50 8.948 13.220 6.163 368 2HB LYS 50 1HB LYS 50 7.382 13.857 5.677 369 1HG LYS 50 2HG LYS 50 8.010 15.366 7.891 370 2HG LYS 50 1HG LYS 50 9.568 15.146 7.090 371 1HD LYS 50 2HD LYS 50 8.584 15.944 4.986 372 2HD LYS 50 1HD LYS 50 7.043 16.181 5.813 373 1HE LYS 50 2HE LYS 50 8.260 18.286 5.601 374 2HE LYS 50 1HE LYS 50 8.080 17.822 7.292 375 1HZ LYS 50 1HZ LYS 50 10.489 16.777 6.216 376 2HZ LYS 50 2HZ LYS 50 10.269 17.810 7.539 377 3HZ LYS 50 3HZ LYS 50 10.420 18.452 5.981 378 H THR 51 H THR 51 6.854 10.811 8.867 379 HA THR 51 HA THR 51 6.045 9.343 6.448 380 HB THR 51 HB THR 51 7.507 8.284 8.875 381 HG1 THR 51 1HG THR 51 8.880 9.370 7.475 382 1HG2 THR 51 1HG2 THR 51 5.855 6.868 7.108 383 2HG2 THR 51 2HG2 THR 51 6.982 6.218 8.300 384 3HG2 THR 51 3HG2 THR 51 7.515 6.504 6.643 385 H PHE 52 H PHE 52 4.211 8.165 6.526 386 HA PHE 52 HA PHE 52 2.591 8.371 8.979 387 1HB PHE 52 2HB PHE 52 1.622 7.770 6.175 388 2HB PHE 52 1HB PHE 52 0.637 8.167 7.575 389 HD1 PHE 52 1HD PHE 52 -0.243 10.276 7.630 390 HD2 PHE 52 2HD PHE 52 3.475 9.662 5.654 391 HE1 PHE 52 1HE PHE 52 -0.208 12.646 6.961 392 HE2 PHE 52 2HE PHE 52 3.523 12.027 4.993 393 HZ PHE 52 HZ PHE 52 1.680 13.521 5.646 394 H THR 53 H THR 53 1.574 6.507 9.807 395 HA THR 53 HA THR 53 2.465 3.976 8.595 396 HB THR 53 HB THR 53 2.098 3.086 11.019 397 HG1 THR 53 1HG THR 53 2.534 5.844 11.475 398 1HG2 THR 53 1HG2 THR 53 4.468 4.187 11.606 399 2HG2 THR 53 2HG2 THR 53 4.435 4.431 9.860 400 3HG2 THR 53 3HG2 THR 53 4.261 2.806 10.526 401 H VAL 54 H VAL 54 0.946 2.765 7.822 402 HA VAL 54 HA VAL 54 -1.829 3.208 8.674 403 HB VAL 54 HB VAL 54 -0.813 1.787 6.205 404 1HG1 VAL 54 1HG1 VAL 54 -3.503 2.216 7.363 405 2HG1 VAL 54 2HG1 VAL 54 -2.887 0.886 6.381 406 3HG1 VAL 54 3HG1 VAL 54 -3.340 2.409 5.616 407 1HG2 VAL 54 1HG2 VAL 54 -1.751 3.817 5.040 408 2HG2 VAL 54 2HG2 VAL 54 -0.276 4.086 5.968 409 3HG2 VAL 54 3HG2 VAL 54 -1.835 4.586 6.624 410 H THR 55 H THR 55 -2.371 1.878 10.284 411 HA THR 55 HA THR 55 -1.350 -0.866 10.268 412 HB THR 55 HB THR 55 -2.925 0.488 12.458 413 HG1 THR 55 1HG THR 55 -1.161 1.624 12.646 414 1HG2 THR 55 1HG2 THR 55 -1.208 -1.975 12.386 415 2HG2 THR 55 2HG2 THR 55 -2.920 -1.853 12.802 416 3HG2 THR 55 3HG2 THR 55 -1.701 -1.171 13.878 417 H GLU 56 H GLU 56 -2.556 -2.337 9.261 418 HA GLU 56 HA GLU 56 -5.006 -2.084 8.176 419 1HB GLU 56 2HB GLU 56 -5.182 -4.471 8.113 420 2HB GLU 56 1HB GLU 56 -3.478 -4.054 7.968 421 1HG GLU 56 2HG GLU 56 -3.510 -5.852 9.425 422 2HG GLU 56 1HG GLU 56 -3.354 -4.452 10.483 423 1H MET 1 1HT MET 1 7.610 19.618 -2.199 424 2H MET 1 2HT MET 1 6.005 19.192 -1.880 425 3H MET 1 3HT MET 1 6.924 18.275 -2.965 426 HA MET 1 HA MET 1 8.488 17.929 -0.961 427 1HB MET 1 2HB MET 1 5.857 18.724 0.293 428 2HB MET 1 1HB MET 1 7.120 17.860 1.157 429 1HG MET 1 2HG MET 1 8.648 19.709 0.823 430 2HG MET 1 1HG MET 1 7.424 20.574 -0.106 431 1HE MET 1 1HE MET 1 8.412 19.201 3.477 432 2HE MET 1 2HE MET 1 6.907 18.376 3.074 433 3HE MET 1 3HE MET 1 6.937 19.570 4.372 434 H GLN 2 H GLN 2 8.615 15.802 -0.436 435 HA GLN 2 HA GLN 2 6.387 14.087 -1.311 436 1HB GLN 2 2HB GLN 2 8.417 13.830 -2.672 437 2HB GLN 2 1HB GLN 2 9.350 13.476 -1.225 438 1HG GLN 2 2HG GLN 2 8.023 11.461 -0.859 439 2HG GLN 2 1HG GLN 2 7.083 11.815 -2.305 440 1HE2 GLN 2 1HE2 GLN 2 10.147 12.798 -2.998 441 2HE2 GLN 2 2HE2 GLN 2 10.749 11.357 -3.732 442 H TYR 3 H TYR 3 6.008 12.142 -0.079 443 HA TYR 3 HA TYR 3 7.126 12.178 2.636 444 1HB TYR 3 2HB TYR 3 4.194 11.877 1.953 445 2HB TYR 3 1HB TYR 3 4.887 11.714 3.564 446 HD1 TYR 3 1HD TYR 3 4.892 13.561 4.954 447 HD2 TYR 3 2HD TYR 3 4.717 14.159 0.747 448 HE1 TYR 3 1HE TYR 3 4.629 15.979 5.315 449 HE2 TYR 3 2HE TYR 3 4.454 16.579 1.096 450 HH TYR 3 HH TYR 3 4.918 18.256 2.791 451 H LYS 4 H LYS 4 7.209 10.167 3.693 452 HA LYS 4 HA LYS 4 6.929 7.875 1.867 453 1HB LYS 4 2HB LYS 4 9.214 8.256 2.631 454 2HB LYS 4 1HB LYS 4 8.686 8.201 4.307 455 1HG LYS 4 2HG LYS 4 7.999 5.859 3.989 456 2HG LYS 4 1HG LYS 4 8.601 5.926 2.333 457 1HD LYS 4 2HD LYS 4 10.303 6.437 4.770 458 2HD LYS 4 1HD LYS 4 10.165 4.869 3.977 459 1HE LYS 4 2HE LYS 4 12.138 5.875 3.139 460 2HE LYS 4 1HE LYS 4 10.933 5.999 1.860 461 1HZ LYS 4 1HZ LYS 4 12.427 8.042 2.856 462 2HZ LYS 4 2HZ LYS 4 10.927 8.272 3.600 463 3HZ LYS 4 3HZ LYS 4 11.032 8.206 1.912 464 H VAL 5 H VAL 5 5.104 6.798 2.209 465 HA VAL 5 HA VAL 5 3.960 6.730 4.891 466 HB VAL 5 HB VAL 5 2.801 5.724 2.290 467 1HG1 VAL 5 1HG1 VAL 5 1.701 4.530 3.965 468 2HG1 VAL 5 2HG1 VAL 5 0.648 5.916 3.682 469 3HG1 VAL 5 3HG1 VAL 5 1.722 5.895 5.082 470 1HG2 VAL 5 1HG2 VAL 5 2.827 8.367 3.595 471 2HG2 VAL 5 2HG2 VAL 5 1.271 7.828 2.963 472 3HG2 VAL 5 3HG2 VAL 5 2.667 7.942 1.891 473 H ILE 6 H ILE 6 3.833 4.988 6.124 474 HA ILE 6 HA ILE 6 5.094 2.519 5.169 475 HB ILE 6 HB ILE 6 4.681 3.584 7.966 476 1HG1 ILE 6 2HG1 ILE 6 7.189 2.986 6.383 477 2HG1 ILE 6 1HG1 ILE 6 6.526 4.588 6.677 478 1HG2 ILE 6 1HG2 ILE 6 6.303 1.436 8.284 479 2HG2 ILE 6 2HG2 ILE 6 5.215 0.857 7.021 480 3HG2 ILE 6 3HG2 ILE 6 4.560 1.423 8.558 481 1HD1 ILE 6 1HD1 ILE 6 6.829 4.165 9.122 482 2HD1 ILE 6 2HD1 ILE 6 8.323 4.256 8.187 483 3HD1 ILE 6 3HD1 ILE 6 7.689 2.688 8.689 484 H LEU 7 H LEU 7 3.765 0.966 4.615 485 HA LEU 7 HA LEU 7 1.045 0.919 5.683 486 1HB LEU 7 2HB LEU 7 2.120 -0.928 3.568 487 2HB LEU 7 1HB LEU 7 0.464 -0.417 3.836 488 HG LEU 7 HG LEU 7 2.700 1.235 2.686 489 1HD1 LEU 7 1HD1 LEU 7 1.349 1.272 0.696 490 2HD1 LEU 7 2HD1 LEU 7 0.072 0.363 1.502 491 3HD1 LEU 7 3HD1 LEU 7 1.628 -0.399 1.181 492 1HD2 LEU 7 1HD2 LEU 7 1.297 2.569 4.206 493 2HD2 LEU 7 2HD2 LEU 7 -0.130 2.077 3.295 494 3HD2 LEU 7 3HD2 LEU 7 1.117 3.057 2.522 495 H ASN 8 H ASN 8 1.578 0.197 7.777 496 HA ASN 8 HA ASN 8 2.842 -2.410 8.066 497 1HB ASN 8 2HB ASN 8 3.526 -0.500 9.492 498 2HB ASN 8 1HB ASN 8 1.902 -0.454 10.168 499 1HD2 ASN 8 1HD2 ASN 8 4.857 -1.265 10.930 500 2HD2 ASN 8 2HD2 ASN 8 4.594 -2.645 11.938 501 H GLY 9 H GLY 9 1.492 -4.109 7.780 502 1HA GLY 9 2HA GLY 9 -1.138 -3.972 9.122 503 2HA GLY 9 1HA GLY 9 -0.848 -4.882 7.650 504 H LYS 10 H LYS 10 -1.856 -6.591 8.962 505 HA LYS 10 HA LYS 10 -0.343 -7.696 11.128 506 1HB LYS 10 2HB LYS 10 -2.684 -8.798 9.565 507 2HB LYS 10 1HB LYS 10 -1.992 -9.558 10.989 508 1HG LYS 10 2HG LYS 10 -3.055 -6.760 11.023 509 2HG LYS 10 1HG LYS 10 -4.075 -8.164 11.331 510 1HD LYS 10 2HD LYS 10 -1.533 -7.769 12.862 511 2HD LYS 10 1HD LYS 10 -2.995 -6.892 13.322 512 1HE LYS 10 2HE LYS 10 -2.882 -8.898 14.619 513 2HE LYS 10 1HE LYS 10 -4.190 -9.060 13.450 514 1HZ LYS 10 1HZ LYS 10 -3.037 -10.615 12.243 515 2HZ LYS 10 2HZ LYS 10 -2.525 -10.994 13.808 516 3HZ LYS 10 3HZ LYS 10 -1.519 -10.098 12.787 517 H THR 11 H THR 11 -1.213 -8.902 7.892 518 HA THR 11 HA THR 11 1.106 -10.687 7.964 519 HB THR 11 HB THR 11 -0.186 -11.652 5.913 520 HG1 THR 11 1HG THR 11 -2.322 -10.389 7.265 521 1HG2 THR 11 1HG2 THR 11 -1.960 -12.388 7.990 522 2HG2 THR 11 2HG2 THR 11 -0.345 -12.222 8.681 523 3HG2 THR 11 3HG2 THR 11 -0.614 -13.304 7.314 524 H LEU 12 H LEU 12 0.498 -7.685 6.973 525 HA LEU 12 HA LEU 12 2.279 -7.960 4.673 526 1HB LEU 12 2HB LEU 12 0.021 -7.765 3.789 527 2HB LEU 12 1HB LEU 12 -0.244 -6.308 4.726 528 HG LEU 12 HG LEU 12 1.313 -5.081 3.393 529 1HD1 LEU 12 1HD1 LEU 12 2.285 -7.727 2.770 530 2HD1 LEU 12 2HD1 LEU 12 3.098 -6.175 2.648 531 3HD1 LEU 12 3HD1 LEU 12 2.081 -6.748 1.322 532 1HD2 LEU 12 1HD2 LEU 12 0.104 -6.423 1.124 533 2HD2 LEU 12 2HD2 LEU 12 -0.150 -4.791 1.738 534 3HD2 LEU 12 3HD2 LEU 12 -1.049 -6.140 2.427 535 H LYS 13 H LYS 13 3.829 -6.459 4.519 536 HA LYS 13 HA LYS 13 3.660 -4.003 6.081 537 1HB LYS 13 2HB LYS 13 5.940 -5.973 6.382 538 2HB LYS 13 1HB LYS 13 5.871 -4.371 7.103 539 1HG LYS 13 2HG LYS 13 3.951 -5.035 8.440 540 2HG LYS 13 1HG LYS 13 3.975 -6.634 7.693 541 1HD LYS 13 2HD LYS 13 5.040 -6.677 9.889 542 2HD LYS 13 1HD LYS 13 6.204 -7.034 8.614 543 1HE LYS 13 2HE LYS 13 7.150 -5.513 10.274 544 2HE LYS 13 1HE LYS 13 7.016 -4.737 8.696 545 1HZ LYS 13 1HZ LYS 13 6.102 -3.726 11.042 546 2HZ LYS 13 2HZ LYS 13 4.695 -4.350 10.339 547 3HZ LYS 13 3HZ LYS 13 5.627 -3.213 9.501 548 H GLY 14 H GLY 14 4.954 -2.327 5.255 549 1HA GLY 14 2HA GLY 14 7.006 -2.695 3.363 550 2HA GLY 14 1HA GLY 14 5.497 -2.436 2.508 551 H GLU 15 H GLU 15 6.832 -0.605 1.710 552 HA GLU 15 HA GLU 15 6.161 1.766 3.260 553 1HB GLU 15 2HB GLU 15 8.946 1.220 2.212 554 2HB GLU 15 1HB GLU 15 8.404 2.745 2.899 555 1HG GLU 15 2HG GLU 15 7.980 1.626 5.034 556 2HG GLU 15 1HG GLU 15 8.549 0.107 4.342 557 H THR 16 H THR 16 5.565 3.458 2.035 558 HA THR 16 HA THR 16 6.022 3.331 -0.856 559 HB THR 16 HB THR 16 3.846 2.530 -0.828 560 HG1 THR 16 1HG THR 16 3.406 5.302 -0.772 561 1HG2 THR 16 1HG2 THR 16 3.540 4.076 1.656 562 2HG2 THR 16 2HG2 THR 16 2.945 2.474 1.232 563 3HG2 THR 16 3HG2 THR 16 2.110 3.911 0.643 564 H THR 17 H THR 17 5.396 5.478 -1.930 565 HA THR 17 HA THR 17 5.753 7.751 -0.128 566 HB THR 17 HB THR 17 7.538 8.679 -1.586 567 HG1 THR 17 1HG THR 17 7.635 7.694 -3.440 568 1HG2 THR 17 1HG2 THR 17 9.360 7.187 -0.869 569 2HG2 THR 17 2HG2 THR 17 8.153 6.022 -0.323 570 3HG2 THR 17 3HG2 THR 17 8.253 7.612 0.436 571 H THR 18 H THR 18 4.247 9.168 -0.558 572 HA THR 18 HA THR 18 3.223 9.467 -3.310 573 HB THR 18 HB THR 18 1.556 8.922 -1.558 574 HG1 THR 18 1HG THR 18 1.038 10.292 -3.370 575 1HG2 THR 18 1HG2 THR 18 0.919 10.920 -0.060 576 2HG2 THR 18 2HG2 THR 18 2.599 11.409 -0.279 577 3HG2 THR 18 3HG2 THR 18 2.224 9.848 0.449 578 H GLU 19 H GLU 19 3.274 11.460 -4.306 579 HA GLU 19 HA GLU 19 4.968 13.494 -3.027 580 1HB GLU 19 2HB GLU 19 5.626 12.652 -5.271 581 2HB GLU 19 1HB GLU 19 4.096 13.228 -5.918 582 1HG GLU 19 2HG GLU 19 5.762 14.813 -6.484 583 2HG GLU 19 1HG GLU 19 4.753 15.529 -5.227 584 H ALA 20 H ALA 20 3.840 15.073 -1.964 585 HA ALA 20 HA ALA 20 1.591 16.292 -3.348 586 1HB ALA 20 1HB ALA 20 1.009 14.348 -1.595 587 2HB ALA 20 2HB ALA 20 -0.034 15.740 -1.887 588 3HB ALA 20 3HB ALA 20 1.061 15.733 -0.504 589 H VAL 21 H VAL 21 1.085 18.347 -2.682 590 HA VAL 21 HA VAL 21 3.120 20.060 -2.012 591 HB VAL 21 HB VAL 21 0.226 20.594 -1.353 592 1HG1 VAL 21 1HG1 VAL 21 0.763 22.901 -1.679 593 2HG1 VAL 21 2HG1 VAL 21 2.392 22.499 -2.223 594 3HG1 VAL 21 3HG1 VAL 21 1.931 22.223 -0.545 595 1HG2 VAL 21 1HG2 VAL 21 0.065 19.904 -3.551 596 2HG2 VAL 21 2HG2 VAL 21 1.666 20.513 -3.971 597 3HG2 VAL 21 3HG2 VAL 21 0.330 21.638 -3.730 598 H ASP 22 H ASP 22 1.038 18.300 0.177 599 HA ASP 22 HA ASP 22 2.778 19.000 2.376 600 1HB ASP 22 2HB ASP 22 0.849 19.717 3.841 601 2HB ASP 22 1HB ASP 22 1.321 20.863 2.590 602 H ALA 23 H ALA 23 1.961 17.926 4.471 603 HA ALA 23 HA ALA 23 1.852 15.179 4.057 604 1HB ALA 23 1HB ALA 23 1.367 16.920 6.434 605 2HB ALA 23 2HB ALA 23 2.676 15.778 6.129 606 3HB ALA 23 3HB ALA 23 1.064 15.185 6.532 607 H ALA 24 H ALA 24 -0.756 17.468 4.724 608 HA ALA 24 HA ALA 24 -2.798 15.534 4.999 609 1HB ALA 24 1HB ALA 24 -3.627 17.504 5.753 610 2HB ALA 24 2HB ALA 24 -4.166 17.674 4.082 611 3HB ALA 24 3HB ALA 24 -2.680 18.462 4.613 612 H THR 25 H THR 25 -1.891 17.568 2.186 613 HA THR 25 HA THR 25 -3.639 16.433 0.355 614 HB THR 25 HB THR 25 -1.923 17.106 -1.359 615 HG1 THR 25 1HG THR 25 0.007 17.549 -0.775 616 1HG2 THR 25 1HG2 THR 25 -1.894 19.548 -0.758 617 2HG2 THR 25 2HG2 THR 25 -2.749 19.095 0.717 618 3HG2 THR 25 3HG2 THR 25 -3.480 18.784 -0.859 619 H ALA 26 H ALA 26 -0.388 15.468 1.345 620 HA ALA 26 HA ALA 26 -0.097 13.262 -0.368 621 1HB ALA 26 1HB ALA 26 1.842 12.920 0.724 622 2HB ALA 26 2HB ALA 26 1.071 12.950 2.309 623 3HB ALA 26 3HB ALA 26 1.485 14.463 1.501 624 H GLU 27 H GLU 27 -1.262 13.451 3.010 625 HA GLU 27 HA GLU 27 -1.901 10.788 3.366 626 1HB GLU 27 2HB GLU 27 -1.937 12.488 5.159 627 2HB GLU 27 1HB GLU 27 -3.404 13.158 4.462 628 1HG GLU 27 2HG GLU 27 -4.568 11.060 4.873 629 2HG GLU 27 1HG GLU 27 -3.099 10.380 5.569 630 H LYS 28 H LYS 28 -3.891 13.413 2.054 631 HA LYS 28 HA LYS 28 -6.222 11.884 1.643 632 1HB LYS 28 2HB LYS 28 -5.251 14.370 0.221 633 2HB LYS 28 1HB LYS 28 -6.873 13.705 0.080 634 1HG LYS 28 2HG LYS 28 -5.601 14.755 2.598 635 2HG LYS 28 1HG LYS 28 -6.829 15.571 1.629 636 1HD LYS 28 2HD LYS 28 -7.177 12.915 3.020 637 2HD LYS 28 1HD LYS 28 -7.785 14.465 3.608 638 1HE LYS 28 2HE LYS 28 -8.557 13.112 1.024 639 2HE LYS 28 1HE LYS 28 -9.543 13.200 2.482 640 1HZ LYS 28 1HZ LYS 28 -8.924 15.798 1.967 641 2HZ LYS 28 2HZ LYS 28 -10.384 15.037 1.581 642 3HZ LYS 28 3HZ LYS 28 -9.161 15.152 0.419 643 H VAL 29 H VAL 29 -3.532 12.745 -0.504 644 HA VAL 29 HA VAL 29 -4.435 11.528 -2.829 645 HB VAL 29 HB VAL 29 -1.591 11.732 -1.816 646 1HG1 VAL 29 1HG1 VAL 29 -1.199 11.691 -4.401 647 2HG1 VAL 29 2HG1 VAL 29 -2.737 10.831 -4.417 648 3HG1 VAL 29 3HG1 VAL 29 -1.374 10.184 -3.502 649 1HG2 VAL 29 1HG2 VAL 29 -2.463 13.492 -3.981 650 2HG2 VAL 29 2HG2 VAL 29 -1.546 13.859 -2.519 651 3HG2 VAL 29 3HG2 VAL 29 -3.306 13.766 -2.457 652 H VAL 30 H VAL 30 -2.695 10.168 -0.083 653 HA VAL 30 HA VAL 30 -2.362 7.568 -1.126 654 HB VAL 30 HB VAL 30 -2.733 8.324 1.776 655 1HG1 VAL 30 1HG1 VAL 30 -2.747 5.854 0.882 656 2HG1 VAL 30 2HG1 VAL 30 -1.862 6.279 2.348 657 3HG1 VAL 30 3HG1 VAL 30 -1.002 6.096 0.818 658 1HG2 VAL 30 1HG2 VAL 30 -0.847 9.394 0.158 659 2HG2 VAL 30 2HG2 VAL 30 -0.014 7.948 0.720 660 3HG2 VAL 30 3HG2 VAL 30 -0.629 9.119 1.886 661 H LYS 31 H LYS 31 -4.934 9.077 0.839 662 HA LYS 31 HA LYS 31 -6.572 6.938 1.332 663 1HB LYS 31 2HB LYS 31 -7.535 9.647 0.396 664 2HB LYS 31 1HB LYS 31 -8.482 8.463 1.277 665 1HG LYS 31 2HG LYS 31 -6.141 10.039 2.294 666 2HG LYS 31 1HG LYS 31 -7.827 10.192 2.774 667 1HD LYS 31 2HD LYS 31 -7.614 7.729 3.497 668 2HD LYS 31 1HD LYS 31 -5.875 8.011 3.392 669 1HE LYS 31 2HE LYS 31 -6.702 8.347 5.668 670 2HE LYS 31 1HE LYS 31 -6.040 9.828 4.984 671 1HZ LYS 31 1HZ LYS 31 -8.534 9.484 6.102 672 2HZ LYS 31 2HZ LYS 31 -8.815 9.632 4.442 673 3HZ LYS 31 3HZ LYS 31 -7.973 10.844 5.267 674 H GLN 32 H GLN 32 -6.565 8.973 -1.564 675 HA GLN 32 HA GLN 32 -8.498 7.539 -3.017 676 1HB GLN 32 2HB GLN 32 -7.682 9.799 -3.646 677 2HB GLN 32 1HB GLN 32 -6.138 9.093 -4.103 678 1HG GLN 32 2HG GLN 32 -7.442 9.480 -6.070 679 2HG GLN 32 1HG GLN 32 -7.283 7.747 -5.811 680 1HE2 GLN 32 1HE2 GLN 32 -9.463 9.093 -3.611 681 2HE2 GLN 32 2HE2 GLN 32 -10.921 8.705 -4.445 682 H PHE 33 H PHE 33 -5.030 7.154 -2.683 683 HA PHE 33 HA PHE 33 -4.503 5.293 -4.664 684 1HB PHE 33 2HB PHE 33 -2.831 6.440 -3.167 685 2HB PHE 33 1HB PHE 33 -3.278 5.313 -1.894 686 HD1 PHE 33 1HD PHE 33 -2.058 5.398 -5.393 687 HD2 PHE 33 2HD PHE 33 -2.115 3.323 -1.669 688 HE1 PHE 33 1HE PHE 33 -0.436 3.767 -6.265 689 HE2 PHE 33 2HE PHE 33 -0.485 1.701 -2.552 690 HZ PHE 33 HZ PHE 33 0.344 1.935 -4.862 691 H PHE 34 H PHE 34 -5.086 4.564 -1.247 692 HA PHE 34 HA PHE 34 -5.555 1.784 -1.679 693 1HB PHE 34 2HB PHE 34 -6.199 3.517 0.711 694 2HB PHE 34 1HB PHE 34 -6.249 1.751 0.692 695 HD1 PHE 34 1HD PHE 34 -3.932 0.999 -0.808 696 HD2 PHE 34 2HD PHE 34 -4.383 4.151 2.013 697 HE1 PHE 34 1HE PHE 34 -1.516 0.942 -0.374 698 HE2 PHE 34 2HE PHE 34 -1.961 4.098 2.457 699 HZ PHE 34 HZ PHE 34 -0.532 2.497 1.248 700 H ASN 35 H ASN 35 -7.653 4.571 -1.322 701 HA ASN 35 HA ASN 35 -10.140 3.388 -1.117 702 1HB ASN 35 2HB ASN 35 -9.731 5.822 -1.045 703 2HB ASN 35 1HB ASN 35 -9.374 5.810 -2.768 704 1HD2 ASN 35 1HD2 ASN 35 -11.517 6.926 -0.865 705 2HD2 ASN 35 2HD2 ASN 35 -12.989 6.612 -1.713 706 H ASP 36 H ASP 36 -8.125 3.903 -3.926 707 HA ASP 36 HA ASP 36 -10.074 2.625 -5.686 708 1HB ASP 36 2HB ASP 36 -7.456 3.994 -6.318 709 2HB ASP 36 1HB ASP 36 -8.535 3.289 -7.518 710 H ASN 37 H ASN 37 -7.104 1.849 -4.056 711 HA ASN 37 HA ASN 37 -6.479 -0.355 -5.820 712 1HB ASN 37 2HB ASN 37 -5.366 0.368 -3.097 713 2HB ASN 37 1HB ASN 37 -4.787 -0.966 -4.086 714 1HD2 ASN 37 1HD2 ASN 37 -3.629 1.666 -3.083 715 2HD2 ASN 37 2HD2 ASN 37 -2.920 2.354 -4.502 716 H GLY 38 H GLY 38 -7.776 0.095 -2.590 717 1HA GLY 38 2HA GLY 38 -8.254 -1.892 -1.191 718 2HA GLY 38 1HA GLY 38 -9.699 -1.192 -1.884 719 H VAL 39 H VAL 39 -11.048 -2.572 -2.735 720 HA VAL 39 HA VAL 39 -10.058 -5.242 -3.475 721 HB VAL 39 HB VAL 39 -12.866 -4.414 -2.832 722 1HG1 VAL 39 1HG1 VAL 39 -12.781 -7.010 -2.225 723 2HG1 VAL 39 2HG1 VAL 39 -11.544 -6.980 -3.479 724 3HG1 VAL 39 3HG1 VAL 39 -13.175 -6.423 -3.841 725 1HG2 VAL 39 1HG2 VAL 39 -10.955 -5.796 -0.961 726 2HG2 VAL 39 2HG2 VAL 39 -12.558 -5.151 -0.598 727 3HG2 VAL 39 3HG2 VAL 39 -11.224 -4.052 -0.955 728 H ASP 40 H ASP 40 -10.858 -2.533 -5.207 729 HA ASP 40 HA ASP 40 -12.043 -4.184 -7.330 730 1HB ASP 40 2HB ASP 40 -12.669 -1.295 -6.695 731 2HB ASP 40 1HB ASP 40 -13.284 -2.184 -8.087 732 H GLY 41 H GLY 41 -9.220 -3.015 -6.580 733 1HA GLY 41 2HA GLY 41 -8.633 -1.342 -8.854 734 2HA GLY 41 1HA GLY 41 -7.478 -1.949 -7.680 735 H GLU 42 H GLU 42 -6.675 -1.886 -10.210 736 HA GLU 42 HA GLU 42 -7.069 -4.555 -11.366 737 1HB GLU 42 2HB GLU 42 -5.808 -2.030 -12.439 738 2HB GLU 42 1HB GLU 42 -5.666 -3.575 -13.260 739 1HG GLU 42 2HG GLU 42 -7.415 -2.312 -14.280 740 2HG GLU 42 1HG GLU 42 -8.129 -3.675 -13.421 741 H TRP 43 H TRP 43 -5.778 -6.019 -10.396 742 HA TRP 43 HA TRP 43 -3.038 -5.250 -9.696 743 1HB TRP 43 2HB TRP 43 -4.653 -7.672 -8.890 744 2HB TRP 43 1HB TRP 43 -3.037 -7.282 -8.314 745 HD1 TRP 43 HD TRP 43 -5.866 -4.653 -8.522 746 HE1 TRP 43 1HE TRP 43 -6.398 -3.878 -6.125 747 HE3 TRP 43 3HE TRP 43 -2.896 -7.916 -5.935 748 HZ2 TRP 43 2HZ TRP 43 -5.654 -4.565 -3.485 749 HZ3 TRP 43 3HZ TRP 43 -2.860 -7.789 -3.485 750 HH2 TRP 43 HH TRP 43 -4.216 -6.146 -2.284 751 H THR 44 H THR 44 -1.371 -5.906 -10.894 752 HA THR 44 HA THR 44 -1.716 -8.261 -12.632 753 HB THR 44 HB THR 44 0.118 -7.285 -14.011 754 HG1 THR 44 1HG THR 44 -0.224 -5.047 -12.307 755 1HG2 THR 44 1HG2 THR 44 -1.135 -5.669 -15.153 756 2HG2 THR 44 2HG2 THR 44 -2.042 -5.229 -13.706 757 3HG2 THR 44 3HG2 THR 44 -2.317 -6.790 -14.479 758 H TYR 45 H TYR 45 -0.229 -9.920 -12.471 759 HA TYR 45 HA TYR 45 1.755 -9.639 -10.308 760 1HB TYR 45 2HB TYR 45 -0.063 -11.267 -9.897 761 2HB TYR 45 1HB TYR 45 0.425 -12.153 -11.337 762 HD1 TYR 45 1HD TYR 45 2.729 -10.643 -8.856 763 HD2 TYR 45 2HD TYR 45 0.977 -14.224 -10.342 764 HE1 TYR 45 1HE TYR 45 4.297 -11.965 -7.501 765 HE2 TYR 45 2HE TYR 45 2.540 -15.556 -8.991 766 HH TYR 45 HH TYR 45 3.961 -15.389 -7.112 767 H ASP 46 H ASP 46 3.840 -10.403 -10.566 768 HA ASP 46 HA ASP 46 4.612 -11.194 -13.295 769 1HB ASP 46 2HB ASP 46 5.307 -8.883 -12.847 770 2HB ASP 46 1HB ASP 46 6.152 -9.410 -11.394 771 H ASP 47 H ASP 47 4.469 -13.392 -12.593 772 HA ASP 47 HA ASP 47 5.578 -14.622 -10.434 773 1HB ASP 47 2HB ASP 47 5.664 -15.671 -13.271 774 2HB ASP 47 1HB ASP 47 5.790 -16.641 -11.808 775 H ALA 48 H ALA 48 7.290 -13.447 -13.271 776 HA ALA 48 HA ALA 48 9.704 -14.712 -13.083 777 1HB ALA 48 1HB ALA 48 10.658 -12.904 -14.293 778 2HB ALA 48 2HB ALA 48 9.435 -11.781 -13.702 779 3HB ALA 48 3HB ALA 48 8.986 -13.065 -14.825 780 H THR 49 H THR 49 8.550 -12.071 -11.061 781 HA THR 49 HA THR 49 10.969 -12.412 -9.413 782 HB THR 49 HB THR 49 10.871 -10.003 -8.867 783 HG1 THR 49 1HG THR 49 9.484 -8.670 -9.932 784 1HG2 THR 49 1HG2 THR 49 11.112 -9.340 -11.522 785 2HG2 THR 49 2HG2 THR 49 11.533 -11.052 -11.484 786 3HG2 THR 49 3HG2 THR 49 12.405 -9.907 -10.464 787 H LYS 50 H LYS 50 8.011 -13.329 -9.346 788 HA LYS 50 HA LYS 50 6.335 -13.594 -7.805 789 1HB LYS 50 2HB LYS 50 8.710 -13.381 -5.950 790 2HB LYS 50 1HB LYS 50 7.123 -13.981 -5.486 791 1HG LYS 50 2HG LYS 50 7.744 -15.505 -7.690 792 2HG LYS 50 1HG LYS 50 9.297 -15.322 -6.868 793 1HD LYS 50 2HD LYS 50 8.267 -16.096 -4.778 794 2HD LYS 50 1HD LYS 50 6.730 -16.296 -5.625 795 1HE LYS 50 2HE LYS 50 7.892 -18.429 -5.397 796 2HE LYS 50 1HE LYS 50 7.746 -17.961 -7.091 797 1HZ LYS 50 1HZ LYS 50 10.165 -16.976 -5.981 798 2HZ LYS 50 2HZ LYS 50 9.939 -18.003 -7.306 799 3HZ LYS 50 3HZ LYS 50 10.052 -18.648 -5.747 800 H THR 51 H THR 51 6.713 -10.922 -8.681 801 HA THR 51 HA THR 51 5.907 -9.435 -6.274 802 HB THR 51 HB THR 51 7.428 -8.412 -8.679 803 HG1 THR 51 1HG THR 51 8.754 -9.533 -7.261 804 1HG2 THR 51 1HG2 THR 51 5.788 -6.955 -6.937 805 2HG2 THR 51 2HG2 THR 51 6.947 -6.334 -8.112 806 3HG2 THR 51 3HG2 THR 51 7.449 -6.634 -6.449 807 H PHE 52 H PHE 52 4.102 -8.213 -6.377 808 HA PHE 52 HA PHE 52 2.515 -8.380 -8.853 809 1HB PHE 52 2HB PHE 52 1.518 -7.756 -6.064 810 2HB PHE 52 1HB PHE 52 0.546 -8.130 -7.480 811 HD1 PHE 52 1HD PHE 52 -0.386 -10.217 -7.543 812 HD2 PHE 52 2HD PHE 52 3.319 -9.693 -5.517 813 HE1 PHE 52 1HE PHE 52 -0.417 -12.586 -6.875 814 HE2 PHE 52 2HE PHE 52 3.300 -12.058 -4.856 815 HZ PHE 52 HZ PHE 52 1.431 -13.507 -5.534 816 H THR 53 H THR 53 1.554 -6.493 -9.696 817 HA THR 53 HA THR 53 2.489 -3.984 -8.471 818 HB THR 53 HB THR 53 2.178 -3.085 -10.899 819 HG1 THR 53 1HG THR 53 2.553 -5.852 -11.350 820 1HG2 THR 53 1HG2 THR 53 4.529 -4.244 -11.453 821 2HG2 THR 53 2HG2 THR 53 4.466 -4.487 -9.707 822 3HG2 THR 53 3HG2 THR 53 4.341 -2.857 -10.376 823 H VAL 54 H VAL 54 0.988 -2.737 -7.719 824 HA VAL 54 HA VAL 54 -1.784 -3.112 -8.611 825 HB VAL 54 HB VAL 54 -0.768 -1.715 -6.126 826 1HG1 VAL 54 1HG1 VAL 54 -3.451 -2.079 -7.322 827 2HG1 VAL 54 2HG1 VAL 54 -2.817 -0.764 -6.333 828 3HG1 VAL 54 3HG1 VAL 54 -3.318 -2.276 -5.574 829 1HG2 VAL 54 1HG2 VAL 54 -1.772 -3.720 -4.974 830 2HG2 VAL 54 2HG2 VAL 54 -0.292 -4.026 -5.882 831 3HG2 VAL 54 3HG2 VAL 54 -1.852 -4.490 -6.559 832 H THR 55 H THR 55 -2.272 -1.769 -10.227 833 HA THR 55 HA THR 55 -1.183 0.949 -10.197 834 HB THR 55 HB THR 55 -2.760 -0.366 -12.408 835 HG1 THR 55 1HG THR 55 -1.021 -1.545 -12.573 836 1HG2 THR 55 1HG2 THR 55 -0.985 2.054 -12.312 837 2HG2 THR 55 2HG2 THR 55 -2.694 1.974 -12.751 838 3HG2 THR 55 3HG2 THR 55 -1.476 1.262 -13.810 839 H GLU 56 H GLU 56 -2.368 2.450 -9.206 840 HA GLU 56 HA GLU 56 -4.838 2.257 -8.156 841 1HB GLU 56 2HB GLU 56 -4.957 4.647 -8.095 842 2HB GLU 56 1HB GLU 56 -3.266 4.189 -7.927 843 1HG GLU 56 2HG GLU 56 -3.234 5.987 -9.384 844 2HG GLU 56 1HG GLU 56 -3.097 4.582 -10.440 Start of MODEL 24 1 1H MET 1 1HT MET 1 6.611 -20.019 2.322 2 2H MET 1 2HT MET 1 5.215 -19.078 2.486 3 3H MET 1 3HT MET 1 6.651 -18.593 3.234 4 HA MET 1 HA MET 1 7.689 -18.373 1.018 5 1HB MET 1 2HB MET 1 4.826 -18.855 0.168 6 2HB MET 1 1HB MET 1 6.091 -18.266 -0.900 7 1HG MET 1 2HG MET 1 6.080 -20.920 0.518 8 2HG MET 1 1HG MET 1 5.705 -20.651 -1.185 9 1HE MET 1 1HE MET 1 7.836 -18.378 -1.895 10 2HE MET 1 2HE MET 1 7.506 -19.744 -2.961 11 3HE MET 1 3HE MET 1 9.169 -19.345 -2.528 12 H GLN 2 H GLN 2 8.087 -16.280 0.655 13 HA GLN 2 HA GLN 2 6.111 -14.323 1.615 14 1HB GLN 2 2HB GLN 2 8.263 -14.264 2.790 15 2HB GLN 2 1HB GLN 2 9.103 -14.041 1.262 16 1HG GLN 2 2HG GLN 2 7.979 -11.893 0.957 17 2HG GLN 2 1HG GLN 2 7.139 -12.118 2.490 18 1HE2 GLN 2 1HE2 GLN 2 7.991 -11.005 4.081 19 2HE2 GLN 2 2HE2 GLN 2 9.664 -10.625 4.287 20 H TYR 3 H TYR 3 5.538 -12.570 0.344 21 HA TYR 3 HA TYR 3 6.536 -12.597 -2.427 22 1HB TYR 3 2HB TYR 3 3.672 -12.211 -1.533 23 2HB TYR 3 1HB TYR 3 4.248 -12.015 -3.185 24 HD1 TYR 3 1HD TYR 3 4.124 -13.819 -4.631 25 HD2 TYR 3 2HD TYR 3 4.180 -14.545 -0.439 26 HE1 TYR 3 1HE TYR 3 3.761 -16.216 -5.047 27 HE2 TYR 3 2HE TYR 3 3.818 -16.943 -0.844 28 HH TYR 3 HH TYR 3 4.102 -18.579 -2.592 29 H LYS 4 H LYS 4 6.705 -10.599 -3.456 30 HA LYS 4 HA LYS 4 6.585 -8.303 -1.615 31 1HB LYS 4 2HB LYS 4 8.825 -8.857 -2.494 32 2HB LYS 4 1HB LYS 4 8.226 -8.634 -4.132 33 1HG LYS 4 2HG LYS 4 7.804 -6.292 -3.694 34 2HG LYS 4 1HG LYS 4 8.304 -6.496 -2.013 35 1HD LYS 4 2HD LYS 4 10.551 -7.139 -2.779 36 2HD LYS 4 1HD LYS 4 10.043 -6.882 -4.449 37 1HE LYS 4 2HE LYS 4 9.605 -4.532 -3.961 38 2HE LYS 4 1HE LYS 4 10.083 -4.784 -2.284 39 1HZ LYS 4 1HZ LYS 4 11.737 -4.583 -4.676 40 2HZ LYS 4 2HZ LYS 4 12.248 -5.674 -3.489 41 3HZ LYS 4 3HZ LYS 4 12.041 -4.041 -3.103 42 H VAL 5 H VAL 5 4.825 -7.118 -1.889 43 HA VAL 5 HA VAL 5 3.602 -6.932 -4.534 44 HB VAL 5 HB VAL 5 2.578 -5.924 -1.875 45 1HG1 VAL 5 1HG1 VAL 5 1.801 -5.171 -4.426 46 2HG1 VAL 5 2HG1 VAL 5 0.870 -4.968 -2.943 47 3HG1 VAL 5 3HG1 VAL 5 0.615 -6.388 -3.956 48 1HG2 VAL 5 1HG2 VAL 5 2.819 -8.530 -2.637 49 2HG2 VAL 5 2HG2 VAL 5 1.191 -8.138 -3.189 50 3HG2 VAL 5 3HG2 VAL 5 1.626 -7.914 -1.495 51 H ILE 6 H ILE 6 3.782 -5.232 -5.778 52 HA ILE 6 HA ILE 6 5.124 -2.833 -4.757 53 HB ILE 6 HB ILE 6 4.746 -3.852 -7.574 54 1HG1 ILE 6 2HG1 ILE 6 7.217 -3.508 -5.861 55 2HG1 ILE 6 1HG1 ILE 6 6.443 -5.039 -6.259 56 1HG2 ILE 6 1HG2 ILE 6 6.582 -1.830 -7.738 57 2HG2 ILE 6 2HG2 ILE 6 5.407 -1.184 -6.592 58 3HG2 ILE 6 3HG2 ILE 6 4.882 -1.710 -8.192 59 1HD1 ILE 6 1HD1 ILE 6 7.804 -3.156 -8.167 60 2HD1 ILE 6 2HD1 ILE 6 6.930 -4.612 -8.644 61 3HD1 ILE 6 3HD1 ILE 6 8.375 -4.739 -7.641 62 H LEU 7 H LEU 7 3.968 -1.066 -4.390 63 HA LEU 7 HA LEU 7 1.288 -0.853 -5.568 64 1HB LEU 7 2HB LEU 7 2.367 0.909 -3.388 65 2HB LEU 7 1HB LEU 7 0.695 0.526 -3.760 66 HG LEU 7 HG LEU 7 2.727 -1.257 -2.438 67 1HD1 LEU 7 1HD1 LEU 7 1.649 0.389 -1.001 68 2HD1 LEU 7 2HD1 LEU 7 1.133 -1.249 -0.601 69 3HD1 LEU 7 3HD1 LEU 7 0.065 -0.185 -1.519 70 1HD2 LEU 7 1HD2 LEU 7 1.427 -2.546 -4.069 71 2HD2 LEU 7 2HD2 LEU 7 -0.065 -1.964 -3.332 72 3HD2 LEU 7 3HD2 LEU 7 1.032 -2.995 -2.410 73 H ASN 8 H ASN 8 2.099 -0.198 -7.618 74 HA ASN 8 HA ASN 8 3.527 2.333 -7.774 75 1HB ASN 8 2HB ASN 8 4.138 0.313 -9.157 76 2HB ASN 8 1HB ASN 8 2.625 0.533 -10.027 77 1HD2 ASN 8 1HD2 ASN 8 5.718 0.893 -10.424 78 2HD2 ASN 8 2HD2 ASN 8 5.792 2.342 -11.366 79 H GLY 9 H GLY 9 2.329 4.124 -7.645 80 1HA GLY 9 2HA GLY 9 -0.211 4.180 -9.158 81 2HA GLY 9 1HA GLY 9 0.032 5.052 -7.652 82 H LYS 10 H LYS 10 -0.755 6.837 -9.101 83 HA LYS 10 HA LYS 10 1.213 7.862 -10.974 84 1HB LYS 10 2HB LYS 10 -1.420 9.040 -10.059 85 2HB LYS 10 1HB LYS 10 -0.422 9.649 -11.373 86 1HG LYS 10 2HG LYS 10 -0.785 7.630 -12.641 87 2HG LYS 10 1HG LYS 10 -1.686 6.919 -11.304 88 1HD LYS 10 2HD LYS 10 -3.254 7.715 -12.931 89 2HD LYS 10 1HD LYS 10 -3.342 8.766 -11.520 90 1HE LYS 10 2HE LYS 10 -1.705 9.398 -13.966 91 2HE LYS 10 1HE LYS 10 -3.370 9.930 -13.752 92 1HZ LYS 10 1HZ LYS 10 -2.131 10.693 -11.447 93 2HZ LYS 10 2HZ LYS 10 -2.495 11.698 -12.756 94 3HZ LYS 10 3HZ LYS 10 -0.962 10.997 -12.634 95 H THR 11 H THR 11 -0.432 9.086 -8.067 96 HA THR 11 HA THR 11 1.722 11.003 -7.639 97 HB THR 11 HB THR 11 0.134 11.779 -5.783 98 HG1 THR 11 1HG THR 11 -2.082 11.111 -6.262 99 1HG2 THR 11 1HG2 THR 11 0.317 12.691 -8.228 100 2HG2 THR 11 2HG2 THR 11 -0.989 13.210 -7.162 101 3HG2 THR 11 3HG2 THR 11 -1.286 11.974 -8.384 102 H LEU 12 H LEU 12 0.963 7.888 -6.783 103 HA LEU 12 HA LEU 12 2.658 8.075 -4.406 104 1HB LEU 12 2HB LEU 12 0.345 7.919 -3.649 105 2HB LEU 12 1HB LEU 12 0.109 6.476 -4.616 106 HG LEU 12 HG LEU 12 1.510 5.188 -3.210 107 1HD1 LEU 12 1HD1 LEU 12 2.377 6.739 -1.130 108 2HD1 LEU 12 2HD1 LEU 12 2.591 7.800 -2.519 109 3HD1 LEU 12 3HD1 LEU 12 3.357 6.218 -2.504 110 1HD2 LEU 12 1HD2 LEU 12 0.322 6.672 -0.998 111 2HD2 LEU 12 2HD2 LEU 12 0.053 5.013 -1.528 112 3HD2 LEU 12 3HD2 LEU 12 -0.807 6.337 -2.311 113 H LYS 13 H LYS 13 4.177 6.541 -4.226 114 HA LYS 13 HA LYS 13 4.015 4.118 -5.851 115 1HB LYS 13 2HB LYS 13 6.354 6.032 -5.990 116 2HB LYS 13 1HB LYS 13 6.279 4.451 -6.756 117 1HG LYS 13 2HG LYS 13 4.466 5.192 -8.179 118 2HG LYS 13 1HG LYS 13 4.453 6.763 -7.376 119 1HD LYS 13 2HD LYS 13 5.643 6.871 -9.506 120 2HD LYS 13 1HD LYS 13 6.731 7.183 -8.153 121 1HE LYS 13 2HE LYS 13 7.779 5.713 -9.788 122 2HE LYS 13 1HE LYS 13 7.525 4.873 -8.259 123 1HZ LYS 13 1HZ LYS 13 5.375 4.628 -10.190 124 2HZ LYS 13 2HZ LYS 13 6.066 3.458 -9.183 125 3HZ LYS 13 3HZ LYS 13 6.828 3.881 -10.631 126 H GLY 14 H GLY 14 5.189 2.379 -5.002 127 1HA GLY 14 2HA GLY 14 7.203 2.601 -3.054 128 2HA GLY 14 1HA GLY 14 5.663 2.416 -2.234 129 H GLU 15 H GLU 15 6.878 0.486 -1.439 130 HA GLU 15 HA GLU 15 6.104 -1.814 -3.053 131 1HB GLU 15 2HB GLU 15 8.894 -1.464 -1.940 132 2HB GLU 15 1HB GLU 15 8.275 -2.929 -2.688 133 1HG GLU 15 2HG GLU 15 7.977 -1.736 -4.793 134 2HG GLU 15 1HG GLU 15 8.586 -0.260 -4.046 135 H THR 16 H THR 16 5.824 -3.740 -1.841 136 HA THR 16 HA THR 16 6.148 -3.630 1.035 137 HB THR 16 HB THR 16 4.040 -2.672 1.095 138 HG1 THR 16 1HG THR 16 3.386 -5.396 0.928 139 1HG2 THR 16 1HG2 THR 16 2.141 -3.346 -0.323 140 2HG2 THR 16 2HG2 THR 16 3.236 -4.382 -1.236 141 3HG2 THR 16 3HG2 THR 16 3.478 -2.637 -1.229 142 H THR 17 H THR 17 5.364 -5.769 2.052 143 HA THR 17 HA THR 17 5.526 -8.003 0.170 144 HB THR 17 HB THR 17 7.260 -9.108 1.569 145 HG1 THR 17 1HG THR 17 7.355 -6.558 2.798 146 1HG2 THR 17 1HG2 THR 17 8.138 -8.157 -0.376 147 2HG2 THR 17 2HG2 THR 17 9.169 -7.568 0.928 148 3HG2 THR 17 3HG2 THR 17 7.938 -6.514 0.234 149 H THR 18 H THR 18 4.001 -9.412 0.600 150 HA THR 18 HA THR 18 2.982 -9.689 3.364 151 HB THR 18 HB THR 18 1.319 -8.978 1.657 152 HG1 THR 18 1HG THR 18 0.713 -10.315 3.444 153 1HG2 THR 18 1HG2 THR 18 1.458 -9.837 -0.382 154 2HG2 THR 18 2HG2 THR 18 0.669 -11.263 0.294 155 3HG2 THR 18 3HG2 THR 18 2.428 -11.205 0.166 156 H GLU 19 H GLU 19 2.723 -11.787 4.229 157 HA GLU 19 HA GLU 19 4.282 -13.860 2.833 158 1HB GLU 19 2HB GLU 19 5.143 -13.103 5.043 159 2HB GLU 19 1HB GLU 19 3.648 -13.655 5.783 160 1HG GLU 19 2HG GLU 19 5.401 -15.511 4.217 161 2HG GLU 19 1HG GLU 19 5.696 -15.171 5.920 162 H ALA 20 H ALA 20 3.134 -15.450 1.930 163 HA ALA 20 HA ALA 20 0.833 -16.528 3.344 164 1HB ALA 20 1HB ALA 20 0.384 -14.613 1.460 165 2HB ALA 20 2HB ALA 20 -0.776 -15.848 1.951 166 3HB ALA 20 3HB ALA 20 0.224 -16.095 0.518 167 H VAL 21 H VAL 21 0.192 -18.572 2.665 168 HA VAL 21 HA VAL 21 2.151 -20.394 2.038 169 HB VAL 21 HB VAL 21 -0.755 -20.773 1.320 170 1HG1 VAL 21 1HG1 VAL 21 1.208 -22.822 2.312 171 2HG1 VAL 21 2HG1 VAL 21 0.964 -22.483 0.599 172 3HG1 VAL 21 3HG1 VAL 21 -0.374 -23.086 1.578 173 1HG2 VAL 21 1HG2 VAL 21 0.619 -20.763 3.976 174 2HG2 VAL 21 2HG2 VAL 21 -0.780 -21.802 3.701 175 3HG2 VAL 21 3HG2 VAL 21 -0.930 -20.054 3.510 176 H ASP 22 H ASP 22 0.226 -18.482 -0.148 177 HA ASP 22 HA ASP 22 1.921 -19.305 -2.348 178 1HB ASP 22 2HB ASP 22 -0.078 -19.774 -3.834 179 2HB ASP 22 1HB ASP 22 0.291 -21.002 -2.628 180 H ALA 23 H ALA 23 1.275 -18.098 -4.416 181 HA ALA 23 HA ALA 23 1.417 -15.364 -3.930 182 1HB ALA 23 1HB ALA 23 1.629 -17.011 -6.151 183 2HB ALA 23 2HB ALA 23 1.866 -15.264 -6.108 184 3HB ALA 23 3HB ALA 23 0.290 -15.930 -6.534 185 H ALA 24 H ALA 24 -1.377 -17.371 -4.728 186 HA ALA 24 HA ALA 24 -3.226 -15.255 -4.996 187 1HB ALA 24 1HB ALA 24 -4.797 -17.283 -4.146 188 2HB ALA 24 2HB ALA 24 -3.377 -18.185 -4.672 189 3HB ALA 24 3HB ALA 24 -4.216 -17.125 -5.803 190 H THR 25 H THR 25 -2.596 -17.430 -2.220 191 HA THR 25 HA THR 25 -4.265 -16.207 -0.392 192 HB THR 25 HB THR 25 -2.619 -17.050 1.334 193 HG1 THR 25 1HG THR 25 -1.118 -17.387 -0.957 194 1HG2 THR 25 1HG2 THR 25 -3.558 -18.944 -0.792 195 2HG2 THR 25 2HG2 THR 25 -4.352 -18.545 0.731 196 3HG2 THR 25 3HG2 THR 25 -2.843 -19.459 0.735 197 H ALA 26 H ALA 26 -0.911 -15.437 -1.256 198 HA ALA 26 HA ALA 26 -0.564 -13.303 0.546 199 1HB ALA 26 1HB ALA 26 0.744 -13.114 -2.105 200 2HB ALA 26 2HB ALA 26 1.084 -14.562 -1.157 201 3HB ALA 26 3HB ALA 26 1.434 -12.969 -0.488 202 H GLU 27 H GLU 27 -1.530 -13.335 -2.892 203 HA GLU 27 HA GLU 27 -1.996 -10.646 -3.247 204 1HB GLU 27 2HB GLU 27 -2.035 -12.263 -5.070 205 2HB GLU 27 1HB GLU 27 -3.496 -12.990 -4.416 206 1HG GLU 27 2HG GLU 27 -4.718 -10.921 -4.825 207 2HG GLU 27 1HG GLU 27 -3.252 -10.181 -5.469 208 H LYS 28 H LYS 28 -4.267 -13.137 -2.102 209 HA LYS 28 HA LYS 28 -6.499 -11.484 -1.791 210 1HB LYS 28 2HB LYS 28 -5.717 -13.971 -0.262 211 2HB LYS 28 1HB LYS 28 -7.306 -13.221 -0.199 212 1HG LYS 28 2HG LYS 28 -5.990 -14.425 -2.625 213 2HG LYS 28 1HG LYS 28 -7.334 -15.104 -1.705 214 1HD LYS 28 2HD LYS 28 -8.704 -13.154 -2.293 215 2HD LYS 28 1HD LYS 28 -7.361 -12.506 -3.238 216 1HE LYS 28 2HE LYS 28 -8.793 -15.114 -3.744 217 2HE LYS 28 1HE LYS 28 -8.997 -13.627 -4.669 218 1HZ LYS 28 1HZ LYS 28 -6.466 -15.165 -4.430 219 2HZ LYS 28 2HZ LYS 28 -6.688 -13.758 -5.343 220 3HZ LYS 28 3HZ LYS 28 -7.500 -15.178 -5.771 221 H VAL 29 H VAL 29 -3.852 -12.237 0.413 222 HA VAL 29 HA VAL 29 -4.883 -10.954 2.691 223 HB VAL 29 HB VAL 29 -1.980 -11.269 1.888 224 1HG1 VAL 29 1HG1 VAL 29 -1.593 -11.156 4.358 225 2HG1 VAL 29 2HG1 VAL 29 -3.270 -10.638 4.535 226 3HG1 VAL 29 3HG1 VAL 29 -2.132 -9.644 3.626 227 1HG2 VAL 29 1HG2 VAL 29 -3.004 -13.059 3.938 228 2HG2 VAL 29 2HG2 VAL 29 -2.070 -13.419 2.487 229 3HG2 VAL 29 3HG2 VAL 29 -3.824 -13.262 2.391 230 H VAL 30 H VAL 30 -3.160 -9.775 -0.115 231 HA VAL 30 HA VAL 30 -2.631 -7.166 0.880 232 HB VAL 30 HB VAL 30 -3.044 -7.872 -2.022 233 1HG1 VAL 30 1HG1 VAL 30 -1.024 -5.966 -0.908 234 2HG1 VAL 30 2HG1 VAL 30 -2.701 -5.468 -1.127 235 3HG1 VAL 30 3HG1 VAL 30 -1.753 -6.006 -2.513 236 1HG2 VAL 30 1HG2 VAL 30 -1.487 -9.471 -1.642 237 2HG2 VAL 30 2HG2 VAL 30 -0.895 -8.698 -0.171 238 3HG2 VAL 30 3HG2 VAL 30 -0.386 -8.096 -1.748 239 H LYS 31 H LYS 31 -5.222 -8.509 -1.216 240 HA LYS 31 HA LYS 31 -6.726 -6.255 -1.676 241 1HB LYS 31 2HB LYS 31 -7.542 -9.104 -1.192 242 2HB LYS 31 1HB LYS 31 -8.761 -7.861 -1.429 243 1HG LYS 31 2HG LYS 31 -8.296 -9.034 -3.495 244 2HG LYS 31 1HG LYS 31 -7.812 -7.341 -3.614 245 1HD LYS 31 2HD LYS 31 -5.490 -7.987 -3.181 246 2HD LYS 31 1HD LYS 31 -5.991 -9.676 -3.079 247 1HE LYS 31 2HE LYS 31 -5.018 -8.895 -5.302 248 2HE LYS 31 1HE LYS 31 -6.547 -9.770 -5.355 249 1HZ LYS 31 1HZ LYS 31 -7.673 -7.942 -6.015 250 2HZ LYS 31 2HZ LYS 31 -6.164 -7.502 -6.633 251 3HZ LYS 31 3HZ LYS 31 -6.689 -6.866 -5.158 252 H GLN 32 H GLN 32 -6.757 -8.352 1.146 253 HA GLN 32 HA GLN 32 -8.744 -6.892 2.554 254 1HB GLN 32 2HB GLN 32 -8.258 -9.217 3.052 255 2HB GLN 32 1HB GLN 32 -6.626 -8.794 3.552 256 1HG GLN 32 2HG GLN 32 -7.458 -7.577 5.439 257 2HG GLN 32 1HG GLN 32 -9.120 -7.787 4.895 258 1HE2 GLN 32 1HE2 GLN 32 -7.694 -10.609 4.130 259 2HE2 GLN 32 2HE2 GLN 32 -8.008 -11.506 5.570 260 H PHE 33 H PHE 33 -5.230 -6.847 2.468 261 HA PHE 33 HA PHE 33 -4.640 -5.148 4.570 262 1HB PHE 33 2HB PHE 33 -2.987 -6.312 3.080 263 2HB PHE 33 1HB PHE 33 -3.335 -5.123 1.834 264 HD1 PHE 33 1HD PHE 33 -2.188 -5.367 5.362 265 HD2 PHE 33 2HD PHE 33 -2.032 -3.219 1.684 266 HE1 PHE 33 1HE PHE 33 -0.451 -3.895 6.292 267 HE2 PHE 33 2HE PHE 33 -0.293 -1.748 2.615 268 HZ PHE 33 HZ PHE 33 0.498 -2.090 4.925 269 H PHE 34 H PHE 34 -5.440 -4.350 1.236 270 HA PHE 34 HA PHE 34 -5.585 -1.512 1.744 271 1HB PHE 34 2HB PHE 34 -6.379 -3.125 -0.684 272 2HB PHE 34 1HB PHE 34 -6.343 -1.361 -0.603 273 HD1 PHE 34 1HD PHE 34 -3.939 -0.840 0.916 274 HD2 PHE 34 2HD PHE 34 -4.644 -3.723 -2.130 275 HE1 PHE 34 1HE PHE 34 -1.540 -0.868 0.398 276 HE2 PHE 34 2HE PHE 34 -2.243 -3.752 -2.659 277 HZ PHE 34 HZ PHE 34 -0.694 -2.326 -1.381 278 H ASN 35 H ASN 35 -7.827 -4.185 1.421 279 HA ASN 35 HA ASN 35 -10.260 -2.882 1.287 280 1HB ASN 35 2HB ASN 35 -10.003 -5.348 1.249 281 2HB ASN 35 1HB ASN 35 -9.585 -5.321 2.961 282 1HD2 ASN 35 1HD2 ASN 35 -11.974 -5.977 0.904 283 2HD2 ASN 35 2HD2 ASN 35 -13.346 -5.667 1.905 284 H ASP 36 H ASP 36 -8.190 -3.515 4.032 285 HA ASP 36 HA ASP 36 -9.980 -2.091 5.840 286 1HB ASP 36 2HB ASP 36 -7.440 -3.627 6.408 287 2HB ASP 36 1HB ASP 36 -8.474 -2.893 7.630 288 H ASN 37 H ASN 37 -6.973 -1.531 4.150 289 HA ASN 37 HA ASN 37 -6.191 0.632 5.903 290 1HB ASN 37 2HB ASN 37 -5.175 -0.188 3.170 291 2HB ASN 37 1HB ASN 37 -4.529 1.167 4.087 292 1HD2 ASN 37 1HD2 ASN 37 -3.393 -1.457 3.156 293 2HD2 ASN 37 2HD2 ASN 37 -2.700 -2.147 4.581 294 H GLY 38 H GLY 38 -7.571 0.262 2.689 295 1HA GLY 38 2HA GLY 38 -8.006 2.271 1.313 296 2HA GLY 38 1HA GLY 38 -9.456 1.637 2.054 297 H VAL 39 H VAL 39 -10.715 3.121 2.811 298 HA VAL 39 HA VAL 39 -9.561 5.691 3.668 299 HB VAL 39 HB VAL 39 -12.356 5.071 2.766 300 1HG1 VAL 39 1HG1 VAL 39 -12.711 7.027 3.857 301 2HG1 VAL 39 2HG1 VAL 39 -12.083 7.712 2.357 302 3HG1 VAL 39 3HG1 VAL 39 -11.020 7.517 3.750 303 1HG2 VAL 39 1HG2 VAL 39 -9.918 5.530 1.268 304 2HG2 VAL 39 2HG2 VAL 39 -11.173 6.700 0.863 305 3HG2 VAL 39 3HG2 VAL 39 -11.497 4.973 0.714 306 H ASP 40 H ASP 40 -10.647 2.994 5.226 307 HA ASP 40 HA ASP 40 -11.831 4.629 7.361 308 1HB ASP 40 2HB ASP 40 -12.611 1.815 6.575 309 2HB ASP 40 1HB ASP 40 -13.242 2.693 7.964 310 H GLY 41 H GLY 41 -9.070 3.253 6.670 311 1HA GLY 41 2HA GLY 41 -8.721 1.477 8.919 312 2HA GLY 41 1HA GLY 41 -7.475 1.996 7.796 313 H GLU 42 H GLU 42 -6.678 1.830 10.289 314 HA GLU 42 HA GLU 42 -6.943 4.445 11.578 315 1HB GLU 42 2HB GLU 42 -5.545 1.932 12.516 316 2HB GLU 42 1HB GLU 42 -5.740 3.404 13.457 317 1HG GLU 42 2HG GLU 42 -7.964 1.632 12.471 318 2HG GLU 42 1HG GLU 42 -7.343 1.702 14.120 319 H TRP 43 H TRP 43 -5.660 5.908 10.579 320 HA TRP 43 HA TRP 43 -2.927 5.134 9.865 321 1HB TRP 43 2HB TRP 43 -4.504 7.603 9.139 322 2HB TRP 43 1HB TRP 43 -2.904 7.191 8.536 323 HD1 TRP 43 HD TRP 43 -5.924 4.764 8.706 324 HE1 TRP 43 1HE TRP 43 -6.449 4.008 6.301 325 HE3 TRP 43 3HE TRP 43 -2.587 7.691 6.192 326 HZ2 TRP 43 2HZ TRP 43 -5.566 4.575 3.691 327 HZ3 TRP 43 3HZ TRP 43 -2.487 7.531 3.746 328 HH2 TRP 43 HH TRP 43 -3.953 6.003 2.517 329 H THR 44 H THR 44 -1.281 5.698 11.117 330 HA THR 44 HA THR 44 -1.604 7.970 12.958 331 HB THR 44 HB THR 44 0.351 6.979 14.165 332 HG1 THR 44 1HG THR 44 1.440 5.569 13.082 333 1HG2 THR 44 1HG2 THR 44 -0.808 5.344 15.324 334 2HG2 THR 44 2HG2 THR 44 -1.708 4.830 13.899 335 3HG2 THR 44 3HG2 THR 44 -2.087 6.368 14.674 336 H TYR 45 H TYR 45 -0.300 9.743 12.720 337 HA TYR 45 HA TYR 45 1.635 9.627 10.502 338 1HB TYR 45 2HB TYR 45 -0.278 11.130 10.141 339 2HB TYR 45 1HB TYR 45 0.148 12.016 11.602 340 HD1 TYR 45 1HD TYR 45 2.377 10.743 8.900 341 HD2 TYR 45 2HD TYR 45 0.719 14.145 10.844 342 HE1 TYR 45 1HE TYR 45 3.844 12.206 7.576 343 HE2 TYR 45 2HE TYR 45 2.182 15.618 9.525 344 HH TYR 45 HH TYR 45 4.236 15.543 8.275 345 H ASP 46 H ASP 46 3.658 10.525 10.687 346 HA ASP 46 HA ASP 46 4.479 11.383 13.382 347 1HB ASP 46 2HB ASP 46 5.316 9.115 12.921 348 2HB ASP 46 1HB ASP 46 6.071 9.691 11.438 349 H ASP 47 H ASP 47 4.125 13.555 12.624 350 HA ASP 47 HA ASP 47 5.116 14.767 10.381 351 1HB ASP 47 2HB ASP 47 5.004 15.936 13.167 352 2HB ASP 47 1HB ASP 47 5.158 16.868 11.681 353 H ALA 48 H ALA 48 6.879 13.940 13.309 354 HA ALA 48 HA ALA 48 9.193 15.385 13.020 355 1HB ALA 48 1HB ALA 48 9.675 12.608 13.814 356 2HB ALA 48 2HB ALA 48 8.359 13.399 14.685 357 3HB ALA 48 3HB ALA 48 9.972 14.111 14.688 358 H THR 49 H THR 49 8.161 12.619 11.147 359 HA THR 49 HA THR 49 10.617 12.878 9.543 360 HB THR 49 HB THR 49 10.537 10.446 9.117 361 HG1 THR 49 1HG THR 49 8.371 10.585 10.923 362 1HG2 THR 49 1HG2 THR 49 10.555 10.174 11.963 363 2HG2 THR 49 2HG2 THR 49 11.377 11.661 11.492 364 3HG2 THR 49 3HG2 THR 49 11.898 10.115 10.824 365 H LYS 50 H LYS 50 7.562 13.650 9.431 366 HA LYS 50 HA LYS 50 5.924 13.832 7.839 367 1HB LYS 50 2HB LYS 50 8.351 13.730 6.048 368 2HB LYS 50 1HB LYS 50 6.747 14.245 5.540 369 1HG LYS 50 2HG LYS 50 7.229 15.805 7.752 370 2HG LYS 50 1HG LYS 50 8.811 15.702 6.975 371 1HD LYS 50 2HD LYS 50 6.236 16.523 5.642 372 2HD LYS 50 1HD LYS 50 7.521 17.619 6.157 373 1HE LYS 50 2HE LYS 50 7.769 15.435 4.090 374 2HE LYS 50 1HE LYS 50 7.657 17.163 3.761 375 1HZ LYS 50 1HZ LYS 50 9.726 17.109 5.429 376 2HZ LYS 50 2HZ LYS 50 9.885 16.999 3.749 377 3HZ LYS 50 3HZ LYS 50 9.914 15.597 4.695 378 H THR 51 H THR 51 6.503 11.156 8.730 379 HA THR 51 HA THR 51 5.790 9.643 6.308 380 HB THR 51 HB THR 51 7.328 8.708 8.739 381 HG1 THR 51 1HG THR 51 9.024 8.518 7.284 382 1HG2 THR 51 1HG2 THR 51 5.758 7.133 7.080 383 2HG2 THR 51 2HG2 THR 51 7.037 6.593 8.167 384 3HG2 THR 51 3HG2 THR 51 7.402 6.931 6.476 385 H PHE 52 H PHE 52 4.005 8.390 6.364 386 HA PHE 52 HA PHE 52 2.407 8.458 8.833 387 1HB PHE 52 2HB PHE 52 1.469 7.880 6.014 388 2HB PHE 52 1HB PHE 52 0.456 8.126 7.431 389 HD1 PHE 52 1HD PHE 52 -0.530 10.177 7.686 390 HD2 PHE 52 2HD PHE 52 3.116 9.907 5.508 391 HE1 PHE 52 1HE PHE 52 -0.676 12.575 7.150 392 HE2 PHE 52 2HE PHE 52 2.981 12.305 4.975 393 HZ PHE 52 HZ PHE 52 1.082 13.641 5.796 394 H THR 53 H THR 53 1.517 6.547 9.656 395 HA THR 53 HA THR 53 2.468 4.074 8.381 396 HB THR 53 HB THR 53 2.347 3.156 10.816 397 HG1 THR 53 1HG THR 53 2.868 5.883 11.353 398 1HG2 THR 53 1HG2 THR 53 4.478 3.000 10.143 399 2HG2 THR 53 2HG2 THR 53 4.692 4.378 11.227 400 3HG2 THR 53 3HG2 THR 53 4.509 4.642 9.493 401 H VAL 54 H VAL 54 1.011 2.626 7.892 402 HA VAL 54 HA VAL 54 -1.730 2.980 8.913 403 HB VAL 54 HB VAL 54 -0.850 1.527 6.405 404 1HG1 VAL 54 1HG1 VAL 54 -3.183 1.397 5.856 405 2HG1 VAL 54 2HG1 VAL 54 -3.617 2.342 7.279 406 3HG1 VAL 54 3HG1 VAL 54 -2.950 0.720 7.467 407 1HG2 VAL 54 1HG2 VAL 54 -2.459 3.968 6.155 408 2HG2 VAL 54 2HG2 VAL 54 -1.082 3.411 5.204 409 3HG2 VAL 54 3HG2 VAL 54 -0.816 4.223 6.746 410 H THR 55 H THR 55 -2.089 1.635 10.573 411 HA THR 55 HA THR 55 -0.791 -0.990 10.533 412 HB THR 55 HB THR 55 -2.262 0.251 12.850 413 HG1 THR 55 1HG THR 55 -0.345 1.102 13.497 414 1HG2 THR 55 1HG2 THR 55 -0.657 -1.192 14.138 415 2HG2 THR 55 2HG2 THR 55 -0.268 -1.980 12.608 416 3HG2 THR 55 3HG2 THR 55 -1.912 -2.050 13.245 417 H GLU 56 H GLU 56 -1.889 -2.644 9.790 418 HA GLU 56 HA GLU 56 -4.609 -2.655 9.186 419 1HB GLU 56 2HB GLU 56 -3.019 -4.194 8.157 420 2HB GLU 56 1HB GLU 56 -2.758 -4.989 9.703 421 1HG GLU 56 2HG GLU 56 -4.221 -6.295 8.274 422 2HG GLU 56 1HG GLU 56 -5.068 -5.751 9.722 423 1H MET 1 1HT MET 1 7.128 19.903 -2.136 424 2H MET 1 2HT MET 1 5.712 18.997 -2.319 425 3H MET 1 3HT MET 1 7.148 18.477 -3.047 426 HA MET 1 HA MET 1 8.147 18.235 -0.817 427 1HB MET 1 2HB MET 1 5.284 18.784 -0.007 428 2HB MET 1 1HB MET 1 6.520 18.165 1.079 429 1HG MET 1 2HG MET 1 6.593 20.818 -0.338 430 2HG MET 1 1HG MET 1 6.188 20.560 1.357 431 1HE MET 1 1HE MET 1 8.253 18.236 2.098 432 2HE MET 1 2HE MET 1 7.941 19.609 3.160 433 3HE MET 1 3HE MET 1 9.600 19.170 2.751 434 H GLN 2 H GLN 2 8.488 16.131 -0.448 435 HA GLN 2 HA GLN 2 6.481 14.223 -1.436 436 1HB GLN 2 2HB GLN 2 8.646 14.111 -2.581 437 2HB GLN 2 1HB GLN 2 9.460 13.867 -1.042 438 1HG GLN 2 2HG GLN 2 8.279 11.748 -0.753 439 2HG GLN 2 1HG GLN 2 7.466 11.992 -2.298 440 1HE2 GLN 2 1HE2 GLN 2 8.313 10.859 -3.877 441 2HE2 GLN 2 2HE2 GLN 2 9.978 10.438 -4.059 442 H TYR 3 H TYR 3 5.846 12.483 -0.173 443 HA TYR 3 HA TYR 3 6.806 12.488 2.610 444 1HB TYR 3 2HB TYR 3 3.945 12.171 1.676 445 2HB TYR 3 1HB TYR 3 4.494 11.961 3.336 446 HD1 TYR 3 1HD TYR 3 4.393 13.768 4.781 447 HD2 TYR 3 2HD TYR 3 4.527 14.492 0.591 448 HE1 TYR 3 1HE TYR 3 4.082 16.172 5.191 449 HE2 TYR 3 2HE TYR 3 4.217 16.898 0.989 450 HH TYR 3 HH TYR 3 4.515 18.528 2.742 451 H LYS 4 H LYS 4 6.911 10.486 3.642 452 HA LYS 4 HA LYS 4 6.761 8.193 1.799 453 1HB LYS 4 2HB LYS 4 9.001 8.693 2.709 454 2HB LYS 4 1HB LYS 4 8.375 8.484 4.339 455 1HG LYS 4 2HG LYS 4 7.903 6.154 3.894 456 2HG LYS 4 1HG LYS 4 8.430 6.344 2.220 457 1HD LYS 4 2HD LYS 4 10.681 6.934 3.019 458 2HD LYS 4 1HD LYS 4 10.144 6.690 4.682 459 1HE LYS 4 2HE LYS 4 9.656 4.350 4.187 460 2HE LYS 4 1HE LYS 4 10.164 4.591 2.516 461 1HZ LYS 4 1HZ LYS 4 11.778 4.350 4.932 462 2HZ LYS 4 2HZ LYS 4 12.332 5.428 3.753 463 3HZ LYS 4 3HZ LYS 4 12.091 3.800 3.363 464 H VAL 5 H VAL 5 4.969 7.051 2.049 465 HA VAL 5 HA VAL 5 3.705 6.895 4.675 466 HB VAL 5 HB VAL 5 2.694 5.913 2.001 467 1HG1 VAL 5 1HG1 VAL 5 1.862 5.179 4.541 468 2HG1 VAL 5 2HG1 VAL 5 0.949 4.998 3.045 469 3HG1 VAL 5 3HG1 VAL 5 0.714 6.425 4.054 470 1HG2 VAL 5 1HG2 VAL 5 2.989 8.511 2.768 471 2HG2 VAL 5 2HG2 VAL 5 1.343 8.160 3.296 472 3HG2 VAL 5 3HG2 VAL 5 1.796 7.925 1.609 473 H ILE 6 H ILE 6 3.826 5.192 5.922 474 HA ILE 6 HA ILE 6 5.125 2.762 4.918 475 HB ILE 6 HB ILE 6 4.731 3.789 7.730 476 1HG1 ILE 6 2HG1 ILE 6 7.216 3.385 6.053 477 2HG1 ILE 6 1HG1 ILE 6 6.474 4.934 6.440 478 1HG2 ILE 6 1HG2 ILE 6 6.516 1.723 7.920 479 2HG2 ILE 6 2HG2 ILE 6 5.340 1.106 6.758 480 3HG2 ILE 6 3HG2 ILE 6 4.806 1.645 8.350 481 1HD1 ILE 6 1HD1 ILE 6 7.763 3.020 8.365 482 2HD1 ILE 6 2HD1 ILE 6 6.918 4.496 8.830 483 3HD1 ILE 6 3HD1 ILE 6 8.379 4.588 7.847 484 H LEU 7 H LEU 7 3.930 1.024 4.536 485 HA LEU 7 HA LEU 7 1.230 0.875 5.677 486 1HB LEU 7 2HB LEU 7 2.295 -0.912 3.509 487 2HB LEU 7 1HB LEU 7 0.630 -0.489 3.859 488 HG LEU 7 HG LEU 7 2.723 1.243 2.566 489 1HD1 LEU 7 1HD1 LEU 7 1.625 -0.377 1.113 490 2HD1 LEU 7 2HD1 LEU 7 1.154 1.272 0.706 491 3HD1 LEU 7 3HD1 LEU 7 0.048 0.236 1.609 492 1HD2 LEU 7 1HD2 LEU 7 1.429 2.564 4.178 493 2HD2 LEU 7 2HD2 LEU 7 -0.065 2.020 3.420 494 3HD2 LEU 7 3HD2 LEU 7 1.069 3.022 2.513 495 H ASN 8 H ASN 8 1.998 0.202 7.736 496 HA ASN 8 HA ASN 8 3.360 -2.364 7.912 497 1HB ASN 8 2HB ASN 8 4.000 -0.359 9.304 498 2HB ASN 8 1HB ASN 8 2.469 -0.544 10.153 499 1HD2 ASN 8 1HD2 ASN 8 5.547 -0.978 10.593 500 2HD2 ASN 8 2HD2 ASN 8 5.572 -2.427 11.536 501 H GLY 9 H GLY 9 2.119 -4.126 7.766 502 1HA GLY 9 2HA GLY 9 -0.440 -4.119 9.244 503 2HA GLY 9 1HA GLY 9 -0.200 -4.997 7.741 504 H LYS 10 H LYS 10 -1.049 -6.764 9.178 505 HA LYS 10 HA LYS 10 0.867 -7.835 11.079 506 1HB LYS 10 2HB LYS 10 -1.781 -8.948 10.126 507 2HB LYS 10 1HB LYS 10 -0.817 -9.582 11.453 508 1HG LYS 10 2HG LYS 10 -1.149 -7.554 12.718 509 2HG LYS 10 1HG LYS 10 -2.013 -6.821 11.368 510 1HD LYS 10 2HD LYS 10 -3.622 -7.579 12.973 511 2HD LYS 10 1HD LYS 10 -3.716 -8.628 11.559 512 1HE LYS 10 2HE LYS 10 -2.129 -9.298 14.029 513 2HE LYS 10 1HE LYS 10 -3.804 -9.790 13.790 514 1HZ LYS 10 1HZ LYS 10 -2.551 -10.584 11.503 515 2HZ LYS 10 2HZ LYS 10 -2.960 -11.580 12.807 516 3HZ LYS 10 3HZ LYS 10 -1.409 -10.915 12.707 517 H THR 11 H THR 11 -0.766 -9.018 8.146 518 HA THR 11 HA THR 11 1.346 -10.989 7.750 519 HB THR 11 HB THR 11 -0.234 -11.725 5.872 520 HG1 THR 11 1HG THR 11 -2.440 -11.003 6.319 521 1HG2 THR 11 1HG2 THR 11 -0.106 -12.640 8.319 522 2HG2 THR 11 2HG2 THR 11 -1.410 -13.128 7.235 523 3HG2 THR 11 3HG2 THR 11 -1.695 -11.885 8.453 524 H LEU 12 H LEU 12 0.675 -7.855 6.884 525 HA LEU 12 HA LEU 12 2.399 -8.083 4.530 526 1HB LEU 12 2HB LEU 12 0.100 -7.871 3.741 527 2HB LEU 12 1HB LEU 12 -0.113 -6.424 4.707 528 HG LEU 12 HG LEU 12 1.337 -5.171 3.320 529 1HD1 LEU 12 1HD1 LEU 12 2.198 -6.742 1.253 530 2HD1 LEU 12 2HD1 LEU 12 2.364 -7.808 2.643 531 3HD1 LEU 12 3HD1 LEU 12 3.170 -6.246 2.639 532 1HD2 LEU 12 1HD2 LEU 12 0.146 -6.625 1.091 533 2HD2 LEU 12 2HD2 LEU 12 -0.090 -4.958 1.616 534 3HD2 LEU 12 3HD2 LEU 12 -0.992 -6.264 2.388 535 H LYS 13 H LYS 13 3.958 -6.587 4.373 536 HA LYS 13 HA LYS 13 3.830 -4.161 5.995 537 1HB LYS 13 2HB LYS 13 6.120 -6.131 6.168 538 2HB LYS 13 1HB LYS 13 6.073 -4.548 6.931 539 1HG LYS 13 2HG LYS 13 4.222 -5.245 8.330 540 2HG LYS 13 1HG LYS 13 4.182 -6.816 7.526 541 1HD LYS 13 2HD LYS 13 5.340 -6.953 9.673 542 2HD LYS 13 1HD LYS 13 6.440 -7.290 8.334 543 1HE LYS 13 2HE LYS 13 7.499 -5.846 9.984 544 2HE LYS 13 1HE LYS 13 7.287 -5.000 8.452 545 1HZ LYS 13 1HZ LYS 13 5.118 -4.703 10.354 546 2HZ LYS 13 2HZ LYS 13 5.850 -3.550 9.356 547 3HZ LYS 13 3HZ LYS 13 6.581 -3.992 10.816 548 H GLY 14 H GLY 14 5.059 -2.452 5.163 549 1HA GLY 14 2HA GLY 14 7.093 -2.723 3.245 550 2HA GLY 14 1HA GLY 14 5.571 -2.501 2.402 551 H GLU 15 H GLU 15 6.843 -0.599 1.626 552 HA GLU 15 HA GLU 15 6.103 1.718 3.228 553 1HB GLU 15 2HB GLU 15 8.899 1.301 2.154 554 2HB GLU 15 1HB GLU 15 8.305 2.780 2.894 555 1HG GLU 15 2HG GLU 15 7.950 1.595 4.995 556 2HG GLU 15 1HG GLU 15 8.531 0.104 4.256 557 H THR 16 H THR 16 5.887 3.650 2.014 558 HA THR 16 HA THR 16 6.248 3.532 -0.858 559 HB THR 16 HB THR 16 4.120 2.624 -0.949 560 HG1 THR 16 1HG THR 16 3.530 5.364 -0.791 561 1HG2 THR 16 1HG2 THR 16 2.217 3.345 0.443 562 2HG2 THR 16 2HG2 THR 16 3.324 4.353 1.372 563 3HG2 THR 16 3HG2 THR 16 3.524 2.603 1.368 564 H THR 17 H THR 17 5.531 5.691 -1.887 565 HA THR 17 HA THR 17 5.720 7.918 -0.001 566 HB THR 17 HB THR 17 7.502 8.980 -1.375 567 HG1 THR 17 1HG THR 17 7.551 6.429 -2.605 568 1HG2 THR 17 1HG2 THR 17 8.328 8.009 0.581 569 2HG2 THR 17 2HG2 THR 17 9.362 7.396 -0.707 570 3HG2 THR 17 3HG2 THR 17 8.095 6.372 -0.030 571 H THR 18 H THR 18 4.237 9.364 -0.453 572 HA THR 18 HA THR 18 3.263 9.665 -3.231 573 HB THR 18 HB THR 18 1.561 8.995 -1.547 574 HG1 THR 18 1HG THR 18 1.011 10.346 -3.341 575 1HG2 THR 18 1HG2 THR 18 1.691 9.851 0.494 576 2HG2 THR 18 2HG2 THR 18 0.946 11.295 -0.193 577 3HG2 THR 18 3HG2 THR 18 2.700 11.196 -0.040 578 H GLU 19 H GLU 19 3.067 11.769 -4.099 579 HA GLU 19 HA GLU 19 4.657 13.804 -2.679 580 1HB GLU 19 2HB GLU 19 5.529 13.026 -4.877 581 2HB GLU 19 1HB GLU 19 4.060 13.614 -5.640 582 1HG GLU 19 2HG GLU 19 5.835 15.427 -4.049 583 2HG GLU 19 1HG GLU 19 6.146 15.079 -5.747 584 H ALA 20 H ALA 20 3.536 15.420 -1.793 585 HA ALA 20 HA ALA 20 1.282 16.555 -3.239 586 1HB ALA 20 1HB ALA 20 0.760 14.652 -1.364 587 2HB ALA 20 2HB ALA 20 -0.364 15.914 -1.869 588 3HB ALA 20 3HB ALA 20 0.622 16.137 -0.422 589 H VAL 21 H VAL 21 0.680 18.613 -2.570 590 HA VAL 21 HA VAL 21 2.674 20.389 -1.916 591 HB VAL 21 HB VAL 21 -0.232 20.838 -1.238 592 1HG1 VAL 21 1HG1 VAL 21 1.795 22.838 -2.202 593 2HG1 VAL 21 2HG1 VAL 21 1.518 22.506 -0.492 594 3HG1 VAL 21 3HG1 VAL 21 0.210 23.140 -1.490 595 1HG2 VAL 21 1HG2 VAL 21 1.179 20.794 -3.875 596 2HG2 VAL 21 2HG2 VAL 21 -0.198 21.867 -3.619 597 3HG2 VAL 21 3HG2 VAL 21 -0.392 20.123 -3.430 598 H ASP 22 H ASP 22 0.672 18.525 0.244 599 HA ASP 22 HA ASP 22 2.357 19.306 2.466 600 1HB ASP 22 2HB ASP 22 0.349 19.824 3.925 601 2HB ASP 22 1HB ASP 22 0.766 21.041 2.724 602 H ALA 23 H ALA 23 1.650 18.116 4.526 603 HA ALA 23 HA ALA 23 1.734 15.378 4.041 604 1HB ALA 23 1HB ALA 23 1.955 17.020 6.265 605 2HB ALA 23 2HB ALA 23 2.150 15.268 6.226 606 3HB ALA 23 3HB ALA 23 0.583 15.971 6.629 607 H ALA 24 H ALA 24 -1.020 17.452 4.802 608 HA ALA 24 HA ALA 24 -2.925 15.382 5.043 609 1HB ALA 24 1HB ALA 24 -4.434 17.448 4.171 610 2HB ALA 24 2HB ALA 24 -2.999 18.316 4.717 611 3HB ALA 24 3HB ALA 24 -3.879 17.276 5.836 612 H THR 25 H THR 25 -2.204 17.541 2.276 613 HA THR 25 HA THR 25 -3.874 16.359 0.423 614 HB THR 25 HB THR 25 -2.186 17.160 -1.279 615 HG1 THR 25 1HG THR 25 -0.707 17.462 1.031 616 1HG2 THR 25 1HG2 THR 25 -3.108 19.078 0.835 617 2HG2 THR 25 2HG2 THR 25 -3.889 18.698 -0.700 618 3HG2 THR 25 3HG2 THR 25 -2.359 19.575 -0.682 619 H ALA 26 H ALA 26 -0.552 15.508 1.335 620 HA ALA 26 HA ALA 26 -0.232 13.365 -0.462 621 1HB ALA 26 1HB ALA 26 1.034 13.145 2.207 622 2HB ALA 26 2HB ALA 26 1.421 14.584 1.264 623 3HB ALA 26 3HB ALA 26 1.743 12.983 0.601 624 H GLU 27 H GLU 27 -1.245 13.421 2.961 625 HA GLU 27 HA GLU 27 -1.782 10.743 3.309 626 1HB GLU 27 2HB GLU 27 -1.809 12.362 5.132 627 2HB GLU 27 1HB GLU 27 -3.242 13.124 4.457 628 1HG GLU 27 2HG GLU 27 -4.518 11.086 4.849 629 2HG GLU 27 1HG GLU 27 -3.080 10.311 5.514 630 H LYS 28 H LYS 28 -3.974 13.291 2.133 631 HA LYS 28 HA LYS 28 -6.243 11.691 1.790 632 1HB LYS 28 2HB LYS 28 -5.379 14.158 0.272 633 2HB LYS 28 1HB LYS 28 -6.984 13.447 0.188 634 1HG LYS 28 2HG LYS 28 -5.675 14.620 2.632 635 2HG LYS 28 1HG LYS 28 -6.989 15.331 1.692 636 1HD LYS 28 2HD LYS 28 -8.412 13.414 2.261 637 2HD LYS 28 1HD LYS 28 -7.099 12.735 3.225 638 1HE LYS 28 2HE LYS 28 -8.475 15.376 3.711 639 2HE LYS 28 1HE LYS 28 -8.728 13.894 4.633 640 1HZ LYS 28 1HZ LYS 28 -6.158 15.371 4.430 641 2HZ LYS 28 2HZ LYS 28 -6.427 13.970 5.340 642 3HZ LYS 28 3HZ LYS 28 -7.210 15.409 5.755 643 H VAL 29 H VAL 29 -3.547 12.379 -0.376 644 HA VAL 29 HA VAL 29 -4.578 11.122 -2.669 645 HB VAL 29 HB VAL 29 -1.679 11.366 -1.825 646 1HG1 VAL 29 1HG1 VAL 29 -1.259 11.243 -4.289 647 2HG1 VAL 29 2HG1 VAL 29 -2.946 10.766 -4.490 648 3HG1 VAL 29 3HG1 VAL 29 -1.845 9.745 -3.563 649 1HG2 VAL 29 1HG2 VAL 29 -2.631 13.179 -3.889 650 2HG2 VAL 29 2HG2 VAL 29 -1.709 13.517 -2.423 651 3HG2 VAL 29 3HG2 VAL 29 -3.467 13.403 -2.352 652 H VAL 30 H VAL 30 -2.924 9.902 0.160 653 HA VAL 30 HA VAL 30 -2.444 7.282 -0.826 654 HB VAL 30 HB VAL 30 -2.879 7.997 2.070 655 1HG1 VAL 30 1HG1 VAL 30 -0.893 6.042 0.984 656 2HG1 VAL 30 2HG1 VAL 30 -2.585 5.586 1.178 657 3HG1 VAL 30 3HG1 VAL 30 -1.643 6.099 2.578 658 1HG2 VAL 30 1HG2 VAL 30 -1.279 9.557 1.712 659 2HG2 VAL 30 2HG2 VAL 30 -0.686 8.771 0.248 660 3HG2 VAL 30 3HG2 VAL 30 -0.214 8.156 1.833 661 H LYS 31 H LYS 31 -5.030 8.688 1.232 662 HA LYS 31 HA LYS 31 -6.594 6.469 1.671 663 1HB LYS 31 2HB LYS 31 -7.335 9.338 1.176 664 2HB LYS 31 1HB LYS 31 -8.586 8.125 1.398 665 1HG LYS 31 2HG LYS 31 -8.122 9.286 3.468 666 2HG LYS 31 1HG LYS 31 -7.681 7.583 3.593 667 1HD LYS 31 2HD LYS 31 -5.338 8.171 3.194 668 2HD LYS 31 1HD LYS 31 -5.797 9.873 3.084 669 1HE LYS 31 2HE LYS 31 -4.874 9.067 5.321 670 2HE LYS 31 1HE LYS 31 -6.383 9.981 5.355 671 1HZ LYS 31 1HZ LYS 31 -7.562 8.179 5.996 672 2HZ LYS 31 2HZ LYS 31 -6.072 7.702 6.635 673 3HZ LYS 31 3HZ LYS 31 -6.592 7.079 5.152 674 H GLN 32 H GLN 32 -6.535 8.566 -1.150 675 HA GLN 32 HA GLN 32 -8.536 7.155 -2.587 676 1HB GLN 32 2HB GLN 32 -7.989 9.466 -3.078 677 2HB GLN 32 1HB GLN 32 -6.359 9.004 -3.555 678 1HG GLN 32 2HG GLN 32 -7.193 7.808 -5.454 679 2HG GLN 32 1HG GLN 32 -8.859 8.058 -4.933 680 1HE2 GLN 32 1HE2 GLN 32 -7.375 10.845 -4.148 681 2HE2 GLN 32 2HE2 GLN 32 -7.645 11.749 -5.591 682 H PHE 33 H PHE 33 -5.026 7.023 -2.451 683 HA PHE 33 HA PHE 33 -4.448 5.311 -4.545 684 1HB PHE 33 2HB PHE 33 -2.788 6.435 -3.033 685 2HB PHE 33 1HB PHE 33 -3.183 5.256 -1.791 686 HD1 PHE 33 1HD PHE 33 -1.982 5.469 -5.303 687 HD2 PHE 33 2HD PHE 33 -1.929 3.320 -1.622 688 HE1 PHE 33 1HE PHE 33 -0.268 3.956 -6.209 689 HE2 PHE 33 2HE PHE 33 -0.213 1.808 -2.528 690 HZ PHE 33 HZ PHE 33 0.620 2.128 -4.827 691 H PHE 34 H PHE 34 -5.316 4.533 -1.223 692 HA PHE 34 HA PHE 34 -5.523 1.699 -1.734 693 1HB PHE 34 2HB PHE 34 -6.310 3.332 0.684 694 2HB PHE 34 1HB PHE 34 -6.316 1.568 0.605 695 HD1 PHE 34 1HD PHE 34 -3.904 0.987 -0.882 696 HD2 PHE 34 2HD PHE 34 -4.583 3.887 2.154 697 HE1 PHE 34 1HE PHE 34 -1.513 0.956 -0.330 698 HE2 PHE 34 2HE PHE 34 -2.187 3.858 2.717 699 HZ PHE 34 HZ PHE 34 -0.658 2.395 1.461 700 H ASN 35 H ASN 35 -7.703 4.427 -1.442 701 HA ASN 35 HA ASN 35 -10.169 3.183 -1.341 702 1HB ASN 35 2HB ASN 35 -9.851 5.641 -1.300 703 2HB ASN 35 1HB ASN 35 -9.410 5.605 -3.006 704 1HD2 ASN 35 1HD2 ASN 35 -11.810 6.319 -0.983 705 2HD2 ASN 35 2HD2 ASN 35 -13.176 6.042 -2.002 706 H ASP 36 H ASP 36 -8.046 3.765 -4.057 707 HA ASP 36 HA ASP 36 -9.843 2.384 -5.891 708 1HB ASP 36 2HB ASP 36 -7.258 3.859 -6.423 709 2HB ASP 36 1HB ASP 36 -8.294 3.149 -7.660 710 H ASN 37 H ASN 37 -6.874 1.753 -4.159 711 HA ASN 37 HA ASN 37 -6.119 -0.429 -5.900 712 1HB ASN 37 2HB ASN 37 -5.124 0.366 -3.154 713 2HB ASN 37 1HB ASN 37 -4.497 -1.006 -4.060 714 1HD2 ASN 37 1HD2 ASN 37 -3.310 1.591 -3.114 715 2HD2 ASN 37 2HD2 ASN 37 -2.581 2.265 -4.530 716 H GLY 38 H GLY 38 -7.537 -0.026 -2.706 717 1HA GLY 38 2HA GLY 38 -8.040 -2.023 -1.336 718 2HA GLY 38 1HA GLY 38 -9.464 -1.354 -2.098 719 H VAL 39 H VAL 39 -10.748 -2.808 -2.875 720 HA VAL 39 HA VAL 39 -9.644 -5.404 -3.714 721 HB VAL 39 HB VAL 39 -12.437 -4.717 -2.852 722 1HG1 VAL 39 1HG1 VAL 39 -12.822 -6.664 -3.946 723 2HG1 VAL 39 2HG1 VAL 39 -12.233 -7.363 -2.439 724 3HG1 VAL 39 3HG1 VAL 39 -11.145 -7.197 -3.817 725 1HG2 VAL 39 1HG2 VAL 39 -10.031 -5.235 -1.321 726 2HG2 VAL 39 2HG2 VAL 39 -11.319 -6.373 -0.933 727 3HG2 VAL 39 3HG2 VAL 39 -11.602 -4.640 -0.788 728 H ASP 40 H ASP 40 -10.641 -2.683 -5.288 729 HA ASP 40 HA ASP 40 -11.836 -4.288 -7.440 730 1HB ASP 40 2HB ASP 40 -12.557 -1.457 -6.663 731 2HB ASP 40 1HB ASP 40 -13.190 -2.319 -8.062 732 H GLY 41 H GLY 41 -9.051 -2.978 -6.710 733 1HA GLY 41 2HA GLY 41 -8.628 -1.213 -8.953 734 2HA GLY 41 1HA GLY 41 -7.413 -1.761 -7.812 735 H GLU 42 H GLU 42 -6.575 -1.616 -10.294 736 HA GLU 42 HA GLU 42 -6.885 -4.224 -11.587 737 1HB GLU 42 2HB GLU 42 -5.412 -1.747 -12.505 738 2HB GLU 42 1HB GLU 42 -5.631 -3.213 -13.449 739 1HG GLU 42 2HG GLU 42 -7.823 -1.388 -12.492 740 2HG GLU 42 1HG GLU 42 -7.183 -1.473 -14.132 741 H TRP 43 H TRP 43 -5.651 -5.717 -10.568 742 HA TRP 43 HA TRP 43 -2.910 -5.010 -9.815 743 1HB TRP 43 2HB TRP 43 -4.557 -7.441 -9.113 744 2HB TRP 43 1HB TRP 43 -2.958 -7.067 -8.487 745 HD1 TRP 43 HD TRP 43 -5.914 -4.567 -8.700 746 HE1 TRP 43 1HE TRP 43 -6.454 -3.799 -6.303 747 HE3 TRP 43 3HE TRP 43 -2.687 -7.576 -6.139 748 HZ2 TRP 43 2HZ TRP 43 -5.622 -4.386 -3.681 749 HZ3 TRP 43 3HZ TRP 43 -2.617 -7.417 -3.693 750 HH2 TRP 43 HH TRP 43 -4.061 -5.853 -2.485 751 H THR 44 H THR 44 -1.262 -5.615 -11.046 752 HA THR 44 HA THR 44 -1.613 -7.877 -12.891 753 HB THR 44 HB THR 44 0.382 -6.936 -14.071 754 HG1 THR 44 1HG THR 44 1.490 -5.552 -12.972 755 1HG2 THR 44 1HG2 THR 44 -0.719 -5.272 -15.247 756 2HG2 THR 44 2HG2 THR 44 -1.627 -4.737 -13.834 757 3HG2 THR 44 3HG2 THR 44 -2.033 -6.265 -14.616 758 H TYR 45 H TYR 45 -0.356 -9.681 -12.635 759 HA TYR 45 HA TYR 45 1.549 -9.613 -10.390 760 1HB TYR 45 2HB TYR 45 -0.405 -11.070 -10.057 761 2HB TYR 45 1HB TYR 45 0.020 -11.967 -11.511 762 HD1 TYR 45 1HD TYR 45 2.241 -10.746 -8.777 763 HD2 TYR 45 2HD TYR 45 0.528 -14.107 -10.745 764 HE1 TYR 45 1HE TYR 45 3.653 -12.245 -7.434 765 HE2 TYR 45 2HE TYR 45 1.936 -15.616 -9.407 766 HH TYR 45 HH TYR 45 3.974 -15.591 -8.128 767 H ASP 46 H ASP 46 3.552 -10.560 -10.547 768 HA ASP 46 HA ASP 46 4.389 -11.438 -13.230 769 1HB ASP 46 2HB ASP 46 5.276 -9.191 -12.757 770 2HB ASP 46 1HB ASP 46 5.996 -9.784 -11.263 771 H ASP 47 H ASP 47 3.973 -13.601 -12.477 772 HA ASP 47 HA ASP 47 4.901 -14.835 -10.221 773 1HB ASP 47 2HB ASP 47 4.801 -16.003 -13.009 774 2HB ASP 47 1HB ASP 47 4.911 -16.939 -11.520 775 H ALA 48 H ALA 48 6.725 -14.053 -13.124 776 HA ALA 48 HA ALA 48 9.000 -15.554 -12.803 777 1HB ALA 48 1HB ALA 48 9.559 -12.790 -13.590 778 2HB ALA 48 2HB ALA 48 8.237 -13.548 -14.478 779 3HB ALA 48 3HB ALA 48 9.832 -14.301 -14.459 780 H THR 49 H THR 49 8.009 -12.762 -10.942 781 HA THR 49 HA THR 49 10.436 -13.082 -9.305 782 HB THR 49 HB THR 49 10.409 -10.648 -8.881 783 HG1 THR 49 1HG THR 49 8.266 -10.735 -10.716 784 1HG2 THR 49 1HG2 THR 49 10.472 -10.376 -11.725 785 2HG2 THR 49 2HG2 THR 49 11.251 -11.884 -11.243 786 3HG2 THR 49 3HG2 THR 49 11.801 -10.351 -10.566 787 H LYS 50 H LYS 50 7.359 -13.778 -9.237 788 HA LYS 50 HA LYS 50 5.697 -13.922 -7.668 789 1HB LYS 50 2HB LYS 50 8.099 -13.877 -5.843 790 2HB LYS 50 1HB LYS 50 6.477 -14.353 -5.357 791 1HG LYS 50 2HG LYS 50 6.951 -15.924 -7.564 792 2HG LYS 50 1HG LYS 50 8.524 -15.861 -6.765 793 1HD LYS 50 2HD LYS 50 5.913 -16.617 -5.466 794 2HD LYS 50 1HD LYS 50 7.176 -17.744 -5.965 795 1HE LYS 50 2HE LYS 50 7.447 -15.568 -3.892 796 2HE LYS 50 1HE LYS 50 7.289 -17.293 -3.565 797 1HZ LYS 50 1HZ LYS 50 9.383 -17.289 -5.205 798 2HZ LYS 50 2HZ LYS 50 9.521 -17.182 -3.523 799 3HZ LYS 50 3HZ LYS 50 9.598 -15.781 -4.467 800 H THR 51 H THR 51 6.352 -11.260 -8.550 801 HA THR 51 HA THR 51 5.642 -9.728 -6.138 802 HB THR 51 HB THR 51 7.236 -8.831 -8.547 803 HG1 THR 51 1HG THR 51 8.916 -8.684 -7.068 804 1HG2 THR 51 1HG2 THR 51 5.682 -7.218 -6.910 805 2HG2 THR 51 2HG2 THR 51 6.989 -6.711 -7.979 806 3HG2 THR 51 3HG2 THR 51 7.322 -7.058 -6.283 807 H PHE 52 H PHE 52 3.891 -8.435 -6.220 808 HA PHE 52 HA PHE 52 2.326 -8.464 -8.711 809 1HB PHE 52 2HB PHE 52 1.362 -7.861 -5.906 810 2HB PHE 52 1HB PHE 52 0.364 -8.083 -7.336 811 HD1 PHE 52 1HD PHE 52 -0.668 -10.109 -7.605 812 HD2 PHE 52 2HD PHE 52 2.951 -9.928 -5.376 813 HE1 PHE 52 1HE PHE 52 -0.880 -12.503 -7.072 814 HE2 PHE 52 2HE PHE 52 2.750 -12.321 -4.844 815 HZ PHE 52 HZ PHE 52 0.832 -13.611 -5.693 816 H THR 53 H THR 53 1.494 -6.530 -9.545 817 HA THR 53 HA THR 53 2.486 -4.080 -8.255 818 HB THR 53 HB THR 53 2.422 -3.162 -10.695 819 HG1 THR 53 1HG THR 53 2.884 -5.899 -11.224 820 1HG2 THR 53 1HG2 THR 53 4.546 -3.057 -9.990 821 2HG2 THR 53 2HG2 THR 53 4.742 -4.440 -11.071 822 3HG2 THR 53 3HG2 THR 53 4.529 -4.697 -9.340 823 H VAL 54 H VAL 54 1.059 -2.598 -7.788 824 HA VAL 54 HA VAL 54 -1.676 -2.886 -8.847 825 HB VAL 54 HB VAL 54 -0.796 -1.455 -6.327 826 1HG1 VAL 54 1HG1 VAL 54 -3.133 -1.269 -5.811 827 2HG1 VAL 54 2HG1 VAL 54 -3.571 -2.201 -7.241 828 3HG1 VAL 54 3HG1 VAL 54 -2.861 -0.599 -7.418 829 1HG2 VAL 54 1HG2 VAL 54 -2.467 -3.857 -6.100 830 2HG2 VAL 54 2HG2 VAL 54 -1.091 -3.333 -5.130 831 3HG2 VAL 54 3HG2 VAL 54 -0.824 -4.152 -6.669 832 H THR 55 H THR 55 -1.979 -1.534 -10.513 833 HA THR 55 HA THR 55 -0.617 1.059 -10.455 834 HB THR 55 HB THR 55 -2.086 -0.145 -12.793 835 HG1 THR 55 1HG THR 55 -0.181 -1.043 -13.411 836 1HG2 THR 55 1HG2 THR 55 -0.428 1.259 -14.057 837 2HG2 THR 55 2HG2 THR 55 -0.041 2.037 -12.521 838 3HG2 THR 55 3HG2 THR 55 -1.674 2.147 -13.181 839 H GLU 56 H GLU 56 -1.685 2.741 -9.727 840 HA GLU 56 HA GLU 56 -4.413 2.817 -9.161 841 1HB GLU 56 2HB GLU 56 -2.801 4.318 -8.109 842 2HB GLU 56 1HB GLU 56 -2.499 5.105 -9.651 843 1HG GLU 56 2HG GLU 56 -3.949 6.448 -8.243 844 2HG GLU 56 1HG GLU 56 -4.788 5.923 -9.703 Start of MODEL 25 1 1H MET 1 1HT MET 1 5.927 -19.610 2.433 2 2H MET 1 2HT MET 1 4.566 -18.765 1.891 3 3H MET 1 3HT MET 1 5.504 -18.139 3.152 4 HA MET 1 HA MET 1 7.411 -18.203 1.441 5 1HB MET 1 2HB MET 1 6.136 -19.447 -0.230 6 2HB MET 1 1HB MET 1 4.924 -18.176 -0.282 7 1HG MET 1 2HG MET 1 6.383 -18.037 -2.199 8 2HG MET 1 1HG MET 1 6.587 -16.623 -1.167 9 1HE MET 1 1HE MET 1 8.434 -17.276 -3.425 10 2HE MET 1 2HE MET 1 10.096 -17.427 -2.851 11 3HE MET 1 3HE MET 1 9.117 -16.042 -2.364 12 H GLN 2 H GLN 2 8.098 -16.148 0.792 13 HA GLN 2 HA GLN 2 6.431 -13.953 1.793 14 1HB GLN 2 2HB GLN 2 8.648 -14.158 2.812 15 2HB GLN 2 1HB GLN 2 9.401 -14.067 1.225 16 1HG GLN 2 2HG GLN 2 9.581 -11.950 2.377 17 2HG GLN 2 1HG GLN 2 8.558 -11.792 0.951 18 1HE2 GLN 2 1HE2 GLN 2 8.859 -10.859 4.044 19 2HE2 GLN 2 2HE2 GLN 2 7.202 -10.581 4.448 20 H TYR 3 H TYR 3 5.761 -12.318 0.492 21 HA TYR 3 HA TYR 3 6.756 -12.286 -2.277 22 1HB TYR 3 2HB TYR 3 3.872 -12.009 -1.408 23 2HB TYR 3 1HB TYR 3 4.461 -11.802 -3.055 24 HD1 TYR 3 1HD TYR 3 4.838 -13.674 -4.460 25 HD2 TYR 3 2HD TYR 3 4.005 -14.264 -0.331 26 HE1 TYR 3 1HE TYR 3 4.542 -16.081 -4.870 27 HE2 TYR 3 2HE TYR 3 3.710 -16.672 -0.730 28 HH TYR 3 HH TYR 3 3.395 -18.000 -3.826 29 H LYS 4 H LYS 4 6.891 -10.267 -3.257 30 HA LYS 4 HA LYS 4 6.524 -7.990 -1.424 31 1HB LYS 4 2HB LYS 4 8.872 -8.405 -2.007 32 2HB LYS 4 1HB LYS 4 8.474 -8.286 -3.716 33 1HG LYS 4 2HG LYS 4 7.910 -5.962 -3.478 34 2HG LYS 4 1HG LYS 4 8.125 -6.052 -1.728 35 1HD LYS 4 2HD LYS 4 10.065 -5.029 -2.814 36 2HD LYS 4 1HD LYS 4 10.493 -6.551 -2.032 37 1HE LYS 4 2HE LYS 4 10.350 -7.691 -4.202 38 2HE LYS 4 1HE LYS 4 9.945 -6.158 -4.973 39 1HZ LYS 4 1HZ LYS 4 12.083 -5.628 -5.085 40 2HZ LYS 4 2HZ LYS 4 12.465 -7.187 -4.553 41 3HZ LYS 4 3HZ LYS 4 12.324 -5.925 -3.436 42 H VAL 5 H VAL 5 4.747 -6.906 -1.911 43 HA VAL 5 HA VAL 5 3.812 -6.810 -4.670 44 HB VAL 5 HB VAL 5 2.483 -5.821 -2.145 45 1HG1 VAL 5 1HG1 VAL 5 0.683 -5.159 -3.347 46 2HG1 VAL 5 2HG1 VAL 5 0.926 -6.377 -4.595 47 3HG1 VAL 5 3HG1 VAL 5 1.907 -4.912 -4.590 48 1HG2 VAL 5 1HG2 VAL 5 2.592 -8.441 -3.469 49 2HG2 VAL 5 2HG2 VAL 5 0.981 -7.898 -3.003 50 3HG2 VAL 5 3HG2 VAL 5 2.255 -8.029 -1.790 51 H ILE 6 H ILE 6 3.906 -5.099 -5.920 52 HA ILE 6 HA ILE 6 5.100 -2.643 -4.843 53 HB ILE 6 HB ILE 6 4.907 -3.671 -7.676 54 1HG1 ILE 6 2HG1 ILE 6 7.289 -3.100 -5.903 55 2HG1 ILE 6 1HG1 ILE 6 6.619 -4.697 -6.204 56 1HG2 ILE 6 1HG2 ILE 6 4.859 -1.490 -8.233 57 2HG2 ILE 6 2HG2 ILE 6 6.578 -1.558 -7.848 58 3HG2 ILE 6 3HG2 ILE 6 5.431 -0.965 -6.649 59 1HD1 ILE 6 1HD1 ILE 6 8.595 -4.296 -7.554 60 2HD1 ILE 6 2HD1 ILE 6 7.833 -2.873 -8.266 61 3HD1 ILE 6 3HD1 ILE 6 7.166 -4.477 -8.573 62 H LEU 7 H LEU 7 3.932 -0.867 -4.627 63 HA LEU 7 HA LEU 7 1.242 -0.820 -5.806 64 1HB LEU 7 2HB LEU 7 2.192 0.981 -3.595 65 2HB LEU 7 1HB LEU 7 0.553 0.495 -3.987 66 HG LEU 7 HG LEU 7 2.672 -1.254 -2.751 67 1HD1 LEU 7 1HD1 LEU 7 1.653 0.458 -1.270 68 2HD1 LEU 7 2HD1 LEU 7 1.307 -1.198 -0.781 69 3HD1 LEU 7 3HD1 LEU 7 0.074 -0.247 -1.606 70 1HD2 LEU 7 1HD2 LEU 7 1.004 -2.980 -2.650 71 2HD2 LEU 7 2HD2 LEU 7 1.186 -2.458 -4.324 72 3HD2 LEU 7 3HD2 LEU 7 -0.201 -1.918 -3.380 73 H ASN 8 H ASN 8 1.924 -0.058 -7.847 74 HA ASN 8 HA ASN 8 3.303 2.493 -8.006 75 1HB ASN 8 2HB ASN 8 2.406 0.498 -10.076 76 2HB ASN 8 1HB ASN 8 3.040 2.077 -10.518 77 1HD2 ASN 8 1HD2 ASN 8 4.650 1.321 -7.774 78 2HD2 ASN 8 2HD2 ASN 8 6.025 0.538 -8.453 79 H GLY 9 H GLY 9 2.034 4.169 -7.507 80 1HA GLY 9 2HA GLY 9 -0.515 4.436 -8.982 81 2HA GLY 9 1HA GLY 9 -0.269 5.068 -7.362 82 H LYS 10 H LYS 10 -1.062 6.451 -9.817 83 HA LYS 10 HA LYS 10 0.820 7.907 -11.101 84 1HB LYS 10 2HB LYS 10 -1.777 8.980 -9.991 85 2HB LYS 10 1HB LYS 10 -0.840 9.717 -11.282 86 1HG LYS 10 2HG LYS 10 -1.215 7.772 -12.689 87 2HG LYS 10 1HG LYS 10 -2.121 6.994 -11.391 88 1HD LYS 10 2HD LYS 10 -2.866 9.593 -12.731 89 2HD LYS 10 1HD LYS 10 -3.598 8.023 -13.069 90 1HE LYS 10 2HE LYS 10 -4.334 7.888 -10.723 91 2HE LYS 10 1HE LYS 10 -3.645 9.485 -10.429 92 1HZ LYS 10 1HZ LYS 10 -5.995 8.759 -12.056 93 2HZ LYS 10 2HZ LYS 10 -5.170 10.206 -12.344 94 3HZ LYS 10 3HZ LYS 10 -5.866 9.919 -10.830 95 H THR 11 H THR 11 -0.681 8.933 -8.031 96 HA THR 11 HA THR 11 1.459 10.871 -7.631 97 HB THR 11 HB THR 11 -0.106 11.540 -5.694 98 HG1 THR 11 1HG THR 11 -1.994 10.114 -7.227 99 1HG2 THR 11 1HG2 THR 11 -1.202 13.063 -6.989 100 2HG2 THR 11 2HG2 THR 11 -1.537 11.896 -8.268 101 3HG2 THR 11 3HG2 THR 11 0.080 12.579 -8.100 102 H LEU 12 H LEU 12 0.809 7.727 -6.769 103 HA LEU 12 HA LEU 12 2.543 7.976 -4.422 104 1HB LEU 12 2HB LEU 12 0.259 7.758 -3.604 105 2HB LEU 12 1HB LEU 12 0.025 6.322 -4.580 106 HG LEU 12 HG LEU 12 1.483 5.046 -3.227 107 1HD1 LEU 12 1HD1 LEU 12 2.564 7.650 -2.561 108 2HD1 LEU 12 2HD1 LEU 12 3.323 6.068 -2.503 109 3HD1 LEU 12 3HD1 LEU 12 2.344 6.630 -1.144 110 1HD2 LEU 12 1HD2 LEU 12 0.280 6.527 -1.003 111 2HD2 LEU 12 2HD2 LEU 12 0.103 4.837 -1.470 112 3HD2 LEU 12 3HD2 LEU 12 -0.841 6.081 -2.287 113 H LYS 13 H LYS 13 4.103 6.460 -4.253 114 HA LYS 13 HA LYS 13 3.933 4.033 -5.859 115 1HB LYS 13 2HB LYS 13 6.209 6.008 -6.117 116 2HB LYS 13 1HB LYS 13 6.192 4.394 -6.816 117 1HG LYS 13 2HG LYS 13 4.276 5.006 -8.197 118 2HG LYS 13 1HG LYS 13 4.278 6.620 -7.487 119 1HD LYS 13 2HD LYS 13 6.527 5.396 -9.085 120 2HD LYS 13 1HD LYS 13 5.373 6.594 -9.678 121 1HE LYS 13 2HE LYS 13 6.167 8.184 -7.993 122 2HE LYS 13 1HE LYS 13 7.324 6.987 -7.413 123 1HZ LYS 13 1HZ LYS 13 8.613 8.212 -8.827 124 2HZ LYS 13 2HZ LYS 13 7.350 8.539 -9.904 125 3HZ LYS 13 3HZ LYS 13 8.075 7.010 -9.891 126 H GLY 14 H GLY 14 5.173 2.321 -5.056 127 1HA GLY 14 2HA GLY 14 7.230 2.588 -3.157 128 2HA GLY 14 1HA GLY 14 5.716 2.377 -2.301 129 H GLU 15 H GLU 15 6.991 0.491 -1.521 130 HA GLU 15 HA GLU 15 6.250 -1.848 -3.097 131 1HB GLU 15 2HB GLU 15 9.029 -1.436 -1.971 132 2HB GLU 15 1HB GLU 15 8.435 -2.926 -2.689 133 1HG GLU 15 2HG GLU 15 9.702 -1.915 -4.361 134 2HG GLU 15 1HG GLU 15 8.030 -1.570 -4.797 135 H THR 16 H THR 16 5.638 -3.571 -1.881 136 HA THR 16 HA THR 16 6.042 -3.452 1.011 137 HB THR 16 HB THR 16 3.922 -2.539 0.992 138 HG1 THR 16 1HG THR 16 3.318 -5.277 0.884 139 1HG2 THR 16 1HG2 THR 16 3.380 -2.546 -1.319 140 2HG2 THR 16 2HG2 THR 16 2.064 -3.338 -0.450 141 3HG2 THR 16 3HG2 THR 16 3.244 -4.303 -1.337 142 H THR 17 H THR 17 5.280 -5.573 2.081 143 HA THR 17 HA THR 17 5.538 -7.855 0.279 144 HB THR 17 HB THR 17 7.276 -8.876 1.731 145 HG1 THR 17 1HG THR 17 6.781 -7.456 3.554 146 1HG2 THR 17 1HG2 THR 17 9.160 -7.370 1.078 147 2HG2 THR 17 2HG2 THR 17 7.953 -6.253 0.437 148 3HG2 THR 17 3HG2 THR 17 8.103 -7.873 -0.242 149 H THR 18 H THR 18 4.014 -9.254 0.700 150 HA THR 18 HA THR 18 2.931 -9.509 3.445 151 HB THR 18 HB THR 18 1.288 -8.848 1.717 152 HG1 THR 18 1HG THR 18 0.684 -10.254 3.465 153 1HG2 THR 18 1HG2 THR 18 0.591 -10.780 0.147 154 2HG2 THR 18 2HG2 THR 18 2.264 -11.304 0.340 155 3HG2 THR 18 3HG2 THR 18 1.911 -9.708 -0.321 156 H GLU 19 H GLU 19 2.783 -11.557 4.371 157 HA GLU 19 HA GLU 19 4.375 -13.643 3.040 158 1HB GLU 19 2HB GLU 19 5.199 -12.932 5.236 159 2HB GLU 19 1HB GLU 19 3.639 -13.305 5.958 160 1HG GLU 19 2HG GLU 19 3.950 -15.664 5.402 161 2HG GLU 19 1HG GLU 19 5.517 -15.285 4.689 162 H ALA 20 H ALA 20 3.212 -15.191 2.042 163 HA ALA 20 HA ALA 20 0.903 -16.309 3.419 164 1HB ALA 20 1HB ALA 20 0.386 -14.370 1.666 165 2HB ALA 20 2HB ALA 20 -0.683 -15.751 1.906 166 3HB ALA 20 3HB ALA 20 0.452 -15.737 0.555 167 H VAL 21 H VAL 21 0.336 -18.367 2.776 168 HA VAL 21 HA VAL 21 2.326 -20.148 2.139 169 HB VAL 21 HB VAL 21 -0.585 -20.595 1.482 170 1HG1 VAL 21 1HG1 VAL 21 -0.124 -22.787 1.295 171 2HG1 VAL 21 2HG1 VAL 21 1.065 -22.756 2.597 172 3HG1 VAL 21 3HG1 VAL 21 1.516 -22.225 0.977 173 1HG2 VAL 21 1HG2 VAL 21 0.854 -20.495 4.094 174 2HG2 VAL 21 2HG2 VAL 21 -0.472 -21.639 3.879 175 3HG2 VAL 21 3HG2 VAL 21 -0.756 -19.911 3.670 176 H ASP 22 H ASP 22 0.131 -18.522 -0.078 177 HA ASP 22 HA ASP 22 1.893 -19.258 -2.281 178 1HB ASP 22 2HB ASP 22 0.114 -20.073 -3.717 179 2HB ASP 22 1HB ASP 22 0.171 -21.029 -2.241 180 H ALA 23 H ALA 23 1.115 -18.147 -4.383 181 HA ALA 23 HA ALA 23 1.156 -15.397 -3.965 182 1HB ALA 23 1HB ALA 23 0.393 -15.350 -6.440 183 2HB ALA 23 2HB ALA 23 0.570 -17.103 -6.349 184 3HB ALA 23 3HB ALA 23 1.955 -16.059 -6.035 185 H ALA 24 H ALA 24 -1.567 -17.532 -4.688 186 HA ALA 24 HA ALA 24 -3.508 -15.507 -4.966 187 1HB ALA 24 1HB ALA 24 -4.982 -17.570 -4.040 188 2HB ALA 24 2HB ALA 24 -3.531 -18.431 -4.550 189 3HB ALA 24 3HB ALA 24 -4.422 -17.442 -5.707 190 H THR 25 H THR 25 -2.733 -17.573 -2.158 191 HA THR 25 HA THR 25 -4.414 -16.399 -0.305 192 HB THR 25 HB THR 25 -2.788 -17.199 1.390 193 HG1 THR 25 1HG THR 25 -0.803 -17.466 0.889 194 1HG2 THR 25 1HG2 THR 25 -3.567 -19.001 -0.842 195 2HG2 THR 25 2HG2 THR 25 -4.136 -18.963 0.827 196 3HG2 THR 25 3HG2 THR 25 -2.535 -19.603 0.457 197 H ALA 26 H ALA 26 -1.114 -15.523 -1.252 198 HA ALA 26 HA ALA 26 -0.787 -13.337 0.483 199 1HB ALA 26 1HB ALA 26 1.224 -13.737 -0.468 200 2HB ALA 26 2HB ALA 26 0.665 -12.590 -1.685 201 3HB ALA 26 3HB ALA 26 0.510 -14.323 -1.970 202 H GLU 27 H GLU 27 -1.837 -13.457 -2.928 203 HA GLU 27 HA GLU 27 -2.446 -10.828 -3.363 204 1HB GLU 27 2HB GLU 27 -2.547 -12.427 -5.143 205 2HB GLU 27 1HB GLU 27 -3.809 -13.338 -4.330 206 1HG GLU 27 2HG GLU 27 -4.651 -12.035 -6.220 207 2HG GLU 27 1HG GLU 27 -5.390 -11.562 -4.692 208 H LYS 28 H LYS 28 -4.557 -13.328 -1.982 209 HA LYS 28 HA LYS 28 -6.778 -11.643 -1.556 210 1HB LYS 28 2HB LYS 28 -5.995 -14.171 -0.089 211 2HB LYS 28 1HB LYS 28 -7.580 -13.411 -0.038 212 1HG LYS 28 2HG LYS 28 -6.244 -14.685 -2.412 213 2HG LYS 28 1HG LYS 28 -7.680 -15.247 -1.555 214 1HD LYS 28 2HD LYS 28 -8.890 -13.248 -2.261 215 2HD LYS 28 1HD LYS 28 -7.449 -12.664 -3.097 216 1HE LYS 28 2HE LYS 28 -9.020 -13.694 -4.661 217 2HE LYS 28 1HE LYS 28 -7.512 -14.602 -4.578 218 1HZ LYS 28 1HZ LYS 28 -8.510 -16.339 -3.496 219 2HZ LYS 28 2HZ LYS 28 -9.781 -15.830 -4.490 220 3HZ LYS 28 3HZ LYS 28 -9.757 -15.392 -2.857 221 H VAL 29 H VAL 29 -4.112 -12.646 0.557 222 HA VAL 29 HA VAL 29 -4.964 -11.309 2.865 223 HB VAL 29 HB VAL 29 -2.130 -11.877 1.975 224 1HG1 VAL 29 1HG1 VAL 29 -2.520 -10.163 3.850 225 2HG1 VAL 29 2HG1 VAL 29 -1.403 -11.491 4.155 226 3HG1 VAL 29 3HG1 VAL 29 -3.038 -11.546 4.814 227 1HG2 VAL 29 1HG2 VAL 29 -2.369 -14.003 2.638 228 2HG2 VAL 29 2HG2 VAL 29 -4.099 -13.704 2.476 229 3HG2 VAL 29 3HG2 VAL 29 -3.323 -13.554 4.052 230 H VAL 30 H VAL 30 -3.047 -10.236 0.110 231 HA VAL 30 HA VAL 30 -2.406 -7.672 1.157 232 HB VAL 30 HB VAL 30 -2.661 -8.486 -1.745 233 1HG1 VAL 30 1HG1 VAL 30 -0.892 -6.337 -0.617 234 2HG1 VAL 30 2HG1 VAL 30 -2.554 -6.006 -1.102 235 3HG1 VAL 30 3HG1 VAL 30 -1.389 -6.591 -2.289 236 1HG2 VAL 30 1HG2 VAL 30 -0.988 -9.636 0.064 237 2HG2 VAL 30 2HG2 VAL 30 0.009 -8.316 -0.548 238 3HG2 VAL 30 3HG2 VAL 30 -0.662 -9.505 -1.665 239 H LYS 31 H LYS 31 -4.952 -8.840 -1.079 240 HA LYS 31 HA LYS 31 -6.266 -6.473 -1.559 241 1HB LYS 31 2HB LYS 31 -7.350 -9.261 -1.222 242 2HB LYS 31 1HB LYS 31 -8.373 -7.902 -1.665 243 1HG LYS 31 2HG LYS 31 -7.061 -7.528 -3.666 244 2HG LYS 31 1HG LYS 31 -5.970 -8.835 -3.216 245 1HD LYS 31 2HD LYS 31 -7.515 -9.643 -4.871 246 2HD LYS 31 1HD LYS 31 -7.886 -10.406 -3.326 247 1HE LYS 31 2HE LYS 31 -9.312 -7.959 -4.352 248 2HE LYS 31 1HE LYS 31 -9.866 -9.603 -4.668 249 1HZ LYS 31 1HZ LYS 31 -9.476 -9.534 -1.965 250 2HZ LYS 31 2HZ LYS 31 -10.965 -9.430 -2.757 251 3HZ LYS 31 3HZ LYS 31 -10.151 -8.019 -2.305 252 H GLN 32 H GLN 32 -6.582 -8.646 1.188 253 HA GLN 32 HA GLN 32 -8.640 -7.269 2.530 254 1HB GLN 32 2HB GLN 32 -7.870 -9.554 3.138 255 2HB GLN 32 1HB GLN 32 -6.376 -8.866 3.755 256 1HG GLN 32 2HG GLN 32 -7.837 -9.325 5.588 257 2HG GLN 32 1HG GLN 32 -7.679 -7.580 5.401 258 1HE2 GLN 32 1HE2 GLN 32 -9.647 -8.843 2.970 259 2HE2 GLN 32 2HE2 GLN 32 -11.175 -8.509 3.693 260 H PHE 33 H PHE 33 -5.173 -6.855 2.413 261 HA PHE 33 HA PHE 33 -4.735 -5.078 4.495 262 1HB PHE 33 2HB PHE 33 -3.028 -6.168 2.941 263 2HB PHE 33 1HB PHE 33 -3.408 -4.902 1.781 264 HD1 PHE 33 1HD PHE 33 -2.633 -5.095 5.427 265 HD2 PHE 33 2HD PHE 33 -1.868 -3.212 1.672 266 HE1 PHE 33 1HE PHE 33 -1.007 -3.591 6.499 267 HE2 PHE 33 2HE PHE 33 -0.229 -1.730 2.753 268 HZ PHE 33 HZ PHE 33 0.201 -1.925 5.171 269 H PHE 34 H PHE 34 -5.153 -4.203 1.090 270 HA PHE 34 HA PHE 34 -5.658 -1.450 1.617 271 1HB PHE 34 2HB PHE 34 -6.253 -3.046 -0.879 272 2HB PHE 34 1HB PHE 34 -6.210 -1.285 -0.763 273 HD1 PHE 34 1HD PHE 34 -3.880 -0.800 0.881 274 HD2 PHE 34 2HD PHE 34 -4.470 -3.643 -2.220 275 HE1 PHE 34 1HE PHE 34 -1.460 -0.845 0.473 276 HE2 PHE 34 2HE PHE 34 -2.048 -3.696 -2.642 277 HZ PHE 34 HZ PHE 34 -0.545 -2.298 -1.282 278 H ASN 35 H ASN 35 -7.722 -4.226 1.003 279 HA ASN 35 HA ASN 35 -10.206 -3.031 0.726 280 1HB ASN 35 2HB ASN 35 -9.813 -5.453 0.541 281 2HB ASN 35 1HB ASN 35 -9.489 -5.540 2.269 282 1HD2 ASN 35 1HD2 ASN 35 -11.622 -6.466 0.209 283 2HD2 ASN 35 2HD2 ASN 35 -13.102 -6.226 1.069 284 H ASP 36 H ASP 36 -8.287 -3.690 3.571 285 HA ASP 36 HA ASP 36 -10.285 -2.530 5.357 286 1HB ASP 36 2HB ASP 36 -7.648 -3.878 5.978 287 2HB ASP 36 1HB ASP 36 -8.806 -3.317 7.180 288 H ASN 37 H ASN 37 -7.214 -1.670 3.915 289 HA ASN 37 HA ASN 37 -6.673 0.447 5.802 290 1HB ASN 37 2HB ASN 37 -5.504 -0.105 3.062 291 2HB ASN 37 1HB ASN 37 -4.955 1.177 4.134 292 1HD2 ASN 37 1HD2 ASN 37 -3.775 -1.404 2.997 293 2HD2 ASN 37 2HD2 ASN 37 -3.061 -2.148 4.382 294 H GLY 38 H GLY 38 -7.953 0.132 2.572 295 1HA GLY 38 2HA GLY 38 -8.415 2.148 1.211 296 2HA GLY 38 1HA GLY 38 -9.865 1.455 1.903 297 H VAL 39 H VAL 39 -11.189 2.853 2.724 298 HA VAL 39 HA VAL 39 -10.353 5.556 3.164 299 HB VAL 39 HB VAL 39 -13.043 4.240 3.265 300 1HG1 VAL 39 1HG1 VAL 39 -13.635 6.861 3.075 301 2HG1 VAL 39 2HG1 VAL 39 -12.213 6.944 4.115 302 3HG1 VAL 39 3HG1 VAL 39 -13.608 5.981 4.606 303 1HG2 VAL 39 1HG2 VAL 39 -13.223 4.746 1.102 304 2HG2 VAL 39 2HG2 VAL 39 -11.474 4.974 1.139 305 3HG2 VAL 39 3HG2 VAL 39 -12.551 6.360 1.333 306 H ASP 40 H ASP 40 -12.080 3.251 5.357 307 HA ASP 40 HA ASP 40 -11.641 5.106 7.523 308 1HB ASP 40 2HB ASP 40 -13.008 2.416 7.461 309 2HB ASP 40 1HB ASP 40 -12.975 3.504 8.846 310 H GLY 41 H GLY 41 -9.277 3.625 6.368 311 1HA GLY 41 2HA GLY 41 -8.480 1.701 8.324 312 2HA GLY 41 1HA GLY 41 -7.428 2.478 7.149 313 H GLU 42 H GLU 42 -6.682 1.929 9.831 314 HA GLU 42 HA GLU 42 -6.809 4.481 11.238 315 1HB GLU 42 2HB GLU 42 -5.477 1.872 12.004 316 2HB GLU 42 1HB GLU 42 -5.603 3.291 13.035 317 1HG GLU 42 2HG GLU 42 -7.904 1.662 11.986 318 2HG GLU 42 1HG GLU 42 -7.257 1.612 13.625 319 H TRP 43 H TRP 43 -5.511 5.936 10.183 320 HA TRP 43 HA TRP 43 -2.789 5.118 9.486 321 1HB TRP 43 2HB TRP 43 -4.263 7.658 8.791 322 2HB TRP 43 1HB TRP 43 -2.700 7.160 8.163 323 HD1 TRP 43 HD TRP 43 -5.756 4.809 8.346 324 HE1 TRP 43 1HE TRP 43 -6.409 4.166 5.936 325 HE3 TRP 43 3HE TRP 43 -2.503 7.806 5.821 326 HZ2 TRP 43 2HZ TRP 43 -5.628 4.846 3.312 327 HZ3 TRP 43 3HZ TRP 43 -2.509 7.755 3.372 328 HH2 TRP 43 HH TRP 43 -4.042 6.307 2.137 329 H THR 44 H THR 44 -1.154 5.597 10.783 330 HA THR 44 HA THR 44 -1.420 7.844 12.662 331 HB THR 44 HB THR 44 0.477 6.774 13.872 332 HG1 THR 44 1HG THR 44 1.218 5.633 11.926 333 1HG2 THR 44 1HG2 THR 44 -1.468 4.562 13.558 334 2HG2 THR 44 2HG2 THR 44 -2.057 6.113 14.157 335 3HG2 THR 44 3HG2 THR 44 -0.772 5.264 15.017 336 H TYR 45 H TYR 45 -0.071 9.589 12.472 337 HA TYR 45 HA TYR 45 1.878 9.483 10.271 338 1HB TYR 45 2HB TYR 45 0.062 11.095 9.949 339 2HB TYR 45 1HB TYR 45 0.469 11.873 11.475 340 HD1 TYR 45 1HD TYR 45 2.782 10.675 8.818 341 HD2 TYR 45 2HD TYR 45 1.101 14.029 10.822 342 HE1 TYR 45 1HE TYR 45 4.347 12.158 7.636 343 HE2 TYR 45 2HE TYR 45 2.662 15.522 9.645 344 HH TYR 45 HH TYR 45 4.782 15.445 8.509 345 H ASP 46 H ASP 46 3.951 10.179 10.521 346 HA ASP 46 HA ASP 46 4.784 10.941 13.240 347 1HB ASP 46 2HB ASP 46 5.459 8.626 12.765 348 2HB ASP 46 1HB ASP 46 6.276 9.161 11.299 349 H ASP 47 H ASP 47 4.591 13.135 12.504 350 HA ASP 47 HA ASP 47 5.705 14.326 10.316 351 1HB ASP 47 2HB ASP 47 5.648 15.428 13.133 352 2HB ASP 47 1HB ASP 47 5.895 16.385 11.674 353 H ALA 48 H ALA 48 7.371 13.246 13.211 354 HA ALA 48 HA ALA 48 9.782 14.533 13.021 355 1HB ALA 48 1HB ALA 48 9.077 12.963 14.822 356 2HB ALA 48 2HB ALA 48 10.740 12.745 14.279 357 3HB ALA 48 3HB ALA 48 9.484 11.627 13.745 358 H THR 49 H THR 49 8.627 11.874 11.038 359 HA THR 49 HA THR 49 11.093 12.110 9.442 360 HB THR 49 HB THR 49 10.929 9.695 8.940 361 HG1 THR 49 1HG THR 49 9.514 8.439 10.204 362 1HG2 THR 49 1HG2 THR 49 11.924 8.900 10.855 363 2HG2 THR 49 2HG2 THR 49 10.914 9.882 11.915 364 3HG2 THR 49 3HG2 THR 49 12.206 10.635 10.980 365 H LYS 50 H LYS 50 8.087 13.023 9.317 366 HA LYS 50 HA LYS 50 6.509 13.366 7.692 367 1HB LYS 50 2HB LYS 50 8.956 12.957 5.965 368 2HB LYS 50 1HB LYS 50 7.409 13.512 5.345 369 1HG LYS 50 2HG LYS 50 8.996 14.940 7.464 370 2HG LYS 50 1HG LYS 50 9.054 15.320 5.742 371 1HD LYS 50 2HD LYS 50 6.588 15.699 5.823 372 2HD LYS 50 1HD LYS 50 6.668 15.507 7.576 373 1HE LYS 50 2HE LYS 50 8.141 17.581 5.952 374 2HE LYS 50 1HE LYS 50 6.693 17.867 6.915 375 1HZ LYS 50 1HZ LYS 50 9.448 17.439 7.782 376 2HZ LYS 50 2HZ LYS 50 8.225 16.822 8.772 377 3HZ LYS 50 3HZ LYS 50 8.266 18.472 8.410 378 H THR 51 H THR 51 6.888 10.655 8.675 379 HA THR 51 HA THR 51 6.128 9.098 6.302 380 HB THR 51 HB THR 51 7.255 8.180 8.951 381 HG1 THR 51 1HG THR 51 8.681 9.200 7.353 382 1HG2 THR 51 1HG2 THR 51 7.574 6.092 7.256 383 2HG2 THR 51 2HG2 THR 51 5.980 6.684 6.791 384 3HG2 THR 51 3HG2 THR 51 6.297 6.228 8.465 385 H PHE 52 H PHE 52 4.198 8.076 6.205 386 HA PHE 52 HA PHE 52 2.394 8.456 8.500 387 1HB PHE 52 2HB PHE 52 1.690 8.024 5.601 388 2HB PHE 52 1HB PHE 52 0.547 8.262 6.916 389 HD1 PHE 52 1HD PHE 52 -0.336 10.357 7.165 390 HD2 PHE 52 2HD PHE 52 3.542 9.948 5.457 391 HE1 PHE 52 1HE PHE 52 -0.246 12.788 6.795 392 HE2 PHE 52 2HE PHE 52 3.638 12.379 5.087 393 HZ PHE 52 HZ PHE 52 1.741 13.799 5.756 394 H THR 53 H THR 53 2.759 6.664 9.631 395 HA THR 53 HA THR 53 2.828 4.043 8.466 396 HB THR 53 HB THR 53 2.554 3.336 10.961 397 HG1 THR 53 1HG THR 53 3.017 4.893 12.420 398 1HG2 THR 53 1HG2 THR 53 4.631 2.902 10.127 399 2HG2 THR 53 2HG2 THR 53 4.996 4.091 11.382 400 3HG2 THR 53 3HG2 THR 53 4.931 4.587 9.690 401 H VAL 54 H VAL 54 1.277 2.709 8.020 402 HA VAL 54 HA VAL 54 -1.418 3.216 9.098 403 HB VAL 54 HB VAL 54 -0.713 2.034 6.395 404 1HG1 VAL 54 1HG1 VAL 54 -3.220 2.209 7.945 405 2HG1 VAL 54 2HG1 VAL 54 -2.722 1.050 6.711 406 3HG1 VAL 54 3HG1 VAL 54 -3.329 2.636 6.236 407 1HG2 VAL 54 1HG2 VAL 54 -0.274 4.366 6.311 408 2HG2 VAL 54 2HG2 VAL 54 -1.752 4.746 7.196 409 3HG2 VAL 54 3HG2 VAL 54 -1.846 4.118 5.550 410 H THR 55 H THR 55 -2.133 1.633 10.386 411 HA THR 55 HA THR 55 -0.952 -1.040 10.047 412 HB THR 55 HB THR 55 -2.005 0.120 12.625 413 HG1 THR 55 1HG THR 55 0.612 0.021 11.557 414 1HG2 THR 55 1HG2 THR 55 -0.955 -1.679 13.725 415 2HG2 THR 55 2HG2 THR 55 -0.140 -2.201 12.250 416 3HG2 THR 55 3HG2 THR 55 -1.888 -2.384 12.404 417 H GLU 56 H GLU 56 -2.254 -2.694 9.640 418 HA GLU 56 HA GLU 56 -5.033 -2.262 9.221 419 1HB GLU 56 2HB GLU 56 -3.749 -3.865 7.889 420 2HB GLU 56 1HB GLU 56 -3.453 -4.838 9.322 421 1HG GLU 56 2HG GLU 56 -5.850 -5.274 9.519 422 2HG GLU 56 1HG GLU 56 -6.142 -4.300 8.079 423 1H MET 1 1HT MET 1 6.436 19.513 -2.256 424 2H MET 1 2HT MET 1 5.048 18.701 -1.733 425 3H MET 1 3HT MET 1 5.987 18.052 -2.981 426 HA MET 1 HA MET 1 7.871 18.069 -1.243 427 1HB MET 1 2HB MET 1 6.603 19.344 0.410 428 2HB MET 1 1HB MET 1 5.360 18.102 0.445 429 1HG MET 1 2HG MET 1 6.788 17.930 2.382 430 2HG MET 1 1HG MET 1 6.971 16.512 1.353 431 1HE MET 1 1HE MET 1 8.802 17.118 3.634 432 2HE MET 1 2HE MET 1 10.475 17.229 3.086 433 3HE MET 1 3HE MET 1 9.470 15.869 2.585 434 H GLN 2 H GLN 2 8.498 15.999 -0.583 435 HA GLN 2 HA GLN 2 6.793 13.845 -1.611 436 1HB GLN 2 2HB GLN 2 9.028 13.995 -2.598 437 2HB GLN 2 1HB GLN 2 9.755 13.887 -1.001 438 1HG GLN 2 2HG GLN 2 9.902 11.766 -2.150 439 2HG GLN 2 1HG GLN 2 8.853 11.633 -0.739 440 1HE2 GLN 2 1HE2 GLN 2 9.176 10.693 -3.827 441 2HE2 GLN 2 2HE2 GLN 2 7.520 10.454 -4.254 442 H TYR 3 H TYR 3 6.065 12.226 -0.319 443 HA TYR 3 HA TYR 3 7.021 12.171 2.463 444 1HB TYR 3 2HB TYR 3 4.143 11.963 1.554 445 2HB TYR 3 1HB TYR 3 4.704 11.743 3.207 446 HD1 TYR 3 1HD TYR 3 5.106 13.604 4.620 447 HD2 TYR 3 2HD TYR 3 4.346 14.215 0.480 448 HE1 TYR 3 1HE TYR 3 4.863 16.018 5.027 449 HE2 TYR 3 2HE TYR 3 4.104 16.630 0.875 450 HH TYR 3 HH TYR 3 3.777 17.963 3.967 451 H LYS 4 H LYS 4 7.086 10.150 3.448 452 HA LYS 4 HA LYS 4 6.695 7.883 1.607 453 1HB LYS 4 2HB LYS 4 9.043 8.241 2.224 454 2HB LYS 4 1HB LYS 4 8.618 8.132 3.926 455 1HG LYS 4 2HG LYS 4 8.003 5.822 3.680 456 2HG LYS 4 1HG LYS 4 8.242 5.907 1.934 457 1HD LYS 4 2HD LYS 4 10.141 4.838 3.046 458 2HD LYS 4 1HD LYS 4 10.617 6.349 2.271 459 1HE LYS 4 2HE LYS 4 10.471 7.491 4.439 460 2HE LYS 4 1HE LYS 4 10.020 5.967 5.204 461 1HZ LYS 4 1HZ LYS 4 12.141 5.386 5.346 462 2HZ LYS 4 2HZ LYS 4 12.569 6.935 4.819 463 3HZ LYS 4 3HZ LYS 4 12.413 5.677 3.700 464 H VAL 5 H VAL 5 4.885 6.841 2.068 465 HA VAL 5 HA VAL 5 3.910 6.770 4.814 466 HB VAL 5 HB VAL 5 2.593 5.812 2.270 467 1HG1 VAL 5 1HG1 VAL 5 0.761 5.192 3.446 468 2HG1 VAL 5 2HG1 VAL 5 1.016 6.405 4.697 469 3HG1 VAL 5 3HG1 VAL 5 1.961 4.918 4.708 470 1HG2 VAL 5 1HG2 VAL 5 2.749 8.428 3.597 471 2HG2 VAL 5 2HG2 VAL 5 1.130 7.924 3.106 472 3HG2 VAL 5 3HG2 VAL 5 2.424 8.024 1.911 473 H ILE 6 H ILE 6 3.946 5.055 6.064 474 HA ILE 6 HA ILE 6 5.096 2.572 5.005 475 HB ILE 6 HB ILE 6 4.887 3.606 7.834 476 1HG1 ILE 6 2HG1 ILE 6 7.280 2.974 6.097 477 2HG1 ILE 6 1HG1 ILE 6 6.646 4.588 6.384 478 1HG2 ILE 6 1HG2 ILE 6 4.779 1.426 8.390 479 2HG2 ILE 6 2HG2 ILE 6 6.505 1.451 8.030 480 3HG2 ILE 6 3HG2 ILE 6 5.360 0.886 6.815 481 1HD1 ILE 6 1HD1 ILE 6 8.590 4.141 7.765 482 2HD1 ILE 6 2HD1 ILE 6 7.783 2.739 8.467 483 3HD1 ILE 6 3HD1 ILE 6 7.151 4.359 8.761 484 H LEU 7 H LEU 7 3.887 0.825 4.771 485 HA LEU 7 HA LEU 7 1.180 0.843 5.911 486 1HB LEU 7 2HB LEU 7 2.116 -0.981 3.714 487 2HB LEU 7 1HB LEU 7 0.485 -0.453 4.083 488 HG LEU 7 HG LEU 7 2.662 1.241 2.874 489 1HD1 LEU 7 1HD1 LEU 7 1.623 -0.446 1.381 490 2HD1 LEU 7 2HD1 LEU 7 1.324 1.217 0.887 491 3HD1 LEU 7 3HD1 LEU 7 0.057 0.296 1.694 492 1HD2 LEU 7 1HD2 LEU 7 1.037 3.007 2.752 493 2HD2 LEU 7 2HD2 LEU 7 1.182 2.482 4.428 494 3HD2 LEU 7 3HD2 LEU 7 -0.203 1.974 3.463 495 H ASN 8 H ASN 8 1.818 0.068 7.961 496 HA ASN 8 HA ASN 8 3.128 -2.518 8.140 497 1HB ASN 8 2HB ASN 8 2.250 -0.505 10.199 498 2HB ASN 8 1HB ASN 8 2.840 -2.099 10.647 499 1HD2 ASN 8 1HD2 ASN 8 4.506 -1.380 7.930 500 2HD2 ASN 8 2HD2 ASN 8 5.890 -0.629 8.627 501 H GLY 9 H GLY 9 1.825 -4.166 7.624 502 1HA GLY 9 2HA GLY 9 -0.751 -4.367 9.060 503 2HA GLY 9 1HA GLY 9 -0.496 -5.007 7.445 504 H LYS 10 H LYS 10 -1.358 -6.370 9.888 505 HA LYS 10 HA LYS 10 0.470 -7.869 11.201 506 1HB LYS 10 2HB LYS 10 -2.134 -8.878 10.052 507 2HB LYS 10 1HB LYS 10 -1.235 -9.639 11.356 508 1HG LYS 10 2HG LYS 10 -1.584 -7.684 12.760 509 2HG LYS 10 1HG LYS 10 -2.453 -6.886 11.448 510 1HD LYS 10 2HD LYS 10 -3.277 -9.467 12.777 511 2HD LYS 10 1HD LYS 10 -3.976 -7.880 13.105 512 1HE LYS 10 2HE LYS 10 -4.675 -7.727 10.750 513 2HE LYS 10 1HE LYS 10 -4.021 -9.339 10.464 514 1HZ LYS 10 1HZ LYS 10 -6.377 -8.557 12.057 515 2HZ LYS 10 2HZ LYS 10 -5.590 -10.024 12.356 516 3HZ LYS 10 3HZ LYS 10 -6.258 -9.719 10.833 517 H THR 11 H THR 11 -1.011 -8.862 8.110 518 HA THR 11 HA THR 11 1.087 -10.850 7.740 519 HB THR 11 HB THR 11 -0.464 -11.482 5.780 520 HG1 THR 11 1HG THR 11 -2.340 -10.009 7.283 521 1HG2 THR 11 1HG2 THR 11 -1.617 -12.975 7.056 522 2HG2 THR 11 2HG2 THR 11 -1.943 -11.802 8.331 523 3HG2 THR 11 3HG2 THR 11 -0.342 -12.525 8.187 524 H LEU 12 H LEU 12 0.520 -7.692 6.866 525 HA LEU 12 HA LEU 12 2.284 -7.983 4.546 526 1HB LEU 12 2HB LEU 12 0.017 -7.708 3.695 527 2HB LEU 12 1HB LEU 12 -0.193 -6.265 4.669 528 HG LEU 12 HG LEU 12 1.315 -5.028 3.334 529 1HD1 LEU 12 1HD1 LEU 12 2.339 -7.660 2.688 530 2HD1 LEU 12 2HD1 LEU 12 3.139 -6.095 2.636 531 3HD1 LEU 12 3HD1 LEU 12 2.166 -6.638 1.266 532 1HD2 LEU 12 1HD2 LEU 12 0.107 -6.482 1.095 533 2HD2 LEU 12 2HD2 LEU 12 -0.036 -4.787 1.558 534 3HD2 LEU 12 3HD2 LEU 12 -1.021 -6.007 2.362 535 H LYS 13 H LYS 13 3.883 -6.505 4.401 536 HA LYS 13 HA LYS 13 3.750 -4.073 6.004 537 1HB LYS 13 2HB LYS 13 5.973 -6.104 6.292 538 2HB LYS 13 1HB LYS 13 5.985 -4.490 6.992 539 1HG LYS 13 2HG LYS 13 4.037 -5.055 8.346 540 2HG LYS 13 1HG LYS 13 4.009 -6.670 7.636 541 1HD LYS 13 2HD LYS 13 6.266 -5.500 9.266 542 2HD LYS 13 1HD LYS 13 5.075 -6.669 9.844 543 1HE LYS 13 2HE LYS 13 5.854 -8.279 8.167 544 2HE LYS 13 1HE LYS 13 7.047 -7.110 7.604 545 1HZ LYS 13 1HZ LYS 13 8.287 -8.365 9.037 546 2HZ LYS 13 2HZ LYS 13 7.001 -8.662 10.094 547 3HZ LYS 13 3HZ LYS 13 7.763 -7.152 10.093 548 H GLY 14 H GLY 14 5.041 -2.392 5.216 549 1HA GLY 14 2HA GLY 14 7.117 -2.709 3.347 550 2HA GLY 14 1HA GLY 14 5.620 -2.462 2.470 551 H GLU 15 H GLU 15 6.958 -0.608 1.710 552 HA GLU 15 HA GLU 15 6.249 1.748 3.274 553 1HB GLU 15 2HB GLU 15 9.032 1.272 2.187 554 2HB GLU 15 1HB GLU 15 8.465 2.775 2.897 555 1HG GLU 15 2HG GLU 15 9.681 1.734 4.588 556 2HG GLU 15 1HG GLU 15 7.996 1.429 4.997 557 H THR 16 H THR 16 5.694 3.485 2.051 558 HA THR 16 HA THR 16 6.140 3.356 -0.834 559 HB THR 16 HB THR 16 3.995 2.495 -0.846 560 HG1 THR 16 1HG THR 16 3.461 5.248 -0.747 561 1HG2 THR 16 1HG2 THR 16 3.421 2.515 1.457 562 2HG2 THR 16 2HG2 THR 16 2.138 3.342 0.571 563 3HG2 THR 16 3HG2 THR 16 3.329 4.276 1.474 564 H THR 17 H THR 17 5.443 5.494 -1.915 565 HA THR 17 HA THR 17 5.729 7.771 -0.109 566 HB THR 17 HB THR 17 7.511 8.748 -1.536 567 HG1 THR 17 1HG THR 17 7.008 7.344 -3.367 568 1HG2 THR 17 1HG2 THR 17 9.349 7.199 -0.857 569 2HG2 THR 17 2HG2 THR 17 8.108 6.112 -0.234 570 3HG2 THR 17 3HG2 THR 17 8.289 7.728 0.448 571 H THR 18 H THR 18 4.249 9.208 -0.550 572 HA THR 18 HA THR 18 3.211 9.488 -3.311 573 HB THR 18 HB THR 18 1.528 8.866 -1.607 574 HG1 THR 18 1HG THR 18 0.982 10.285 -3.362 575 1HG2 THR 18 1HG2 THR 18 0.853 10.813 -0.046 576 2HG2 THR 18 2HG2 THR 18 2.541 11.297 -0.216 577 3HG2 THR 18 3HG2 THR 18 2.141 9.711 0.440 578 H GLU 19 H GLU 19 3.125 11.536 -4.239 579 HA GLU 19 HA GLU 19 4.747 13.586 -2.886 580 1HB GLU 19 2HB GLU 19 5.584 12.854 -5.072 581 2HB GLU 19 1HB GLU 19 4.044 13.266 -5.813 582 1HG GLU 19 2HG GLU 19 4.405 15.617 -5.253 583 2HG GLU 19 1HG GLU 19 5.951 15.200 -4.518 584 H ALA 20 H ALA 20 3.605 15.160 -1.904 585 HA ALA 20 HA ALA 20 1.346 16.334 -3.314 586 1HB ALA 20 1HB ALA 20 0.758 14.408 -1.566 587 2HB ALA 20 2HB ALA 20 -0.274 15.815 -1.822 588 3HB ALA 20 3HB ALA 20 0.841 15.774 -0.455 589 H VAL 21 H VAL 21 0.821 18.404 -2.678 590 HA VAL 21 HA VAL 21 2.845 20.137 -2.014 591 HB VAL 21 HB VAL 21 -0.062 20.653 -1.394 592 1HG1 VAL 21 1HG1 VAL 21 0.448 22.834 -1.203 593 2HG1 VAL 21 2HG1 VAL 21 1.653 22.773 -2.488 594 3HG1 VAL 21 3HG1 VAL 21 2.069 22.232 -0.861 595 1HG2 VAL 21 1HG2 VAL 21 1.405 20.520 -3.987 596 2HG2 VAL 21 2HG2 VAL 21 0.106 21.695 -3.790 597 3HG2 VAL 21 3HG2 VAL 21 -0.222 19.974 -3.584 598 H ASP 22 H ASP 22 0.578 18.567 0.173 599 HA ASP 22 HA ASP 22 2.327 19.258 2.402 600 1HB ASP 22 2HB ASP 22 0.548 20.117 3.810 601 2HB ASP 22 1HB ASP 22 0.650 21.072 2.337 602 H ALA 23 H ALA 23 1.492 18.168 4.491 603 HA ALA 23 HA ALA 23 1.473 15.416 4.073 604 1HB ALA 23 1HB ALA 23 0.675 15.390 6.537 605 2HB ALA 23 2HB ALA 23 0.893 17.138 6.446 606 3HB ALA 23 3HB ALA 23 2.260 16.061 6.152 607 H ALA 24 H ALA 24 -1.207 17.617 4.760 608 HA ALA 24 HA ALA 24 -3.200 15.641 5.008 609 1HB ALA 24 1HB ALA 24 -4.611 17.738 4.061 610 2HB ALA 24 2HB ALA 24 -3.145 18.564 4.592 611 3HB ALA 24 3HB ALA 24 -4.076 17.597 5.738 612 H THR 25 H THR 25 -2.338 17.688 2.213 613 HA THR 25 HA THR 25 -4.019 16.554 0.335 614 HB THR 25 HB THR 25 -2.351 17.314 -1.337 615 HG1 THR 25 1HG THR 25 -0.367 17.532 -0.812 616 1HG2 THR 25 1HG2 THR 25 -3.115 19.136 0.882 617 2HG2 THR 25 2HG2 THR 25 -3.663 19.112 -0.794 618 3HG2 THR 25 3HG2 THR 25 -2.051 19.712 -0.401 619 H ALA 26 H ALA 26 -0.755 15.599 1.329 620 HA ALA 26 HA ALA 26 -0.456 13.403 -0.402 621 1HB ALA 26 1HB ALA 26 1.550 13.755 0.579 622 2HB ALA 26 2HB ALA 26 0.944 12.622 1.787 623 3HB ALA 26 3HB ALA 26 0.829 14.359 2.069 624 H GLU 27 H GLU 27 -1.551 13.552 2.994 625 HA GLU 27 HA GLU 27 -2.230 10.938 3.420 626 1HB GLU 27 2HB GLU 27 -2.317 12.536 5.201 627 2HB GLU 27 1HB GLU 27 -3.544 13.480 4.370 628 1HG GLU 27 2HG GLU 27 -4.447 12.198 6.244 629 2HG GLU 27 1HG GLU 27 -5.172 11.741 4.704 630 H LYS 28 H LYS 28 -4.257 13.489 2.005 631 HA LYS 28 HA LYS 28 -6.514 11.857 1.551 632 1HB LYS 28 2HB LYS 28 -5.648 14.367 0.096 633 2HB LYS 28 1HB LYS 28 -7.251 13.646 0.023 634 1HG LYS 28 2HG LYS 28 -5.917 14.883 2.416 635 2HG LYS 28 1HG LYS 28 -7.326 15.483 1.541 636 1HD LYS 28 2HD LYS 28 -8.594 13.513 2.226 637 2HD LYS 28 1HD LYS 28 -7.181 12.893 3.083 638 1HE LYS 28 2HE LYS 28 -8.750 13.959 4.623 639 2HE LYS 28 1HE LYS 28 -7.218 14.832 4.565 640 1HZ LYS 28 1HZ LYS 28 -8.158 16.592 3.467 641 2HZ LYS 28 2HZ LYS 28 -9.456 16.115 4.442 642 3HZ LYS 28 3HZ LYS 28 -9.419 15.675 2.809 643 H VAL 29 H VAL 29 -3.792 12.792 -0.523 644 HA VAL 29 HA VAL 29 -4.647 11.478 -2.845 645 HB VAL 29 HB VAL 29 -1.812 11.976 -1.913 646 1HG1 VAL 29 1HG1 VAL 29 -2.214 10.275 -3.796 647 2HG1 VAL 29 2HG1 VAL 29 -1.063 11.576 -4.085 648 3HG1 VAL 29 3HG1 VAL 29 -2.685 11.670 -4.767 649 1HG2 VAL 29 1HG2 VAL 29 -1.989 14.107 -2.581 650 2HG2 VAL 29 2HG2 VAL 29 -3.728 13.852 -2.441 651 3HG2 VAL 29 3HG2 VAL 29 -2.934 13.683 -4.008 652 H VAL 30 H VAL 30 -2.796 10.360 -0.061 653 HA VAL 30 HA VAL 30 -2.204 7.782 -1.100 654 HB VAL 30 HB VAL 30 -2.477 8.601 1.798 655 1HG1 VAL 30 1HG1 VAL 30 -0.749 6.408 0.691 656 2HG1 VAL 30 2HG1 VAL 30 -2.424 6.121 1.152 657 3HG1 VAL 30 3HG1 VAL 30 -1.261 6.673 2.356 658 1HG2 VAL 30 1HG2 VAL 30 -0.753 9.710 0.014 659 2HG2 VAL 30 2HG2 VAL 30 0.204 8.366 0.637 660 3HG2 VAL 30 3HG2 VAL 30 -0.453 9.571 1.746 661 H LYS 31 H LYS 31 -4.750 9.010 1.102 662 HA LYS 31 HA LYS 31 -6.129 6.675 1.561 663 1HB LYS 31 2HB LYS 31 -7.143 9.488 1.209 664 2HB LYS 31 1HB LYS 31 -8.201 8.153 1.639 665 1HG LYS 31 2HG LYS 31 -6.930 7.749 3.657 666 2HG LYS 31 1HG LYS 31 -5.798 9.029 3.223 667 1HD LYS 31 2HD LYS 31 -7.347 9.876 4.856 668 2HD LYS 31 1HD LYS 31 -7.678 10.647 3.304 669 1HE LYS 31 2HE LYS 31 -9.177 8.236 4.311 670 2HE LYS 31 1HE LYS 31 -9.696 9.893 4.618 671 1HZ LYS 31 1HZ LYS 31 -9.268 9.810 1.921 672 2HZ LYS 31 2HZ LYS 31 -10.770 9.749 2.693 673 3HZ LYS 31 3HZ LYS 31 -9.988 8.315 2.254 674 H GLN 32 H GLN 32 -6.353 8.856 -1.191 675 HA GLN 32 HA GLN 32 -8.423 7.527 -2.563 676 1HB GLN 32 2HB GLN 32 -7.592 9.795 -3.157 677 2HB GLN 32 1HB GLN 32 -6.106 9.070 -3.753 678 1HG GLN 32 2HG GLN 32 -7.528 9.564 -5.606 679 2HG GLN 32 1HG GLN 32 -7.416 7.818 -5.419 680 1HE2 GLN 32 1HE2 GLN 32 -9.386 9.125 -3.015 681 2HE2 GLN 32 2HE2 GLN 32 -10.912 8.830 -3.760 682 H PHE 33 H PHE 33 -4.971 7.029 -2.394 683 HA PHE 33 HA PHE 33 -4.547 5.242 -4.470 684 1HB PHE 33 2HB PHE 33 -2.836 6.292 -2.893 685 2HB PHE 33 1HB PHE 33 -3.262 5.034 -1.739 686 HD1 PHE 33 1HD PHE 33 -2.432 5.211 -5.374 687 HD2 PHE 33 2HD PHE 33 -1.767 3.309 -1.608 688 HE1 PHE 33 1HE PHE 33 -0.827 3.667 -6.422 689 HE2 PHE 33 2HE PHE 33 -0.149 1.788 -2.666 690 HZ PHE 33 HZ PHE 33 0.320 1.973 -5.078 691 H PHE 34 H PHE 34 -5.033 4.379 -1.070 692 HA PHE 34 HA PHE 34 -5.597 1.640 -1.608 693 1HB PHE 34 2HB PHE 34 -6.191 3.245 0.884 694 2HB PHE 34 1HB PHE 34 -6.187 1.484 0.764 695 HD1 PHE 34 1HD PHE 34 -3.845 0.945 -0.843 696 HD2 PHE 34 2HD PHE 34 -4.411 3.803 2.250 697 HE1 PHE 34 1HE PHE 34 -1.431 0.933 -0.403 698 HE2 PHE 34 2HE PHE 34 -1.994 3.797 2.704 699 HZ PHE 34 HZ PHE 34 -0.507 2.362 1.364 700 H ASN 35 H ASN 35 -7.603 4.465 -1.023 701 HA ASN 35 HA ASN 35 -10.118 3.330 -0.784 702 1HB ASN 35 2HB ASN 35 -9.665 5.745 -0.594 703 2HB ASN 35 1HB ASN 35 -9.319 5.822 -2.317 704 1HD2 ASN 35 1HD2 ASN 35 -11.459 6.789 -0.275 705 2HD2 ASN 35 2HD2 ASN 35 -12.929 6.590 -1.159 706 H ASP 36 H ASP 36 -8.144 3.945 -3.600 707 HA ASP 36 HA ASP 36 -10.142 2.830 -5.414 708 1HB ASP 36 2HB ASP 36 -7.467 4.113 -5.994 709 2HB ASP 36 1HB ASP 36 -8.620 3.580 -7.213 710 H ASN 37 H ASN 37 -7.115 1.898 -3.926 711 HA ASN 37 HA ASN 37 -6.600 -0.230 -5.807 712 1HB ASN 37 2HB ASN 37 -5.455 0.291 -3.051 713 2HB ASN 37 1HB ASN 37 -4.927 -1.003 -4.117 714 1HD2 ASN 37 1HD2 ASN 37 -3.698 1.545 -2.957 715 2HD2 ASN 37 2HD2 ASN 37 -2.943 2.271 -4.332 716 H GLY 38 H GLY 38 -7.917 0.113 -2.596 717 1HA GLY 38 2HA GLY 38 -8.445 -1.890 -1.243 718 2HA GLY 38 1HA GLY 38 -9.869 -1.163 -1.951 719 H VAL 39 H VAL 39 -11.217 -2.529 -2.792 720 HA VAL 39 HA VAL 39 -10.443 -5.253 -3.222 721 HB VAL 39 HB VAL 39 -13.098 -3.871 -3.355 722 1HG1 VAL 39 1HG1 VAL 39 -13.761 -6.476 -3.176 723 2HG1 VAL 39 2HG1 VAL 39 -12.329 -6.597 -4.197 724 3HG1 VAL 39 3HG1 VAL 39 -13.689 -5.597 -4.705 725 1HG2 VAL 39 1HG2 VAL 39 -13.311 -4.372 -1.195 726 2HG2 VAL 39 2HG2 VAL 39 -11.569 -4.645 -1.217 727 3HG2 VAL 39 3HG2 VAL 39 -12.677 -6.002 -1.420 728 H ASP 40 H ASP 40 -12.074 -2.904 -5.441 729 HA ASP 40 HA ASP 40 -11.651 -4.773 -7.599 730 1HB ASP 40 2HB ASP 40 -12.953 -2.051 -7.557 731 2HB ASP 40 1HB ASP 40 -12.928 -3.139 -8.942 732 H GLY 41 H GLY 41 -9.272 -3.343 -6.409 733 1HA GLY 41 2HA GLY 41 -8.401 -1.441 -8.351 734 2HA GLY 41 1HA GLY 41 -7.384 -2.242 -7.163 735 H GLU 42 H GLU 42 -6.584 -1.712 -9.836 736 HA GLU 42 HA GLU 42 -6.756 -4.263 -11.242 737 1HB GLU 42 2HB GLU 42 -5.348 -1.692 -11.997 738 2HB GLU 42 1HB GLU 42 -5.497 -3.109 -13.026 739 1HG GLU 42 2HG GLU 42 -7.772 -1.419 -12.011 740 2HG GLU 42 1HG GLU 42 -7.098 -1.387 -13.639 741 H TRP 43 H TRP 43 -5.510 -5.745 -10.167 742 HA TRP 43 HA TRP 43 -2.777 -4.998 -9.433 743 1HB TRP 43 2HB TRP 43 -4.326 -7.499 -8.765 744 2HB TRP 43 1HB TRP 43 -2.760 -7.043 -8.113 745 HD1 TRP 43 HD TRP 43 -5.754 -4.616 -8.337 746 HE1 TRP 43 1HE TRP 43 -6.423 -3.958 -5.937 747 HE3 TRP 43 3HE TRP 43 -2.609 -7.692 -5.767 748 HZ2 TRP 43 2HZ TRP 43 -5.697 -4.656 -3.304 749 HZ3 TRP 43 3HZ TRP 43 -2.650 -7.641 -3.318 750 HH2 TRP 43 HH TRP 43 -4.163 -6.154 -2.104 751 H THR 44 H THR 44 -1.136 -5.517 -10.710 752 HA THR 44 HA THR 44 -1.432 -7.758 -12.591 753 HB THR 44 HB THR 44 0.508 -6.740 -13.776 754 HG1 THR 44 1HG THR 44 1.250 -5.615 -11.819 755 1HG2 THR 44 1HG2 THR 44 -1.385 -4.477 -13.489 756 2HG2 THR 44 2HG2 THR 44 -2.002 -6.013 -14.099 757 3HG2 THR 44 3HG2 THR 44 -0.684 -5.197 -14.940 758 H TYR 45 H TYR 45 -0.125 -9.533 -12.388 759 HA TYR 45 HA TYR 45 1.792 -9.476 -10.156 760 1HB TYR 45 2HB TYR 45 -0.067 -11.043 -9.862 761 2HB TYR 45 1HB TYR 45 0.342 -11.830 -11.381 762 HD1 TYR 45 1HD TYR 45 2.646 -10.688 -8.692 763 HD2 TYR 45 2HD TYR 45 0.913 -14.001 -10.720 764 HE1 TYR 45 1HE TYR 45 4.159 -12.208 -7.488 765 HE2 TYR 45 2HE TYR 45 2.420 -15.532 -9.521 766 HH TYR 45 HH TYR 45 4.525 -15.506 -8.354 767 H ASP 46 H ASP 46 3.851 -10.220 -10.377 768 HA ASP 46 HA ASP 46 4.701 -11.004 -13.085 769 1HB ASP 46 2HB ASP 46 5.429 -8.706 -12.599 770 2HB ASP 46 1HB ASP 46 6.212 -9.260 -11.122 771 H ASP 47 H ASP 47 4.447 -13.193 -12.353 772 HA ASP 47 HA ASP 47 5.499 -14.410 -10.149 773 1HB ASP 47 2HB ASP 47 5.456 -15.509 -12.966 774 2HB ASP 47 1HB ASP 47 5.660 -16.472 -11.505 775 H ALA 48 H ALA 48 7.231 -13.372 -13.018 776 HA ALA 48 HA ALA 48 9.611 -14.716 -12.794 777 1HB ALA 48 1HB ALA 48 8.966 -13.130 -14.605 778 2HB ALA 48 2HB ALA 48 10.626 -12.952 -14.040 779 3HB ALA 48 3HB ALA 48 9.390 -11.804 -13.523 780 H THR 49 H THR 49 8.491 -12.031 -10.828 781 HA THR 49 HA THR 49 10.929 -12.324 -9.199 782 HB THR 49 HB THR 49 10.816 -9.907 -8.698 783 HG1 THR 49 1HG THR 49 9.451 -8.616 -9.982 784 1HG2 THR 49 1HG2 THR 49 11.857 -9.135 -10.598 785 2HG2 THR 49 2HG2 THR 49 10.839 -10.093 -11.673 786 3HG2 THR 49 3HG2 THR 49 12.098 -10.879 -10.719 787 H LYS 50 H LYS 50 7.900 -13.164 -9.116 788 HA LYS 50 HA LYS 50 6.291 -13.469 -7.512 789 1HB LYS 50 2HB LYS 50 8.724 -13.119 -5.752 790 2HB LYS 50 1HB LYS 50 7.155 -13.637 -5.153 791 1HG LYS 50 2HG LYS 50 8.735 -15.105 -7.251 792 2HG LYS 50 1HG LYS 50 8.760 -15.485 -5.528 793 1HD LYS 50 2HD LYS 50 6.287 -15.803 -5.643 794 2HD LYS 50 1HD LYS 50 6.397 -15.614 -7.394 795 1HE LYS 50 2HE LYS 50 7.796 -17.723 -5.751 796 2HE LYS 50 1HE LYS 50 6.355 -17.974 -6.735 797 1HZ LYS 50 1HZ LYS 50 9.131 -17.614 -7.562 798 2HZ LYS 50 2HZ LYS 50 7.937 -16.966 -8.568 799 3HZ LYS 50 3HZ LYS 50 7.932 -18.618 -8.207 800 H THR 51 H THR 51 6.748 -10.768 -8.489 801 HA THR 51 HA THR 51 5.994 -9.191 -6.125 802 HB THR 51 HB THR 51 7.180 -8.303 -8.760 803 HG1 THR 51 1HG THR 51 8.558 -9.357 -7.142 804 1HG2 THR 51 1HG2 THR 51 7.528 -6.223 -7.061 805 2HG2 THR 51 2HG2 THR 51 5.912 -6.774 -6.619 806 3HG2 THR 51 3HG2 THR 51 6.266 -6.327 -8.287 807 H PHE 52 H PHE 52 4.088 -8.122 -6.056 808 HA PHE 52 HA PHE 52 2.309 -8.459 -8.378 809 1HB PHE 52 2HB PHE 52 1.572 -8.010 -5.490 810 2HB PHE 52 1HB PHE 52 0.443 -8.220 -6.822 811 HD1 PHE 52 1HD PHE 52 -0.485 -10.294 -7.083 812 HD2 PHE 52 2HD PHE 52 3.374 -9.980 -5.319 813 HE1 PHE 52 1HE PHE 52 -0.462 -12.725 -6.713 814 HE2 PHE 52 2HE PHE 52 3.406 -12.411 -4.948 815 HZ PHE 52 HZ PHE 52 1.486 -13.786 -5.644 816 H THR 53 H THR 53 2.732 -6.679 -9.504 817 HA THR 53 HA THR 53 2.848 -4.059 -8.340 818 HB THR 53 HB THR 53 2.630 -3.349 -10.840 819 HG1 THR 53 1HG THR 53 3.072 -4.917 -12.290 820 1HG2 THR 53 1HG2 THR 53 4.705 -2.966 -9.970 821 2HG2 THR 53 2HG2 THR 53 5.058 -4.164 -11.220 822 3HG2 THR 53 3HG2 THR 53 4.956 -4.658 -9.530 823 H VAL 54 H VAL 54 1.323 -2.692 -7.909 824 HA VAL 54 HA VAL 54 -1.369 -3.132 -9.029 825 HB VAL 54 HB VAL 54 -0.672 -1.965 -6.317 826 1HG1 VAL 54 1HG1 VAL 54 -3.161 -2.078 -7.900 827 2HG1 VAL 54 2HG1 VAL 54 -2.652 -0.932 -6.660 828 3HG1 VAL 54 3HG1 VAL 54 -3.304 -2.502 -6.194 829 1HG2 VAL 54 1HG2 VAL 54 -0.292 -4.306 -6.224 830 2HG2 VAL 54 2HG2 VAL 54 -1.766 -4.651 -7.129 831 3HG2 VAL 54 3HG2 VAL 54 -1.867 -4.019 -5.485 832 H THR 55 H THR 55 -2.027 -1.531 -10.325 833 HA THR 55 HA THR 55 -0.784 1.111 -9.969 834 HB THR 55 HB THR 55 -1.828 -0.022 -12.562 835 HG1 THR 55 1HG THR 55 0.777 0.015 -11.457 836 1HG2 THR 55 1HG2 THR 55 -0.720 1.751 -13.647 837 2HG2 THR 55 2HG2 THR 55 0.088 2.254 -12.160 838 3HG2 THR 55 3HG2 THR 55 -1.653 2.478 -12.338 839 H GLU 56 H GLU 56 -2.051 2.798 -9.581 840 HA GLU 56 HA GLU 56 -4.844 2.433 -9.201 841 1HB GLU 56 2HB GLU 56 -3.542 4.004 -7.851 842 2HB GLU 56 1HB GLU 56 -3.202 4.970 -9.279 843 1HG GLU 56 2HG GLU 56 -5.585 5.463 -9.511 844 2HG GLU 56 1HG GLU 56 -5.921 4.498 -8.074 Start of MODEL 26 1 1H MET 1 1HT MET 1 4.643 -18.473 2.314 2 2H MET 1 2HT MET 1 5.264 -19.915 1.684 3 3H MET 1 3HT MET 1 4.236 -18.955 0.744 4 HA MET 1 HA MET 1 7.054 -18.530 1.449 5 1HB MET 1 2HB MET 1 6.345 -19.599 -0.688 6 2HB MET 1 1HB MET 1 5.463 -18.136 -1.098 7 1HG MET 1 2HG MET 1 7.483 -16.872 -1.228 8 2HG MET 1 1HG MET 1 8.426 -18.221 -0.598 9 1HE MET 1 1HE MET 1 5.522 -18.682 -3.381 10 2HE MET 1 2HE MET 1 6.445 -18.063 -4.749 11 3HE MET 1 3HE MET 1 6.088 -17.011 -3.379 12 H GLN 2 H GLN 2 7.917 -16.382 0.628 13 HA GLN 2 HA GLN 2 6.205 -14.242 1.660 14 1HB GLN 2 2HB GLN 2 8.417 -14.463 2.698 15 2HB GLN 2 1HB GLN 2 9.184 -14.291 1.125 16 1HG GLN 2 2HG GLN 2 8.304 -12.023 0.938 17 2HG GLN 2 1HG GLN 2 7.526 -12.194 2.509 18 1HE2 GLN 2 1HE2 GLN 2 10.368 -13.843 2.746 19 2HE2 GLN 2 2HE2 GLN 2 11.372 -12.590 3.376 20 H TYR 3 H TYR 3 5.562 -12.546 0.410 21 HA TYR 3 HA TYR 3 6.531 -12.498 -2.369 22 1HB TYR 3 2HB TYR 3 3.680 -12.089 -1.447 23 2HB TYR 3 1HB TYR 3 4.251 -11.928 -3.104 24 HD1 TYR 3 1HD TYR 3 4.154 -13.764 -4.523 25 HD2 TYR 3 2HD TYR 3 4.094 -14.403 -0.317 26 HE1 TYR 3 1HE TYR 3 3.749 -16.160 -4.899 27 HE2 TYR 3 2HE TYR 3 3.691 -16.801 -0.680 28 HH TYR 3 HH TYR 3 3.864 -18.476 -2.311 29 H LYS 4 H LYS 4 6.795 -10.514 -3.318 30 HA LYS 4 HA LYS 4 6.602 -8.212 -1.493 31 1HB LYS 4 2HB LYS 4 8.883 -8.801 -2.248 32 2HB LYS 4 1HB LYS 4 8.374 -8.580 -3.917 33 1HG LYS 4 2HG LYS 4 7.922 -6.223 -3.471 34 2HG LYS 4 1HG LYS 4 8.427 -6.444 -1.794 35 1HD LYS 4 2HD LYS 4 10.662 -7.112 -2.577 36 2HD LYS 4 1HD LYS 4 10.148 -6.835 -4.243 37 1HE LYS 4 2HE LYS 4 11.405 -4.930 -3.403 38 2HE LYS 4 1HE LYS 4 9.730 -4.481 -3.719 39 1HZ LYS 4 1HZ LYS 4 10.851 -5.144 -1.049 40 2HZ LYS 4 2HZ LYS 4 9.260 -4.663 -1.367 41 3HZ LYS 4 3HZ LYS 4 10.536 -3.581 -1.617 42 H VAL 5 H VAL 5 4.821 -7.063 -1.900 43 HA VAL 5 HA VAL 5 3.800 -6.911 -4.630 44 HB VAL 5 HB VAL 5 2.565 -5.907 -2.062 45 1HG1 VAL 5 1HG1 VAL 5 1.046 -6.394 -4.583 46 2HG1 VAL 5 2HG1 VAL 5 1.929 -4.882 -4.381 47 3HG1 VAL 5 3HG1 VAL 5 0.668 -5.327 -3.233 48 1HG2 VAL 5 1HG2 VAL 5 0.994 -7.952 -2.911 49 2HG2 VAL 5 2HG2 VAL 5 2.263 -8.099 -1.694 50 3HG2 VAL 5 3HG2 VAL 5 2.596 -8.529 -3.371 51 H ILE 6 H ILE 6 3.727 -5.095 -5.822 52 HA ILE 6 HA ILE 6 5.043 -2.715 -4.693 53 HB ILE 6 HB ILE 6 4.859 -3.640 -7.565 54 1HG1 ILE 6 2HG1 ILE 6 7.240 -3.212 -5.748 55 2HG1 ILE 6 1HG1 ILE 6 6.534 -4.775 -6.135 56 1HG2 ILE 6 1HG2 ILE 6 6.346 -1.649 -8.009 57 2HG2 ILE 6 2HG2 ILE 6 5.894 -1.061 -6.408 58 3HG2 ILE 6 3HG2 ILE 6 4.659 -1.279 -7.648 59 1HD1 ILE 6 1HD1 ILE 6 7.116 -4.471 -8.475 60 2HD1 ILE 6 2HD1 ILE 6 8.539 -4.337 -7.443 61 3HD1 ILE 6 3HD1 ILE 6 7.790 -2.884 -8.106 62 H LEU 7 H LEU 7 3.877 -0.952 -4.432 63 HA LEU 7 HA LEU 7 1.196 -0.862 -5.623 64 1HB LEU 7 2HB LEU 7 2.178 0.958 -3.445 65 2HB LEU 7 1HB LEU 7 0.531 0.490 -3.827 66 HG LEU 7 HG LEU 7 2.634 -1.218 -2.514 67 1HD1 LEU 7 1HD1 LEU 7 -0.049 -0.294 -1.505 68 2HD1 LEU 7 2HD1 LEU 7 1.483 0.489 -1.121 69 3HD1 LEU 7 3HD1 LEU 7 1.190 -1.173 -0.608 70 1HD2 LEU 7 1HD2 LEU 7 1.246 -2.474 -4.155 71 2HD2 LEU 7 2HD2 LEU 7 -0.185 -1.996 -3.245 72 3HD2 LEU 7 3HD2 LEU 7 1.047 -3.009 -2.487 73 H ASN 8 H ASN 8 1.996 -0.200 -7.671 74 HA ASN 8 HA ASN 8 3.343 2.368 -7.869 75 1HB ASN 8 2HB ASN 8 3.970 0.363 -9.257 76 2HB ASN 8 1HB ASN 8 2.427 0.525 -10.083 77 1HD2 ASN 8 1HD2 ASN 8 5.525 1.030 -10.504 78 2HD2 ASN 8 2HD2 ASN 8 5.513 2.452 -11.486 79 H GLY 9 H GLY 9 2.080 4.127 -7.696 80 1HA GLY 9 2HA GLY 9 -0.498 4.095 -9.142 81 2HA GLY 9 1HA GLY 9 -0.223 5.011 -7.670 82 H LYS 10 H LYS 10 -1.122 6.721 -9.156 83 HA LYS 10 HA LYS 10 0.687 7.724 -11.160 84 1HB LYS 10 2HB LYS 10 -1.882 8.826 -10.015 85 2HB LYS 10 1HB LYS 10 -0.956 9.632 -11.274 86 1HG LYS 10 2HG LYS 10 -1.261 7.685 -12.732 87 2HG LYS 10 1HG LYS 10 -2.212 6.901 -11.470 88 1HD LYS 10 2HD LYS 10 -3.881 8.643 -11.589 89 2HD LYS 10 1HD LYS 10 -2.902 9.549 -12.745 90 1HE LYS 10 2HE LYS 10 -4.699 8.352 -13.874 91 2HE LYS 10 1HE LYS 10 -3.125 7.730 -14.361 92 1HZ LYS 10 1HZ LYS 10 -3.839 5.728 -13.794 93 2HZ LYS 10 2HZ LYS 10 -5.285 6.351 -13.174 94 3HZ LYS 10 3HZ LYS 10 -3.925 6.225 -12.178 95 H THR 11 H THR 11 -0.558 8.918 -8.045 96 HA THR 11 HA THR 11 1.688 10.787 -7.888 97 HB THR 11 HB THR 11 0.269 11.733 -5.981 98 HG1 THR 11 1HG THR 11 -1.774 10.229 -7.223 99 1HG2 THR 11 1HG2 THR 11 -0.275 11.925 -8.852 100 2HG2 THR 11 2HG2 THR 11 -0.015 13.192 -7.652 101 3HG2 THR 11 3HG2 THR 11 -1.598 12.431 -7.804 102 H LEU 12 H LEU 12 0.995 7.731 -6.943 103 HA LEU 12 HA LEU 12 2.707 7.984 -4.588 104 1HB LEU 12 2HB LEU 12 0.413 7.887 -3.784 105 2HB LEU 12 1HB LEU 12 0.130 6.424 -4.707 106 HG LEU 12 HG LEU 12 1.597 5.165 -3.301 107 1HD1 LEU 12 1HD1 LEU 12 2.346 6.819 -1.221 108 2HD1 LEU 12 2HD1 LEU 12 2.621 7.793 -2.661 109 3HD1 LEU 12 3HD1 LEU 12 3.389 6.220 -2.512 110 1HD2 LEU 12 1HD2 LEU 12 0.345 6.581 -1.098 111 2HD2 LEU 12 2HD2 LEU 12 0.076 4.942 -1.690 112 3HD2 LEU 12 3HD2 LEU 12 -0.764 6.297 -2.439 113 H LYS 13 H LYS 13 4.183 6.419 -4.324 114 HA LYS 13 HA LYS 13 4.005 3.952 -5.882 115 1HB LYS 13 2HB LYS 13 6.520 5.624 -5.903 116 2HB LYS 13 1HB LYS 13 6.212 4.146 -6.802 117 1HG LYS 13 2HG LYS 13 5.986 5.757 -8.421 118 2HG LYS 13 1HG LYS 13 4.314 5.520 -7.906 119 1HD LYS 13 2HD LYS 13 4.360 7.497 -6.581 120 2HD LYS 13 1HD LYS 13 6.103 7.664 -6.784 121 1HE LYS 13 2HE LYS 13 4.826 9.229 -8.195 122 2HE LYS 13 1HE LYS 13 5.822 8.120 -9.138 123 1HZ LYS 13 1HZ LYS 13 3.285 8.584 -9.687 124 2HZ LYS 13 2HZ LYS 13 3.079 7.291 -8.616 125 3HZ LYS 13 3HZ LYS 13 4.025 7.098 -10.005 126 H GLY 14 H GLY 14 5.102 2.205 -4.921 127 1HA GLY 14 2HA GLY 14 6.975 2.545 -2.812 128 2HA GLY 14 1HA GLY 14 5.378 2.233 -2.160 129 H GLU 15 H GLU 15 6.907 0.441 -1.334 130 HA GLU 15 HA GLU 15 6.369 -1.923 -2.969 131 1HB GLU 15 2HB GLU 15 9.047 -1.334 -1.693 132 2HB GLU 15 1HB GLU 15 8.612 -2.826 -2.514 133 1HG GLU 15 2HG GLU 15 8.351 -1.623 -4.606 134 2HG GLU 15 1HG GLU 15 8.725 -0.102 -3.794 135 H THR 16 H THR 16 5.673 -3.632 -1.811 136 HA THR 16 HA THR 16 6.022 -3.596 1.096 137 HB THR 16 HB THR 16 3.896 -2.691 1.026 138 HG1 THR 16 1HG THR 16 3.310 -5.434 0.853 139 1HG2 THR 16 1HG2 THR 16 2.084 -3.575 -0.488 140 2HG2 THR 16 2HG2 THR 16 3.369 -4.377 -1.389 141 3HG2 THR 16 3HG2 THR 16 3.354 -2.620 -1.252 142 H THR 17 H THR 17 5.312 -5.727 2.098 143 HA THR 17 HA THR 17 5.557 -7.987 0.261 144 HB THR 17 HB THR 17 7.295 -9.022 1.720 145 HG1 THR 17 1HG THR 17 8.416 -7.629 3.126 146 1HG2 THR 17 1HG2 THR 17 9.180 -7.487 1.042 147 2HG2 THR 17 2HG2 THR 17 7.947 -6.450 0.327 148 3HG2 THR 17 3HG2 THR 17 8.155 -8.100 -0.257 149 H THR 18 H THR 18 4.022 -9.392 0.694 150 HA THR 18 HA THR 18 2.990 -9.640 3.456 151 HB THR 18 HB THR 18 1.351 -8.955 1.702 152 HG1 THR 18 1HG THR 18 0.739 -10.215 3.549 153 1HG2 THR 18 1HG2 THR 18 2.085 -11.596 0.497 154 2HG2 THR 18 2HG2 THR 18 1.984 -10.016 -0.278 155 3HG2 THR 18 3HG2 THR 18 0.513 -10.846 0.228 156 H GLU 19 H GLU 19 2.767 -11.700 4.368 157 HA GLU 19 HA GLU 19 4.337 -13.809 3.039 158 1HB GLU 19 2HB GLU 19 5.215 -13.095 5.204 159 2HB GLU 19 1HB GLU 19 3.661 -13.411 5.962 160 1HG GLU 19 2HG GLU 19 5.228 -15.183 6.451 161 2HG GLU 19 1HG GLU 19 3.900 -15.789 5.464 162 H ALA 20 H ALA 20 3.178 -15.395 2.118 163 HA ALA 20 HA ALA 20 0.881 -16.480 3.537 164 1HB ALA 20 1HB ALA 20 0.537 -15.735 0.654 165 2HB ALA 20 2HB ALA 20 0.128 -14.623 1.959 166 3HB ALA 20 3HB ALA 20 -0.693 -16.178 1.838 167 H VAL 21 H VAL 21 0.297 -18.551 2.926 168 HA VAL 21 HA VAL 21 2.288 -20.341 2.324 169 HB VAL 21 HB VAL 21 -0.620 -20.799 1.670 170 1HG1 VAL 21 1HG1 VAL 21 1.058 -22.497 0.909 171 2HG1 VAL 21 2HG1 VAL 21 -0.174 -23.109 2.012 172 3HG1 VAL 21 3HG1 VAL 21 1.451 -22.771 2.607 173 1HG2 VAL 21 1HG2 VAL 21 -0.554 -21.788 4.070 174 2HG2 VAL 21 2HG2 VAL 21 -0.753 -20.049 3.851 175 3HG2 VAL 21 3HG2 VAL 21 0.824 -20.709 4.285 176 H ASP 22 H ASP 22 0.343 -18.525 0.090 177 HA ASP 22 HA ASP 22 2.026 -19.413 -2.092 178 1HB ASP 22 2HB ASP 22 0.233 -20.169 -3.547 179 2HB ASP 22 1HB ASP 22 0.252 -21.127 -2.071 180 H ALA 23 H ALA 23 1.197 -18.323 -4.234 181 HA ALA 23 HA ALA 23 1.369 -15.563 -3.844 182 1HB ALA 23 1HB ALA 23 0.971 -17.357 -6.135 183 2HB ALA 23 2HB ALA 23 2.062 -15.985 -5.942 184 3HB ALA 23 3HB ALA 23 0.369 -15.714 -6.352 185 H ALA 24 H ALA 24 -1.437 -17.606 -4.512 186 HA ALA 24 HA ALA 24 -3.299 -15.503 -4.770 187 1HB ALA 24 1HB ALA 24 -4.157 -18.114 -3.613 188 2HB ALA 24 2HB ALA 24 -3.500 -18.093 -5.251 189 3HB ALA 24 3HB ALA 24 -4.922 -17.125 -4.856 190 H THR 25 H THR 25 -2.581 -17.606 -1.969 191 HA THR 25 HA THR 25 -4.193 -16.372 -0.103 192 HB THR 25 HB THR 25 -2.525 -17.172 1.575 193 HG1 THR 25 1HG THR 25 -1.016 -17.531 -0.748 194 1HG2 THR 25 1HG2 THR 25 -4.039 -18.848 1.056 195 2HG2 THR 25 2HG2 THR 25 -2.468 -19.604 0.792 196 3HG2 THR 25 3HG2 THR 25 -3.414 -19.033 -0.582 197 H ALA 26 H ALA 26 -0.891 -15.580 -1.113 198 HA ALA 26 HA ALA 26 -0.492 -13.386 0.598 199 1HB ALA 26 1HB ALA 26 1.277 -12.727 -0.932 200 2HB ALA 26 2HB ALA 26 0.637 -13.803 -2.173 201 3HB ALA 26 3HB ALA 26 1.313 -14.473 -0.688 202 H GLU 27 H GLU 27 -1.554 -13.497 -2.816 203 HA GLU 27 HA GLU 27 -2.093 -10.822 -3.180 204 1HB GLU 27 2HB GLU 27 -2.129 -12.579 -4.944 205 2HB GLU 27 1HB GLU 27 -3.672 -13.132 -4.313 206 1HG GLU 27 2HG GLU 27 -3.224 -10.334 -5.299 207 2HG GLU 27 1HG GLU 27 -3.754 -11.651 -6.345 208 H LYS 28 H LYS 28 -4.222 -13.364 -1.918 209 HA LYS 28 HA LYS 28 -6.500 -11.755 -1.549 210 1HB LYS 28 2HB LYS 28 -5.622 -14.248 -0.075 211 2HB LYS 28 1HB LYS 28 -7.220 -13.526 0.049 212 1HG LYS 28 2HG LYS 28 -5.976 -14.674 -2.440 213 2HG LYS 28 1HG LYS 28 -7.252 -15.408 -1.469 214 1HD LYS 28 2HD LYS 28 -8.722 -13.521 -1.981 215 2HD LYS 28 1HD LYS 28 -7.443 -12.786 -2.949 216 1HE LYS 28 2HE LYS 28 -7.475 -14.713 -4.454 217 2HE LYS 28 1HE LYS 28 -8.744 -15.454 -3.483 218 1HZ LYS 28 1HZ LYS 28 -9.398 -12.792 -4.320 219 2HZ LYS 28 2HZ LYS 28 -10.294 -14.220 -4.469 220 3HZ LYS 28 3HZ LYS 28 -9.125 -13.831 -5.628 221 H VAL 29 H VAL 29 -3.806 -12.584 0.599 222 HA VAL 29 HA VAL 29 -4.742 -11.291 2.898 223 HB VAL 29 HB VAL 29 -1.884 -11.694 1.994 224 1HG1 VAL 29 1HG1 VAL 29 -3.061 -10.700 4.555 225 2HG1 VAL 29 2HG1 VAL 29 -1.673 -10.096 3.652 226 3HG1 VAL 29 3HG1 VAL 29 -1.544 -11.597 4.566 227 1HG2 VAL 29 1HG2 VAL 29 -3.745 -13.603 2.626 228 2HG2 VAL 29 2HG2 VAL 29 -2.923 -13.347 4.165 229 3HG2 VAL 29 3HG2 VAL 29 -1.997 -13.802 2.735 230 H VAL 30 H VAL 30 -2.950 -10.104 0.111 231 HA VAL 30 HA VAL 30 -2.435 -7.505 1.112 232 HB VAL 30 HB VAL 30 -2.846 -8.288 -1.781 233 1HG1 VAL 30 1HG1 VAL 30 -1.771 -6.323 -2.372 234 2HG1 VAL 30 2HG1 VAL 30 -1.016 -6.142 -0.790 235 3HG1 VAL 30 3HG1 VAL 30 -2.736 -5.816 -0.986 236 1HG2 VAL 30 1HG2 VAL 30 -0.102 -8.063 -0.785 237 2HG2 VAL 30 2HG2 VAL 30 -0.825 -9.259 -1.861 238 3HG2 VAL 30 3HG2 VAL 30 -1.007 -9.420 -0.114 239 H LYS 31 H LYS 31 -5.054 -8.859 -0.915 240 HA LYS 31 HA LYS 31 -6.559 -6.621 -1.395 241 1HB LYS 31 2HB LYS 31 -7.579 -9.364 -0.633 242 2HB LYS 31 1HB LYS 31 -8.565 -8.095 -1.343 243 1HG LYS 31 2HG LYS 31 -6.234 -9.487 -2.623 244 2HG LYS 31 1HG LYS 31 -7.938 -9.680 -3.027 245 1HD LYS 31 2HD LYS 31 -6.352 -7.132 -3.296 246 2HD LYS 31 1HD LYS 31 -6.771 -8.217 -4.620 247 1HE LYS 31 2HE LYS 31 -9.151 -7.825 -4.167 248 2HE LYS 31 1HE LYS 31 -8.714 -6.719 -2.865 249 1HZ LYS 31 1HZ LYS 31 -9.263 -5.782 -5.188 250 2HZ LYS 31 2HZ LYS 31 -7.692 -6.262 -5.589 251 3HZ LYS 31 3HZ LYS 31 -7.943 -5.148 -4.342 252 H GLN 32 H GLN 32 -6.685 -8.716 1.444 253 HA GLN 32 HA GLN 32 -8.621 -7.288 2.884 254 1HB GLN 32 2HB GLN 32 -7.727 -9.606 3.395 255 2HB GLN 32 1HB GLN 32 -6.312 -8.824 4.087 256 1HG GLN 32 2HG GLN 32 -7.853 -9.432 5.828 257 2HG GLN 32 1HG GLN 32 -7.742 -7.681 5.707 258 1HE2 GLN 32 1HE2 GLN 32 -9.534 -8.972 3.141 259 2HE2 GLN 32 2HE2 GLN 32 -11.109 -8.690 3.783 260 H PHE 33 H PHE 33 -5.147 -6.946 2.626 261 HA PHE 33 HA PHE 33 -4.602 -5.134 4.648 262 1HB PHE 33 2HB PHE 33 -2.978 -6.297 3.079 263 2HB PHE 33 1HB PHE 33 -3.387 -5.081 1.878 264 HD1 PHE 33 1HD PHE 33 -2.163 -5.380 5.375 265 HD2 PHE 33 2HD PHE 33 -2.108 -3.173 1.727 266 HE1 PHE 33 1HE PHE 33 -0.426 -3.899 6.291 267 HE2 PHE 33 2HE PHE 33 -0.370 -1.698 2.647 268 HZ PHE 33 HZ PHE 33 0.470 -2.066 4.933 269 H PHE 34 H PHE 34 -5.113 -4.317 1.247 270 HA PHE 34 HA PHE 34 -5.555 -1.546 1.720 271 1HB PHE 34 2HB PHE 34 -6.234 -3.219 -0.702 272 2HB PHE 34 1HB PHE 34 -6.201 -1.453 -0.650 273 HD1 PHE 34 1HD PHE 34 -3.876 -0.775 0.808 274 HD2 PHE 34 2HD PHE 34 -4.432 -3.977 -1.931 275 HE1 PHE 34 1HE PHE 34 -1.458 -0.817 0.378 276 HE2 PHE 34 2HE PHE 34 -2.014 -4.019 -2.378 277 HZ PHE 34 HZ PHE 34 -0.532 -2.438 -1.209 278 H ASN 35 H ASN 35 -7.693 -4.296 1.279 279 HA ASN 35 HA ASN 35 -10.151 -3.061 1.053 280 1HB ASN 35 2HB ASN 35 -9.800 -5.499 0.943 281 2HB ASN 35 1HB ASN 35 -9.454 -5.526 2.669 282 1HD2 ASN 35 1HD2 ASN 35 -11.627 -6.488 0.668 283 2HD2 ASN 35 2HD2 ASN 35 -13.091 -6.187 1.536 284 H ASP 36 H ASP 36 -8.178 -3.652 3.868 285 HA ASP 36 HA ASP 36 -10.109 -2.363 5.638 286 1HB ASP 36 2HB ASP 36 -7.525 -3.811 6.229 287 2HB ASP 36 1HB ASP 36 -8.546 -3.071 7.459 288 H ASN 37 H ASN 37 -7.113 -1.617 4.034 289 HA ASN 37 HA ASN 37 -6.467 0.563 5.825 290 1HB ASN 37 2HB ASN 37 -5.341 -0.161 3.108 291 2HB ASN 37 1HB ASN 37 -4.738 1.143 4.120 292 1HD2 ASN 37 1HD2 ASN 37 -3.669 -1.530 3.090 293 2HD2 ASN 37 2HD2 ASN 37 -2.982 -2.250 4.503 294 H GLY 38 H GLY 38 -7.723 0.168 2.566 295 1HA GLY 38 2HA GLY 38 -8.129 2.202 1.193 296 2HA GLY 38 1HA GLY 38 -9.598 1.485 1.816 297 H VAL 39 H VAL 39 -10.975 2.837 2.674 298 HA VAL 39 HA VAL 39 -10.037 5.511 3.426 299 HB VAL 39 HB VAL 39 -12.839 4.598 2.852 300 1HG1 VAL 39 1HG1 VAL 39 -12.994 7.147 2.321 301 2HG1 VAL 39 2HG1 VAL 39 -11.582 7.256 3.373 302 3HG1 VAL 39 3HG1 VAL 39 -13.092 6.586 3.990 303 1HG2 VAL 39 1HG2 VAL 39 -10.864 5.934 1.007 304 2HG2 VAL 39 2HG2 VAL 39 -12.549 5.572 0.632 305 3HG2 VAL 39 3HG2 VAL 39 -11.404 4.258 0.906 306 H ASP 40 H ASP 40 -10.836 2.745 5.181 307 HA ASP 40 HA ASP 40 -11.858 4.439 7.355 308 1HB ASP 40 2HB ASP 40 -12.661 1.597 6.715 309 2HB ASP 40 1HB ASP 40 -13.163 2.490 8.148 310 H GLY 41 H GLY 41 -9.122 3.174 6.509 311 1HA GLY 41 2HA GLY 41 -8.523 1.391 8.685 312 2HA GLY 41 1HA GLY 41 -7.376 2.052 7.533 313 H GLU 42 H GLU 42 -6.652 1.774 10.131 314 HA GLU 42 HA GLU 42 -6.923 4.393 11.408 315 1HB GLU 42 2HB GLU 42 -5.556 1.881 12.402 316 2HB GLU 42 1HB GLU 42 -5.786 3.357 13.328 317 1HG GLU 42 2HG GLU 42 -7.440 1.873 14.069 318 2HG GLU 42 1HG GLU 42 -8.266 3.020 13.017 319 H TRP 43 H TRP 43 -5.610 5.811 10.370 320 HA TRP 43 HA TRP 43 -2.880 4.994 9.715 321 1HB TRP 43 2HB TRP 43 -4.412 7.484 8.964 322 2HB TRP 43 1HB TRP 43 -2.803 7.062 8.393 323 HD1 TRP 43 HD TRP 43 -5.647 4.467 8.525 324 HE1 TRP 43 1HE TRP 43 -6.203 3.770 6.109 325 HE3 TRP 43 3HE TRP 43 -2.704 7.805 6.025 326 HZ2 TRP 43 2HZ TRP 43 -5.488 4.536 3.497 327 HZ3 TRP 43 3HZ TRP 43 -2.696 7.759 3.568 328 HH2 TRP 43 HH TRP 43 -4.059 6.158 2.329 329 H THR 44 H THR 44 -1.239 5.506 10.997 330 HA THR 44 HA THR 44 -1.553 7.714 12.904 331 HB THR 44 HB THR 44 0.426 6.711 14.041 332 HG1 THR 44 1HG THR 44 0.092 4.584 12.205 333 1HG2 THR 44 1HG2 THR 44 -0.740 5.162 15.199 334 2HG2 THR 44 2HG2 THR 44 -1.390 4.400 13.748 335 3HG2 THR 44 3HG2 THR 44 -2.083 5.911 14.337 336 H TYR 45 H TYR 45 -0.287 9.512 12.763 337 HA TYR 45 HA TYR 45 1.591 9.611 10.502 338 1HB TYR 45 2HB TYR 45 -0.368 11.142 10.433 339 2HB TYR 45 1HB TYR 45 0.206 11.899 11.914 340 HD1 TYR 45 1HD TYR 45 2.590 10.834 9.341 341 HD2 TYR 45 2HD TYR 45 0.294 14.082 10.854 342 HE1 TYR 45 1HE TYR 45 3.935 12.400 8.004 343 HE2 TYR 45 2HE TYR 45 1.632 15.656 9.521 344 HH TYR 45 HH TYR 45 3.378 15.904 8.154 345 H ASP 46 H ASP 46 3.682 10.233 10.767 346 HA ASP 46 HA ASP 46 4.538 10.959 13.490 347 1HB ASP 46 2HB ASP 46 5.198 8.646 12.962 348 2HB ASP 46 1HB ASP 46 6.027 9.213 11.514 349 H ASP 47 H ASP 47 4.363 13.164 12.807 350 HA ASP 47 HA ASP 47 5.463 14.405 10.638 351 1HB ASP 47 2HB ASP 47 5.565 15.483 13.463 352 2HB ASP 47 1HB ASP 47 5.607 16.428 11.979 353 H ALA 48 H ALA 48 7.138 13.283 13.514 354 HA ALA 48 HA ALA 48 9.571 14.535 13.280 355 1HB ALA 48 1HB ALA 48 10.470 12.858 14.657 356 2HB ALA 48 2HB ALA 48 9.335 11.647 14.061 357 3HB ALA 48 3HB ALA 48 8.765 12.957 15.095 358 H THR 49 H THR 49 8.351 11.848 11.374 359 HA THR 49 HA THR 49 10.864 11.916 9.834 360 HB THR 49 HB THR 49 10.503 9.533 9.307 361 HG1 THR 49 1HG THR 49 8.185 9.628 9.710 362 1HG2 THR 49 1HG2 THR 49 11.930 10.019 11.197 363 2HG2 THR 49 2HG2 THR 49 10.974 8.568 11.501 364 3HG2 THR 49 3HG2 THR 49 10.525 10.095 12.262 365 H LYS 50 H LYS 50 7.934 13.086 9.591 366 HA LYS 50 HA LYS 50 6.448 13.532 7.895 367 1HB LYS 50 2HB LYS 50 9.008 13.129 6.344 368 2HB LYS 50 1HB LYS 50 7.531 13.762 5.630 369 1HG LYS 50 2HG LYS 50 8.575 15.101 8.060 370 2HG LYS 50 1HG LYS 50 9.442 15.338 6.543 371 1HD LYS 50 2HD LYS 50 7.753 17.081 6.927 372 2HD LYS 50 1HD LYS 50 7.422 16.137 5.476 373 1HE LYS 50 2HE LYS 50 5.385 16.559 6.741 374 2HE LYS 50 1HE LYS 50 5.759 14.838 6.688 375 1HZ LYS 50 1HZ LYS 50 5.135 15.325 8.891 376 2HZ LYS 50 2HZ LYS 50 6.113 16.702 8.963 377 3HZ LYS 50 3HZ LYS 50 6.820 15.166 8.929 378 H THR 51 H THR 51 6.507 10.801 8.760 379 HA THR 51 HA THR 51 5.813 9.433 6.243 380 HB THR 51 HB THR 51 7.058 8.281 8.742 381 HG1 THR 51 1HG THR 51 8.467 9.390 7.283 382 1HG2 THR 51 1HG2 THR 51 7.161 6.469 6.579 383 2HG2 THR 51 2HG2 THR 51 5.480 6.945 6.814 384 3HG2 THR 51 3HG2 THR 51 6.399 6.263 8.155 385 H PHE 52 H PHE 52 3.954 8.194 6.187 386 HA PHE 52 HA PHE 52 2.193 8.481 8.536 387 1HB PHE 52 2HB PHE 52 1.422 8.110 5.643 388 2HB PHE 52 1HB PHE 52 0.306 8.241 6.994 389 HD1 PHE 52 1HD PHE 52 -0.053 10.378 8.107 390 HD2 PHE 52 2HD PHE 52 2.533 10.039 4.745 391 HE1 PHE 52 1HE PHE 52 -0.116 12.820 7.816 392 HE2 PHE 52 2HE PHE 52 2.476 12.481 4.451 393 HZ PHE 52 HZ PHE 52 1.150 13.874 5.987 394 H THR 53 H THR 53 2.673 6.660 9.594 395 HA THR 53 HA THR 53 2.790 4.074 8.373 396 HB THR 53 HB THR 53 2.531 3.297 10.847 397 HG1 THR 53 1HG THR 53 2.252 4.828 12.211 398 1HG2 THR 53 1HG2 THR 53 4.650 2.934 10.213 399 2HG2 THR 53 2HG2 THR 53 4.955 4.322 11.264 400 3HG2 THR 53 3HG2 THR 53 4.837 4.548 9.518 401 H VAL 54 H VAL 54 1.253 2.704 7.889 402 HA VAL 54 HA VAL 54 -1.473 3.235 8.872 403 HB VAL 54 HB VAL 54 -0.638 1.866 6.299 404 1HG1 VAL 54 1HG1 VAL 54 -3.220 2.114 7.714 405 2HG1 VAL 54 2HG1 VAL 54 -2.650 0.875 6.596 406 3HG1 VAL 54 3HG1 VAL 54 -3.249 2.412 5.975 407 1HG2 VAL 54 1HG2 VAL 54 -1.952 3.937 5.397 408 2HG2 VAL 54 2HG2 VAL 54 -0.257 4.090 5.855 409 3HG2 VAL 54 3HG2 VAL 54 -1.520 4.640 6.956 410 H THR 55 H THR 55 -1.980 1.869 10.451 411 HA THR 55 HA THR 55 -0.912 -0.860 10.365 412 HB THR 55 HB THR 55 -2.198 0.571 12.692 413 HG1 THR 55 1HG THR 55 -0.311 1.378 13.092 414 1HG2 THR 55 1HG2 THR 55 -0.669 -2.009 12.505 415 2HG2 THR 55 2HG2 THR 55 -2.331 -1.774 13.051 416 3HG2 THR 55 3HG2 THR 55 -0.991 -1.162 14.019 417 H GLU 56 H GLU 56 -2.192 -2.430 9.666 418 HA GLU 56 HA GLU 56 -5.005 -1.982 9.304 419 1HB GLU 56 2HB GLU 56 -5.052 -4.179 8.305 420 2HB GLU 56 1HB GLU 56 -3.639 -3.316 7.721 421 1HG GLU 56 2HG GLU 56 -2.645 -5.287 8.162 422 2HG GLU 56 1HG GLU 56 -2.518 -4.589 9.774 423 1H MET 1 1HT MET 1 5.122 18.407 -2.155 424 2H MET 1 2HT MET 1 5.769 19.832 -1.518 425 3H MET 1 3HT MET 1 4.705 18.899 -0.591 426 HA MET 1 HA MET 1 7.522 18.405 -1.256 427 1HB MET 1 2HB MET 1 6.809 19.492 0.869 428 2HB MET 1 1HB MET 1 5.886 18.051 1.267 429 1HG MET 1 2HG MET 1 7.872 16.738 1.426 430 2HG MET 1 1HG MET 1 8.857 18.064 0.809 431 1HE MET 1 1HE MET 1 5.926 18.594 3.551 432 2HE MET 1 2HE MET 1 6.815 17.954 4.933 433 3HE MET 1 3HE MET 1 6.452 16.911 3.557 434 H GLN 2 H GLN 2 8.321 16.238 -0.424 435 HA GLN 2 HA GLN 2 6.574 14.138 -1.481 436 1HB GLN 2 2HB GLN 2 8.804 14.306 -2.487 437 2HB GLN 2 1HB GLN 2 9.543 14.116 -0.903 438 1HG GLN 2 2HG GLN 2 8.606 11.870 -0.730 439 2HG GLN 2 1HG GLN 2 7.856 12.060 -2.311 440 1HE2 GLN 2 1HE2 GLN 2 10.740 13.639 -2.508 441 2HE2 GLN 2 2HE2 GLN 2 11.722 12.362 -3.123 442 H TYR 3 H TYR 3 5.870 12.461 -0.240 443 HA TYR 3 HA TYR 3 6.798 12.390 2.554 444 1HB TYR 3 2HB TYR 3 3.952 12.049 1.590 445 2HB TYR 3 1HB TYR 3 4.496 11.874 3.255 446 HD1 TYR 3 1HD TYR 3 4.425 13.713 4.672 447 HD2 TYR 3 2HD TYR 3 4.438 14.351 0.467 448 HE1 TYR 3 1HE TYR 3 4.073 16.119 5.043 449 HE2 TYR 3 2HE TYR 3 4.087 16.760 0.826 450 HH TYR 3 HH TYR 3 4.281 18.430 2.457 451 H LYS 4 H LYS 4 6.999 10.398 3.505 452 HA LYS 4 HA LYS 4 6.777 8.101 1.677 453 1HB LYS 4 2HB LYS 4 9.062 8.636 2.465 454 2HB LYS 4 1HB LYS 4 8.522 8.427 4.126 455 1HG LYS 4 2HG LYS 4 8.020 6.082 3.672 456 2HG LYS 4 1HG LYS 4 8.555 6.291 2.004 457 1HD LYS 4 2HD LYS 4 10.795 6.904 2.819 458 2HD LYS 4 1HD LYS 4 10.250 6.640 4.478 459 1HE LYS 4 2HE LYS 4 11.473 4.705 3.654 460 2HE LYS 4 1HE LYS 4 9.783 4.297 3.946 461 1HZ LYS 4 1HZ LYS 4 10.957 4.931 1.293 462 2HZ LYS 4 2HZ LYS 4 9.351 4.490 1.588 463 3HZ LYS 4 3HZ LYS 4 10.596 3.377 1.856 464 H VAL 5 H VAL 5 4.963 6.997 2.059 465 HA VAL 5 HA VAL 5 3.901 6.871 4.773 466 HB VAL 5 HB VAL 5 2.677 5.895 2.188 467 1HG1 VAL 5 1HG1 VAL 5 1.136 6.421 4.687 468 2HG1 VAL 5 2HG1 VAL 5 1.984 4.888 4.498 469 3HG1 VAL 5 3HG1 VAL 5 0.750 5.362 3.331 470 1HG2 VAL 5 1HG2 VAL 5 1.146 7.978 3.014 471 2HG2 VAL 5 2HG2 VAL 5 2.435 8.096 1.816 472 3HG2 VAL 5 3HG2 VAL 5 2.754 8.517 3.499 473 H ILE 6 H ILE 6 3.767 5.055 5.965 474 HA ILE 6 HA ILE 6 5.041 2.645 4.854 475 HB ILE 6 HB ILE 6 4.838 3.574 7.722 476 1HG1 ILE 6 2HG1 ILE 6 7.234 3.090 5.940 477 2HG1 ILE 6 1HG1 ILE 6 6.560 4.669 6.317 478 1HG2 ILE 6 1HG2 ILE 6 6.270 1.548 8.187 479 2HG2 ILE 6 2HG2 ILE 6 5.827 0.971 6.581 480 3HG2 ILE 6 3HG2 ILE 6 4.581 1.220 7.803 481 1HD1 ILE 6 1HD1 ILE 6 7.102 4.352 8.666 482 2HD1 ILE 6 2HD1 ILE 6 8.536 4.181 7.654 483 3HD1 ILE 6 3HD1 ILE 6 7.743 2.748 8.306 484 H LEU 7 H LEU 7 3.836 0.909 4.576 485 HA LEU 7 HA LEU 7 1.138 0.887 5.729 486 1HB LEU 7 2HB LEU 7 2.105 -0.958 3.564 487 2HB LEU 7 1HB LEU 7 0.466 -0.451 3.923 488 HG LEU 7 HG LEU 7 2.627 1.206 2.640 489 1HD1 LEU 7 1HD1 LEU 7 -0.063 0.348 1.594 490 2HD1 LEU 7 2HD1 LEU 7 1.455 -0.472 1.230 491 3HD1 LEU 7 3HD1 LEU 7 1.210 1.197 0.714 492 1HD2 LEU 7 1HD2 LEU 7 1.248 2.496 4.263 493 2HD2 LEU 7 2HD2 LEU 7 -0.181 2.053 3.332 494 3HD2 LEU 7 3HD2 LEU 7 1.084 3.035 2.592 495 H ASN 8 H ASN 8 1.892 0.205 7.789 496 HA ASN 8 HA ASN 8 3.173 -2.394 8.005 497 1HB ASN 8 2HB ASN 8 3.831 -0.406 9.400 498 2HB ASN 8 1HB ASN 8 2.270 -0.530 10.206 499 1HD2 ASN 8 1HD2 ASN 8 5.350 -1.111 10.670 500 2HD2 ASN 8 2HD2 ASN 8 5.289 -2.532 11.652 501 H GLY 9 H GLY 9 1.870 -4.122 7.815 502 1HA GLY 9 2HA GLY 9 -0.725 -4.027 9.224 503 2HA GLY 9 1HA GLY 9 -0.454 -4.950 7.754 504 H LYS 10 H LYS 10 -1.415 -6.636 9.230 505 HA LYS 10 HA LYS 10 0.341 -7.684 11.258 506 1HB LYS 10 2HB LYS 10 -2.237 -8.725 10.077 507 2HB LYS 10 1HB LYS 10 -1.349 -9.551 11.349 508 1HG LYS 10 2HG LYS 10 -1.628 -7.598 12.803 509 2HG LYS 10 1HG LYS 10 -2.541 -6.792 11.525 510 1HD LYS 10 2HD LYS 10 -4.255 -8.491 11.621 511 2HD LYS 10 1HD LYS 10 -3.314 -9.419 12.791 512 1HE LYS 10 2HE LYS 10 -5.097 -8.180 13.894 513 2HE LYS 10 1HE LYS 10 -3.515 -7.597 14.404 514 1HZ LYS 10 1HZ LYS 10 -4.172 -5.577 13.826 515 2HZ LYS 10 2HZ LYS 10 -5.625 -6.164 13.187 516 3HZ LYS 10 3HZ LYS 10 -4.248 -6.072 12.210 517 H THR 11 H THR 11 -0.889 -8.848 8.125 518 HA THR 11 HA THR 11 1.313 -10.771 7.999 519 HB THR 11 HB THR 11 -0.101 -11.682 6.072 520 HG1 THR 11 1HG THR 11 -2.126 -10.130 7.283 521 1HG2 THR 11 1HG2 THR 11 -0.690 -11.861 8.934 522 2HG2 THR 11 2HG2 THR 11 -0.445 -13.134 7.738 523 3HG2 THR 11 3HG2 THR 11 -2.011 -12.334 7.867 524 H LEU 12 H LEU 12 0.708 -7.700 7.047 525 HA LEU 12 HA LEU 12 2.447 -7.993 4.714 526 1HB LEU 12 2HB LEU 12 0.167 -7.841 3.879 527 2HB LEU 12 1HB LEU 12 -0.092 -6.371 4.797 528 HG LEU 12 HG LEU 12 1.424 -5.149 3.412 529 1HD1 LEU 12 1HD1 LEU 12 2.162 -6.820 1.342 530 2HD1 LEU 12 2HD1 LEU 12 2.392 -7.802 2.786 531 3HD1 LEU 12 3HD1 LEU 12 3.201 -6.248 2.649 532 1HD2 LEU 12 1HD2 LEU 12 0.168 -6.533 1.192 533 2HD2 LEU 12 2HD2 LEU 12 -0.067 -4.887 1.780 534 3HD2 LEU 12 3HD2 LEU 12 -0.952 -6.223 2.518 535 H LYS 13 H LYS 13 3.965 -6.465 4.471 536 HA LYS 13 HA LYS 13 3.823 -3.993 6.026 537 1HB LYS 13 2HB LYS 13 6.298 -5.727 6.083 538 2HB LYS 13 1HB LYS 13 6.014 -4.243 6.977 539 1HG LYS 13 2HG LYS 13 5.722 -5.847 8.594 540 2HG LYS 13 1HG LYS 13 4.066 -5.568 8.055 541 1HD LYS 13 2HD LYS 13 4.084 -7.546 6.731 542 2HD LYS 13 1HD LYS 13 5.818 -7.756 6.958 543 1HE LYS 13 2HE LYS 13 4.484 -9.289 8.351 544 2HE LYS 13 1HE LYS 13 5.493 -8.206 9.308 545 1HZ LYS 13 1HZ LYS 13 2.938 -8.608 9.821 546 2HZ LYS 13 2HZ LYS 13 2.779 -7.310 8.748 547 3HZ LYS 13 3HZ LYS 13 3.710 -7.138 10.151 548 H GLY 14 H GLY 14 4.978 -2.274 5.082 549 1HA GLY 14 2HA GLY 14 6.871 -2.660 2.998 550 2HA GLY 14 1HA GLY 14 5.290 -2.310 2.325 551 H GLU 15 H GLU 15 6.875 -0.555 1.521 552 HA GLU 15 HA GLU 15 6.370 1.822 3.150 553 1HB GLU 15 2HB GLU 15 9.052 1.167 1.909 554 2HB GLU 15 1HB GLU 15 8.642 2.669 2.726 555 1HG GLU 15 2HG GLU 15 8.322 1.472 4.813 556 2HG GLU 15 1HG GLU 15 8.670 -0.055 4.005 557 H THR 16 H THR 16 5.734 3.547 1.980 558 HA THR 16 HA THR 16 6.123 3.502 -0.921 559 HB THR 16 HB THR 16 3.975 2.648 -0.882 560 HG1 THR 16 1HG THR 16 3.452 5.404 -0.716 561 1HG2 THR 16 1HG2 THR 16 2.164 3.577 0.608 562 2HG2 THR 16 2HG2 THR 16 3.455 4.346 1.527 563 3HG2 THR 16 3HG2 THR 16 3.399 2.591 1.388 564 H THR 17 H THR 17 5.479 5.648 -1.932 565 HA THR 17 HA THR 17 5.753 7.902 -0.092 566 HB THR 17 HB THR 17 7.537 8.894 -1.526 567 HG1 THR 17 1HG THR 17 8.643 7.474 -2.917 568 1HG2 THR 17 1HG2 THR 17 9.375 7.314 -0.820 569 2HG2 THR 17 2HG2 THR 17 8.105 6.307 -0.125 570 3HG2 THR 17 3HG2 THR 17 8.347 7.953 0.463 571 H THR 18 H THR 18 4.260 9.344 -0.547 572 HA THR 18 HA THR 18 3.274 9.617 -3.323 573 HB THR 18 HB THR 18 1.594 8.973 -1.594 574 HG1 THR 18 1HG THR 18 1.036 10.246 -3.447 575 1HG2 THR 18 1HG2 THR 18 2.377 11.595 -0.375 576 2HG2 THR 18 2HG2 THR 18 2.226 10.016 0.395 577 3HG2 THR 18 3HG2 THR 18 0.783 10.882 -0.129 578 H GLU 19 H GLU 19 3.110 11.684 -4.240 579 HA GLU 19 HA GLU 19 4.715 13.753 -2.889 580 1HB GLU 19 2HB GLU 19 5.603 13.018 -5.042 581 2HB GLU 19 1HB GLU 19 4.069 13.374 -5.820 582 1HG GLU 19 2HG GLU 19 5.686 15.108 -6.285 583 2HG GLU 19 1HG GLU 19 4.359 15.745 -5.315 584 H ALA 20 H ALA 20 3.577 15.363 -1.978 585 HA ALA 20 HA ALA 20 1.330 16.504 -3.432 586 1HB ALA 20 1HB ALA 20 0.928 15.768 -0.553 587 2HB ALA 20 2HB ALA 20 0.507 14.667 -1.865 588 3HB ALA 20 3HB ALA 20 -0.273 16.244 -1.752 589 H VAL 21 H VAL 21 0.789 18.591 -2.829 590 HA VAL 21 HA VAL 21 2.815 20.331 -2.200 591 HB VAL 21 HB VAL 21 -0.091 20.858 -1.587 592 1HG1 VAL 21 1HG1 VAL 21 1.619 22.515 -0.801 593 2HG1 VAL 21 2HG1 VAL 21 0.417 23.157 -1.920 594 3HG1 VAL 21 3HG1 VAL 21 2.042 22.781 -2.493 595 1HG2 VAL 21 1HG2 VAL 21 0.033 21.849 -3.984 596 2HG2 VAL 21 2HG2 VAL 21 -0.210 20.114 -3.771 597 3HG2 VAL 21 3HG2 VAL 21 1.388 20.736 -4.182 598 H ASP 22 H ASP 22 0.794 18.564 0.007 599 HA ASP 22 HA ASP 22 2.469 19.410 2.212 600 1HB ASP 22 2HB ASP 22 0.673 20.211 3.639 601 2HB ASP 22 1HB ASP 22 0.736 21.166 2.163 602 H ALA 23 H ALA 23 1.584 18.341 4.341 603 HA ALA 23 HA ALA 23 1.693 15.577 3.954 604 1HB ALA 23 1HB ALA 23 1.305 17.383 6.238 605 2HB ALA 23 2HB ALA 23 2.365 15.984 6.062 606 3HB ALA 23 3HB ALA 23 0.659 15.755 6.448 607 H ALA 24 H ALA 24 -1.071 17.690 4.583 608 HA ALA 24 HA ALA 24 -2.989 15.631 4.815 609 1HB ALA 24 1HB ALA 24 -3.767 18.262 3.646 610 2HB ALA 24 2HB ALA 24 -3.136 18.227 5.292 611 3HB ALA 24 3HB ALA 24 -4.573 17.293 4.879 612 H THR 25 H THR 25 -2.181 17.716 2.024 613 HA THR 25 HA THR 25 -3.794 16.521 0.135 614 HB THR 25 HB THR 25 -2.083 17.279 -1.519 615 HG1 THR 25 1HG THR 25 -0.599 17.603 0.826 616 1HG2 THR 25 1HG2 THR 25 -3.563 18.993 -1.022 617 2HG2 THR 25 2HG2 THR 25 -1.977 19.710 -0.735 618 3HG2 THR 25 3HG2 THR 25 -2.958 19.162 0.626 619 H ALA 26 H ALA 26 -0.528 15.649 1.192 620 HA ALA 26 HA ALA 26 -0.159 13.444 -0.513 621 1HB ALA 26 1HB ALA 26 1.573 12.743 1.041 622 2HB ALA 26 2HB ALA 26 0.943 13.838 2.272 623 3HB ALA 26 3HB ALA 26 1.655 14.489 0.796 624 H GLU 27 H GLU 27 -1.266 13.584 2.886 625 HA GLU 27 HA GLU 27 -1.874 10.923 3.244 626 1HB GLU 27 2HB GLU 27 -1.890 12.679 5.009 627 2HB GLU 27 1HB GLU 27 -3.409 13.271 4.356 628 1HG GLU 27 2HG GLU 27 -3.046 10.463 5.346 629 2HG GLU 27 1HG GLU 27 -3.561 11.792 6.384 630 H LYS 28 H LYS 28 -3.922 13.515 1.951 631 HA LYS 28 HA LYS 28 -6.233 11.961 1.550 632 1HB LYS 28 2HB LYS 28 -5.276 14.430 0.086 633 2HB LYS 28 1HB LYS 28 -6.889 13.745 -0.059 634 1HG LYS 28 2HG LYS 28 -5.653 14.870 2.445 635 2HG LYS 28 1HG LYS 28 -6.899 15.630 1.455 636 1HD LYS 28 2HD LYS 28 -8.420 13.781 1.948 637 2HD LYS 28 1HD LYS 28 -7.172 13.016 2.934 638 1HE LYS 28 2HE LYS 28 -7.177 14.943 4.438 639 2HE LYS 28 1HE LYS 28 -8.415 15.716 3.450 640 1HZ LYS 28 1HZ LYS 28 -9.146 13.070 4.278 641 2HZ LYS 28 2HZ LYS 28 -10.007 14.520 4.413 642 3HZ LYS 28 3HZ LYS 28 -8.866 14.103 5.590 643 H VAL 29 H VAL 29 -3.495 12.728 -0.563 644 HA VAL 29 HA VAL 29 -4.427 11.455 -2.875 645 HB VAL 29 HB VAL 29 -1.572 11.787 -1.928 646 1HG1 VAL 29 1HG1 VAL 29 -2.736 10.823 -4.506 647 2HG1 VAL 29 2HG1 VAL 29 -1.376 10.185 -3.582 648 3HG1 VAL 29 3HG1 VAL 29 -1.197 11.683 -4.495 649 1HG2 VAL 29 1HG2 VAL 29 -3.377 13.743 -2.587 650 2HG2 VAL 29 2HG2 VAL 29 -2.540 13.465 -4.114 651 3HG2 VAL 29 3HG2 VAL 29 -1.623 13.898 -2.671 652 H VAL 30 H VAL 30 -2.701 10.225 -0.064 653 HA VAL 30 HA VAL 30 -2.236 7.614 -1.055 654 HB VAL 30 HB VAL 30 -2.669 8.409 1.832 655 1HG1 VAL 30 1HG1 VAL 30 -1.651 6.420 2.440 656 2HG1 VAL 30 2HG1 VAL 30 -0.878 6.218 0.867 657 3HG1 VAL 30 3HG1 VAL 30 -2.610 5.935 1.040 658 1HG2 VAL 30 1HG2 VAL 30 0.081 8.116 0.873 659 2HG2 VAL 30 2HG2 VAL 30 -0.626 9.329 1.939 660 3HG2 VAL 30 3HG2 VAL 30 -0.781 9.494 0.190 661 H LYS 31 H LYS 31 -4.849 9.033 0.933 662 HA LYS 31 HA LYS 31 -6.417 6.832 1.393 663 1HB LYS 31 2HB LYS 31 -7.356 9.599 0.616 664 2HB LYS 31 1HB LYS 31 -8.385 8.356 1.311 665 1HG LYS 31 2HG LYS 31 -6.039 9.691 2.626 666 2HG LYS 31 1HG LYS 31 -7.744 9.924 3.006 667 1HD LYS 31 2HD LYS 31 -6.221 7.340 3.297 668 2HD LYS 31 1HD LYS 31 -6.635 8.434 4.614 669 1HE LYS 31 2HE LYS 31 -9.016 8.099 4.127 670 2HE LYS 31 1HE LYS 31 -8.587 6.983 2.832 671 1HZ LYS 31 1HZ LYS 31 -9.192 6.062 5.148 672 2HZ LYS 31 2HZ LYS 31 -7.616 6.502 5.569 673 3HZ LYS 31 3HZ LYS 31 -7.877 5.393 4.320 674 H GLN 32 H GLN 32 -6.451 8.926 -1.448 675 HA GLN 32 HA GLN 32 -8.400 7.547 -2.915 676 1HB GLN 32 2HB GLN 32 -7.441 9.841 -3.413 677 2HB GLN 32 1HB GLN 32 -6.037 9.024 -4.085 678 1HG GLN 32 2HG GLN 32 -7.538 9.672 -5.847 679 2HG GLN 32 1HG GLN 32 -7.471 7.918 -5.726 680 1HE2 GLN 32 1HE2 GLN 32 -9.267 9.251 -3.186 681 2HE2 GLN 32 2HE2 GLN 32 -10.840 9.010 -3.850 682 H PHE 33 H PHE 33 -4.941 7.121 -2.611 683 HA PHE 33 HA PHE 33 -4.411 5.294 -4.624 684 1HB PHE 33 2HB PHE 33 -2.782 6.418 -3.034 685 2HB PHE 33 1HB PHE 33 -3.237 5.214 -1.837 686 HD1 PHE 33 1HD PHE 33 -1.955 5.481 -5.317 687 HD2 PHE 33 2HD PHE 33 -2.005 3.275 -1.668 688 HE1 PHE 33 1HE PHE 33 -0.240 3.958 -6.206 689 HE2 PHE 33 2HE PHE 33 -0.291 1.759 -2.563 690 HZ PHE 33 HZ PHE 33 0.592 2.106 -4.836 691 H PHE 34 H PHE 34 -4.989 4.491 -1.230 692 HA PHE 34 HA PHE 34 -5.492 1.731 -1.708 693 1HB PHE 34 2HB PHE 34 -6.163 3.422 0.704 694 2HB PHE 34 1HB PHE 34 -6.171 1.656 0.653 695 HD1 PHE 34 1HD PHE 34 -3.843 0.921 -0.773 696 HD2 PHE 34 2HD PHE 34 -4.361 4.135 1.959 697 HE1 PHE 34 1HE PHE 34 -1.431 0.907 -0.309 698 HE2 PHE 34 2HE PHE 34 -1.948 4.121 2.439 699 HZ PHE 34 HZ PHE 34 -0.489 2.504 1.292 700 H ASN 35 H ASN 35 -7.565 4.534 -1.299 701 HA ASN 35 HA ASN 35 -10.058 3.358 -1.109 702 1HB ASN 35 2HB ASN 35 -9.649 5.789 -0.993 703 2HB ASN 35 1HB ASN 35 -9.280 5.806 -2.713 704 1HD2 ASN 35 1HD2 ASN 35 -11.454 6.826 -0.749 705 2HD2 ASN 35 2HD2 ASN 35 -12.913 6.559 -1.633 706 H ASP 36 H ASP 36 -8.030 3.902 -3.895 707 HA ASP 36 HA ASP 36 -9.968 2.662 -5.692 708 1HB ASP 36 2HB ASP 36 -7.342 4.047 -6.247 709 2HB ASP 36 1HB ASP 36 -8.364 3.331 -7.489 710 H ASN 37 H ASN 37 -7.016 1.841 -4.043 711 HA ASN 37 HA ASN 37 -6.396 -0.354 -5.826 712 1HB ASN 37 2HB ASN 37 -5.293 0.344 -3.093 713 2HB ASN 37 1HB ASN 37 -4.707 -0.976 -4.097 714 1HD2 ASN 37 1HD2 ASN 37 -3.586 1.672 -3.054 715 2HD2 ASN 37 2HD2 ASN 37 -2.862 2.373 -4.459 716 H GLY 38 H GLY 38 -7.688 0.073 -2.584 717 1HA GLY 38 2HA GLY 38 -8.160 -1.949 -1.217 718 2HA GLY 38 1HA GLY 38 -9.605 -1.198 -1.859 719 H VAL 39 H VAL 39 -11.001 -2.514 -2.739 720 HA VAL 39 HA VAL 39 -10.116 -5.210 -3.479 721 HB VAL 39 HB VAL 39 -12.905 -4.232 -2.948 722 1HG1 VAL 39 1HG1 VAL 39 -13.127 -6.778 -2.423 723 2HG1 VAL 39 2HG1 VAL 39 -11.702 -6.918 -3.454 724 3HG1 VAL 39 3HG1 VAL 39 -13.186 -6.212 -4.093 725 1HG2 VAL 39 1HG2 VAL 39 -10.994 -5.616 -1.072 726 2HG2 VAL 39 2HG2 VAL 39 -12.675 -5.211 -0.727 727 3HG2 VAL 39 3HG2 VAL 39 -11.493 -3.927 -0.980 728 H ASP 40 H ASP 40 -10.828 -2.424 -5.247 729 HA ASP 40 HA ASP 40 -11.854 -4.099 -7.433 730 1HB ASP 40 2HB ASP 40 -12.601 -1.236 -6.815 731 2HB ASP 40 1HB ASP 40 -13.104 -2.124 -8.249 732 H GLY 41 H GLY 41 -9.104 -2.898 -6.548 733 1HA GLY 41 2HA GLY 41 -8.429 -1.130 -8.712 734 2HA GLY 41 1HA GLY 41 -7.317 -1.820 -7.544 735 H GLU 42 H GLU 42 -6.549 -1.561 -10.135 736 HA GLU 42 HA GLU 42 -6.868 -4.175 -11.413 737 1HB GLU 42 2HB GLU 42 -5.424 -1.697 -12.386 738 2HB GLU 42 1HB GLU 42 -5.677 -3.167 -13.317 739 1HG GLU 42 2HG GLU 42 -7.281 -1.638 -14.081 740 2HG GLU 42 1HG GLU 42 -8.153 -2.767 -13.046 741 H TRP 43 H TRP 43 -5.603 -5.627 -10.362 742 HA TRP 43 HA TRP 43 -2.865 -4.872 -9.669 743 1HB TRP 43 2HB TRP 43 -4.463 -7.327 -8.935 744 2HB TRP 43 1HB TRP 43 -2.853 -6.939 -8.342 745 HD1 TRP 43 HD TRP 43 -5.632 -4.277 -8.515 746 HE1 TRP 43 1HE TRP 43 -6.205 -3.567 -6.108 747 HE3 TRP 43 3HE TRP 43 -2.808 -7.686 -5.971 748 HZ2 TRP 43 2HZ TRP 43 -5.548 -4.349 -3.486 749 HZ3 TRP 43 3HZ TRP 43 -2.834 -7.638 -3.516 750 HH2 TRP 43 HH TRP 43 -4.177 -6.003 -2.296 751 H THR 44 H THR 44 -1.220 -5.421 -10.928 752 HA THR 44 HA THR 44 -1.555 -7.625 -12.838 753 HB THR 44 HB THR 44 0.462 -6.672 -13.946 754 HG1 THR 44 1HG THR 44 0.156 -4.534 -12.115 755 1HG2 THR 44 1HG2 THR 44 -0.648 -5.093 -15.122 756 2HG2 THR 44 2HG2 THR 44 -1.300 -4.315 -13.679 757 3HG2 THR 44 3HG2 THR 44 -2.022 -5.808 -14.279 758 H TYR 45 H TYR 45 -0.337 -9.453 -12.678 759 HA TYR 45 HA TYR 45 1.506 -9.595 -10.391 760 1HB TYR 45 2HB TYR 45 -0.491 -11.079 -10.351 761 2HB TYR 45 1HB TYR 45 0.085 -11.849 -11.821 762 HD1 TYR 45 1HD TYR 45 2.458 -10.844 -9.214 763 HD2 TYR 45 2HD TYR 45 0.106 -14.033 -10.761 764 HE1 TYR 45 1HE TYR 45 3.746 -12.440 -7.862 765 HE2 TYR 45 2HE TYR 45 1.384 -15.639 -9.410 766 HH TYR 45 HH TYR 45 3.105 -15.930 -8.019 767 H ASP 46 H ASP 46 3.585 -10.268 -10.626 768 HA ASP 46 HA ASP 46 4.463 -11.015 -13.337 769 1HB ASP 46 2HB ASP 46 5.170 -8.719 -12.798 770 2HB ASP 46 1HB ASP 46 5.963 -9.306 -11.340 771 H ASP 47 H ASP 47 4.223 -13.215 -12.656 772 HA ASP 47 HA ASP 47 5.261 -14.482 -10.473 773 1HB ASP 47 2HB ASP 47 5.377 -15.563 -13.296 774 2HB ASP 47 1HB ASP 47 5.376 -16.510 -11.812 775 H ALA 48 H ALA 48 7.004 -13.401 -13.325 776 HA ALA 48 HA ALA 48 9.403 -14.713 -13.057 777 1HB ALA 48 1HB ALA 48 10.361 -13.059 -14.420 778 2HB ALA 48 2HB ALA 48 9.247 -11.821 -13.840 779 3HB ALA 48 3HB ALA 48 8.660 -13.117 -14.882 780 H THR 49 H THR 49 8.221 -11.996 -11.167 781 HA THR 49 HA THR 49 10.709 -12.126 -9.591 782 HB THR 49 HB THR 49 10.399 -9.735 -9.069 783 HG1 THR 49 1HG THR 49 8.085 -9.772 -9.506 784 1HG2 THR 49 1HG2 THR 49 11.840 -10.255 -10.940 785 2HG2 THR 49 2HG2 THR 49 10.925 -8.782 -11.256 786 3HG2 THR 49 3HG2 THR 49 10.449 -10.296 -12.024 787 H LYS 50 H LYS 50 7.749 -13.224 -9.390 788 HA LYS 50 HA LYS 50 6.228 -13.633 -7.715 789 1HB LYS 50 2HB LYS 50 8.774 -13.292 -6.129 790 2HB LYS 50 1HB LYS 50 7.273 -13.888 -5.436 791 1HG LYS 50 2HG LYS 50 8.318 -15.255 -7.851 792 2HG LYS 50 1HG LYS 50 9.158 -15.510 -6.321 793 1HD LYS 50 2HD LYS 50 7.432 -17.213 -6.730 794 2HD LYS 50 1HD LYS 50 7.104 -16.262 -5.285 795 1HE LYS 50 2HE LYS 50 5.076 -16.633 -6.577 796 2HE LYS 50 1HE LYS 50 5.491 -14.923 -6.518 797 1HZ LYS 50 1HZ LYS 50 4.887 -15.394 -8.730 798 2HZ LYS 50 2HZ LYS 50 5.831 -16.795 -8.789 799 3HZ LYS 50 3HZ LYS 50 6.575 -15.276 -8.744 800 H THR 51 H THR 51 6.366 -10.904 -8.579 801 HA THR 51 HA THR 51 5.670 -9.520 -6.072 802 HB THR 51 HB THR 51 6.978 -8.397 -8.553 803 HG1 THR 51 1HG THR 51 8.338 -9.542 -7.075 804 1HG2 THR 51 1HG2 THR 51 7.093 -6.589 -6.388 805 2HG2 THR 51 2HG2 THR 51 5.403 -7.025 -6.646 806 3HG2 THR 51 3HG2 THR 51 6.359 -6.366 -7.976 807 H PHE 52 H PHE 52 3.842 -8.236 -6.043 808 HA PHE 52 HA PHE 52 2.106 -8.481 -8.416 809 1HB PHE 52 2HB PHE 52 1.306 -8.090 -5.535 810 2HB PHE 52 1HB PHE 52 0.205 -8.195 -6.901 811 HD1 PHE 52 1HD PHE 52 -0.190 -10.320 -8.020 812 HD2 PHE 52 2HD PHE 52 2.356 -10.045 -4.622 813 HE1 PHE 52 1HE PHE 52 -0.317 -12.761 -7.730 814 HE2 PHE 52 2HE PHE 52 2.235 -12.485 -4.328 815 HZ PHE 52 HZ PHE 52 0.898 -13.845 -5.883 816 H THR 53 H THR 53 2.647 -6.673 -9.466 817 HA THR 53 HA THR 53 2.808 -4.090 -8.243 818 HB THR 53 HB THR 53 2.603 -3.306 -10.722 819 HG1 THR 53 1HG THR 53 2.305 -4.830 -12.089 820 1HG2 THR 53 1HG2 THR 53 4.721 -2.996 -10.057 821 2HG2 THR 53 2HG2 THR 53 5.007 -4.390 -11.103 822 3HG2 THR 53 3HG2 THR 53 4.858 -4.613 -9.360 823 H VAL 54 H VAL 54 1.298 -2.682 -7.783 824 HA VAL 54 HA VAL 54 -1.426 -3.146 -8.803 825 HB VAL 54 HB VAL 54 -0.594 -1.798 -6.218 826 1HG1 VAL 54 1HG1 VAL 54 -3.161 -1.985 -7.669 827 2HG1 VAL 54 2HG1 VAL 54 -2.577 -0.758 -6.543 828 3HG1 VAL 54 3HG1 VAL 54 -3.221 -2.282 -5.932 829 1HG2 VAL 54 1HG2 VAL 54 -1.972 -3.838 -5.336 830 2HG2 VAL 54 2HG2 VAL 54 -0.272 -4.033 -5.769 831 3HG2 VAL 54 3HG2 VAL 54 -1.534 -4.552 -6.888 832 H THR 55 H THR 55 -1.878 -1.769 -10.388 833 HA THR 55 HA THR 55 -0.745 0.932 -10.288 834 HB THR 55 HB THR 55 -2.031 -0.467 -12.631 835 HG1 THR 55 1HG THR 55 -0.158 -1.319 -13.004 836 1HG2 THR 55 1HG2 THR 55 -0.442 2.074 -12.425 837 2HG2 THR 55 2HG2 THR 55 -2.101 1.880 -12.993 838 3HG2 THR 55 3HG2 THR 55 -0.763 1.234 -13.942 839 H GLU 56 H GLU 56 -1.996 2.534 -9.606 840 HA GLU 56 HA GLU 56 -4.822 2.154 -9.284 841 1HB GLU 56 2HB GLU 56 -4.832 4.353 -8.286 842 2HB GLU 56 1HB GLU 56 -3.447 3.455 -7.683 843 1HG GLU 56 2HG GLU 56 -2.400 5.401 -8.109 844 2HG GLU 56 1HG GLU 56 -2.268 4.700 -9.719 Start of MODEL 27 1 1H MET 1 1HT MET 1 5.007 -18.680 1.595 2 2H MET 1 2HT MET 1 5.973 -18.604 2.983 3 3H MET 1 3HT MET 1 6.218 -19.836 1.850 4 HA MET 1 HA MET 1 7.918 -18.128 1.669 5 1HB MET 1 2HB MET 1 5.957 -18.315 -0.626 6 2HB MET 1 1HB MET 1 7.602 -17.710 -0.773 7 1HG MET 1 2HG MET 1 8.464 -19.885 -0.081 8 2HG MET 1 1HG MET 1 6.815 -20.491 0.062 9 1HE MET 1 1HE MET 1 8.728 -19.180 -3.926 10 2HE MET 1 2HE MET 1 9.556 -19.112 -2.370 11 3HE MET 1 3HE MET 1 8.196 -18.037 -2.693 12 H GLN 2 H GLN 2 8.375 -15.979 0.685 13 HA GLN 2 HA GLN 2 6.390 -14.014 1.597 14 1HB GLN 2 2HB GLN 2 8.564 -13.883 2.728 15 2HB GLN 2 1HB GLN 2 9.372 -13.710 1.176 16 1HG GLN 2 2HG GLN 2 8.214 -11.592 0.806 17 2HG GLN 2 1HG GLN 2 7.403 -11.766 2.363 18 1HE2 GLN 2 1HE2 GLN 2 8.267 -10.585 3.893 19 2HE2 GLN 2 2HE2 GLN 2 9.936 -10.170 4.054 20 H TYR 3 H TYR 3 5.738 -12.358 0.242 21 HA TYR 3 HA TYR 3 6.678 -12.541 -2.543 22 1HB TYR 3 2HB TYR 3 3.858 -12.071 -1.564 23 2HB TYR 3 1HB TYR 3 4.367 -11.924 -3.244 24 HD1 TYR 3 1HD TYR 3 4.321 -13.791 -4.638 25 HD2 TYR 3 2HD TYR 3 4.253 -14.354 -0.422 26 HE1 TYR 3 1HE TYR 3 3.929 -16.194 -4.972 27 HE2 TYR 3 2HE TYR 3 3.862 -16.761 -0.744 28 HH TYR 3 HH TYR 3 4.495 -18.430 -3.077 29 H LYS 4 H LYS 4 6.828 -10.642 -3.724 30 HA LYS 4 HA LYS 4 7.051 -8.234 -2.079 31 1HB LYS 4 2HB LYS 4 9.000 -8.889 -3.433 32 2HB LYS 4 1HB LYS 4 8.024 -8.793 -4.885 33 1HG LYS 4 2HG LYS 4 9.404 -6.824 -4.670 34 2HG LYS 4 1HG LYS 4 7.700 -6.399 -4.520 35 1HD LYS 4 2HD LYS 4 8.805 -5.172 -2.842 36 2HD LYS 4 1HD LYS 4 8.042 -6.524 -2.006 37 1HE LYS 4 2HE LYS 4 10.926 -6.473 -2.887 38 2HE LYS 4 1HE LYS 4 10.378 -6.040 -1.271 39 1HZ LYS 4 1HZ LYS 4 10.743 -8.192 -0.852 40 2HZ LYS 4 2HZ LYS 4 10.685 -8.646 -2.478 41 3HZ LYS 4 3HZ LYS 4 9.250 -8.449 -1.604 42 H VAL 5 H VAL 5 5.225 -7.068 -1.981 43 HA VAL 5 HA VAL 5 3.507 -6.919 -4.343 44 HB VAL 5 HB VAL 5 2.990 -5.985 -1.514 45 1HG1 VAL 5 1HG1 VAL 5 1.245 -6.009 -3.969 46 2HG1 VAL 5 2HG1 VAL 5 1.708 -4.622 -2.984 47 3HG1 VAL 5 3HG1 VAL 5 0.613 -5.840 -2.331 48 1HG2 VAL 5 1HG2 VAL 5 2.511 -8.110 -1.077 49 2HG2 VAL 5 2HG2 VAL 5 2.799 -8.568 -2.756 50 3HG2 VAL 5 3HG2 VAL 5 1.201 -8.013 -2.255 51 H ILE 6 H ILE 6 3.798 -5.299 -5.674 52 HA ILE 6 HA ILE 6 5.079 -2.842 -4.720 53 HB ILE 6 HB ILE 6 4.686 -3.882 -7.528 54 1HG1 ILE 6 2HG1 ILE 6 7.158 -3.644 -5.797 55 2HG1 ILE 6 1HG1 ILE 6 6.344 -5.142 -6.237 56 1HG2 ILE 6 1HG2 ILE 6 6.008 -1.375 -6.520 57 2HG2 ILE 6 2HG2 ILE 6 4.650 -1.512 -7.640 58 3HG2 ILE 6 3HG2 ILE 6 6.261 -2.035 -8.136 59 1HD1 ILE 6 1HD1 ILE 6 8.344 -4.789 -7.567 60 2HD1 ILE 6 2HD1 ILE 6 7.702 -3.250 -8.142 61 3HD1 ILE 6 3HD1 ILE 6 6.898 -4.760 -8.577 62 H LEU 7 H LEU 7 3.954 -1.019 -4.495 63 HA LEU 7 HA LEU 7 1.271 -0.884 -5.688 64 1HB LEU 7 2HB LEU 7 2.354 0.753 -3.394 65 2HB LEU 7 1HB LEU 7 0.688 0.650 -3.925 66 HG LEU 7 HG LEU 7 2.264 -1.586 -2.667 67 1HD1 LEU 7 1HD1 LEU 7 1.352 0.516 -1.343 68 2HD1 LEU 7 2HD1 LEU 7 1.250 -1.115 -0.683 69 3HD1 LEU 7 3HD1 LEU 7 -0.161 -0.382 -1.447 70 1HD2 LEU 7 1HD2 LEU 7 -0.687 -1.616 -3.130 71 2HD2 LEU 7 2HD2 LEU 7 0.434 -2.964 -2.927 72 3HD2 LEU 7 3HD2 LEU 7 0.406 -2.062 -4.440 73 H ASN 8 H ASN 8 1.811 -0.082 -7.691 74 HA ASN 8 HA ASN 8 3.304 2.438 -7.809 75 1HB ASN 8 2HB ASN 8 2.484 0.550 -10.019 76 2HB ASN 8 1HB ASN 8 3.377 2.047 -10.260 77 1HD2 ASN 8 1HD2 ASN 8 3.780 -1.094 -10.277 78 2HD2 ASN 8 2HD2 ASN 8 5.388 -1.234 -9.663 79 H GLY 9 H GLY 9 2.096 4.203 -7.603 80 1HA GLY 9 2HA GLY 9 -0.477 4.290 -9.058 81 2HA GLY 9 1HA GLY 9 -0.177 5.153 -7.557 82 H LYS 10 H LYS 10 -1.005 6.934 -9.020 83 HA LYS 10 HA LYS 10 0.946 7.936 -10.912 84 1HB LYS 10 2HB LYS 10 -1.758 8.920 -10.010 85 2HB LYS 10 1HB LYS 10 -0.721 9.873 -11.062 86 1HG LYS 10 2HG LYS 10 -2.414 8.625 -12.308 87 2HG LYS 10 1HG LYS 10 -0.777 8.138 -12.747 88 1HD LYS 10 2HD LYS 10 -0.968 6.169 -11.325 89 2HD LYS 10 1HD LYS 10 -2.590 6.666 -10.835 90 1HE LYS 10 2HE LYS 10 -1.726 5.998 -13.646 91 2HE LYS 10 1HE LYS 10 -2.640 4.935 -12.576 92 1HZ LYS 10 1HZ LYS 10 -4.160 6.006 -14.037 93 2HZ LYS 10 2HZ LYS 10 -3.523 7.536 -13.700 94 3HZ LYS 10 3HZ LYS 10 -4.374 6.694 -12.504 95 H THR 11 H THR 11 -0.594 9.076 -7.929 96 HA THR 11 HA THR 11 1.544 11.019 -7.530 97 HB THR 11 HB THR 11 -0.040 11.716 -5.615 98 HG1 THR 11 1HG THR 11 -2.270 11.054 -6.237 99 1HG2 THR 11 1HG2 THR 11 -1.078 13.235 -6.939 100 2HG2 THR 11 2HG2 THR 11 -1.501 12.044 -8.167 101 3HG2 THR 11 3HG2 THR 11 0.143 12.675 -8.082 102 H LEU 12 H LEU 12 0.830 7.878 -6.703 103 HA LEU 12 HA LEU 12 2.583 8.047 -4.368 104 1HB LEU 12 2HB LEU 12 0.295 7.870 -3.532 105 2HB LEU 12 1HB LEU 12 0.034 6.437 -4.510 106 HG LEU 12 HG LEU 12 1.531 5.154 -3.182 107 1HD1 LEU 12 1HD1 LEU 12 2.371 6.708 -1.078 108 2HD1 LEU 12 2HD1 LEU 12 2.555 7.772 -2.469 109 3HD1 LEU 12 3HD1 LEU 12 3.353 6.208 -2.454 110 1HD2 LEU 12 1HD2 LEU 12 -0.806 6.192 -2.210 111 2HD2 LEU 12 2HD2 LEU 12 0.333 6.541 -0.910 112 3HD2 LEU 12 3HD2 LEU 12 0.115 4.882 -1.472 113 H LYS 13 H LYS 13 4.104 6.518 -4.239 114 HA LYS 13 HA LYS 13 3.906 4.096 -5.864 115 1HB LYS 13 2HB LYS 13 6.257 5.994 -6.058 116 2HB LYS 13 1HB LYS 13 6.116 4.437 -6.864 117 1HG LYS 13 2HG LYS 13 4.232 5.266 -8.165 118 2HG LYS 13 1HG LYS 13 4.348 6.825 -7.346 119 1HD LYS 13 2HD LYS 13 6.619 7.109 -8.241 120 2HD LYS 13 1HD LYS 13 6.469 5.565 -9.085 121 1HE LYS 13 2HE LYS 13 6.036 7.432 -10.593 122 2HE LYS 13 1HE LYS 13 4.591 6.445 -10.373 123 1HZ LYS 13 1HZ LYS 13 3.500 8.118 -9.382 124 2HZ LYS 13 2HZ LYS 13 4.637 9.106 -10.153 125 3HZ LYS 13 3HZ LYS 13 4.857 8.667 -8.534 126 H GLY 14 H GLY 14 5.120 2.363 -5.036 127 1HA GLY 14 2HA GLY 14 7.172 2.627 -3.128 128 2HA GLY 14 1HA GLY 14 5.650 2.421 -2.282 129 H GLU 15 H GLU 15 6.901 0.530 -1.485 130 HA GLU 15 HA GLU 15 6.153 -1.804 -3.056 131 1HB GLU 15 2HB GLU 15 8.951 -1.376 -1.993 132 2HB GLU 15 1HB GLU 15 8.354 -2.873 -2.696 133 1HG GLU 15 2HG GLU 15 7.988 -1.726 -4.823 134 2HG GLU 15 1HG GLU 15 8.597 -0.231 -4.117 135 H THR 16 H THR 16 5.634 -3.572 -1.847 136 HA THR 16 HA THR 16 6.086 -3.507 1.028 137 HB THR 16 HB THR 16 3.981 -2.556 1.113 138 HG1 THR 16 1HG THR 16 3.324 -5.280 0.944 139 1HG2 THR 16 1HG2 THR 16 2.057 -3.307 -0.293 140 2HG2 THR 16 2HG2 THR 16 3.213 -4.210 -1.267 141 3HG2 THR 16 3HG2 THR 16 3.336 -2.457 -1.157 142 H THR 17 H THR 17 5.306 -5.650 2.055 143 HA THR 17 HA THR 17 5.511 -7.880 0.169 144 HB THR 17 HB THR 17 7.259 -8.956 1.543 145 HG1 THR 17 1HG THR 17 7.231 -6.468 2.893 146 1HG2 THR 17 1HG2 THR 17 8.103 -6.229 0.605 147 2HG2 THR 17 2HG2 THR 17 7.928 -7.649 -0.422 148 3HG2 THR 17 3HG2 THR 17 9.144 -7.631 0.854 149 H THR 18 H THR 18 4.032 -9.336 0.581 150 HA THR 18 HA THR 18 2.968 -9.638 3.324 151 HB THR 18 HB THR 18 1.316 -8.959 1.597 152 HG1 THR 18 1HG THR 18 0.749 -10.361 3.370 153 1HG2 THR 18 1HG2 THR 18 1.647 -9.794 -0.453 154 2HG2 THR 18 2HG2 THR 18 0.674 -11.133 0.153 155 3HG2 THR 18 3HG2 THR 18 2.433 -11.254 0.147 156 H GLU 19 H GLU 19 2.790 -11.726 4.192 157 HA GLU 19 HA GLU 19 4.393 -13.772 2.804 158 1HB GLU 19 2HB GLU 19 5.281 -13.081 4.982 159 2HB GLU 19 1HB GLU 19 3.750 -13.481 5.748 160 1HG GLU 19 2HG GLU 19 4.064 -15.827 5.153 161 2HG GLU 19 1HG GLU 19 5.599 -15.426 4.384 162 H ALA 20 H ALA 20 3.229 -15.342 1.853 163 HA ALA 20 HA ALA 20 0.938 -16.449 3.280 164 1HB ALA 20 1HB ALA 20 -0.649 -15.985 1.727 165 2HB ALA 20 2HB ALA 20 0.502 -15.968 0.389 166 3HB ALA 20 3HB ALA 20 0.387 -14.580 1.471 167 H VAL 21 H VAL 21 0.404 -18.537 2.722 168 HA VAL 21 HA VAL 21 2.421 -20.307 2.135 169 HB VAL 21 HB VAL 21 -0.487 -20.821 1.517 170 1HG1 VAL 21 1HG1 VAL 21 0.038 -22.975 1.283 171 2HG1 VAL 21 2HG1 VAL 21 1.085 -22.962 2.702 172 3HG1 VAL 21 3HG1 VAL 21 1.710 -22.434 1.140 173 1HG2 VAL 21 1HG2 VAL 21 0.986 -20.732 4.125 174 2HG2 VAL 21 2HG2 VAL 21 -0.445 -21.741 3.916 175 3HG2 VAL 21 3HG2 VAL 21 -0.557 -19.995 3.693 176 H ASP 22 H ASP 22 0.436 -18.542 -0.103 177 HA ASP 22 HA ASP 22 2.116 -19.413 -2.288 178 1HB ASP 22 2HB ASP 22 0.311 -20.230 -3.717 179 2HB ASP 22 1HB ASP 22 0.426 -21.194 -2.248 180 H ALA 23 H ALA 23 1.130 -18.425 -4.448 181 HA ALA 23 HA ALA 23 1.244 -15.643 -4.137 182 1HB ALA 23 1HB ALA 23 0.570 -17.444 -6.421 183 2HB ALA 23 2HB ALA 23 1.951 -16.367 -6.213 184 3HB ALA 23 3HB ALA 23 0.361 -15.699 -6.577 185 H ALA 24 H ALA 24 -1.505 -17.801 -4.666 186 HA ALA 24 HA ALA 24 -3.465 -15.796 -4.936 187 1HB ALA 24 1HB ALA 24 -5.048 -17.491 -4.788 188 2HB ALA 24 2HB ALA 24 -4.076 -18.440 -3.663 189 3HB ALA 24 3HB ALA 24 -3.622 -18.354 -5.365 190 H THR 25 H THR 25 -2.551 -17.733 -2.076 191 HA THR 25 HA THR 25 -4.158 -16.507 -0.198 192 HB THR 25 HB THR 25 -2.387 -17.152 1.443 193 HG1 THR 25 1HG THR 25 -0.946 -17.514 -0.922 194 1HG2 THR 25 1HG2 THR 25 -3.537 -19.019 -0.501 195 2HG2 THR 25 2HG2 THR 25 -3.595 -19.030 1.261 196 3HG2 THR 25 3HG2 THR 25 -2.163 -19.625 0.424 197 H ALA 26 H ALA 26 -0.949 -15.584 -1.370 198 HA ALA 26 HA ALA 26 -0.578 -13.320 0.241 199 1HB ALA 26 1HB ALA 26 0.674 -12.641 -2.092 200 2HB ALA 26 2HB ALA 26 0.598 -14.398 -2.219 201 3HB ALA 26 3HB ALA 26 1.376 -13.648 -0.826 202 H GLU 27 H GLU 27 -1.927 -13.624 -3.056 203 HA GLU 27 HA GLU 27 -2.588 -11.010 -3.543 204 1HB GLU 27 2HB GLU 27 -2.850 -12.715 -5.232 205 2HB GLU 27 1HB GLU 27 -4.098 -13.512 -4.287 206 1HG GLU 27 2HG GLU 27 -5.040 -12.268 -6.148 207 2HG GLU 27 1HG GLU 27 -5.577 -11.618 -4.598 208 H LYS 28 H LYS 28 -4.611 -13.465 -1.931 209 HA LYS 28 HA LYS 28 -6.749 -11.709 -1.368 210 1HB LYS 28 2HB LYS 28 -5.893 -14.379 -0.299 211 2HB LYS 28 1HB LYS 28 -7.233 -13.509 0.443 212 1HG LYS 28 2HG LYS 28 -7.818 -15.223 -1.329 213 2HG LYS 28 1HG LYS 28 -8.533 -13.620 -1.505 214 1HD LYS 28 2HD LYS 28 -6.826 -13.024 -3.142 215 2HD LYS 28 1HD LYS 28 -6.074 -14.611 -2.949 216 1HE LYS 28 2HE LYS 28 -7.461 -14.545 -4.952 217 2HE LYS 28 1HE LYS 28 -8.113 -15.680 -3.771 218 1HZ LYS 28 1HZ LYS 28 -9.708 -13.979 -3.094 219 2HZ LYS 28 2HZ LYS 28 -9.866 -14.352 -4.736 220 3HZ LYS 28 3HZ LYS 28 -9.097 -12.921 -4.265 221 H VAL 29 H VAL 29 -4.027 -12.834 0.647 222 HA VAL 29 HA VAL 29 -4.683 -11.430 2.959 223 HB VAL 29 HB VAL 29 -1.906 -11.984 1.892 224 1HG1 VAL 29 1HG1 VAL 29 -2.103 -12.033 4.742 225 2HG1 VAL 29 2HG1 VAL 29 -2.723 -10.498 4.138 226 3HG1 VAL 29 3HG1 VAL 29 -1.092 -11.020 3.714 227 1HG2 VAL 29 1HG2 VAL 29 -2.065 -14.114 2.585 228 2HG2 VAL 29 2HG2 VAL 29 -3.804 -13.846 2.472 229 3HG2 VAL 29 3HG2 VAL 29 -2.986 -13.679 4.026 230 H VAL 30 H VAL 30 -2.919 -10.419 0.084 231 HA VAL 30 HA VAL 30 -2.284 -7.807 1.016 232 HB VAL 30 HB VAL 30 -2.612 -8.795 -1.830 233 1HG1 VAL 30 1HG1 VAL 30 -1.430 -6.871 -2.540 234 2HG1 VAL 30 2HG1 VAL 30 -1.022 -6.421 -0.885 235 3HG1 VAL 30 3HG1 VAL 30 -2.688 -6.294 -1.448 236 1HG2 VAL 30 1HG2 VAL 30 0.064 -8.350 -0.672 237 2HG2 VAL 30 2HG2 VAL 30 -0.498 -9.591 -1.793 238 3HG2 VAL 30 3HG2 VAL 30 -0.825 -9.748 -0.066 239 H LYS 31 H LYS 31 -4.862 -9.142 -1.068 240 HA LYS 31 HA LYS 31 -6.321 -6.906 -1.642 241 1HB LYS 31 2HB LYS 31 -7.276 -9.675 -0.938 242 2HB LYS 31 1HB LYS 31 -8.370 -8.412 -1.477 243 1HG LYS 31 2HG LYS 31 -6.045 -9.489 -3.044 244 2HG LYS 31 1HG LYS 31 -7.738 -9.916 -3.280 245 1HD LYS 31 2HD LYS 31 -6.953 -7.053 -3.350 246 2HD LYS 31 1HD LYS 31 -6.582 -8.075 -4.746 247 1HE LYS 31 2HE LYS 31 -8.717 -6.988 -5.068 248 2HE LYS 31 1HE LYS 31 -8.958 -8.719 -4.862 249 1HZ LYS 31 1HZ LYS 31 -9.859 -8.435 -2.774 250 2HZ LYS 31 2HZ LYS 31 -10.468 -7.089 -3.596 251 3HZ LYS 31 3HZ LYS 31 -9.156 -6.913 -2.544 252 H GLN 32 H GLN 32 -6.568 -8.911 1.243 253 HA GLN 32 HA GLN 32 -8.577 -7.405 2.491 254 1HB GLN 32 2HB GLN 32 -7.674 -9.737 3.135 255 2HB GLN 32 1HB GLN 32 -6.466 -8.855 4.064 256 1HG GLN 32 2HG GLN 32 -8.251 -9.434 5.529 257 2HG GLN 32 1HG GLN 32 -8.315 -7.693 5.250 258 1HE2 GLN 32 1HE2 GLN 32 -9.871 -6.905 3.693 259 2HE2 GLN 32 2HE2 GLN 32 -11.342 -7.773 3.437 260 H PHE 33 H PHE 33 -5.107 -7.039 2.410 261 HA PHE 33 HA PHE 33 -4.662 -5.246 4.465 262 1HB PHE 33 2HB PHE 33 -2.973 -6.311 2.875 263 2HB PHE 33 1HB PHE 33 -3.379 -5.038 1.733 264 HD1 PHE 33 1HD PHE 33 -2.494 -5.323 5.341 265 HD2 PHE 33 2HD PHE 33 -1.916 -3.270 1.647 266 HE1 PHE 33 1HE PHE 33 -0.851 -3.841 6.416 267 HE2 PHE 33 2HE PHE 33 -0.267 -1.798 2.727 268 HZ PHE 33 HZ PHE 33 0.266 -2.087 5.114 269 H PHE 34 H PHE 34 -4.898 -4.219 1.101 270 HA PHE 34 HA PHE 34 -5.519 -1.538 1.667 271 1HB PHE 34 2HB PHE 34 -6.091 -3.083 -0.862 272 2HB PHE 34 1HB PHE 34 -5.987 -1.326 -0.711 273 HD1 PHE 34 1HD PHE 34 -3.729 -0.695 0.743 274 HD2 PHE 34 2HD PHE 34 -4.253 -3.987 -1.881 275 HE1 PHE 34 1HE PHE 34 -1.295 -0.822 0.427 276 HE2 PHE 34 2HE PHE 34 -1.821 -4.119 -2.219 277 HZ PHE 34 HZ PHE 34 -0.344 -2.535 -1.051 278 H ASN 35 H ASN 35 -7.577 -4.321 1.061 279 HA ASN 35 HA ASN 35 -10.050 -3.124 0.726 280 1HB ASN 35 2HB ASN 35 -9.661 -5.548 0.584 281 2HB ASN 35 1HB ASN 35 -9.364 -5.612 2.318 282 1HD2 ASN 35 1HD2 ASN 35 -11.478 -6.510 0.192 283 2HD2 ASN 35 2HD2 ASN 35 -12.964 -6.280 1.043 284 H ASP 36 H ASP 36 -8.202 -3.738 3.620 285 HA ASP 36 HA ASP 36 -10.230 -2.520 5.334 286 1HB ASP 36 2HB ASP 36 -7.645 -3.933 6.011 287 2HB ASP 36 1HB ASP 36 -8.750 -3.254 7.204 288 H ASN 37 H ASN 37 -7.161 -1.711 3.905 289 HA ASN 37 HA ASN 37 -6.611 0.434 5.762 290 1HB ASN 37 2HB ASN 37 -5.377 -0.197 3.071 291 2HB ASN 37 1HB ASN 37 -4.798 1.040 4.180 292 1HD2 ASN 37 1HD2 ASN 37 -3.763 -1.616 3.048 293 2HD2 ASN 37 2HD2 ASN 37 -3.132 -2.408 4.448 294 H GLY 38 H GLY 38 -7.806 0.080 2.496 295 1HA GLY 38 2HA GLY 38 -8.132 2.116 1.103 296 2HA GLY 38 1HA GLY 38 -9.627 1.432 1.695 297 H VAL 39 H VAL 39 -10.995 2.790 2.548 298 HA VAL 39 HA VAL 39 -10.243 5.520 2.933 299 HB VAL 39 HB VAL 39 -12.906 4.170 3.246 300 1HG1 VAL 39 1HG1 VAL 39 -12.253 7.114 3.118 301 2HG1 VAL 39 2HG1 VAL 39 -12.822 6.244 4.542 302 3HG1 VAL 39 3HG1 VAL 39 -13.871 6.414 3.135 303 1HG2 VAL 39 1HG2 VAL 39 -11.363 4.936 0.964 304 2HG2 VAL 39 2HG2 VAL 39 -12.834 5.907 1.036 305 3HG2 VAL 39 3HG2 VAL 39 -12.939 4.146 1.030 306 H ASP 40 H ASP 40 -11.832 3.210 5.211 307 HA ASP 40 HA ASP 40 -11.371 5.127 7.328 308 1HB ASP 40 2HB ASP 40 -12.728 2.430 7.360 309 2HB ASP 40 1HB ASP 40 -12.668 3.549 8.719 310 H GLY 41 H GLY 41 -9.058 3.626 6.114 311 1HA GLY 41 2HA GLY 41 -8.150 1.701 7.975 312 2HA GLY 41 1HA GLY 41 -7.140 2.590 6.847 313 H GLU 42 H GLU 42 -6.789 1.830 9.728 314 HA GLU 42 HA GLU 42 -6.809 4.336 11.167 315 1HB GLU 42 2HB GLU 42 -5.587 1.666 11.896 316 2HB GLU 42 1HB GLU 42 -5.737 3.044 12.977 317 1HG GLU 42 2HG GLU 42 -8.017 1.523 11.735 318 2HG GLU 42 1HG GLU 42 -7.455 1.375 13.398 319 H TRP 43 H TRP 43 -5.456 5.745 10.085 320 HA TRP 43 HA TRP 43 -2.654 4.920 9.744 321 1HB TRP 43 2HB TRP 43 -4.000 7.368 8.604 322 2HB TRP 43 1HB TRP 43 -2.418 6.734 8.182 323 HD1 TRP 43 HD TRP 43 -4.932 3.966 8.315 324 HE1 TRP 43 1HE TRP 43 -5.669 3.350 5.923 325 HE3 TRP 43 3HE TRP 43 -2.914 7.923 5.798 326 HZ2 TRP 43 2HZ TRP 43 -5.428 4.402 3.333 327 HZ3 TRP 43 3HZ TRP 43 -3.205 8.040 3.360 328 HH2 TRP 43 HH TRP 43 -4.437 6.314 2.151 329 H THR 44 H THR 44 -1.042 5.872 10.849 330 HA THR 44 HA THR 44 -1.714 8.178 12.553 331 HB THR 44 HB THR 44 0.182 7.417 14.001 332 HG1 THR 44 1HG THR 44 0.036 4.985 12.572 333 1HG2 THR 44 1HG2 THR 44 -2.178 6.775 14.491 334 2HG2 THR 44 2HG2 THR 44 -0.956 5.677 15.131 335 3HG2 THR 44 3HG2 THR 44 -1.860 5.241 13.681 336 H TYR 45 H TYR 45 -0.283 9.940 12.565 337 HA TYR 45 HA TYR 45 1.694 9.893 10.381 338 1HB TYR 45 2HB TYR 45 -0.231 11.416 10.051 339 2HB TYR 45 1HB TYR 45 0.217 12.271 11.522 340 HD1 TYR 45 1HD TYR 45 2.566 10.998 8.952 341 HD2 TYR 45 2HD TYR 45 0.657 14.412 10.626 342 HE1 TYR 45 1HE TYR 45 4.042 12.461 7.640 343 HE2 TYR 45 2HE TYR 45 2.130 15.883 9.318 344 HH TYR 45 HH TYR 45 4.694 15.429 8.231 345 H ASP 46 H ASP 46 3.728 10.702 10.672 346 HA ASP 46 HA ASP 46 4.467 11.496 13.412 347 1HB ASP 46 2HB ASP 46 5.268 9.224 12.938 348 2HB ASP 46 1HB ASP 46 6.081 9.804 11.488 349 H ASP 47 H ASP 47 4.277 13.693 12.806 350 HA ASP 47 HA ASP 47 5.281 15.008 10.636 351 1HB ASP 47 2HB ASP 47 5.377 16.001 13.491 352 2HB ASP 47 1HB ASP 47 5.450 17.005 12.049 353 H ALA 48 H ALA 48 7.091 13.948 13.474 354 HA ALA 48 HA ALA 48 9.461 15.281 13.163 355 1HB ALA 48 1HB ALA 48 8.705 13.535 14.925 356 2HB ALA 48 2HB ALA 48 10.421 13.723 14.568 357 3HB ALA 48 3HB ALA 48 9.516 12.381 13.867 358 H THR 49 H THR 49 8.287 12.578 11.258 359 HA THR 49 HA THR 49 10.681 12.849 9.564 360 HB THR 49 HB THR 49 10.554 10.423 9.093 361 HG1 THR 49 1HG THR 49 8.328 10.175 9.667 362 1HG2 THR 49 1HG2 THR 49 11.340 9.575 11.248 363 2HG2 THR 49 2HG2 THR 49 10.801 11.067 12.020 364 3HG2 THR 49 3HG2 THR 49 12.092 11.111 10.820 365 H LYS 50 H LYS 50 7.641 13.675 9.559 366 HA LYS 50 HA LYS 50 5.943 13.871 8.027 367 1HB LYS 50 2HB LYS 50 8.319 13.798 6.164 368 2HB LYS 50 1HB LYS 50 6.699 14.305 5.704 369 1HG LYS 50 2HG LYS 50 7.212 15.861 7.902 370 2HG LYS 50 1HG LYS 50 8.788 15.761 7.112 371 1HD LYS 50 2HD LYS 50 7.784 16.502 5.010 372 2HD LYS 50 1HD LYS 50 6.203 16.571 5.793 373 1HE LYS 50 2HE LYS 50 7.048 18.281 7.332 374 2HE LYS 50 1HE LYS 50 8.619 18.217 6.534 375 1HZ LYS 50 1HZ LYS 50 6.961 18.664 4.469 376 2HZ LYS 50 2HZ LYS 50 7.787 19.877 5.311 377 3HZ LYS 50 3HZ LYS 50 6.182 19.522 5.703 378 H THR 51 H THR 51 6.509 11.194 8.866 379 HA THR 51 HA THR 51 5.830 9.689 6.427 380 HB THR 51 HB THR 51 7.189 8.703 8.943 381 HG1 THR 51 1HG THR 51 8.970 8.448 7.522 382 1HG2 THR 51 1HG2 THR 51 5.706 7.158 7.264 383 2HG2 THR 51 2HG2 THR 51 7.060 6.594 8.242 384 3HG2 THR 51 3HG2 THR 51 7.316 7.036 6.554 385 H PHE 52 H PHE 52 4.101 8.326 6.436 386 HA PHE 52 HA PHE 52 2.351 8.433 8.807 387 1HB PHE 52 2HB PHE 52 1.532 7.928 5.938 388 2HB PHE 52 1HB PHE 52 0.464 8.179 7.313 389 HD1 PHE 52 1HD PHE 52 -0.525 10.234 7.487 390 HD2 PHE 52 2HD PHE 52 3.281 9.939 5.603 391 HE1 PHE 52 1HE PHE 52 -0.591 12.642 6.983 392 HE2 PHE 52 2HE PHE 52 3.222 12.346 5.103 393 HZ PHE 52 HZ PHE 52 1.286 13.701 5.793 394 H THR 53 H THR 53 1.408 6.501 9.536 395 HA THR 53 HA THR 53 2.397 4.061 8.232 396 HB THR 53 HB THR 53 2.214 3.084 10.637 397 HG1 THR 53 1HG THR 53 1.435 5.397 11.247 398 1HG2 THR 53 1HG2 THR 53 4.535 4.111 11.186 399 2HG2 THR 53 2HG2 THR 53 4.417 4.762 9.552 400 3HG2 THR 53 3HG2 THR 53 4.347 3.018 9.815 401 H VAL 54 H VAL 54 0.946 2.613 7.660 402 HA VAL 54 HA VAL 54 -1.816 2.941 8.626 403 HB VAL 54 HB VAL 54 -0.854 1.622 6.069 404 1HG1 VAL 54 1HG1 VAL 54 -3.665 2.343 6.237 405 2HG1 VAL 54 2HG1 VAL 54 -3.204 1.155 7.454 406 3HG1 VAL 54 3HG1 VAL 54 -2.916 0.825 5.746 407 1HG2 VAL 54 1HG2 VAL 54 -1.698 4.370 6.742 408 2HG2 VAL 54 2HG2 VAL 54 -2.371 3.686 5.261 409 3HG2 VAL 54 3HG2 VAL 54 -0.622 3.787 5.471 410 H THR 55 H THR 55 -2.313 1.530 10.174 411 HA THR 55 HA THR 55 -1.040 -1.109 10.137 412 HB THR 55 HB THR 55 -2.499 0.255 12.399 413 HG1 THR 55 1HG THR 55 -0.503 1.255 11.824 414 1HG2 THR 55 1HG2 THR 55 -1.234 -1.421 13.780 415 2HG2 THR 55 2HG2 THR 55 -0.907 -2.286 12.278 416 3HG2 THR 55 3HG2 THR 55 -2.569 -2.062 12.825 417 H GLU 56 H GLU 56 -2.161 -2.768 9.385 418 HA GLU 56 HA GLU 56 -4.819 -2.705 8.603 419 1HB GLU 56 2HB GLU 56 -2.998 -4.392 7.999 420 2HB GLU 56 1HB GLU 56 -3.396 -5.207 9.502 421 1HG GLU 56 2HG GLU 56 -5.308 -4.718 7.228 422 2HG GLU 56 1HG GLU 56 -4.464 -6.230 7.546 423 1H MET 1 1HT MET 1 5.482 18.605 -1.432 424 2H MET 1 2HT MET 1 6.464 18.505 -2.806 425 3H MET 1 3HT MET 1 6.724 19.732 -1.669 426 HA MET 1 HA MET 1 8.380 17.983 -1.466 427 1HB MET 1 2HB MET 1 6.391 18.217 0.801 428 2HB MET 1 1HB MET 1 8.016 17.573 0.973 429 1HG MET 1 2HG MET 1 8.942 19.726 0.293 430 2HG MET 1 1HG MET 1 7.311 20.372 0.127 431 1HE MET 1 1HE MET 1 9.135 19.015 4.140 432 2HE MET 1 2HE MET 1 9.984 18.927 2.597 433 3HE MET 1 3HE MET 1 8.594 17.886 2.900 434 H GLN 2 H GLN 2 8.771 15.823 -0.475 435 HA GLN 2 HA GLN 2 6.750 13.908 -1.415 436 1HB GLN 2 2HB GLN 2 8.937 13.723 -2.515 437 2HB GLN 2 1HB GLN 2 9.718 13.531 -0.952 438 1HG GLN 2 2HG GLN 2 8.504 11.442 -0.599 439 2HG GLN 2 1HG GLN 2 7.721 11.635 -2.166 440 1HE2 GLN 2 1HE2 GLN 2 8.576 10.432 -3.685 441 2HE2 GLN 2 2HE2 GLN 2 10.237 9.978 -3.821 442 H TYR 3 H TYR 3 6.038 12.268 -0.068 443 HA TYR 3 HA TYR 3 6.944 12.429 2.730 444 1HB TYR 3 2HB TYR 3 4.128 12.026 1.709 445 2HB TYR 3 1HB TYR 3 4.609 11.868 3.397 446 HD1 TYR 3 1HD TYR 3 4.589 13.735 4.790 447 HD2 TYR 3 2HD TYR 3 4.593 14.299 0.573 448 HE1 TYR 3 1HE TYR 3 4.250 16.148 5.118 449 HE2 TYR 3 2HE TYR 3 4.258 16.714 0.891 450 HH TYR 3 HH TYR 3 4.898 18.368 3.234 451 H LYS 4 H LYS 4 7.031 10.527 3.910 452 HA LYS 4 HA LYS 4 7.218 8.114 2.268 453 1HB LYS 4 2HB LYS 4 9.165 8.722 3.651 454 2HB LYS 4 1HB LYS 4 8.166 8.649 5.089 455 1HG LYS 4 2HG LYS 4 9.500 6.648 4.894 456 2HG LYS 4 1HG LYS 4 7.788 6.265 4.719 457 1HD LYS 4 2HD LYS 4 8.887 5.010 3.056 458 2HD LYS 4 1HD LYS 4 8.169 6.379 2.210 459 1HE LYS 4 2HE LYS 4 11.038 6.260 3.132 460 2HE LYS 4 1HE LYS 4 10.503 5.838 1.507 461 1HZ LYS 4 1HZ LYS 4 10.926 7.982 1.093 462 2HZ LYS 4 2HZ LYS 4 10.856 8.437 2.720 463 3HZ LYS 4 3HZ LYS 4 9.429 8.274 1.825 464 H VAL 5 H VAL 5 5.367 6.994 2.145 465 HA VAL 5 HA VAL 5 3.612 6.886 4.483 466 HB VAL 5 HB VAL 5 3.113 5.964 1.645 467 1HG1 VAL 5 1HG1 VAL 5 1.335 6.030 4.076 468 2HG1 VAL 5 2HG1 VAL 5 1.778 4.633 3.097 469 3HG1 VAL 5 3HG1 VAL 5 0.721 5.878 2.430 470 1HG2 VAL 5 1HG2 VAL 5 2.691 8.100 1.204 471 2HG2 VAL 5 2HG2 VAL 5 2.967 8.550 2.886 472 3HG2 VAL 5 3HG2 VAL 5 1.364 8.035 2.363 473 H ILE 6 H ILE 6 3.844 5.258 5.818 474 HA ILE 6 HA ILE 6 5.079 2.771 4.882 475 HB ILE 6 HB ILE 6 4.673 3.820 7.684 476 1HG1 ILE 6 2HG1 ILE 6 7.161 3.524 5.987 477 2HG1 ILE 6 1HG1 ILE 6 6.377 5.040 6.416 478 1HG2 ILE 6 1HG2 ILE 6 5.948 1.283 6.694 479 2HG2 ILE 6 2HG2 ILE 6 4.577 1.453 7.794 480 3HG2 ILE 6 3HG2 ILE 6 6.192 1.934 8.315 481 1HD1 ILE 6 1HD1 ILE 6 8.349 4.639 7.775 482 2HD1 ILE 6 2HD1 ILE 6 7.662 3.117 8.341 483 3HD1 ILE 6 3HD1 ILE 6 6.890 4.644 8.764 484 H LEU 7 H LEU 7 3.914 0.976 4.640 485 HA LEU 7 HA LEU 7 1.212 0.907 5.795 486 1HB LEU 7 2HB LEU 7 2.287 -0.756 3.516 487 2HB LEU 7 1HB LEU 7 0.618 -0.615 4.024 488 HG LEU 7 HG LEU 7 2.263 1.584 2.788 489 1HD1 LEU 7 1HD1 LEU 7 1.320 -0.496 1.452 490 2HD1 LEU 7 2HD1 LEU 7 1.268 1.136 0.789 491 3HD1 LEU 7 3HD1 LEU 7 -0.172 0.439 1.535 492 1HD2 LEU 7 1HD2 LEU 7 -0.691 1.685 3.211 493 2HD2 LEU 7 2HD2 LEU 7 0.465 3.006 3.024 494 3HD2 LEU 7 3HD2 LEU 7 0.393 2.105 4.535 495 H ASN 8 H ASN 8 1.703 0.092 7.805 496 HA ASN 8 HA ASN 8 3.133 -2.464 7.944 497 1HB ASN 8 2HB ASN 8 2.328 -0.557 10.143 498 2HB ASN 8 1HB ASN 8 3.181 -2.074 10.397 499 1HD2 ASN 8 1HD2 ASN 8 3.660 1.056 10.420 500 2HD2 ASN 8 2HD2 ASN 8 5.279 1.157 9.828 501 H GLY 9 H GLY 9 1.885 -4.199 7.720 502 1HA GLY 9 2HA GLY 9 -0.708 -4.223 9.138 503 2HA GLY 9 1HA GLY 9 -0.407 -5.094 7.642 504 H LYS 10 H LYS 10 -1.301 -6.853 9.093 505 HA LYS 10 HA LYS 10 0.598 -7.903 11.012 506 1HB LYS 10 2HB LYS 10 -2.115 -8.820 10.073 507 2HB LYS 10 1HB LYS 10 -1.117 -9.799 11.139 508 1HG LYS 10 2HG LYS 10 -2.798 -8.509 12.362 509 2HG LYS 10 1HG LYS 10 -1.154 -8.062 12.823 510 1HD LYS 10 2HD LYS 10 -1.277 -6.088 11.399 511 2HD LYS 10 1HD LYS 10 -2.904 -6.548 10.885 512 1HE LYS 10 2HE LYS 10 -2.064 -5.900 13.709 513 2HE LYS 10 1HE LYS 10 -2.936 -4.814 12.627 514 1HZ LYS 10 1HZ LYS 10 -4.504 -5.848 14.063 515 2HZ LYS 10 2HZ LYS 10 -3.898 -7.392 13.736 516 3HZ LYS 10 3HZ LYS 10 -4.711 -6.531 12.529 517 H THR 11 H THR 11 -0.927 -9.005 8.008 518 HA THR 11 HA THR 11 1.169 -10.999 7.638 519 HB THR 11 HB THR 11 -0.404 -11.658 5.702 520 HG1 THR 11 1HG THR 11 -2.626 -10.941 6.292 521 1HG2 THR 11 1HG2 THR 11 -1.498 -13.152 7.010 522 2HG2 THR 11 2HG2 THR 11 -1.908 -11.949 8.233 523 3HG2 THR 11 3HG2 THR 11 -0.279 -12.622 8.171 524 H LEU 12 H LEU 12 0.544 -7.843 6.803 525 HA LEU 12 HA LEU 12 2.325 -8.054 4.491 526 1HB LEU 12 2HB LEU 12 0.054 -7.822 3.625 527 2HB LEU 12 1HB LEU 12 -0.186 -6.383 4.598 528 HG LEU 12 HG LEU 12 1.360 -5.137 3.291 529 1HD1 LEU 12 1HD1 LEU 12 2.193 -6.711 1.200 530 2HD1 LEU 12 2HD1 LEU 12 2.330 -7.779 2.593 531 3HD1 LEU 12 3HD1 LEU 12 3.167 -6.233 2.591 532 1HD2 LEU 12 1HD2 LEU 12 -0.988 -6.117 2.287 533 2HD2 LEU 12 2HD2 LEU 12 0.161 -6.495 1.004 534 3HD2 LEU 12 3HD2 LEU 12 -0.024 -4.831 1.563 535 H LYS 13 H LYS 13 3.885 -6.561 4.386 536 HA LYS 13 HA LYS 13 3.723 -4.135 6.009 537 1HB LYS 13 2HB LYS 13 6.024 -6.090 6.236 538 2HB LYS 13 1HB LYS 13 5.910 -4.530 7.038 539 1HG LYS 13 2HG LYS 13 3.987 -5.313 8.313 540 2HG LYS 13 1HG LYS 13 4.077 -6.875 7.496 541 1HD LYS 13 2HD LYS 13 6.328 -7.213 8.422 542 2HD LYS 13 1HD LYS 13 6.204 -5.666 9.263 543 1HE LYS 13 2HE LYS 13 5.704 -7.522 10.764 544 2HE LYS 13 1HE LYS 13 4.286 -6.501 10.526 545 1HZ LYS 13 1HZ LYS 13 3.168 -8.147 9.519 546 2HZ LYS 13 2HZ LYS 13 4.270 -9.162 10.304 547 3HZ LYS 13 3HZ LYS 13 4.524 -8.729 8.690 548 H GLY 14 H GLY 14 4.990 -2.433 5.198 549 1HA GLY 14 2HA GLY 14 7.061 -2.746 3.319 550 2HA GLY 14 1HA GLY 14 5.556 -2.504 2.451 551 H GLU 15 H GLU 15 6.864 -0.644 1.671 552 HA GLU 15 HA GLU 15 6.152 1.707 3.233 553 1HB GLU 15 2HB GLU 15 8.955 1.212 2.209 554 2HB GLU 15 1HB GLU 15 8.382 2.722 2.904 555 1HG GLU 15 2HG GLU 15 7.958 1.584 5.026 556 2HG GLU 15 1HG GLU 15 8.541 0.074 4.329 557 H THR 16 H THR 16 5.692 3.487 2.018 558 HA THR 16 HA THR 16 6.183 3.410 -0.851 559 HB THR 16 HB THR 16 4.057 2.512 -0.966 560 HG1 THR 16 1HG THR 16 3.463 5.250 -0.806 561 1HG2 THR 16 1HG2 THR 16 2.132 3.308 0.413 562 2HG2 THR 16 2HG2 THR 16 3.296 4.184 1.402 563 3HG2 THR 16 3HG2 THR 16 3.379 2.427 1.294 564 H THR 17 H THR 17 5.469 5.571 -1.890 565 HA THR 17 HA THR 17 5.703 7.797 -0.001 566 HB THR 17 HB THR 17 7.495 8.830 -1.350 567 HG1 THR 17 1HG THR 17 7.426 6.343 -2.700 568 1HG2 THR 17 1HG2 THR 17 8.261 6.083 -0.399 569 2HG2 THR 17 2HG2 THR 17 8.105 7.507 0.625 570 3HG2 THR 17 3HG2 THR 17 9.336 7.459 -0.634 571 H THR 18 H THR 18 4.266 9.288 -0.432 572 HA THR 18 HA THR 18 3.247 9.616 -3.191 573 HB THR 18 HB THR 18 1.555 8.978 -1.488 574 HG1 THR 18 1HG THR 18 1.048 10.392 -3.267 575 1HG2 THR 18 1HG2 THR 18 1.878 9.804 0.569 576 2HG2 THR 18 2HG2 THR 18 0.947 11.167 -0.053 577 3HG2 THR 18 3HG2 THR 18 2.708 11.243 -0.021 578 H GLU 19 H GLU 19 3.133 11.708 -4.062 579 HA GLU 19 HA GLU 19 4.765 13.714 -2.650 580 1HB GLU 19 2HB GLU 19 5.667 13.000 -4.815 581 2HB GLU 19 1HB GLU 19 4.157 13.437 -5.603 582 1HG GLU 19 2HG GLU 19 4.519 15.775 -5.003 583 2HG GLU 19 1HG GLU 19 6.033 15.336 -4.212 584 H ALA 20 H ALA 20 3.626 15.312 -1.714 585 HA ALA 20 HA ALA 20 1.385 16.473 -3.174 586 1HB ALA 20 1HB ALA 20 -0.237 16.047 -1.643 587 2HB ALA 20 2HB ALA 20 0.894 16.004 -0.291 588 3HB ALA 20 3HB ALA 20 0.761 14.618 -1.375 589 H VAL 21 H VAL 21 0.894 18.574 -2.624 590 HA VAL 21 HA VAL 21 2.944 20.295 -2.008 591 HB VAL 21 HB VAL 21 0.041 20.878 -1.430 592 1HG1 VAL 21 1HG1 VAL 21 0.613 23.020 -1.188 593 2HG1 VAL 21 2HG1 VAL 21 1.681 22.981 -2.593 594 3HG1 VAL 21 3HG1 VAL 21 2.270 22.439 -1.022 595 1HG2 VAL 21 1HG2 VAL 21 1.548 20.754 -4.018 596 2HG2 VAL 21 2HG2 VAL 21 0.139 21.798 -3.828 597 3HG2 VAL 21 3HG2 VAL 21 -0.018 20.054 -3.608 598 H ASP 22 H ASP 22 0.885 18.579 0.202 599 HA ASP 22 HA ASP 22 2.554 19.409 2.411 600 1HB ASP 22 2HB ASP 22 0.750 20.270 3.815 601 2HB ASP 22 1HB ASP 22 0.909 21.231 2.348 602 H ALA 23 H ALA 23 1.515 18.446 4.556 603 HA ALA 23 HA ALA 23 1.565 15.660 4.245 604 1HB ALA 23 1HB ALA 23 0.903 17.478 6.521 605 2HB ALA 23 2HB ALA 23 2.260 16.369 6.332 606 3HB ALA 23 3HB ALA 23 0.649 15.739 6.675 607 H ALA 24 H ALA 24 -1.139 17.885 4.737 608 HA ALA 24 HA ALA 24 -3.150 15.930 4.979 609 1HB ALA 24 1HB ALA 24 -4.689 17.662 4.808 610 2HB ALA 24 2HB ALA 24 -3.678 18.588 3.698 611 3HB ALA 24 3HB ALA 24 -3.251 18.491 5.406 612 H THR 25 H THR 25 -2.149 17.842 2.132 613 HA THR 25 HA THR 25 -3.758 16.655 0.232 614 HB THR 25 HB THR 25 -1.949 17.257 -1.384 615 HG1 THR 25 1HG THR 25 -0.533 17.584 1.000 616 1HG2 THR 25 1HG2 THR 25 -3.080 19.153 0.544 617 2HG2 THR 25 2HG2 THR 25 -3.114 19.164 -1.220 618 3HG2 THR 25 3HG2 THR 25 -1.679 19.724 -0.361 619 H ALA 26 H ALA 26 -0.590 15.655 1.449 620 HA ALA 26 HA ALA 26 -0.251 13.383 -0.158 621 1HB ALA 26 1HB ALA 26 0.951 12.674 2.193 622 2HB ALA 26 2HB ALA 26 0.916 14.432 2.320 623 3HB ALA 26 3HB ALA 26 1.695 13.663 0.936 624 H GLU 27 H GLU 27 -1.639 13.719 3.121 625 HA GLU 27 HA GLU 27 -2.369 11.122 3.597 626 1HB GLU 27 2HB GLU 27 -2.614 12.833 5.282 627 2HB GLU 27 1HB GLU 27 -3.828 13.660 4.321 628 1HG GLU 27 2HG GLU 27 -4.827 12.439 6.167 629 2HG GLU 27 1HG GLU 27 -5.357 11.804 4.610 630 H LYS 28 H LYS 28 -4.309 13.625 1.957 631 HA LYS 28 HA LYS 28 -6.482 11.922 1.364 632 1HB LYS 28 2HB LYS 28 -5.546 14.570 0.307 633 2HB LYS 28 1HB LYS 28 -6.895 13.734 -0.454 634 1HG LYS 28 2HG LYS 28 -7.464 15.461 1.310 635 2HG LYS 28 1HG LYS 28 -8.221 13.876 1.476 636 1HD LYS 28 2HD LYS 28 -6.551 13.239 3.137 637 2HD LYS 28 1HD LYS 28 -5.759 14.807 2.955 638 1HE LYS 28 2HE LYS 28 -7.174 14.776 4.937 639 2HE LYS 28 1HE LYS 28 -7.783 15.926 3.749 640 1HZ LYS 28 1HZ LYS 28 -9.409 14.264 3.048 641 2HZ LYS 28 2HZ LYS 28 -9.581 14.641 4.688 642 3HZ LYS 28 3HZ LYS 28 -8.839 13.192 4.228 643 H VAL 29 H VAL 29 -3.704 12.980 -0.614 644 HA VAL 29 HA VAL 29 -4.362 11.592 -2.933 645 HB VAL 29 HB VAL 29 -1.587 12.079 -1.826 646 1HG1 VAL 29 1HG1 VAL 29 -1.744 12.133 -4.680 647 2HG1 VAL 29 2HG1 VAL 29 -2.408 10.613 -4.084 648 3HG1 VAL 29 3HG1 VAL 29 -0.772 11.095 -3.637 649 1HG2 VAL 29 1HG2 VAL 29 -1.684 14.212 -2.523 650 2HG2 VAL 29 2HG2 VAL 29 -3.431 13.987 -2.433 651 3HG2 VAL 29 3HG2 VAL 29 -2.596 13.801 -3.975 652 H VAL 30 H VAL 30 -2.664 10.541 -0.035 653 HA VAL 30 HA VAL 30 -2.080 7.912 -0.958 654 HB VAL 30 HB VAL 30 -2.423 8.909 1.884 655 1HG1 VAL 30 1HG1 VAL 30 -1.298 6.956 2.611 656 2HG1 VAL 30 2HG1 VAL 30 -0.879 6.498 0.961 657 3HG1 VAL 30 3HG1 VAL 30 -2.555 6.411 1.501 658 1HG2 VAL 30 1HG2 VAL 30 0.257 8.399 0.764 659 2HG2 VAL 30 2HG2 VAL 30 -0.290 9.654 1.877 660 3HG2 VAL 30 3HG2 VAL 30 -0.588 9.818 0.147 661 H LYS 31 H LYS 31 -4.653 9.310 1.090 662 HA LYS 31 HA LYS 31 -6.173 7.110 1.644 663 1HB LYS 31 2HB LYS 31 -7.051 9.902 0.926 664 2HB LYS 31 1HB LYS 31 -8.183 8.666 1.450 665 1HG LYS 31 2HG LYS 31 -5.854 9.687 3.049 666 2HG LYS 31 1HG LYS 31 -7.540 10.155 3.261 667 1HD LYS 31 2HD LYS 31 -6.826 7.274 3.343 668 2HD LYS 31 1HD LYS 31 -6.449 8.285 4.744 669 1HE LYS 31 2HE LYS 31 -8.616 7.250 5.035 670 2HE LYS 31 1HE LYS 31 -8.812 8.988 4.825 671 1HZ LYS 31 1HZ LYS 31 -9.690 8.725 2.725 672 2HZ LYS 31 2HZ LYS 31 -10.343 7.394 3.539 673 3HZ LYS 31 3HZ LYS 31 -9.020 7.187 2.505 674 H GLN 32 H GLN 32 -6.331 9.120 -1.246 675 HA GLN 32 HA GLN 32 -8.359 7.663 -2.522 676 1HB GLN 32 2HB GLN 32 -7.390 9.973 -3.152 677 2HB GLN 32 1HB GLN 32 -6.189 9.061 -4.063 678 1HG GLN 32 2HG GLN 32 -7.941 9.683 -5.554 679 2HG GLN 32 1HG GLN 32 -8.051 7.944 -5.275 680 1HE2 GLN 32 1HE2 GLN 32 -9.648 7.195 -3.741 681 2HE2 GLN 32 2HE2 GLN 32 -11.100 8.098 -3.506 682 H PHE 33 H PHE 33 -4.900 7.212 -2.392 683 HA PHE 33 HA PHE 33 -4.469 5.408 -4.440 684 1HB PHE 33 2HB PHE 33 -2.778 6.434 -2.825 685 2HB PHE 33 1HB PHE 33 -3.230 5.172 -1.690 686 HD1 PHE 33 1HD PHE 33 -2.289 5.433 -5.285 687 HD2 PHE 33 2HD PHE 33 -1.812 3.367 -1.583 688 HE1 PHE 33 1HE PHE 33 -0.667 3.912 -6.337 689 HE2 PHE 33 2HE PHE 33 -0.185 1.855 -2.640 690 HZ PHE 33 HZ PHE 33 0.388 2.131 -5.021 691 H PHE 34 H PHE 34 -4.780 4.388 -1.080 692 HA PHE 34 HA PHE 34 -5.456 1.724 -1.655 693 1HB PHE 34 2HB PHE 34 -6.025 3.283 0.866 694 2HB PHE 34 1HB PHE 34 -5.962 1.524 0.716 695 HD1 PHE 34 1HD PHE 34 -3.700 0.838 -0.706 696 HD2 PHE 34 2HD PHE 34 -4.181 4.143 1.912 697 HE1 PHE 34 1HE PHE 34 -1.269 0.904 -0.357 698 HE2 PHE 34 2HE PHE 34 -1.751 4.216 2.282 699 HZ PHE 34 HZ PHE 34 -0.298 2.595 1.136 700 H ASN 35 H ASN 35 -7.454 4.558 -1.077 701 HA ASN 35 HA ASN 35 -9.960 3.421 -0.779 702 1HB ASN 35 2HB ASN 35 -9.514 5.834 -0.629 703 2HB ASN 35 1HB ASN 35 -9.191 5.889 -2.359 704 1HD2 ASN 35 1HD2 ASN 35 -11.312 6.840 -0.264 705 2HD2 ASN 35 2HD2 ASN 35 -12.791 6.646 -1.136 706 H ASP 36 H ASP 36 -8.056 3.988 -3.645 707 HA ASP 36 HA ASP 36 -10.089 2.818 -5.389 708 1HB ASP 36 2HB ASP 36 -7.462 4.170 -6.029 709 2HB ASP 36 1HB ASP 36 -8.565 3.518 -7.237 710 H ASN 37 H ASN 37 -7.062 1.937 -3.915 711 HA ASN 37 HA ASN 37 -6.537 -0.223 -5.765 712 1HB ASN 37 2HB ASN 37 -5.327 0.379 -3.057 713 2HB ASN 37 1HB ASN 37 -4.763 -0.871 -4.158 714 1HD2 ASN 37 1HD2 ASN 37 -3.679 1.760 -3.011 715 2HD2 ASN 37 2HD2 ASN 37 -3.010 2.536 -4.401 716 H GLY 38 H GLY 38 -7.769 0.161 -2.516 717 1HA GLY 38 2HA GLY 38 -8.164 -1.866 -1.128 718 2HA GLY 38 1HA GLY 38 -9.634 -1.147 -1.743 719 H VAL 39 H VAL 39 -11.021 -2.470 -2.614 720 HA VAL 39 HA VAL 39 -10.330 -5.217 -2.988 721 HB VAL 39 HB VAL 39 -12.956 -3.802 -3.339 722 1HG1 VAL 39 1HG1 VAL 39 -12.377 -6.762 -3.202 723 2HG1 VAL 39 2HG1 VAL 39 -12.904 -5.880 -4.635 724 3HG1 VAL 39 3HG1 VAL 39 -13.978 -6.023 -3.243 725 1HG2 VAL 39 1HG2 VAL 39 -11.465 -4.606 -1.037 726 2HG2 VAL 39 2HG2 VAL 39 -12.958 -5.540 -1.128 727 3HG2 VAL 39 3HG2 VAL 39 -13.019 -3.778 -1.125 728 H ASP 40 H ASP 40 -11.832 -2.870 -5.290 729 HA ASP 40 HA ASP 40 -11.387 -4.797 -7.399 730 1HB ASP 40 2HB ASP 40 -12.678 -2.068 -7.450 731 2HB ASP 40 1HB ASP 40 -12.627 -3.188 -8.807 732 H GLY 41 H GLY 41 -9.057 -3.354 -6.153 733 1HA GLY 41 2HA GLY 41 -8.075 -1.451 -8.000 734 2HA GLY 41 1HA GLY 41 -7.103 -2.364 -6.858 735 H GLU 42 H GLU 42 -6.694 -1.613 -9.734 736 HA GLU 42 HA GLU 42 -6.754 -4.118 -11.173 737 1HB GLU 42 2HB GLU 42 -5.457 -1.480 -11.884 738 2HB GLU 42 1HB GLU 42 -5.624 -2.854 -12.967 739 1HG GLU 42 2HG GLU 42 -7.885 -1.278 -11.758 740 2HG GLU 42 1HG GLU 42 -7.296 -1.144 -13.414 741 H TRP 43 H TRP 43 -5.451 -5.561 -10.075 742 HA TRP 43 HA TRP 43 -2.634 -4.803 -9.692 743 1HB TRP 43 2HB TRP 43 -4.055 -7.218 -8.571 744 2HB TRP 43 1HB TRP 43 -2.466 -6.622 -8.127 745 HD1 TRP 43 HD TRP 43 -4.909 -3.794 -8.295 746 HE1 TRP 43 1HE TRP 43 -5.664 -3.160 -5.914 747 HE3 TRP 43 3HE TRP 43 -3.023 -7.798 -5.750 748 HZ2 TRP 43 2HZ TRP 43 -5.485 -4.217 -3.320 749 HZ3 TRP 43 3HZ TRP 43 -3.352 -7.908 -3.318 750 HH2 TRP 43 HH TRP 43 -4.558 -6.152 -2.126 751 H THR 44 H THR 44 -1.031 -5.793 -10.773 752 HA THR 44 HA THR 44 -1.735 -8.084 -12.488 753 HB THR 44 HB THR 44 0.200 -7.369 -13.908 754 HG1 THR 44 1HG THR 44 0.093 -4.934 -12.481 755 1HG2 THR 44 1HG2 THR 44 -2.137 -6.670 -14.432 756 2HG2 THR 44 2HG2 THR 44 -0.878 -5.603 -15.055 757 3HG2 THR 44 3HG2 THR 44 -1.793 -5.143 -13.618 758 H TYR 45 H TYR 45 -0.347 -9.881 -12.480 759 HA TYR 45 HA TYR 45 1.601 -9.880 -10.268 760 1HB TYR 45 2HB TYR 45 -0.365 -11.356 -9.966 761 2HB TYR 45 1HB TYR 45 0.082 -12.223 -11.430 762 HD1 TYR 45 1HD TYR 45 2.425 -11.006 -8.827 763 HD2 TYR 45 2HD TYR 45 0.457 -14.373 -10.528 764 HE1 TYR 45 1HE TYR 45 3.846 -12.504 -7.494 765 HE2 TYR 45 2HE TYR 45 1.875 -15.879 -9.200 766 HH TYR 45 HH TYR 45 4.433 -15.487 -8.077 767 H ASP 46 H ASP 46 3.618 -10.738 -10.532 768 HA ASP 46 HA ASP 46 4.376 -11.551 -13.260 769 1HB ASP 46 2HB ASP 46 5.224 -9.299 -12.774 770 2HB ASP 46 1HB ASP 46 6.002 -9.898 -11.313 771 H ASP 47 H ASP 47 4.123 -13.743 -12.656 772 HA ASP 47 HA ASP 47 5.065 -15.081 -10.473 773 1HB ASP 47 2HB ASP 47 5.176 -16.076 -13.327 774 2HB ASP 47 1HB ASP 47 5.205 -17.083 -11.884 775 H ALA 48 H ALA 48 6.939 -14.065 -13.285 776 HA ALA 48 HA ALA 48 9.272 -15.457 -12.941 777 1HB ALA 48 1HB ALA 48 8.584 -13.693 -14.713 778 2HB ALA 48 2HB ALA 48 10.290 -13.922 -14.331 779 3HB ALA 48 3HB ALA 48 9.409 -12.558 -13.644 780 H THR 49 H THR 49 8.138 -12.726 -11.054 781 HA THR 49 HA THR 49 10.499 -13.052 -9.324 782 HB THR 49 HB THR 49 10.424 -10.625 -8.856 783 HG1 THR 49 1HG THR 49 8.215 -10.323 -9.460 784 1HG2 THR 49 1HG2 THR 49 11.261 -9.798 -11.000 785 2HG2 THR 49 2HG2 THR 49 10.698 -11.276 -11.778 786 3HG2 THR 49 3HG2 THR 49 11.971 -11.351 -10.560 787 H LYS 50 H LYS 50 7.441 -13.806 -9.363 788 HA LYS 50 HA LYS 50 5.718 -13.961 -7.856 789 1HB LYS 50 2HB LYS 50 8.068 -13.945 -5.958 790 2HB LYS 50 1HB LYS 50 6.430 -14.413 -5.522 791 1HG LYS 50 2HG LYS 50 6.936 -15.979 -7.714 792 2HG LYS 50 1HG LYS 50 8.501 -15.919 -6.899 793 1HD LYS 50 2HD LYS 50 7.451 -16.635 -4.813 794 2HD LYS 50 1HD LYS 50 5.879 -16.665 -5.618 795 1HE LYS 50 2HE LYS 50 6.705 -18.396 -7.146 796 2HE LYS 50 1HE LYS 50 8.265 -18.369 -6.325 797 1HZ LYS 50 1HZ LYS 50 6.569 -18.776 -4.285 798 2HZ LYS 50 2HZ LYS 50 7.377 -20.009 -5.113 799 3HZ LYS 50 3HZ LYS 50 5.785 -19.615 -5.528 800 H THR 51 H THR 51 6.360 -11.298 -8.685 801 HA THR 51 HA THR 51 5.683 -9.775 -6.256 802 HB THR 51 HB THR 51 7.101 -8.824 -8.753 803 HG1 THR 51 1HG THR 51 8.867 -8.611 -7.307 804 1HG2 THR 51 1HG2 THR 51 5.632 -7.243 -7.094 805 2HG2 THR 51 2HG2 THR 51 7.014 -6.712 -8.053 806 3HG2 THR 51 3HG2 THR 51 7.235 -7.160 -6.362 807 H PHE 52 H PHE 52 3.988 -8.372 -6.288 808 HA PHE 52 HA PHE 52 2.270 -8.437 -8.685 809 1HB PHE 52 2HB PHE 52 1.422 -7.911 -5.828 810 2HB PHE 52 1HB PHE 52 0.368 -8.135 -7.217 811 HD1 PHE 52 1HD PHE 52 -0.667 -10.167 -7.406 812 HD2 PHE 52 2HD PHE 52 3.117 -9.965 -5.468 813 HE1 PHE 52 1HE PHE 52 -0.798 -12.573 -6.904 814 HE2 PHE 52 2HE PHE 52 2.993 -12.369 -4.969 815 HZ PHE 52 HZ PHE 52 1.034 -13.677 -5.686 816 H THR 53 H THR 53 1.385 -6.482 -9.427 817 HA THR 53 HA THR 53 2.414 -4.066 -8.108 818 HB THR 53 HB THR 53 2.288 -3.086 -10.517 819 HG1 THR 53 1HG THR 53 1.464 -5.379 -11.136 820 1HG2 THR 53 1HG2 THR 53 4.591 -4.168 -11.032 821 2HG2 THR 53 2HG2 THR 53 4.435 -4.817 -9.399 822 3HG2 THR 53 3HG2 THR 53 4.410 -3.072 -9.663 823 H VAL 54 H VAL 54 0.991 -2.583 -7.556 824 HA VAL 54 HA VAL 54 -1.765 -2.845 -8.562 825 HB VAL 54 HB VAL 54 -0.808 -1.549 -5.992 826 1HG1 VAL 54 1HG1 VAL 54 -3.634 -2.202 -6.199 827 2HG1 VAL 54 2HG1 VAL 54 -3.127 -1.025 -7.409 828 3HG1 VAL 54 3HG1 VAL 54 -2.853 -0.702 -5.698 829 1HG2 VAL 54 1HG2 VAL 54 -1.708 -4.275 -6.677 830 2HG2 VAL 54 2HG2 VAL 54 -2.385 -3.576 -5.206 831 3HG2 VAL 54 3HG2 VAL 54 -0.637 -3.719 -5.391 832 H THR 55 H THR 55 -2.204 -1.422 -10.116 833 HA THR 55 HA THR 55 -0.869 1.186 -10.062 834 HB THR 55 HB THR 55 -2.328 -0.143 -12.343 835 HG1 THR 55 1HG THR 55 -0.366 -1.192 -11.741 836 1HG2 THR 55 1HG2 THR 55 -1.003 1.501 -13.707 837 2HG2 THR 55 2HG2 THR 55 -0.677 2.358 -12.200 838 3HG2 THR 55 3HG2 THR 55 -2.337 2.175 -12.770 839 H GLU 56 H GLU 56 -1.959 2.871 -9.324 840 HA GLU 56 HA GLU 56 -4.630 2.873 -8.580 841 1HB GLU 56 2HB GLU 56 -2.777 4.514 -7.950 842 2HB GLU 56 1HB GLU 56 -3.134 5.340 -9.459 843 1HG GLU 56 2HG GLU 56 -5.090 4.896 -7.213 844 2HG GLU 56 1HG GLU 56 -4.205 6.388 -7.517 Start of MODEL 28 1 1H MET 1 1HT MET 1 5.565 -18.702 2.794 2 2H MET 1 2HT MET 1 5.229 -19.560 1.374 3 3H MET 1 3HT MET 1 4.500 -18.059 1.646 4 HA MET 1 HA MET 1 7.428 -18.268 1.557 5 1HB MET 1 2HB MET 1 6.609 -19.410 -0.451 6 2HB MET 1 1HB MET 1 5.568 -18.044 -0.823 7 1HG MET 1 2HG MET 1 7.523 -16.628 -1.142 8 2HG MET 1 1HG MET 1 8.576 -17.984 -0.745 9 1HE MET 1 1HE MET 1 9.428 -16.665 -2.748 10 2HE MET 1 2HE MET 1 8.661 -16.605 -4.335 11 3HE MET 1 3HE MET 1 9.756 -17.929 -3.934 12 H GLN 2 H GLN 2 8.310 -16.223 0.662 13 HA GLN 2 HA GLN 2 6.779 -13.952 1.682 14 1HB GLN 2 2HB GLN 2 9.045 -14.253 2.554 15 2HB GLN 2 1HB GLN 2 9.697 -14.225 0.924 16 1HG GLN 2 2HG GLN 2 8.217 -11.904 2.122 17 2HG GLN 2 1HG GLN 2 9.957 -12.122 2.285 18 1HE2 GLN 2 1HE2 GLN 2 7.724 -10.507 0.615 19 2HE2 GLN 2 2HE2 GLN 2 8.549 -10.277 -0.882 20 H TYR 3 H TYR 3 5.897 -12.466 0.361 21 HA TYR 3 HA TYR 3 6.755 -12.446 -2.457 22 1HB TYR 3 2HB TYR 3 3.933 -12.176 -1.401 23 2HB TYR 3 1HB TYR 3 4.405 -11.972 -3.085 24 HD1 TYR 3 1HD TYR 3 4.668 -13.839 -4.509 25 HD2 TYR 3 2HD TYR 3 4.208 -14.430 -0.321 26 HE1 TYR 3 1HE TYR 3 4.383 -16.252 -4.888 27 HE2 TYR 3 2HE TYR 3 3.921 -16.845 -0.688 28 HH TYR 3 HH TYR 3 3.526 -18.191 -3.854 29 H LYS 4 H LYS 4 6.921 -10.473 -3.457 30 HA LYS 4 HA LYS 4 6.710 -8.156 -1.658 31 1HB LYS 4 2HB LYS 4 8.952 -8.574 -2.520 32 2HB LYS 4 1HB LYS 4 8.353 -8.520 -4.171 33 1HG LYS 4 2HG LYS 4 7.707 -6.168 -3.831 34 2HG LYS 4 1HG LYS 4 8.396 -6.237 -2.210 35 1HD LYS 4 2HD LYS 4 9.952 -6.776 -4.737 36 2HD LYS 4 1HD LYS 4 9.893 -5.212 -3.925 37 1HE LYS 4 2HE LYS 4 11.889 -6.273 -3.216 38 2HE LYS 4 1HE LYS 4 10.761 -6.365 -1.866 39 1HZ LYS 4 1HZ LYS 4 10.796 -8.575 -1.923 40 2HZ LYS 4 2HZ LYS 4 12.141 -8.447 -2.941 41 3HZ LYS 4 3HZ LYS 4 10.597 -8.639 -3.602 42 H VAL 5 H VAL 5 4.932 -7.004 -1.926 43 HA VAL 5 HA VAL 5 3.648 -6.916 -4.549 44 HB VAL 5 HB VAL 5 2.648 -5.912 -1.879 45 1HG1 VAL 5 1HG1 VAL 5 1.317 -6.063 -4.578 46 2HG1 VAL 5 2HG1 VAL 5 1.632 -4.619 -3.617 47 3HG1 VAL 5 3HG1 VAL 5 0.449 -5.804 -3.066 48 1HG2 VAL 5 1HG2 VAL 5 0.982 -7.913 -2.556 49 2HG2 VAL 5 2HG2 VAL 5 2.412 -8.130 -1.546 50 3HG2 VAL 5 3HG2 VAL 5 2.484 -8.506 -3.268 51 H ILE 6 H ILE 6 3.597 -5.162 -5.794 52 HA ILE 6 HA ILE 6 4.974 -2.753 -4.831 53 HB ILE 6 HB ILE 6 4.596 -3.844 -7.618 54 1HG1 ILE 6 2HG1 ILE 6 7.072 -3.373 -5.946 55 2HG1 ILE 6 1HG1 ILE 6 6.335 -4.939 -6.275 56 1HG2 ILE 6 1HG2 ILE 6 4.647 -1.716 -8.288 57 2HG2 ILE 6 2HG2 ILE 6 6.362 -1.783 -7.876 58 3HG2 ILE 6 3HG2 ILE 6 5.203 -1.132 -6.718 59 1HD1 ILE 6 1HD1 ILE 6 6.706 -4.246 -8.768 60 2HD1 ILE 6 2HD1 ILE 6 8.029 -4.908 -7.807 61 3HD1 ILE 6 3HD1 ILE 6 7.913 -3.167 -8.066 62 H LEU 7 H LEU 7 3.814 -0.961 -4.534 63 HA LEU 7 HA LEU 7 1.126 -0.831 -5.711 64 1HB LEU 7 2HB LEU 7 2.146 0.890 -3.461 65 2HB LEU 7 1HB LEU 7 0.485 0.546 -3.902 66 HG LEU 7 HG LEU 7 2.418 -1.403 -2.665 67 1HD1 LEU 7 1HD1 LEU 7 1.261 -1.147 -0.672 68 2HD1 LEU 7 2HD1 LEU 7 -0.131 -0.401 -1.458 69 3HD1 LEU 7 3HD1 LEU 7 1.373 0.503 -1.281 70 1HD2 LEU 7 1HD2 LEU 7 -0.510 -1.860 -3.120 71 2HD2 LEU 7 2HD2 LEU 7 0.759 -3.035 -2.768 72 3HD2 LEU 7 3HD2 LEU 7 0.681 -2.271 -4.354 73 H ASN 8 H ASN 8 1.854 -0.102 -7.724 74 HA ASN 8 HA ASN 8 3.229 2.471 -7.858 75 1HB ASN 8 2HB ASN 8 2.491 0.457 -9.977 76 2HB ASN 8 1HB ASN 8 3.188 2.026 -10.355 77 1HD2 ASN 8 1HD2 ASN 8 4.549 1.266 -7.500 78 2HD2 ASN 8 2HD2 ASN 8 5.963 0.450 -8.052 79 H GLY 9 H GLY 9 1.992 4.223 -7.657 80 1HA GLY 9 2HA GLY 9 -0.577 4.259 -9.123 81 2HA GLY 9 1HA GLY 9 -0.303 5.132 -7.624 82 H LYS 10 H LYS 10 -1.145 6.912 -9.020 83 HA LYS 10 HA LYS 10 0.676 7.952 -11.003 84 1HB LYS 10 2HB LYS 10 -1.760 9.271 -9.789 85 2HB LYS 10 1HB LYS 10 -0.936 9.754 -11.263 86 1HG LYS 10 2HG LYS 10 -2.108 7.017 -11.039 87 2HG LYS 10 1HG LYS 10 -3.143 8.401 -11.390 88 1HD LYS 10 2HD LYS 10 -2.448 7.320 -13.450 89 2HD LYS 10 1HD LYS 10 -1.746 8.933 -13.340 90 1HE LYS 10 2HE LYS 10 0.381 8.037 -12.725 91 2HE LYS 10 1HE LYS 10 -0.289 6.413 -12.560 92 1HZ LYS 10 1HZ LYS 10 0.979 6.957 -14.676 93 2HZ LYS 10 2HZ LYS 10 -0.368 7.874 -15.130 94 3HZ LYS 10 3HZ LYS 10 -0.530 6.212 -14.857 95 H THR 11 H THR 11 -0.598 9.093 -7.888 96 HA THR 11 HA THR 11 1.668 10.922 -7.639 97 HB THR 11 HB THR 11 0.230 11.790 -5.699 98 HG1 THR 11 1HG THR 11 -1.807 10.383 -7.054 99 1HG2 THR 11 1HG2 THR 11 -1.559 12.703 -7.413 100 2HG2 THR 11 2HG2 THR 11 -0.395 12.069 -8.578 101 3HG2 THR 11 3HG2 THR 11 0.107 13.283 -7.401 102 H LEU 12 H LEU 12 0.906 7.843 -6.761 103 HA LEU 12 HA LEU 12 2.659 8.014 -4.427 104 1HB LEU 12 2HB LEU 12 0.391 7.922 -3.566 105 2HB LEU 12 1HB LEU 12 0.056 6.496 -4.532 106 HG LEU 12 HG LEU 12 1.563 5.176 -3.219 107 1HD1 LEU 12 1HD1 LEU 12 3.361 6.187 -2.397 108 2HD1 LEU 12 2HD1 LEU 12 2.330 6.757 -1.081 109 3HD1 LEU 12 3HD1 LEU 12 2.603 7.770 -2.496 110 1HD2 LEU 12 1HD2 LEU 12 0.072 4.873 -1.592 111 2HD2 LEU 12 2HD2 LEU 12 -0.792 6.250 -2.276 112 3HD2 LEU 12 3HD2 LEU 12 0.333 6.491 -0.941 113 H LYS 13 H LYS 13 4.119 6.443 -4.238 114 HA LYS 13 HA LYS 13 3.871 3.992 -5.800 115 1HB LYS 13 2HB LYS 13 6.251 5.846 -6.049 116 2HB LYS 13 1HB LYS 13 6.124 4.244 -6.764 117 1HG LYS 13 2HG LYS 13 4.260 4.996 -8.144 118 2HG LYS 13 1HG LYS 13 4.365 6.601 -7.415 119 1HD LYS 13 2HD LYS 13 6.638 6.846 -8.297 120 2HD LYS 13 1HD LYS 13 6.525 5.243 -9.027 121 1HE LYS 13 2HE LYS 13 4.654 6.004 -10.407 122 2HE LYS 13 1HE LYS 13 4.762 7.603 -9.674 123 1HZ LYS 13 1HZ LYS 13 6.443 6.377 -11.699 124 2HZ LYS 13 2HZ LYS 13 7.256 7.289 -10.532 125 3HZ LYS 13 3HZ LYS 13 6.039 8.003 -11.464 126 H GLY 14 H GLY 14 5.056 2.250 -4.927 127 1HA GLY 14 2HA GLY 14 7.049 2.577 -2.937 128 2HA GLY 14 1HA GLY 14 5.492 2.296 -2.177 129 H GLU 15 H GLU 15 7.043 0.489 -1.430 130 HA GLU 15 HA GLU 15 6.403 -1.874 -3.040 131 1HB GLU 15 2HB GLU 15 9.103 -1.313 -1.792 132 2HB GLU 15 1HB GLU 15 8.626 -2.846 -2.505 133 1HG GLU 15 2HG GLU 15 9.958 -1.700 -4.092 134 2HG GLU 15 1HG GLU 15 8.293 -1.650 -4.669 135 H THR 16 H THR 16 5.666 -3.556 -1.879 136 HA THR 16 HA THR 16 6.017 -3.518 1.026 137 HB THR 16 HB THR 16 3.890 -2.618 0.970 138 HG1 THR 16 1HG THR 16 3.307 -5.357 0.780 139 1HG2 THR 16 1HG2 THR 16 3.342 -4.294 -1.450 140 2HG2 THR 16 2HG2 THR 16 3.361 -2.538 -1.319 141 3HG2 THR 16 3HG2 THR 16 2.076 -3.466 -0.548 142 H THR 17 H THR 17 5.297 -5.651 2.034 143 HA THR 17 HA THR 17 5.584 -7.909 0.197 144 HB THR 17 HB THR 17 7.324 -8.922 1.654 145 HG1 THR 17 1HG THR 17 8.363 -7.596 3.143 146 1HG2 THR 17 1HG2 THR 17 8.167 -7.903 -0.302 147 2HG2 THR 17 2HG2 THR 17 9.193 -7.376 1.031 148 3HG2 THR 17 3HG2 THR 17 7.973 -6.286 0.375 149 H THR 18 H THR 18 4.141 -9.406 0.622 150 HA THR 18 HA THR 18 3.054 -9.669 3.362 151 HB THR 18 HB THR 18 1.404 -9.004 1.615 152 HG1 THR 18 1HG THR 18 0.802 -10.325 3.415 153 1HG2 THR 18 1HG2 THR 18 2.028 -9.962 -0.396 154 2HG2 THR 18 2HG2 THR 18 0.655 -10.947 0.110 155 3HG2 THR 18 3HG2 THR 18 2.298 -11.549 0.327 156 H GLU 19 H GLU 19 2.889 -11.756 4.245 157 HA GLU 19 HA GLU 19 4.487 -13.802 2.850 158 1HB GLU 19 2HB GLU 19 5.406 -13.089 5.008 159 2HB GLU 19 1HB GLU 19 3.888 -13.494 5.800 160 1HG GLU 19 2HG GLU 19 4.207 -15.843 5.213 161 2HG GLU 19 1HG GLU 19 5.726 -15.435 4.417 162 H ALA 20 H ALA 20 3.331 -15.396 1.942 163 HA ALA 20 HA ALA 20 1.070 -16.507 3.406 164 1HB ALA 20 1HB ALA 20 0.430 -14.637 1.663 165 2HB ALA 20 2HB ALA 20 -0.552 -16.090 1.858 166 3HB ALA 20 3HB ALA 20 0.596 -15.971 0.523 167 H VAL 21 H VAL 21 0.469 -18.575 2.771 168 HA VAL 21 HA VAL 21 2.461 -20.374 2.208 169 HB VAL 21 HB VAL 21 -0.438 -20.807 1.491 170 1HG1 VAL 21 1HG1 VAL 21 1.620 -22.800 2.424 171 2HG1 VAL 21 2HG1 VAL 21 1.218 -22.516 0.730 172 3HG1 VAL 21 3HG1 VAL 21 -0.012 -23.129 1.837 173 1HG2 VAL 21 1HG2 VAL 21 -0.451 -21.806 3.873 174 2HG2 VAL 21 2HG2 VAL 21 -0.568 -20.055 3.682 175 3HG2 VAL 21 3HG2 VAL 21 0.970 -20.793 4.133 176 H ASP 22 H ASP 22 0.625 -18.502 -0.065 177 HA ASP 22 HA ASP 22 2.358 -19.375 -2.199 178 1HB ASP 22 2HB ASP 22 0.627 -20.164 -3.712 179 2HB ASP 22 1HB ASP 22 0.622 -21.128 -2.238 180 H ALA 23 H ALA 23 1.593 -18.294 -4.354 181 HA ALA 23 HA ALA 23 1.681 -15.530 -3.946 182 1HB ALA 23 1HB ALA 23 1.410 -17.318 -6.265 183 2HB ALA 23 2HB ALA 23 2.475 -15.935 -6.013 184 3HB ALA 23 3HB ALA 23 0.797 -15.680 -6.494 185 H ALA 24 H ALA 24 -1.053 -17.642 -4.700 186 HA ALA 24 HA ALA 24 -2.951 -15.575 -5.039 187 1HB ALA 24 1HB ALA 24 -4.627 -17.270 -4.876 188 2HB ALA 24 2HB ALA 24 -3.528 -18.360 -4.029 189 3HB ALA 24 3HB ALA 24 -3.253 -17.973 -5.728 190 H THR 25 H THR 25 -2.256 -17.656 -2.209 191 HA THR 25 HA THR 25 -3.977 -16.505 -0.398 192 HB THR 25 HB THR 25 -2.330 -17.227 1.328 193 HG1 THR 25 1HG THR 25 -0.722 -17.482 -0.939 194 1HG2 THR 25 1HG2 THR 25 -2.081 -19.646 0.489 195 2HG2 THR 25 2HG2 THR 25 -3.067 -19.101 -0.866 196 3HG2 THR 25 3HG2 THR 25 -3.696 -19.000 0.778 197 H ALA 26 H ALA 26 -0.695 -15.541 -1.305 198 HA ALA 26 HA ALA 26 -0.462 -13.343 0.427 199 1HB ALA 26 1HB ALA 26 0.813 -13.939 -2.235 200 2HB ALA 26 2HB ALA 26 1.507 -14.149 -0.629 201 3HB ALA 26 3HB ALA 26 1.228 -12.528 -1.263 202 H GLU 27 H GLU 27 -1.530 -13.536 -2.981 203 HA GLU 27 HA GLU 27 -2.085 -10.854 -3.369 204 1HB GLU 27 2HB GLU 27 -2.077 -12.712 -5.092 205 2HB GLU 27 1HB GLU 27 -3.702 -13.104 -4.548 206 1HG GLU 27 2HG GLU 27 -2.902 -10.396 -5.576 207 2HG GLU 27 1HG GLU 27 -3.571 -11.672 -6.592 208 H LYS 28 H LYS 28 -4.183 -13.421 -2.090 209 HA LYS 28 HA LYS 28 -6.453 -11.746 -1.753 210 1HB LYS 28 2HB LYS 28 -5.670 -14.449 -0.718 211 2HB LYS 28 1HB LYS 28 -7.097 -13.642 -0.082 212 1HG LYS 28 2HG LYS 28 -7.369 -15.294 -2.037 213 2HG LYS 28 1HG LYS 28 -8.222 -13.750 -2.105 214 1HD LYS 28 2HD LYS 28 -6.471 -12.834 -3.531 215 2HD LYS 28 1HD LYS 28 -5.590 -14.362 -3.448 216 1HE LYS 28 2HE LYS 28 -8.343 -13.968 -4.617 217 2HE LYS 28 1HE LYS 28 -6.853 -14.176 -5.534 218 1HZ LYS 28 1HZ LYS 28 -8.498 -16.149 -4.230 219 2HZ LYS 28 2HZ LYS 28 -6.847 -16.330 -3.913 220 3HZ LYS 28 3HZ LYS 28 -7.405 -16.327 -5.509 221 H VAL 29 H VAL 29 -3.929 -12.878 0.492 222 HA VAL 29 HA VAL 29 -4.874 -11.621 2.789 223 HB VAL 29 HB VAL 29 -1.999 -12.075 1.957 224 1HG1 VAL 29 1HG1 VAL 29 -2.215 -10.410 3.753 225 2HG1 VAL 29 2HG1 VAL 29 -1.443 -11.895 4.310 226 3HG1 VAL 29 3HG1 VAL 29 -3.133 -11.576 4.705 227 1HG2 VAL 29 1HG2 VAL 29 -3.898 -13.973 2.371 228 2HG2 VAL 29 2HG2 VAL 29 -3.228 -13.795 3.994 229 3HG2 VAL 29 3HG2 VAL 29 -2.171 -14.209 2.644 230 H VAL 30 H VAL 30 -2.866 -10.422 0.159 231 HA VAL 30 HA VAL 30 -2.360 -7.853 1.236 232 HB VAL 30 HB VAL 30 -2.521 -8.700 -1.668 233 1HG1 VAL 30 1HG1 VAL 30 -2.470 -6.135 -0.718 234 2HG1 VAL 30 2HG1 VAL 30 -1.880 -6.645 -2.299 235 3HG1 VAL 30 3HG1 VAL 30 -0.757 -6.480 -0.949 236 1HG2 VAL 30 1HG2 VAL 30 -0.739 -9.546 0.256 237 2HG2 VAL 30 2HG2 VAL 30 0.116 -8.222 -0.536 238 3HG2 VAL 30 3HG2 VAL 30 -0.478 -9.583 -1.488 239 H LYS 31 H LYS 31 -4.904 -9.129 -0.935 240 HA LYS 31 HA LYS 31 -6.275 -6.826 -1.500 241 1HB LYS 31 2HB LYS 31 -7.235 -9.625 -1.049 242 2HB LYS 31 1HB LYS 31 -8.385 -8.333 -1.361 243 1HG LYS 31 2HG LYS 31 -7.044 -7.817 -3.437 244 2HG LYS 31 1HG LYS 31 -6.198 -9.338 -3.148 245 1HD LYS 31 2HD LYS 31 -8.205 -10.594 -3.385 246 2HD LYS 31 1HD LYS 31 -9.194 -9.133 -3.364 247 1HE LYS 31 2HE LYS 31 -8.171 -8.424 -5.481 248 2HE LYS 31 1HE LYS 31 -7.212 -9.902 -5.504 249 1HZ LYS 31 1HZ LYS 31 -9.861 -10.665 -5.169 250 2HZ LYS 31 2HZ LYS 31 -8.885 -10.890 -6.532 251 3HZ LYS 31 3HZ LYS 31 -9.851 -9.507 -6.403 252 H GLN 32 H GLN 32 -6.594 -8.875 1.350 253 HA GLN 32 HA GLN 32 -8.608 -7.414 2.657 254 1HB GLN 32 2HB GLN 32 -7.894 -9.678 3.356 255 2HB GLN 32 1HB GLN 32 -6.359 -9.017 3.900 256 1HG GLN 32 2HG GLN 32 -7.781 -9.362 5.791 257 2HG GLN 32 1HG GLN 32 -7.560 -7.635 5.540 258 1HE2 GLN 32 1HE2 GLN 32 -9.650 -8.920 3.219 259 2HE2 GLN 32 2HE2 GLN 32 -11.141 -8.493 3.972 260 H PHE 33 H PHE 33 -5.136 -7.033 2.534 261 HA PHE 33 HA PHE 33 -4.667 -5.207 4.553 262 1HB PHE 33 2HB PHE 33 -2.996 -6.326 2.986 263 2HB PHE 33 1HB PHE 33 -3.402 -5.089 1.805 264 HD1 PHE 33 1HD PHE 33 -2.273 -5.427 5.333 265 HD2 PHE 33 2HD PHE 33 -2.116 -3.184 1.709 266 HE1 PHE 33 1HE PHE 33 -0.582 -3.937 6.320 267 HE2 PHE 33 2HE PHE 33 -0.424 -1.701 2.702 268 HZ PHE 33 HZ PHE 33 0.341 -2.083 5.014 269 H PHE 34 H PHE 34 -4.992 -4.293 1.159 270 HA PHE 34 HA PHE 34 -5.571 -1.576 1.674 271 1HB PHE 34 2HB PHE 34 -6.140 -3.178 -0.820 272 2HB PHE 34 1HB PHE 34 -6.073 -1.416 -0.708 273 HD1 PHE 34 1HD PHE 34 -3.820 -0.714 0.733 274 HD2 PHE 34 2HD PHE 34 -4.286 -4.057 -1.843 275 HE1 PHE 34 1HE PHE 34 -1.386 -0.802 0.418 276 HE2 PHE 34 2HE PHE 34 -1.854 -4.148 -2.179 277 HZ PHE 34 HZ PHE 34 -0.405 -2.518 -1.033 278 H ASN 35 H ASN 35 -7.639 -4.367 1.129 279 HA ASN 35 HA ASN 35 -10.105 -3.163 0.784 280 1HB ASN 35 2HB ASN 35 -9.750 -5.587 0.676 281 2HB ASN 35 1HB ASN 35 -9.428 -5.630 2.406 282 1HD2 ASN 35 1HD2 ASN 35 -11.615 -6.449 0.270 283 2HD2 ASN 35 2HD2 ASN 35 -13.075 -6.218 1.164 284 H ASP 36 H ASP 36 -8.267 -3.733 3.694 285 HA ASP 36 HA ASP 36 -10.305 -2.472 5.367 286 1HB ASP 36 2HB ASP 36 -7.722 -3.840 6.137 287 2HB ASP 36 1HB ASP 36 -8.906 -3.198 7.271 288 H ASN 37 H ASN 37 -7.235 -1.705 3.933 289 HA ASN 37 HA ASN 37 -6.677 0.476 5.748 290 1HB ASN 37 2HB ASN 37 -5.457 -0.206 3.059 291 2HB ASN 37 1HB ASN 37 -4.878 1.061 4.133 292 1HD2 ASN 37 1HD2 ASN 37 -3.836 -1.626 3.059 293 2HD2 ASN 37 2HD2 ASN 37 -3.190 -2.380 4.474 294 H GLY 38 H GLY 38 -7.837 0.053 2.475 295 1HA GLY 38 2HA GLY 38 -8.242 2.013 1.030 296 2HA GLY 38 1HA GLY 38 -9.719 1.349 1.686 297 H VAL 39 H VAL 39 -11.080 2.765 2.421 298 HA VAL 39 HA VAL 39 -10.311 5.498 2.715 299 HB VAL 39 HB VAL 39 -13.006 4.234 3.124 300 1HG1 VAL 39 1HG1 VAL 39 -12.037 7.039 3.157 301 2HG1 VAL 39 2HG1 VAL 39 -13.342 6.280 4.070 302 3HG1 VAL 39 3HG1 VAL 39 -13.586 6.716 2.377 303 1HG2 VAL 39 1HG2 VAL 39 -13.121 5.559 0.756 304 2HG2 VAL 39 2HG2 VAL 39 -12.806 3.832 0.924 305 3HG2 VAL 39 3HG2 VAL 39 -11.463 4.960 0.736 306 H ASP 40 H ASP 40 -11.963 3.299 5.047 307 HA ASP 40 HA ASP 40 -11.510 5.282 7.106 308 1HB ASP 40 2HB ASP 40 -12.961 2.635 7.182 309 2HB ASP 40 1HB ASP 40 -12.890 3.787 8.513 310 H GLY 41 H GLY 41 -9.190 3.720 6.033 311 1HA GLY 41 2HA GLY 41 -8.403 1.820 7.989 312 2HA GLY 41 1HA GLY 41 -7.331 2.639 6.861 313 H GLU 42 H GLU 42 -6.900 2.001 9.692 314 HA GLU 42 HA GLU 42 -7.024 4.521 11.107 315 1HB GLU 42 2HB GLU 42 -5.819 1.839 11.789 316 2HB GLU 42 1HB GLU 42 -5.669 3.240 12.837 317 1HG GLU 42 2HG GLU 42 -7.454 1.814 13.600 318 2HG GLU 42 1HG GLU 42 -8.103 3.350 13.035 319 H TRP 43 H TRP 43 -5.764 5.996 10.001 320 HA TRP 43 HA TRP 43 -2.972 5.291 9.472 321 1HB TRP 43 2HB TRP 43 -4.550 7.713 8.601 322 2HB TRP 43 1HB TRP 43 -2.913 7.316 8.100 323 HD1 TRP 43 HD TRP 43 -5.467 4.496 8.173 324 HE1 TRP 43 1HE TRP 43 -6.024 3.815 5.760 325 HE3 TRP 43 3HE TRP 43 -3.050 8.248 5.717 326 HZ2 TRP 43 2HZ TRP 43 -5.490 4.744 3.151 327 HZ3 TRP 43 3HZ TRP 43 -3.114 8.282 3.263 328 HH2 TRP 43 HH TRP 43 -4.307 6.566 2.004 329 H THR 44 H THR 44 -1.412 5.923 10.790 330 HA THR 44 HA THR 44 -1.891 8.214 12.573 331 HB THR 44 HB THR 44 -0.039 7.277 13.949 332 HG1 THR 44 1HG THR 44 -0.227 5.024 12.244 333 1HG2 THR 44 1HG2 THR 44 -2.569 6.507 14.076 334 2HG2 THR 44 2HG2 THR 44 -1.313 5.804 15.095 335 3HG2 THR 44 3HG2 THR 44 -1.846 4.958 13.642 336 H TYR 45 H TYR 45 -0.475 9.953 12.516 337 HA TYR 45 HA TYR 45 1.527 9.851 10.358 338 1HB TYR 45 2HB TYR 45 -0.312 11.425 9.959 339 2HB TYR 45 1HB TYR 45 0.054 12.243 11.473 340 HD1 TYR 45 1HD TYR 45 2.491 11.000 8.962 341 HD2 TYR 45 2HD TYR 45 0.621 14.397 10.717 342 HE1 TYR 45 1HE TYR 45 4.066 12.471 7.778 343 HE2 TYR 45 2HE TYR 45 2.191 15.877 9.536 344 HH TYR 45 HH TYR 45 4.364 15.809 8.505 345 H ASP 46 H ASP 46 3.581 10.548 10.672 346 HA ASP 46 HA ASP 46 4.313 11.393 13.396 347 1HB ASP 46 2HB ASP 46 5.021 9.070 13.011 348 2HB ASP 46 1HB ASP 46 5.883 9.568 11.558 349 H ASP 47 H ASP 47 4.149 13.572 12.606 350 HA ASP 47 HA ASP 47 5.351 14.683 10.407 351 1HB ASP 47 2HB ASP 47 5.132 15.902 13.167 352 2HB ASP 47 1HB ASP 47 5.436 16.798 11.682 353 H ALA 48 H ALA 48 6.851 13.796 13.458 354 HA ALA 48 HA ALA 48 9.277 15.083 13.291 355 1HB ALA 48 1HB ALA 48 8.938 12.254 14.260 356 2HB ALA 48 2HB ALA 48 8.454 13.676 15.185 357 3HB ALA 48 3HB ALA 48 10.150 13.429 14.768 358 H THR 49 H THR 49 8.197 12.266 11.500 359 HA THR 49 HA THR 49 10.785 12.263 10.090 360 HB THR 49 HB THR 49 10.447 9.853 9.673 361 HG1 THR 49 1HG THR 49 8.142 10.284 11.251 362 1HG2 THR 49 1HG2 THR 49 10.581 9.059 12.087 363 2HG2 THR 49 2HG2 THR 49 10.477 10.764 12.524 364 3HG2 THR 49 3HG2 THR 49 11.814 10.189 11.529 365 H LYS 50 H LYS 50 7.887 13.420 9.646 366 HA LYS 50 HA LYS 50 6.455 13.760 7.876 367 1HB LYS 50 2HB LYS 50 9.129 13.423 6.525 368 2HB LYS 50 1HB LYS 50 7.679 13.848 5.629 369 1HG LYS 50 2HG LYS 50 8.556 15.465 7.990 370 2HG LYS 50 1HG LYS 50 9.255 15.723 6.391 371 1HD LYS 50 2HD LYS 50 7.073 16.195 5.466 372 2HD LYS 50 1HD LYS 50 6.300 15.798 7.002 373 1HE LYS 50 2HE LYS 50 6.483 18.225 6.635 374 2HE LYS 50 1HE LYS 50 7.362 17.691 8.067 375 1HZ LYS 50 1HZ LYS 50 9.007 18.901 7.184 376 2HZ LYS 50 2HZ LYS 50 8.349 18.883 5.628 377 3HZ LYS 50 3HZ LYS 50 9.261 17.569 6.174 378 H THR 51 H THR 51 6.536 11.064 8.840 379 HA THR 51 HA THR 51 5.853 9.632 6.364 380 HB THR 51 HB THR 51 7.283 8.536 8.791 381 HG1 THR 51 1HG THR 51 8.939 8.155 7.257 382 1HG2 THR 51 1HG2 THR 51 6.734 6.478 8.220 383 2HG2 THR 51 2HG2 THR 51 7.310 6.750 6.575 384 3HG2 THR 51 3HG2 THR 51 5.641 7.129 6.999 385 H PHE 52 H PHE 52 4.033 8.407 6.390 386 HA PHE 52 HA PHE 52 2.375 8.550 8.821 387 1HB PHE 52 2HB PHE 52 1.470 8.087 5.968 388 2HB PHE 52 1HB PHE 52 0.437 8.342 7.368 389 HD1 PHE 52 1HD PHE 52 -0.502 10.415 7.585 390 HD2 PHE 52 2HD PHE 52 3.263 10.062 5.630 391 HE1 PHE 52 1HE PHE 52 -0.519 12.832 7.117 392 HE2 PHE 52 2HE PHE 52 3.254 12.475 5.168 393 HZ PHE 52 HZ PHE 52 1.362 13.864 5.911 394 H THR 53 H THR 53 1.330 6.638 9.541 395 HA THR 53 HA THR 53 2.271 4.185 8.225 396 HB THR 53 HB THR 53 2.065 3.193 10.626 397 HG1 THR 53 1HG THR 53 2.565 5.918 11.205 398 1HG2 THR 53 1HG2 THR 53 4.310 4.770 9.492 399 2HG2 THR 53 2HG2 THR 53 4.188 3.041 9.828 400 3HG2 THR 53 3HG2 THR 53 4.425 4.185 11.152 401 H VAL 54 H VAL 54 0.823 2.794 7.624 402 HA VAL 54 HA VAL 54 -1.938 3.078 8.607 403 HB VAL 54 HB VAL 54 -0.971 1.789 6.040 404 1HG1 VAL 54 1HG1 VAL 54 -2.927 0.690 6.278 405 2HG1 VAL 54 2HG1 VAL 54 -3.609 2.202 5.682 406 3HG1 VAL 54 3HG1 VAL 54 -3.578 1.870 7.414 407 1HG2 VAL 54 1HG2 VAL 54 -2.408 4.407 6.471 408 2HG2 VAL 54 2HG2 VAL 54 -1.985 3.698 4.912 409 3HG2 VAL 54 3HG2 VAL 54 -0.714 4.222 6.016 410 H THR 55 H THR 55 -2.466 1.584 10.083 411 HA THR 55 HA THR 55 -1.104 -1.014 9.923 412 HB THR 55 HB THR 55 -2.413 0.091 12.396 413 HG1 THR 55 1HG THR 55 -0.575 1.091 12.895 414 1HG2 THR 55 1HG2 THR 55 -0.171 -1.891 12.073 415 2HG2 THR 55 2HG2 THR 55 -1.858 -2.318 12.369 416 3HG2 THR 55 3HG2 THR 55 -0.956 -1.403 13.578 417 H GLU 56 H GLU 56 -2.222 -2.728 9.404 418 HA GLU 56 HA GLU 56 -4.929 -2.725 8.769 419 1HB GLU 56 2HB GLU 56 -3.384 -4.386 7.893 420 2HB GLU 56 1HB GLU 56 -3.126 -5.038 9.505 421 1HG GLU 56 2HG GLU 56 -4.604 -6.461 8.222 422 2HG GLU 56 1HG GLU 56 -5.453 -5.756 9.597 423 1H MET 1 1HT MET 1 6.057 18.613 -2.622 424 2H MET 1 2HT MET 1 5.722 19.478 -1.208 425 3H MET 1 3HT MET 1 4.960 17.997 -1.490 426 HA MET 1 HA MET 1 7.891 18.134 -1.358 427 1HB MET 1 2HB MET 1 7.072 19.297 0.636 428 2HB MET 1 1HB MET 1 5.993 17.957 0.994 429 1HG MET 1 2HG MET 1 7.907 16.492 1.340 430 2HG MET 1 1HG MET 1 8.999 17.823 0.959 431 1HE MET 1 1HE MET 1 9.791 16.484 2.973 432 2HE MET 1 2HE MET 1 9.000 16.444 4.549 433 3HE MET 1 3HE MET 1 10.131 17.740 4.164 434 H GLN 2 H GLN 2 8.710 16.068 -0.452 435 HA GLN 2 HA GLN 2 7.140 13.836 -1.495 436 1HB GLN 2 2HB GLN 2 9.423 14.081 -2.333 437 2HB GLN 2 1HB GLN 2 10.053 14.038 -0.694 438 1HG GLN 2 2HG GLN 2 8.532 11.754 -1.913 439 2HG GLN 2 1HG GLN 2 10.281 11.929 -2.054 440 1HE2 GLN 2 1HE2 GLN 2 7.984 10.370 -0.415 441 2HE2 GLN 2 2HE2 GLN 2 8.783 10.120 1.095 442 H TYR 3 H TYR 3 6.203 12.372 -0.187 443 HA TYR 3 HA TYR 3 7.020 12.332 2.645 444 1HB TYR 3 2HB TYR 3 4.209 12.130 1.549 445 2HB TYR 3 1HB TYR 3 4.652 11.915 3.238 446 HD1 TYR 3 1HD TYR 3 4.940 13.776 4.666 447 HD2 TYR 3 2HD TYR 3 4.553 14.377 0.473 448 HE1 TYR 3 1HE TYR 3 4.708 16.194 5.041 449 HE2 TYR 3 2HE TYR 3 4.320 16.797 0.836 450 HH TYR 3 HH TYR 3 3.913 18.154 3.996 451 H LYS 4 H LYS 4 7.124 10.354 3.646 452 HA LYS 4 HA LYS 4 6.882 8.044 1.844 453 1HB LYS 4 2HB LYS 4 9.121 8.408 2.736 454 2HB LYS 4 1HB LYS 4 8.498 8.369 4.380 455 1HG LYS 4 2HG LYS 4 7.801 6.031 4.029 456 2HG LYS 4 1HG LYS 4 8.513 6.084 2.417 457 1HD LYS 4 2HD LYS 4 10.045 6.585 4.967 458 2HD LYS 4 1HD LYS 4 9.960 5.023 4.155 459 1HE LYS 4 2HE LYS 4 11.991 6.036 3.474 460 2HE LYS 4 1HE LYS 4 10.884 6.154 2.109 461 1HZ LYS 4 1HZ LYS 4 10.974 8.364 2.166 462 2HZ LYS 4 2HZ LYS 4 12.299 8.202 3.204 463 3HZ LYS 4 3HZ LYS 4 10.751 8.431 3.843 464 H VAL 5 H VAL 5 5.073 6.934 2.087 465 HA VAL 5 HA VAL 5 3.751 6.880 4.691 466 HB VAL 5 HB VAL 5 2.764 5.899 2.006 467 1HG1 VAL 5 1HG1 VAL 5 1.400 6.083 4.687 468 2HG1 VAL 5 2HG1 VAL 5 1.693 4.632 3.729 469 3HG1 VAL 5 3HG1 VAL 5 0.547 5.845 3.161 470 1HG2 VAL 5 1HG2 VAL 5 1.139 7.939 2.661 471 2HG2 VAL 5 2HG2 VAL 5 2.587 8.122 1.671 472 3HG2 VAL 5 3HG2 VAL 5 2.644 8.495 3.394 473 H ILE 6 H ILE 6 3.640 5.127 5.934 474 HA ILE 6 HA ILE 6 4.970 2.684 4.990 475 HB ILE 6 HB ILE 6 4.580 3.786 7.773 476 1HG1 ILE 6 2HG1 ILE 6 7.066 3.254 6.135 477 2HG1 ILE 6 1HG1 ILE 6 6.364 4.836 6.454 478 1HG2 ILE 6 1HG2 ILE 6 4.571 1.656 8.443 479 2HG2 ILE 6 2HG2 ILE 6 6.291 1.682 8.057 480 3HG2 ILE 6 3HG2 ILE 6 5.134 1.059 6.881 481 1HD1 ILE 6 1HD1 ILE 6 6.683 4.136 8.951 482 2HD1 ILE 6 2HD1 ILE 6 8.035 4.766 8.010 483 3HD1 ILE 6 3HD1 ILE 6 7.873 3.028 8.267 484 H LEU 7 H LEU 7 3.773 0.922 4.676 485 HA LEU 7 HA LEU 7 1.065 0.857 5.814 486 1HB LEU 7 2HB LEU 7 2.074 -0.889 3.580 487 2HB LEU 7 1HB LEU 7 0.417 -0.504 3.999 488 HG LEU 7 HG LEU 7 2.413 1.397 2.790 489 1HD1 LEU 7 1HD1 LEU 7 1.279 1.169 0.778 490 2HD1 LEU 7 2HD1 LEU 7 -0.142 0.456 1.546 491 3HD1 LEU 7 3HD1 LEU 7 1.341 -0.484 1.390 492 1HD2 LEU 7 1HD2 LEU 7 -0.508 1.924 3.203 493 2HD2 LEU 7 2HD2 LEU 7 0.793 3.069 2.868 494 3HD2 LEU 7 3HD2 LEU 7 0.675 2.306 4.453 495 H ASN 8 H ASN 8 1.748 0.111 7.840 496 HA ASN 8 HA ASN 8 3.057 -2.495 7.992 497 1HB ASN 8 2HB ASN 8 2.338 -0.463 10.101 498 2HB ASN 8 1HB ASN 8 2.991 -2.048 10.489 499 1HD2 ASN 8 1HD2 ASN 8 4.411 -1.321 7.653 500 2HD2 ASN 8 2HD2 ASN 8 5.836 -0.541 8.226 501 H GLY 9 H GLY 9 1.781 -4.217 7.774 502 1HA GLY 9 2HA GLY 9 -0.809 -4.189 9.203 503 2HA GLY 9 1HA GLY 9 -0.536 -5.070 7.707 504 H LYS 10 H LYS 10 -1.440 -6.828 9.090 505 HA LYS 10 HA LYS 10 0.327 -7.912 11.099 506 1HB LYS 10 2HB LYS 10 -2.123 -9.171 9.850 507 2HB LYS 10 1HB LYS 10 -1.332 -9.673 11.335 508 1HG LYS 10 2HG LYS 10 -2.434 -6.910 11.096 509 2HG LYS 10 1HG LYS 10 -3.508 -8.267 11.432 510 1HD LYS 10 2HD LYS 10 -2.816 -7.203 13.501 511 2HD LYS 10 1HD LYS 10 -2.151 -8.833 13.402 512 1HE LYS 10 2HE LYS 10 0.005 -7.989 12.817 513 2HE LYS 10 1HE LYS 10 -0.622 -6.350 12.643 514 1HZ LYS 10 1HZ LYS 10 0.602 -6.923 14.776 515 2HZ LYS 10 2HZ LYS 10 -0.773 -7.808 15.210 516 3HZ LYS 10 3HZ LYS 10 -0.890 -6.142 14.936 517 H THR 11 H THR 11 -0.929 -9.022 7.967 518 HA THR 11 HA THR 11 1.293 -10.907 7.749 519 HB THR 11 HB THR 11 -0.137 -11.738 5.788 520 HG1 THR 11 1HG THR 11 -2.159 -10.282 7.115 521 1HG2 THR 11 1HG2 THR 11 -1.971 -12.608 7.478 522 2HG2 THR 11 2HG2 THR 11 -0.810 -12.002 8.658 523 3HG2 THR 11 3HG2 THR 11 -0.320 -13.229 7.488 524 H LEU 12 H LEU 12 0.619 -7.809 6.861 525 HA LEU 12 HA LEU 12 2.401 -8.022 4.553 526 1HB LEU 12 2HB LEU 12 0.148 -7.876 3.659 527 2HB LEU 12 1HB LEU 12 -0.167 -6.443 4.619 528 HG LEU 12 HG LEU 12 1.391 -5.160 3.328 529 1HD1 LEU 12 1HD1 LEU 12 3.175 -6.214 2.531 530 2HD1 LEU 12 2HD1 LEU 12 2.150 -6.759 1.202 531 3HD1 LEU 12 3HD1 LEU 12 2.378 -7.778 2.620 532 1HD2 LEU 12 1HD2 LEU 12 -0.068 -4.821 1.681 533 2HD2 LEU 12 2HD2 LEU 12 -0.975 -6.175 2.353 534 3HD2 LEU 12 3HD2 LEU 12 0.162 -6.445 1.033 535 H LYS 13 H LYS 13 3.901 -6.487 4.385 536 HA LYS 13 HA LYS 13 3.690 -4.030 5.942 537 1HB LYS 13 2HB LYS 13 6.020 -5.943 6.223 538 2HB LYS 13 1HB LYS 13 5.922 -4.338 6.938 539 1HG LYS 13 2HG LYS 13 4.022 -5.045 8.291 540 2HG LYS 13 1HG LYS 13 4.098 -6.651 7.564 541 1HD LYS 13 2HD LYS 13 6.351 -6.951 8.478 542 2HD LYS 13 1HD LYS 13 6.268 -5.346 9.207 543 1HE LYS 13 2HE LYS 13 4.359 -6.062 10.560 544 2HE LYS 13 1HE LYS 13 4.439 -7.663 9.828 545 1HZ LYS 13 1HZ LYS 13 6.119 -6.476 11.877 546 2HZ LYS 13 2HZ LYS 13 6.928 -7.409 10.722 547 3HZ LYS 13 3HZ LYS 13 5.680 -8.093 11.637 548 H GLY 14 H GLY 14 4.930 -2.319 5.087 549 1HA GLY 14 2HA GLY 14 6.941 -2.693 3.126 550 2HA GLY 14 1HA GLY 14 5.404 -2.376 2.343 551 H GLU 15 H GLU 15 7.009 -0.607 1.619 552 HA GLU 15 HA GLU 15 6.403 1.771 3.221 553 1HB GLU 15 2HB GLU 15 9.105 1.144 2.011 554 2HB GLU 15 1HB GLU 15 8.656 2.688 2.716 555 1HG GLU 15 2HG GLU 15 9.938 1.511 4.322 556 2HG GLU 15 1HG GLU 15 8.264 1.501 4.875 557 H THR 16 H THR 16 5.724 3.470 2.050 558 HA THR 16 HA THR 16 6.114 3.424 -0.851 559 HB THR 16 HB THR 16 3.966 2.575 -0.825 560 HG1 THR 16 1HG THR 16 3.447 5.327 -0.642 561 1HG2 THR 16 1HG2 THR 16 3.424 4.264 1.587 562 2HG2 THR 16 2HG2 THR 16 3.402 2.509 1.457 563 3HG2 THR 16 3HG2 THR 16 2.151 3.468 0.666 564 H THR 17 H THR 17 5.461 5.574 -1.869 565 HA THR 17 HA THR 17 5.777 7.823 -0.028 566 HB THR 17 HB THR 17 7.561 8.794 -1.460 567 HG1 THR 17 1HG THR 17 8.589 7.442 -2.933 568 1HG2 THR 17 1HG2 THR 17 8.352 7.755 0.508 569 2HG2 THR 17 2HG2 THR 17 9.384 7.202 -0.811 570 3HG2 THR 17 3HG2 THR 17 8.127 6.144 -0.171 571 H THR 18 H THR 18 4.377 9.356 -0.472 572 HA THR 18 HA THR 18 3.336 9.644 -3.228 573 HB THR 18 HB THR 18 1.644 9.021 -1.504 574 HG1 THR 18 1HG THR 18 1.100 10.354 -3.313 575 1HG2 THR 18 1HG2 THR 18 2.264 9.963 0.514 576 2HG2 THR 18 2HG2 THR 18 0.922 10.980 -0.009 577 3HG2 THR 18 3HG2 THR 18 2.582 11.542 -0.204 578 H GLU 19 H GLU 19 3.234 11.734 -4.112 579 HA GLU 19 HA GLU 19 4.861 13.741 -2.695 580 1HB GLU 19 2HB GLU 19 5.792 13.006 -4.840 581 2HB GLU 19 1HB GLU 19 4.297 13.447 -5.653 582 1HG GLU 19 2HG GLU 19 4.663 15.787 -5.060 583 2HG GLU 19 1HG GLU 19 6.160 15.344 -4.244 584 H ALA 20 H ALA 20 3.732 15.364 -1.802 585 HA ALA 20 HA ALA 20 1.519 16.529 -3.299 586 1HB ALA 20 1HB ALA 20 0.808 14.674 -1.565 587 2HB ALA 20 2HB ALA 20 -0.134 16.150 -1.773 588 3HB ALA 20 3HB ALA 20 0.991 16.004 -0.422 589 H VAL 21 H VAL 21 0.959 18.610 -2.672 590 HA VAL 21 HA VAL 21 2.987 20.360 -2.081 591 HB VAL 21 HB VAL 21 0.089 20.864 -1.404 592 1HG1 VAL 21 1HG1 VAL 21 2.208 22.805 -2.308 593 2HG1 VAL 21 2HG1 VAL 21 1.775 22.531 -0.620 594 3HG1 VAL 21 3HG1 VAL 21 0.577 23.175 -1.743 595 1HG2 VAL 21 1HG2 VAL 21 0.134 21.862 -3.785 596 2HG2 VAL 21 2HG2 VAL 21 -0.029 20.116 -3.597 597 3HG2 VAL 21 3HG2 VAL 21 1.533 20.815 -4.025 598 H ASP 22 H ASP 22 1.074 18.535 0.166 599 HA ASP 22 HA ASP 22 2.798 19.364 2.326 600 1HB ASP 22 2HB ASP 22 1.064 20.197 3.814 601 2HB ASP 22 1HB ASP 22 1.103 21.160 2.340 602 H ALA 23 H ALA 23 1.975 18.303 4.468 603 HA ALA 23 HA ALA 23 2.002 15.538 4.061 604 1HB ALA 23 1HB ALA 23 1.741 17.332 6.377 605 2HB ALA 23 2HB ALA 23 2.776 15.924 6.141 606 3HB ALA 23 3HB ALA 23 1.086 15.710 6.596 607 H ALA 24 H ALA 24 -0.690 17.716 4.776 608 HA ALA 24 HA ALA 24 -2.643 15.695 5.089 609 1HB ALA 24 1HB ALA 24 -4.275 17.431 4.902 610 2HB ALA 24 2HB ALA 24 -3.139 18.494 4.073 611 3HB ALA 24 3HB ALA 24 -2.897 18.100 5.775 612 H THR 25 H THR 25 -1.857 17.759 2.270 613 HA THR 25 HA THR 25 -3.580 16.649 0.435 614 HB THR 25 HB THR 25 -1.893 17.331 -1.268 615 HG1 THR 25 1HG THR 25 -0.309 17.547 1.022 616 1HG2 THR 25 1HG2 THR 25 -1.595 19.743 -0.426 617 2HG2 THR 25 2HG2 THR 25 -2.614 19.222 0.916 618 3HG2 THR 25 3HG2 THR 25 -3.223 19.137 -0.737 619 H ALA 26 H ALA 26 -0.335 15.607 1.388 620 HA ALA 26 HA ALA 26 -0.133 13.403 -0.342 621 1HB ALA 26 1HB ALA 26 1.120 13.968 2.340 622 2HB ALA 26 2HB ALA 26 1.840 14.162 0.741 623 3HB ALA 26 3HB ALA 26 1.514 12.547 1.373 624 H GLU 27 H GLU 27 -1.242 13.622 3.052 625 HA GLU 27 HA GLU 27 -1.869 10.954 3.429 626 1HB GLU 27 2HB GLU 27 -1.840 12.812 5.154 627 2HB GLU 27 1HB GLU 27 -3.446 13.244 4.587 628 1HG GLU 27 2HG GLU 27 -2.727 10.518 5.626 629 2HG GLU 27 1HG GLU 27 -3.379 11.808 6.633 630 H LYS 28 H LYS 28 -3.883 13.571 2.122 631 HA LYS 28 HA LYS 28 -6.190 11.952 1.754 632 1HB LYS 28 2HB LYS 28 -5.327 14.636 0.729 633 2HB LYS 28 1HB LYS 28 -6.764 13.864 0.075 634 1HG LYS 28 2HG LYS 28 -7.024 15.521 2.023 635 2HG LYS 28 1HG LYS 28 -7.915 13.999 2.081 636 1HD LYS 28 2HD LYS 28 -6.207 13.041 3.531 637 2HD LYS 28 1HD LYS 28 -5.288 14.547 3.460 638 1HE LYS 28 2HE LYS 28 -8.066 14.220 4.590 639 2HE LYS 28 1HE LYS 28 -6.583 14.392 5.529 640 1HZ LYS 28 1HZ LYS 28 -8.162 16.405 4.201 641 2HZ LYS 28 2HZ LYS 28 -6.503 16.545 3.907 642 3HZ LYS 28 3HZ LYS 28 -7.083 16.556 5.496 643 H VAL 29 H VAL 29 -3.609 13.023 -0.455 644 HA VAL 29 HA VAL 29 -4.550 11.789 -2.767 645 HB VAL 29 HB VAL 29 -1.676 12.172 -1.894 646 1HG1 VAL 29 1HG1 VAL 29 -1.908 10.513 -3.692 647 2HG1 VAL 29 2HG1 VAL 29 -1.093 11.978 -4.238 648 3HG1 VAL 29 3HG1 VAL 29 -2.783 11.701 -4.658 649 1HG2 VAL 29 1HG2 VAL 29 -3.522 14.114 -2.335 650 2HG2 VAL 29 2HG2 VAL 29 -2.835 13.921 -3.946 651 3HG2 VAL 29 3HG2 VAL 29 -1.788 14.310 -2.583 652 H VAL 30 H VAL 30 -2.608 10.541 -0.108 653 HA VAL 30 HA VAL 30 -2.151 7.961 -1.178 654 HB VAL 30 HB VAL 30 -2.332 8.812 1.723 655 1HG1 VAL 30 1HG1 VAL 30 -2.330 6.245 0.773 656 2HG1 VAL 30 2HG1 VAL 30 -1.750 6.742 2.362 657 3HG1 VAL 30 3HG1 VAL 30 -0.612 6.550 1.030 658 1HG2 VAL 30 1HG2 VAL 30 -0.502 9.615 -0.175 659 2HG2 VAL 30 2HG2 VAL 30 0.308 8.270 0.628 660 3HG2 VAL 30 3HG2 VAL 30 -0.266 9.645 1.572 661 H LYS 31 H LYS 31 -4.694 9.299 0.956 662 HA LYS 31 HA LYS 31 -6.128 7.030 1.501 663 1HB LYS 31 2HB LYS 31 -7.013 9.852 1.039 664 2HB LYS 31 1HB LYS 31 -8.199 8.588 1.334 665 1HG LYS 31 2HG LYS 31 -6.901 8.039 3.427 666 2HG LYS 31 1HG LYS 31 -6.014 9.538 3.151 667 1HD LYS 31 2HD LYS 31 -7.992 10.843 3.360 668 2HD LYS 31 1HD LYS 31 -9.017 9.407 3.325 669 1HE LYS 31 2HE LYS 31 -8.041 8.674 5.456 670 2HE LYS 31 1HE LYS 31 -7.045 10.127 5.493 671 1HZ LYS 31 1HZ LYS 31 -9.671 10.955 5.120 672 2HZ LYS 31 2HZ LYS 31 -8.710 11.156 6.497 673 3HZ LYS 31 3HZ LYS 31 -9.706 9.799 6.355 674 H GLN 32 H GLN 32 -6.357 9.086 -1.353 675 HA GLN 32 HA GLN 32 -8.386 7.673 -2.688 676 1HB GLN 32 2HB GLN 32 -7.609 9.918 -3.376 677 2HB GLN 32 1HB GLN 32 -6.083 9.222 -3.898 678 1HG GLN 32 2HG GLN 32 -7.469 9.600 -5.809 679 2HG GLN 32 1HG GLN 32 -7.294 7.868 -5.557 680 1HE2 GLN 32 1HE2 GLN 32 -9.384 9.205 -3.264 681 2HE2 GLN 32 2HE2 GLN 32 -10.873 8.813 -4.037 682 H PHE 33 H PHE 33 -4.927 7.209 -2.515 683 HA PHE 33 HA PHE 33 -4.474 5.371 -4.528 684 1HB PHE 33 2HB PHE 33 -2.799 6.449 -2.938 685 2HB PHE 33 1HB PHE 33 -3.251 5.223 -1.763 686 HD1 PHE 33 1HD PHE 33 -2.065 5.533 -5.274 687 HD2 PHE 33 2HD PHE 33 -2.013 3.285 -1.649 688 HE1 PHE 33 1HE PHE 33 -0.398 4.001 -6.238 689 HE2 PHE 33 2HE PHE 33 -0.345 1.764 -2.619 690 HZ PHE 33 HZ PHE 33 0.463 2.126 -4.918 691 H PHE 34 H PHE 34 -4.869 4.465 -1.139 692 HA PHE 34 HA PHE 34 -5.506 1.763 -1.664 693 1HB PHE 34 2HB PHE 34 -6.071 3.379 0.823 694 2HB PHE 34 1HB PHE 34 -6.045 1.616 0.712 695 HD1 PHE 34 1HD PHE 34 -3.792 0.859 -0.697 696 HD2 PHE 34 2HD PHE 34 -4.212 4.213 1.873 697 HE1 PHE 34 1HE PHE 34 -1.360 0.889 -0.347 698 HE2 PHE 34 2HE PHE 34 -1.783 4.245 2.243 699 HZ PHE 34 HZ PHE 34 -0.358 2.580 1.116 700 H ASN 35 H ASN 35 -7.513 4.604 -1.148 701 HA ASN 35 HA ASN 35 -10.013 3.460 -0.837 702 1HB ASN 35 2HB ASN 35 -9.600 5.876 -0.723 703 2HB ASN 35 1HB ASN 35 -9.254 5.911 -2.449 704 1HD2 ASN 35 1HD2 ASN 35 -11.451 6.782 -0.343 705 2HD2 ASN 35 2HD2 ASN 35 -12.901 6.587 -1.258 706 H ASP 36 H ASP 36 -8.121 3.985 -3.721 707 HA ASP 36 HA ASP 36 -10.164 2.773 -5.422 708 1HB ASP 36 2HB ASP 36 -7.539 4.078 -6.157 709 2HB ASP 36 1HB ASP 36 -8.722 3.465 -7.307 710 H ASN 37 H ASN 37 -7.135 1.932 -3.945 711 HA ASN 37 HA ASN 37 -6.605 -0.261 -5.752 712 1HB ASN 37 2HB ASN 37 -5.406 0.391 -3.047 713 2HB ASN 37 1HB ASN 37 -4.844 -0.889 -4.113 714 1HD2 ASN 37 1HD2 ASN 37 -3.752 1.772 -3.023 715 2HD2 ASN 37 2HD2 ASN 37 -3.067 2.510 -4.428 716 H GLY 38 H GLY 38 -7.801 0.190 -2.496 717 1HA GLY 38 2HA GLY 38 -8.273 -1.760 -1.057 718 2HA GLY 38 1HA GLY 38 -9.724 -1.059 -1.733 719 H VAL 39 H VAL 39 -11.108 -2.443 -2.489 720 HA VAL 39 HA VAL 39 -10.402 -5.194 -2.772 721 HB VAL 39 HB VAL 39 -13.058 -3.864 -3.220 722 1HG1 VAL 39 1HG1 VAL 39 -12.160 -6.694 -3.239 723 2HG1 VAL 39 2HG1 VAL 39 -13.431 -5.902 -4.170 724 3HG1 VAL 39 3HG1 VAL 39 -13.710 -6.331 -2.481 725 1HG2 VAL 39 1HG2 VAL 39 -13.240 -5.186 -0.854 726 2HG2 VAL 39 2HG2 VAL 39 -12.882 -3.467 -1.016 727 3HG2 VAL 39 3HG2 VAL 39 -11.569 -4.627 -0.810 728 H ASP 40 H ASP 40 -11.967 -2.956 -5.126 729 HA ASP 40 HA ASP 40 -11.533 -4.949 -7.179 730 1HB ASP 40 2HB ASP 40 -12.917 -2.268 -7.276 731 2HB ASP 40 1HB ASP 40 -12.857 -3.421 -8.605 732 H GLY 41 H GLY 41 -9.192 -3.445 -6.073 733 1HA GLY 41 2HA GLY 41 -8.331 -1.564 -8.017 734 2HA GLY 41 1HA GLY 41 -7.295 -2.409 -6.875 735 H GLU 42 H GLU 42 -6.810 -1.782 -9.700 736 HA GLU 42 HA GLU 42 -6.975 -4.299 -11.116 737 1HB GLU 42 2HB GLU 42 -5.695 -1.646 -11.781 738 2HB GLU 42 1HB GLU 42 -5.564 -3.051 -12.827 739 1HG GLU 42 2HG GLU 42 -7.302 -1.582 -13.614 740 2HG GLU 42 1HG GLU 42 -7.998 -3.102 -13.060 741 H TRP 43 H TRP 43 -5.766 -5.802 -9.993 742 HA TRP 43 HA TRP 43 -2.965 -5.165 -9.424 743 1HB TRP 43 2HB TRP 43 -4.614 -7.549 -8.576 744 2HB TRP 43 1HB TRP 43 -2.976 -7.192 -8.052 745 HD1 TRP 43 HD TRP 43 -5.459 -4.310 -8.161 746 HE1 TRP 43 1HE TRP 43 -6.035 -3.616 -5.756 747 HE3 TRP 43 3HE TRP 43 -3.167 -8.120 -5.671 748 HZ2 TRP 43 2HZ TRP 43 -5.559 -4.558 -3.139 749 HZ3 TRP 43 3HZ TRP 43 -3.268 -8.153 -3.219 750 HH2 TRP 43 HH TRP 43 -4.435 -6.407 -1.976 751 H THR 44 H THR 44 -1.402 -5.835 -10.720 752 HA THR 44 HA THR 44 -1.912 -8.115 -12.511 753 HB THR 44 HB THR 44 -0.018 -7.224 -13.860 754 HG1 THR 44 1HG THR 44 -0.176 -4.968 -12.158 755 1HG2 THR 44 1HG2 THR 44 -2.527 -6.391 -14.023 756 2HG2 THR 44 2HG2 THR 44 -1.240 -5.720 -15.024 757 3HG2 THR 44 3HG2 THR 44 -1.773 -4.861 -13.578 758 H TYR 45 H TYR 45 -0.538 -9.888 -12.435 759 HA TYR 45 HA TYR 45 1.432 -9.833 -10.248 760 1HB TYR 45 2HB TYR 45 -0.449 -11.364 -9.875 761 2HB TYR 45 1HB TYR 45 -0.081 -12.190 -11.384 762 HD1 TYR 45 1HD TYR 45 2.349 -11.007 -8.840 763 HD2 TYR 45 2HD TYR 45 0.423 -14.356 -10.619 764 HE1 TYR 45 1HE TYR 45 3.872 -12.515 -7.632 765 HE2 TYR 45 2HE TYR 45 1.940 -15.874 -9.418 766 HH TYR 45 HH TYR 45 4.099 -15.859 -8.356 767 H ASP 46 H ASP 46 3.474 -10.581 -10.534 768 HA ASP 46 HA ASP 46 4.225 -11.444 -13.247 769 1HB ASP 46 2HB ASP 46 4.983 -9.140 -12.850 770 2HB ASP 46 1HB ASP 46 5.812 -9.656 -11.386 771 H ASP 47 H ASP 47 3.996 -13.619 -12.461 772 HA ASP 47 HA ASP 47 5.139 -14.758 -10.244 773 1HB ASP 47 2HB ASP 47 4.929 -15.971 -13.007 774 2HB ASP 47 1HB ASP 47 5.191 -16.874 -11.518 775 H ALA 48 H ALA 48 6.704 -13.909 -13.273 776 HA ALA 48 HA ALA 48 9.094 -15.254 -13.072 777 1HB ALA 48 1HB ALA 48 8.837 -12.418 -14.045 778 2HB ALA 48 2HB ALA 48 8.333 -13.827 -14.977 779 3HB ALA 48 3HB ALA 48 10.028 -13.622 -14.537 780 H THR 49 H THR 49 8.058 -12.411 -11.297 781 HA THR 49 HA THR 49 10.626 -12.470 -9.850 782 HB THR 49 HB THR 49 10.339 -10.054 -9.437 783 HG1 THR 49 1HG THR 49 8.048 -10.428 -11.047 784 1HG2 THR 49 1HG2 THR 49 10.527 -9.264 -11.849 785 2HG2 THR 49 2HG2 THR 49 10.389 -10.965 -12.288 786 3HG2 THR 49 3HG2 THR 49 11.725 -10.422 -11.273 787 H LYS 50 H LYS 50 7.695 -13.557 -9.447 788 HA LYS 50 HA LYS 50 6.230 -13.861 -7.699 789 1HB LYS 50 2HB LYS 50 8.892 -13.589 -6.309 790 2HB LYS 50 1HB LYS 50 7.420 -13.979 -5.432 791 1HG LYS 50 2HG LYS 50 8.289 -15.616 -7.781 792 2HG LYS 50 1HG LYS 50 8.960 -15.891 -6.174 793 1HD LYS 50 2HD LYS 50 6.754 -16.311 -5.279 794 2HD LYS 50 1HD LYS 50 6.013 -15.896 -6.825 795 1HE LYS 50 2HE LYS 50 6.131 -18.325 -6.455 796 2HE LYS 50 1HE LYS 50 7.043 -17.815 -7.875 797 1HZ LYS 50 1HZ LYS 50 8.647 -19.063 -6.969 798 2HZ LYS 50 2HZ LYS 50 7.967 -19.028 -5.422 799 3HZ LYS 50 3HZ LYS 50 8.917 -17.736 -5.958 800 H THR 51 H THR 51 6.389 -11.169 -8.661 801 HA THR 51 HA THR 51 5.707 -9.720 -6.192 802 HB THR 51 HB THR 51 7.196 -8.659 -8.599 803 HG1 THR 51 1HG THR 51 8.839 -8.320 -7.041 804 1HG2 THR 51 1HG2 THR 51 6.691 -6.589 -8.035 805 2HG2 THR 51 2HG2 THR 51 7.237 -6.875 -6.383 806 3HG2 THR 51 3HG2 THR 51 5.563 -7.211 -6.830 807 H PHE 52 H PHE 52 3.918 -8.451 -6.244 808 HA PHE 52 HA PHE 52 2.292 -8.554 -8.698 809 1HB PHE 52 2HB PHE 52 1.357 -8.069 -5.859 810 2HB PHE 52 1HB PHE 52 0.338 -8.299 -7.274 811 HD1 PHE 52 1HD PHE 52 -0.647 -10.350 -7.503 812 HD2 PHE 52 2HD PHE 52 3.097 -10.086 -5.497 813 HE1 PHE 52 1HE PHE 52 -0.730 -12.765 -7.038 814 HE2 PHE 52 2HE PHE 52 3.022 -12.500 -5.034 815 HZ PHE 52 HZ PHE 52 1.108 -13.842 -5.805 816 H THR 53 H THR 53 1.304 -6.618 -9.433 817 HA THR 53 HA THR 53 2.284 -4.187 -8.104 818 HB THR 53 HB THR 53 2.137 -3.192 -10.506 819 HG1 THR 53 1HG THR 53 2.579 -5.928 -11.080 820 1HG2 THR 53 1HG2 THR 53 4.326 -4.821 -9.341 821 2HG2 THR 53 2HG2 THR 53 4.252 -3.090 -9.679 822 3HG2 THR 53 3HG2 THR 53 4.479 -4.241 -10.999 823 H VAL 54 H VAL 54 0.863 -2.762 -7.522 824 HA VAL 54 HA VAL 54 -1.891 -2.979 -8.545 825 HB VAL 54 HB VAL 54 -0.929 -1.714 -5.965 826 1HG1 VAL 54 1HG1 VAL 54 -2.855 -0.566 -6.230 827 2HG1 VAL 54 2HG1 VAL 54 -3.582 -2.061 -5.643 828 3HG1 VAL 54 3HG1 VAL 54 -3.518 -1.732 -7.375 829 1HG2 VAL 54 1HG2 VAL 54 -2.423 -4.296 -6.416 830 2HG2 VAL 54 2HG2 VAL 54 -2.005 -3.597 -4.851 831 3HG2 VAL 54 3HG2 VAL 54 -0.731 -4.152 -5.936 832 H THR 55 H THR 55 -2.361 -1.472 -10.028 833 HA THR 55 HA THR 55 -0.939 1.092 -9.849 834 HB THR 55 HB THR 55 -2.238 0.019 -12.339 835 HG1 THR 55 1HG THR 55 -0.419 -1.026 -12.812 836 1HG2 THR 55 1HG2 THR 55 0.046 1.945 -11.984 837 2HG2 THR 55 2HG2 THR 55 -1.626 2.413 -12.304 838 3HG2 THR 55 3HG2 THR 55 -0.728 1.477 -13.499 839 H GLU 56 H GLU 56 -2.022 2.832 -9.345 840 HA GLU 56 HA GLU 56 -4.736 2.895 -8.749 841 1HB GLU 56 2HB GLU 56 -3.165 4.517 -7.850 842 2HB GLU 56 1HB GLU 56 -2.867 5.164 -9.458 843 1HG GLU 56 2HG GLU 56 -4.330 6.622 -8.196 844 2HG GLU 56 1HG GLU 56 -5.175 5.939 -9.583 Start of MODEL 29 1 1H MET 1 1HT MET 1 5.617 -18.866 2.476 2 2H MET 1 2HT MET 1 5.362 -19.685 1.019 3 3H MET 1 3HT MET 1 4.561 -18.225 1.321 4 HA MET 1 HA MET 1 7.504 -18.332 1.285 5 1HB MET 1 2HB MET 1 6.319 -19.330 -0.816 6 2HB MET 1 1HB MET 1 5.869 -17.665 -1.152 7 1HG MET 1 2HG MET 1 8.460 -17.278 -0.800 8 2HG MET 1 1HG MET 1 8.525 -18.976 -1.253 9 1HE MET 1 1HE MET 1 7.413 -19.744 -4.026 10 2HE MET 1 2HE MET 1 6.215 -18.556 -4.546 11 3HE MET 1 3HE MET 1 6.113 -19.267 -2.932 12 H GLN 2 H GLN 2 8.331 -16.180 0.606 13 HA GLN 2 HA GLN 2 6.618 -14.051 1.650 14 1HB GLN 2 2HB GLN 2 8.846 -14.270 2.666 15 2HB GLN 2 1HB GLN 2 9.593 -14.082 1.085 16 1HG GLN 2 2HG GLN 2 8.697 -11.819 0.926 17 2HG GLN 2 1HG GLN 2 7.936 -12.008 2.502 18 1HE2 GLN 2 1HE2 GLN 2 10.793 -13.637 2.698 19 2HE2 GLN 2 2HE2 GLN 2 11.794 -12.381 3.327 20 H TYR 3 H TYR 3 5.924 -12.387 0.379 21 HA TYR 3 HA TYR 3 6.903 -12.339 -2.398 22 1HB TYR 3 2HB TYR 3 4.040 -12.007 -1.480 23 2HB TYR 3 1HB TYR 3 4.606 -11.804 -3.136 24 HD1 TYR 3 1HD TYR 3 4.921 -13.676 -4.554 25 HD2 TYR 3 2HD TYR 3 4.163 -14.269 -0.411 26 HE1 TYR 3 1HE TYR 3 4.586 -16.077 -4.966 27 HE2 TYR 3 2HE TYR 3 3.828 -16.673 -0.810 28 HH TYR 3 HH TYR 3 3.488 -17.985 -3.942 29 H LYS 4 H LYS 4 7.057 -10.354 -3.394 30 HA LYS 4 HA LYS 4 6.837 -8.042 -1.586 31 1HB LYS 4 2HB LYS 4 9.123 -8.486 -2.328 32 2HB LYS 4 1HB LYS 4 8.604 -8.446 -4.008 33 1HG LYS 4 2HG LYS 4 8.008 -6.090 -3.773 34 2HG LYS 4 1HG LYS 4 8.523 -6.127 -2.086 35 1HD LYS 4 2HD LYS 4 10.292 -6.684 -4.467 36 2HD LYS 4 1HD LYS 4 10.238 -5.165 -3.568 37 1HE LYS 4 2HE LYS 4 11.005 -7.860 -2.448 38 2HE LYS 4 1HE LYS 4 12.122 -6.563 -2.869 39 1HZ LYS 4 1HZ LYS 4 10.009 -6.421 -0.786 40 2HZ LYS 4 2HZ LYS 4 11.068 -5.169 -1.195 41 3HZ LYS 4 3HZ LYS 4 11.669 -6.591 -0.504 42 H VAL 5 H VAL 5 4.979 -7.013 -1.964 43 HA VAL 5 HA VAL 5 3.927 -6.889 -4.682 44 HB VAL 5 HB VAL 5 2.675 -5.952 -2.096 45 1HG1 VAL 5 1HG1 VAL 5 0.882 -5.234 -3.244 46 2HG1 VAL 5 2HG1 VAL 5 0.975 -6.554 -4.412 47 3HG1 VAL 5 3HG1 VAL 5 2.006 -5.135 -4.599 48 1HG2 VAL 5 1HG2 VAL 5 2.540 -8.178 -1.751 49 2HG2 VAL 5 2HG2 VAL 5 2.768 -8.564 -3.457 50 3HG2 VAL 5 3HG2 VAL 5 1.185 -8.053 -2.873 51 H ILE 6 H ILE 6 3.878 -5.111 -5.889 52 HA ILE 6 HA ILE 6 5.061 -2.667 -4.753 53 HB ILE 6 HB ILE 6 4.845 -3.449 -7.665 54 1HG1 ILE 6 2HG1 ILE 6 7.249 -3.445 -5.826 55 2HG1 ILE 6 1HG1 ILE 6 6.396 -4.884 -6.369 56 1HG2 ILE 6 1HG2 ILE 6 4.956 -0.955 -6.860 57 2HG2 ILE 6 2HG2 ILE 6 5.942 -1.504 -8.215 58 3HG2 ILE 6 3HG2 ILE 6 6.660 -1.330 -6.614 59 1HD1 ILE 6 1HD1 ILE 6 8.475 -4.452 -7.613 60 2HD1 ILE 6 2HD1 ILE 6 7.788 -2.931 -8.182 61 3HD1 ILE 6 3HD1 ILE 6 7.046 -4.461 -8.647 62 H LEU 7 H LEU 7 3.869 -0.891 -4.577 63 HA LEU 7 HA LEU 7 1.159 -0.941 -5.708 64 1HB LEU 7 2HB LEU 7 2.097 0.919 -3.546 65 2HB LEU 7 1HB LEU 7 0.463 0.381 -3.899 66 HG LEU 7 HG LEU 7 2.664 -1.269 -2.668 67 1HD1 LEU 7 1HD1 LEU 7 1.605 0.401 -1.192 68 2HD1 LEU 7 2HD1 LEU 7 1.287 -1.260 -0.693 69 3HD1 LEU 7 3HD1 LEU 7 0.038 -0.332 -1.527 70 1HD2 LEU 7 1HD2 LEU 7 -0.177 -2.066 -3.290 71 2HD2 LEU 7 2HD2 LEU 7 1.064 -3.067 -2.532 72 3HD2 LEU 7 3HD2 LEU 7 1.239 -2.569 -4.213 73 H ASN 8 H ASN 8 1.520 -0.089 -7.755 74 HA ASN 8 HA ASN 8 2.837 2.517 -7.943 75 1HB ASN 8 2HB ASN 8 1.950 0.574 -10.086 76 2HB ASN 8 1HB ASN 8 2.736 2.119 -10.400 77 1HD2 ASN 8 1HD2 ASN 8 4.812 1.984 -10.765 78 2HD2 ASN 8 2HD2 ASN 8 5.887 0.782 -10.143 79 H GLY 9 H GLY 9 1.455 4.155 -7.501 80 1HA GLY 9 2HA GLY 9 -1.233 4.026 -8.715 81 2HA GLY 9 1HA GLY 9 -0.830 4.959 -7.282 82 H LYS 10 H LYS 10 -2.006 6.585 -8.659 83 HA LYS 10 HA LYS 10 -0.749 7.652 -10.952 84 1HB LYS 10 2HB LYS 10 -2.816 8.778 -9.069 85 2HB LYS 10 1HB LYS 10 -2.252 9.645 -10.490 86 1HG LYS 10 2HG LYS 10 -3.484 6.908 -10.578 87 2HG LYS 10 1HG LYS 10 -4.391 8.405 -10.797 88 1HD LYS 10 2HD LYS 10 -2.929 8.967 -12.706 89 2HD LYS 10 1HD LYS 10 -2.102 7.422 -12.501 90 1HE LYS 10 2HE LYS 10 -4.181 6.233 -12.936 91 2HE LYS 10 1HE LYS 10 -5.042 7.765 -13.087 92 1HZ LYS 10 1HZ LYS 10 -3.492 6.366 -15.027 93 2HZ LYS 10 2HZ LYS 10 -2.951 7.958 -14.846 94 3HZ LYS 10 3HZ LYS 10 -4.567 7.654 -15.239 95 H THR 11 H THR 11 -0.918 8.846 -7.589 96 HA THR 11 HA THR 11 1.489 10.452 -8.114 97 HB THR 11 HB THR 11 0.544 11.890 -6.231 98 HG1 THR 11 1HG THR 11 -1.839 10.538 -6.925 99 1HG2 THR 11 1HG2 THR 11 -0.280 11.808 -9.003 100 2HG2 THR 11 2HG2 THR 11 0.132 13.189 -7.984 101 3HG2 THR 11 3HG2 THR 11 -1.502 12.527 -7.954 102 H LEU 12 H LEU 12 0.915 7.656 -6.927 103 HA LEU 12 HA LEU 12 2.672 8.022 -4.626 104 1HB LEU 12 2HB LEU 12 0.442 7.976 -3.701 105 2HB LEU 12 1HB LEU 12 0.065 6.520 -4.593 106 HG LEU 12 HG LEU 12 1.577 5.231 -3.242 107 1HD1 LEU 12 1HD1 LEU 12 2.643 7.845 -2.639 108 2HD1 LEU 12 2HD1 LEU 12 3.391 6.263 -2.480 109 3HD1 LEU 12 3HD1 LEU 12 2.377 6.894 -1.183 110 1HD2 LEU 12 1HD2 LEU 12 0.045 5.005 -1.651 111 2HD2 LEU 12 2HD2 LEU 12 -0.746 6.441 -2.304 112 3HD2 LEU 12 3HD2 LEU 12 0.415 6.596 -0.985 113 H LYS 13 H LYS 13 4.110 6.399 -4.298 114 HA LYS 13 HA LYS 13 3.859 3.917 -5.810 115 1HB LYS 13 2HB LYS 13 6.355 5.609 -6.006 116 2HB LYS 13 1HB LYS 13 6.041 4.085 -6.823 117 1HG LYS 13 2HG LYS 13 5.644 5.561 -8.516 118 2HG LYS 13 1HG LYS 13 4.021 5.402 -7.841 119 1HD LYS 13 2HD LYS 13 4.388 7.447 -6.523 120 2HD LYS 13 1HD LYS 13 5.989 7.608 -7.240 121 1HE LYS 13 2HE LYS 13 4.978 7.805 -9.456 122 2HE LYS 13 1HE LYS 13 3.376 7.631 -8.744 123 1HZ LYS 13 1HZ LYS 13 5.280 9.830 -8.148 124 2HZ LYS 13 2HZ LYS 13 3.715 9.674 -7.528 125 3HZ LYS 13 3HZ LYS 13 3.945 9.950 -9.180 126 H GLY 14 H GLY 14 5.067 2.190 -4.927 127 1HA GLY 14 2HA GLY 14 6.996 2.545 -2.883 128 2HA GLY 14 1HA GLY 14 5.425 2.237 -2.164 129 H GLU 15 H GLU 15 6.908 0.440 -1.358 130 HA GLU 15 HA GLU 15 6.333 -1.923 -2.973 131 1HB GLU 15 2HB GLU 15 9.049 -1.327 -1.778 132 2HB GLU 15 1HB GLU 15 8.580 -2.855 -2.514 133 1HG GLU 15 2HG GLU 15 8.239 -1.716 -4.651 134 2HG GLU 15 1HG GLU 15 8.726 -0.192 -3.912 135 H THR 16 H THR 16 5.611 -3.581 -1.803 136 HA THR 16 HA THR 16 6.010 -3.552 1.098 137 HB THR 16 HB THR 16 3.869 -2.677 1.047 138 HG1 THR 16 1HG THR 16 3.327 -5.430 0.890 139 1HG2 THR 16 1HG2 THR 16 3.374 -4.357 -1.376 140 2HG2 THR 16 2HG2 THR 16 3.267 -2.606 -1.205 141 3HG2 THR 16 3HG2 THR 16 2.057 -3.643 -0.448 142 H THR 17 H THR 17 5.301 -5.700 2.105 143 HA THR 17 HA THR 17 5.621 -7.943 0.261 144 HB THR 17 HB THR 17 7.341 -8.950 1.770 145 HG1 THR 17 1HG THR 17 7.657 -7.972 3.578 146 1HG2 THR 17 1HG2 THR 17 8.254 -8.052 -0.184 147 2HG2 THR 17 2HG2 THR 17 9.212 -7.360 1.127 148 3HG2 THR 17 3HG2 THR 17 7.964 -6.393 0.340 149 H THR 18 H THR 18 4.115 -9.384 0.646 150 HA THR 18 HA THR 18 3.041 -9.700 3.384 151 HB THR 18 HB THR 18 1.421 -9.009 1.606 152 HG1 THR 18 1HG THR 18 0.776 -10.264 3.426 153 1HG2 THR 18 1HG2 THR 18 0.630 -10.785 0.050 154 2HG2 THR 18 2HG2 THR 18 2.098 -11.687 0.428 155 3HG2 THR 18 3HG2 THR 18 2.208 -10.107 -0.348 156 H GLU 19 H GLU 19 2.905 -11.771 4.266 157 HA GLU 19 HA GLU 19 4.518 -13.822 2.898 158 1HB GLU 19 2HB GLU 19 5.374 -13.152 5.077 159 2HB GLU 19 1HB GLU 19 3.816 -13.476 5.821 160 1HG GLU 19 2HG GLU 19 5.378 -15.251 6.309 161 2HG GLU 19 1HG GLU 19 4.060 -15.850 5.304 162 H ALA 20 H ALA 20 3.371 -15.400 1.914 163 HA ALA 20 HA ALA 20 1.094 -16.553 3.312 164 1HB ALA 20 1HB ALA 20 0.533 -14.620 1.539 165 2HB ALA 20 2HB ALA 20 -0.528 -15.993 1.850 166 3HB ALA 20 3HB ALA 20 0.560 -16.016 0.462 167 H VAL 21 H VAL 21 0.511 -18.601 2.626 168 HA VAL 21 HA VAL 21 2.510 -20.372 1.997 169 HB VAL 21 HB VAL 21 -0.395 -20.804 1.301 170 1HG1 VAL 21 1HG1 VAL 21 1.661 -22.819 2.177 171 2HG1 VAL 21 2HG1 VAL 21 1.293 -22.475 0.487 172 3HG1 VAL 21 3HG1 VAL 21 0.043 -23.126 1.548 173 1HG2 VAL 21 1HG2 VAL 21 -0.533 -20.136 3.509 174 2HG2 VAL 21 2HG2 VAL 21 1.042 -20.816 3.923 175 3HG2 VAL 21 3HG2 VAL 21 -0.340 -21.883 3.663 176 H ASP 22 H ASP 22 0.620 -18.471 -0.213 177 HA ASP 22 HA ASP 22 2.348 -19.263 -2.383 178 1HB ASP 22 2HB ASP 22 0.616 -20.054 -3.896 179 2HB ASP 22 1HB ASP 22 0.655 -21.053 -2.448 180 H ALA 23 H ALA 23 1.531 -18.159 -4.514 181 HA ALA 23 HA ALA 23 1.572 -15.403 -4.065 182 1HB ALA 23 1HB ALA 23 0.674 -15.495 -6.589 183 2HB ALA 23 2HB ALA 23 1.234 -17.159 -6.415 184 3HB ALA 23 3HB ALA 23 2.351 -15.818 -6.148 185 H ALA 24 H ALA 24 -1.122 -17.558 -4.829 186 HA ALA 24 HA ALA 24 -3.079 -15.543 -5.103 187 1HB ALA 24 1HB ALA 24 -3.357 -17.910 -5.841 188 2HB ALA 24 2HB ALA 24 -4.710 -17.301 -4.889 189 3HB ALA 24 3HB ALA 24 -3.522 -18.374 -4.148 190 H THR 25 H THR 25 -2.300 -17.644 -2.319 191 HA THR 25 HA THR 25 -4.022 -16.539 -0.470 192 HB THR 25 HB THR 25 -2.350 -17.286 1.231 193 HG1 THR 25 1HG THR 25 -0.774 -17.498 -1.059 194 1HG2 THR 25 1HG2 THR 25 -2.079 -19.698 0.092 195 2HG2 THR 25 2HG2 THR 25 -3.388 -19.032 -0.885 196 3HG2 THR 25 3HG2 THR 25 -3.561 -19.135 0.867 197 H ALA 26 H ALA 26 -0.735 -15.543 -1.371 198 HA ALA 26 HA ALA 26 -0.512 -13.380 0.412 199 1HB ALA 26 1HB ALA 26 0.853 -12.705 -1.973 200 2HB ALA 26 2HB ALA 26 0.987 -14.453 -1.777 201 3HB ALA 26 3HB ALA 26 1.527 -13.376 -0.488 202 H GLU 27 H GLU 27 -1.529 -13.493 -3.008 203 HA GLU 27 HA GLU 27 -2.194 -10.855 -3.396 204 1HB GLU 27 2HB GLU 27 -2.190 -12.508 -5.182 205 2HB GLU 27 1HB GLU 27 -3.558 -13.333 -4.452 206 1HG GLU 27 2HG GLU 27 -4.281 -12.036 -6.341 207 2HG GLU 27 1HG GLU 27 -4.947 -11.362 -4.856 208 H LYS 28 H LYS 28 -4.225 -13.470 -2.117 209 HA LYS 28 HA LYS 28 -6.541 -11.913 -1.718 210 1HB LYS 28 2HB LYS 28 -5.643 -14.430 -0.303 211 2HB LYS 28 1HB LYS 28 -7.262 -13.750 -0.228 212 1HG LYS 28 2HG LYS 28 -5.877 -14.866 -2.653 213 2HG LYS 28 1HG LYS 28 -7.254 -15.558 -1.793 214 1HD LYS 28 2HD LYS 28 -8.609 -13.621 -2.402 215 2HD LYS 28 1HD LYS 28 -7.232 -12.917 -3.250 216 1HE LYS 28 2HE LYS 28 -8.599 -15.520 -3.933 217 2HE LYS 28 1HE LYS 28 -8.773 -13.998 -4.807 218 1HZ LYS 28 1HZ LYS 28 -7.202 -15.477 -5.895 219 2HZ LYS 28 2HZ LYS 28 -6.246 -15.528 -4.500 220 3HZ LYS 28 3HZ LYS 28 -6.423 -14.077 -5.349 221 H VAL 29 H VAL 29 -3.886 -12.825 0.450 222 HA VAL 29 HA VAL 29 -4.860 -11.607 2.768 223 HB VAL 29 HB VAL 29 -1.974 -11.943 1.925 224 1HG1 VAL 29 1HG1 VAL 29 -1.334 -11.108 3.887 225 2HG1 VAL 29 2HG1 VAL 29 -2.527 -12.066 4.765 226 3HG1 VAL 29 3HG1 VAL 29 -2.981 -10.509 4.074 227 1HG2 VAL 29 1HG2 VAL 29 -3.067 -13.773 3.920 228 2HG2 VAL 29 2HG2 VAL 29 -2.082 -14.104 2.495 229 3HG2 VAL 29 3HG2 VAL 29 -3.829 -13.919 2.337 230 H VAL 30 H VAL 30 -2.941 -10.317 0.101 231 HA VAL 30 HA VAL 30 -2.451 -7.768 1.213 232 HB VAL 30 HB VAL 30 -2.846 -8.359 -1.726 233 1HG1 VAL 30 1HG1 VAL 30 -2.644 -5.965 -0.794 234 2HG1 VAL 30 2HG1 VAL 30 -1.613 -6.424 -2.149 235 3HG1 VAL 30 3HG1 VAL 30 -0.952 -6.376 -0.517 236 1HG2 VAL 30 1HG2 VAL 30 -0.099 -8.350 -1.060 237 2HG2 VAL 30 2HG2 VAL 30 -1.066 -9.688 -1.682 238 3HG2 VAL 30 3HG2 VAL 30 -0.903 -9.452 0.058 239 H LYS 31 H LYS 31 -5.100 -9.041 -0.826 240 HA LYS 31 HA LYS 31 -6.560 -6.777 -1.297 241 1HB LYS 31 2HB LYS 31 -7.738 -9.426 -0.444 242 2HB LYS 31 1HB LYS 31 -8.574 -8.159 -1.327 243 1HG LYS 31 2HG LYS 31 -6.474 -10.051 -2.275 244 2HG LYS 31 1HG LYS 31 -8.048 -9.681 -2.973 245 1HD LYS 31 2HD LYS 31 -7.147 -7.365 -3.446 246 2HD LYS 31 1HD LYS 31 -5.559 -7.998 -3.009 247 1HE LYS 31 2HE LYS 31 -5.905 -8.038 -5.430 248 2HE LYS 31 1HE LYS 31 -5.712 -9.660 -4.772 249 1HZ LYS 31 1HZ LYS 31 -7.592 -9.178 -6.457 250 2HZ LYS 31 2HZ LYS 31 -8.409 -8.543 -5.117 251 3HZ LYS 31 3HZ LYS 31 -7.915 -10.160 -5.116 252 H GLN 32 H GLN 32 -6.705 -8.826 1.565 253 HA GLN 32 HA GLN 32 -8.577 -7.308 3.007 254 1HB GLN 32 2HB GLN 32 -8.159 -9.487 3.794 255 2HB GLN 32 1HB GLN 32 -6.426 -9.244 3.849 256 1HG GLN 32 2HG GLN 32 -8.300 -7.727 5.631 257 2HG GLN 32 1HG GLN 32 -7.715 -9.332 6.050 258 1HE2 GLN 32 1HE2 GLN 32 -5.169 -8.146 4.436 259 2HE2 GLN 32 2HE2 GLN 32 -4.319 -7.376 5.721 260 H PHE 33 H PHE 33 -5.112 -7.026 2.638 261 HA PHE 33 HA PHE 33 -4.490 -5.209 4.639 262 1HB PHE 33 2HB PHE 33 -2.897 -6.404 3.087 263 2HB PHE 33 1HB PHE 33 -3.327 -5.236 1.844 264 HD1 PHE 33 1HD PHE 33 -1.843 -5.576 5.205 265 HD2 PHE 33 2HD PHE 33 -2.245 -3.157 1.715 266 HE1 PHE 33 1HE PHE 33 -0.088 -4.070 6.034 267 HE2 PHE 33 2HE PHE 33 -0.491 -1.652 2.559 268 HZ PHE 33 HZ PHE 33 0.583 -2.117 4.726 269 H PHE 34 H PHE 34 -5.120 -4.427 1.245 270 HA PHE 34 HA PHE 34 -5.484 -1.633 1.735 271 1HB PHE 34 2HB PHE 34 -6.181 -3.292 -0.690 272 2HB PHE 34 1HB PHE 34 -6.180 -1.526 -0.628 273 HD1 PHE 34 1HD PHE 34 -3.853 -0.836 0.841 274 HD2 PHE 34 2HD PHE 34 -4.383 -3.982 -1.965 275 HE1 PHE 34 1HE PHE 34 -1.440 -0.833 0.395 276 HE2 PHE 34 2HE PHE 34 -1.966 -3.981 -2.429 277 HZ PHE 34 HZ PHE 34 -0.499 -2.403 -1.232 278 H ASN 35 H ASN 35 -7.663 -4.356 1.314 279 HA ASN 35 HA ASN 35 -10.107 -3.092 1.120 280 1HB ASN 35 2HB ASN 35 -9.788 -5.537 1.025 281 2HB ASN 35 1HB ASN 35 -9.426 -5.552 2.749 282 1HD2 ASN 35 1HD2 ASN 35 -11.654 -6.450 0.745 283 2HD2 ASN 35 2HD2 ASN 35 -13.095 -6.135 1.642 284 H ASP 36 H ASP 36 -8.104 -3.688 3.909 285 HA ASP 36 HA ASP 36 -9.996 -2.370 5.697 286 1HB ASP 36 2HB ASP 36 -7.416 -3.834 6.274 287 2HB ASP 36 1HB ASP 36 -8.439 -3.096 7.505 288 H ASN 37 H ASN 37 -7.019 -1.649 4.042 289 HA ASN 37 HA ASN 37 -6.344 0.529 5.831 290 1HB ASN 37 2HB ASN 37 -5.220 -0.241 3.128 291 2HB ASN 37 1HB ASN 37 -4.617 1.091 4.108 292 1HD2 ASN 37 1HD2 ASN 37 -3.519 -1.579 3.144 293 2HD2 ASN 37 2HD2 ASN 37 -2.839 -2.274 4.573 294 H GLY 38 H GLY 38 -7.586 0.144 2.554 295 1HA GLY 38 2HA GLY 38 -7.962 2.195 1.198 296 2HA GLY 38 1HA GLY 38 -9.441 1.478 1.795 297 H VAL 39 H VAL 39 -10.820 2.808 2.673 298 HA VAL 39 HA VAL 39 -9.878 5.461 3.531 299 HB VAL 39 HB VAL 39 -12.653 4.631 2.760 300 1HG1 VAL 39 1HG1 VAL 39 -11.368 7.223 3.460 301 2HG1 VAL 39 2HG1 VAL 39 -12.965 6.605 3.881 302 3HG1 VAL 39 3HG1 VAL 39 -12.657 7.218 2.258 303 1HG2 VAL 39 1HG2 VAL 39 -10.680 6.085 1.012 304 2HG2 VAL 39 2HG2 VAL 39 -12.266 5.456 0.565 305 3HG2 VAL 39 3HG2 VAL 39 -10.949 4.344 0.934 306 H ASP 40 H ASP 40 -10.684 2.690 5.130 307 HA ASP 40 HA ASP 40 -11.983 4.232 7.269 308 1HB ASP 40 2HB ASP 40 -12.502 1.349 6.519 309 2HB ASP 40 1HB ASP 40 -13.186 2.173 7.918 310 H GLY 41 H GLY 41 -9.112 3.132 6.552 311 1HA GLY 41 2HA GLY 41 -8.561 1.443 8.835 312 2HA GLY 41 1HA GLY 41 -7.391 2.035 7.667 313 H GLU 42 H GLU 42 -6.510 2.019 10.129 314 HA GLU 42 HA GLU 42 -6.946 4.676 11.300 315 1HB GLU 42 2HB GLU 42 -5.460 2.288 12.420 316 2HB GLU 42 1HB GLU 42 -5.733 3.808 13.260 317 1HG GLU 42 2HG GLU 42 -7.317 2.308 14.116 318 2HG GLU 42 1HG GLU 42 -8.203 3.357 13.013 319 H TRP 43 H TRP 43 -5.701 6.119 10.228 320 HA TRP 43 HA TRP 43 -2.978 5.388 9.485 321 1HB TRP 43 2HB TRP 43 -4.606 7.849 8.851 322 2HB TRP 43 1HB TRP 43 -3.001 7.500 8.219 323 HD1 TRP 43 HD TRP 43 -6.056 5.100 8.374 324 HE1 TRP 43 1HE TRP 43 -6.537 4.305 5.970 325 HE3 TRP 43 3HE TRP 43 -2.563 7.876 5.894 326 HZ2 TRP 43 2HZ TRP 43 -5.560 4.799 3.370 327 HZ3 TRP 43 3HZ TRP 43 -2.399 7.666 3.455 328 HH2 TRP 43 HH TRP 43 -3.869 6.154 2.216 329 H THR 44 H THR 44 -1.336 5.838 10.780 330 HA THR 44 HA THR 44 -1.573 8.072 12.672 331 HB THR 44 HB THR 44 0.395 7.009 13.798 332 HG1 THR 44 1HG THR 44 1.059 5.857 11.854 333 1HG2 THR 44 1HG2 THR 44 -2.010 5.240 13.444 334 2HG2 THR 44 2HG2 THR 44 -1.766 6.470 14.684 335 3HG2 THR 44 3HG2 THR 44 -0.764 5.020 14.674 336 H TYR 45 H TYR 45 -0.276 9.828 12.485 337 HA TYR 45 HA TYR 45 1.576 9.863 10.205 338 1HB TYR 45 2HB TYR 45 -0.253 11.482 10.114 339 2HB TYR 45 1HB TYR 45 0.224 12.133 11.678 340 HD1 TYR 45 1HD TYR 45 2.563 11.192 8.967 341 HD2 TYR 45 2HD TYR 45 0.626 14.370 11.025 342 HE1 TYR 45 1HE TYR 45 4.032 12.808 7.839 343 HE2 TYR 45 2HE TYR 45 2.086 15.996 9.901 344 HH TYR 45 HH TYR 45 4.070 16.188 8.719 345 H ASP 46 H ASP 46 3.696 10.457 10.401 346 HA ASP 46 HA ASP 46 4.659 11.062 13.121 347 1HB ASP 46 2HB ASP 46 5.256 8.764 12.488 348 2HB ASP 46 1HB ASP 46 6.029 9.362 11.023 349 H ASP 47 H ASP 47 4.491 13.292 12.518 350 HA ASP 47 HA ASP 47 5.599 14.568 10.358 351 1HB ASP 47 2HB ASP 47 5.566 15.560 13.214 352 2HB ASP 47 1HB ASP 47 5.787 16.568 11.788 353 H ALA 48 H ALA 48 7.243 13.420 13.248 354 HA ALA 48 HA ALA 48 9.669 14.680 13.074 355 1HB ALA 48 1HB ALA 48 9.054 13.208 14.909 356 2HB ALA 48 2HB ALA 48 10.621 12.757 14.239 357 3HB ALA 48 3HB ALA 48 9.189 11.808 13.846 358 H THR 49 H THR 49 8.490 12.052 11.062 359 HA THR 49 HA THR 49 10.980 12.254 9.501 360 HB THR 49 HB THR 49 10.782 9.847 8.979 361 HG1 THR 49 1HG THR 49 9.061 8.808 9.521 362 1HG2 THR 49 1HG2 THR 49 12.177 9.516 10.653 363 2HG2 THR 49 2HG2 THR 49 10.803 9.347 11.746 364 3HG2 THR 49 3HG2 THR 49 11.541 10.928 11.497 365 H LYS 50 H LYS 50 7.986 13.215 9.333 366 HA LYS 50 HA LYS 50 6.453 13.604 7.667 367 1HB LYS 50 2HB LYS 50 8.847 13.049 5.902 368 2HB LYS 50 1HB LYS 50 7.371 13.856 5.396 369 1HG LYS 50 2HG LYS 50 8.884 14.996 7.684 370 2HG LYS 50 1HG LYS 50 9.532 15.201 6.057 371 1HD LYS 50 2HD LYS 50 8.170 17.109 6.606 372 2HD LYS 50 1HD LYS 50 7.359 16.160 5.363 373 1HE LYS 50 2HE LYS 50 5.840 16.975 7.130 374 2HE LYS 50 1HE LYS 50 5.859 15.223 6.971 375 1HZ LYS 50 1HZ LYS 50 7.569 16.599 8.948 376 2HZ LYS 50 2HZ LYS 50 7.059 14.986 8.937 377 3HZ LYS 50 3HZ LYS 50 5.959 16.218 9.304 378 H THR 51 H THR 51 6.751 10.883 8.668 379 HA THR 51 HA THR 51 6.016 9.319 6.288 380 HB THR 51 HB THR 51 7.122 8.468 8.966 381 HG1 THR 51 1HG THR 51 8.533 9.335 7.265 382 1HG2 THR 51 1HG2 THR 51 5.967 6.571 8.589 383 2HG2 THR 51 2HG2 THR 51 7.344 6.239 7.540 384 3HG2 THR 51 3HG2 THR 51 5.843 6.853 6.854 385 H PHE 52 H PHE 52 4.237 7.823 6.450 386 HA PHE 52 HA PHE 52 2.373 8.434 8.647 387 1HB PHE 52 2HB PHE 52 1.562 8.033 5.773 388 2HB PHE 52 1HB PHE 52 0.508 8.412 7.127 389 HD1 PHE 52 1HD PHE 52 -0.170 10.587 7.362 390 HD2 PHE 52 2HD PHE 52 3.543 9.784 5.443 391 HE1 PHE 52 1HE PHE 52 0.101 12.986 6.893 392 HE2 PHE 52 2HE PHE 52 3.822 12.181 4.973 393 HZ PHE 52 HZ PHE 52 2.099 13.785 5.696 394 H THR 53 H THR 53 2.725 6.588 9.716 395 HA THR 53 HA THR 53 2.681 4.002 8.487 396 HB THR 53 HB THR 53 2.331 3.241 10.959 397 HG1 THR 53 1HG THR 53 2.616 4.717 12.463 398 1HG2 THR 53 1HG2 THR 53 4.766 4.383 9.723 399 2HG2 THR 53 2HG2 THR 53 4.408 2.729 10.228 400 3HG2 THR 53 3HG2 THR 53 4.804 3.956 11.435 401 H VAL 54 H VAL 54 1.056 2.743 7.986 402 HA VAL 54 HA VAL 54 -1.623 3.448 8.992 403 HB VAL 54 HB VAL 54 -0.932 2.219 6.313 404 1HG1 VAL 54 1HG1 VAL 54 -3.048 1.395 6.862 405 2HG1 VAL 54 2HG1 VAL 54 -3.389 2.823 5.885 406 3HG1 VAL 54 3HG1 VAL 54 -3.534 2.901 7.641 407 1HG2 VAL 54 1HG2 VAL 54 -0.382 4.366 5.869 408 2HG2 VAL 54 2HG2 VAL 54 -1.331 5.003 7.214 409 3HG2 VAL 54 3HG2 VAL 54 -2.129 4.545 5.709 410 H THR 55 H THR 55 -2.465 1.973 10.287 411 HA THR 55 HA THR 55 -1.503 -0.792 10.104 412 HB THR 55 HB THR 55 -3.045 0.503 12.357 413 HG1 THR 55 1HG THR 55 -0.882 1.346 11.985 414 1HG2 THR 55 1HG2 THR 55 -3.263 -1.902 12.390 415 2HG2 THR 55 2HG2 THR 55 -2.203 -1.369 13.695 416 3HG2 THR 55 3HG2 THR 55 -1.514 -2.085 12.236 417 H GLU 56 H GLU 56 -2.756 -2.117 8.940 418 HA GLU 56 HA GLU 56 -5.253 -1.550 7.959 419 1HB GLU 56 2HB GLU 56 -5.465 -3.859 7.377 420 2HB GLU 56 1HB GLU 56 -3.767 -3.425 7.233 421 1HG GLU 56 2HG GLU 56 -3.853 -5.556 8.231 422 2HG GLU 56 1HG GLU 56 -3.421 -4.419 9.507 423 1H MET 1 1HT MET 1 6.108 18.776 -2.304 424 2H MET 1 2HT MET 1 5.851 19.601 -0.849 425 3H MET 1 3HT MET 1 5.020 18.162 -1.162 426 HA MET 1 HA MET 1 7.964 18.196 -1.085 427 1HB MET 1 2HB MET 1 6.774 19.224 1.000 428 2HB MET 1 1HB MET 1 6.280 17.570 1.329 429 1HG MET 1 2HG MET 1 8.865 17.121 1.012 430 2HG MET 1 1HG MET 1 8.965 18.817 1.466 431 1HE MET 1 1HE MET 1 7.832 19.611 4.224 432 2HE MET 1 2HE MET 1 6.599 18.454 4.727 433 3HE MET 1 3HE MET 1 6.537 19.166 3.113 434 H GLN 2 H GLN 2 8.731 16.025 -0.396 435 HA GLN 2 HA GLN 2 6.981 13.939 -1.465 436 1HB GLN 2 2HB GLN 2 9.228 14.104 -2.448 437 2HB GLN 2 1HB GLN 2 9.947 13.899 -0.856 438 1HG GLN 2 2HG GLN 2 8.994 11.657 -0.710 439 2HG GLN 2 1HG GLN 2 8.261 11.864 -2.298 440 1HE2 GLN 2 1HE2 GLN 2 11.159 13.422 -2.452 441 2HE2 GLN 2 2HE2 GLN 2 12.137 12.142 -3.068 442 H TYR 3 H TYR 3 6.228 12.292 -0.203 443 HA TYR 3 HA TYR 3 7.165 12.222 2.588 444 1HB TYR 3 2HB TYR 3 4.309 11.957 1.629 445 2HB TYR 3 1HB TYR 3 4.846 11.743 3.292 446 HD1 TYR 3 1HD TYR 3 5.186 13.605 4.717 447 HD2 TYR 3 2HD TYR 3 4.502 14.216 0.562 448 HE1 TYR 3 1HE TYR 3 4.904 16.014 5.124 449 HE2 TYR 3 2HE TYR 3 4.219 16.627 0.957 450 HH TYR 3 HH TYR 3 3.866 17.949 4.084 451 H LYS 4 H LYS 4 7.257 10.232 3.584 452 HA LYS 4 HA LYS 4 7.007 7.925 1.773 453 1HB LYS 4 2HB LYS 4 9.293 8.313 2.548 454 2HB LYS 4 1HB LYS 4 8.750 8.288 4.219 455 1HG LYS 4 2HG LYS 4 8.099 5.946 3.978 456 2HG LYS 4 1HG LYS 4 8.638 5.971 2.298 457 1HD LYS 4 2HD LYS 4 10.387 6.485 4.704 458 2HD LYS 4 1HD LYS 4 10.309 4.969 3.804 459 1HE LYS 4 2HE LYS 4 11.157 7.643 2.695 460 2HE LYS 4 1HE LYS 4 12.236 6.319 3.131 461 1HZ LYS 4 1HZ LYS 4 10.150 6.229 1.018 462 2HZ LYS 4 2HZ LYS 4 11.173 4.951 1.441 463 3HZ LYS 4 3HZ LYS 4 11.817 6.357 0.757 464 H VAL 5 H VAL 5 5.119 6.942 2.125 465 HA VAL 5 HA VAL 5 4.028 6.845 4.826 466 HB VAL 5 HB VAL 5 2.790 5.939 2.225 467 1HG1 VAL 5 1HG1 VAL 5 0.963 5.264 3.346 468 2HG1 VAL 5 2HG1 VAL 5 1.071 6.580 4.516 469 3HG1 VAL 5 3HG1 VAL 5 2.065 5.139 4.717 470 1HG2 VAL 5 1HG2 VAL 5 2.714 8.166 1.878 471 2HG2 VAL 5 2HG2 VAL 5 2.926 8.548 3.588 472 3HG2 VAL 5 3HG2 VAL 5 1.340 8.076 2.980 473 H ILE 6 H ILE 6 3.917 5.067 6.033 474 HA ILE 6 HA ILE 6 5.055 2.596 4.914 475 HB ILE 6 HB ILE 6 4.819 3.383 7.824 476 1HG1 ILE 6 2HG1 ILE 6 7.247 3.321 6.019 477 2HG1 ILE 6 1HG1 ILE 6 6.422 4.781 6.549 478 1HG2 ILE 6 1HG2 ILE 6 4.879 0.887 7.020 479 2HG2 ILE 6 2HG2 ILE 6 5.861 1.412 8.388 480 3HG2 ILE 6 3HG2 ILE 6 6.596 1.221 6.796 481 1HD1 ILE 6 1HD1 ILE 6 8.471 4.299 7.822 482 2HD1 ILE 6 2HD1 ILE 6 7.740 2.794 8.381 483 3HD1 ILE 6 3HD1 ILE 6 7.029 4.343 8.835 484 H LEU 7 H LEU 7 3.824 0.850 4.721 485 HA LEU 7 HA LEU 7 1.099 0.967 5.814 486 1HB LEU 7 2HB LEU 7 2.023 -0.917 3.665 487 2HB LEU 7 1HB LEU 7 0.399 -0.339 3.995 488 HG LEU 7 HG LEU 7 2.655 1.258 2.796 489 1HD1 LEU 7 1HD1 LEU 7 1.579 -0.387 1.303 490 2HD1 LEU 7 2HD1 LEU 7 1.308 1.281 0.802 491 3HD1 LEU 7 3HD1 LEU 7 0.024 0.385 1.616 492 1HD2 LEU 7 1HD2 LEU 7 -0.174 2.123 3.378 493 2HD2 LEU 7 2HD2 LEU 7 1.101 3.092 2.636 494 3HD2 LEU 7 3HD2 LEU 7 1.241 2.591 4.321 495 H ASN 8 H ASN 8 1.413 0.106 7.865 496 HA ASN 8 HA ASN 8 2.663 -2.530 8.071 497 1HB ASN 8 2HB ASN 8 1.792 -0.567 10.201 498 2HB ASN 8 1HB ASN 8 2.536 -2.130 10.526 499 1HD2 ASN 8 1HD2 ASN 8 4.611 -2.046 10.921 500 2HD2 ASN 8 2HD2 ASN 8 5.722 -0.872 10.314 501 H GLY 9 H GLY 9 1.247 -4.136 7.610 502 1HA GLY 9 2HA GLY 9 -1.453 -3.941 8.784 503 2HA GLY 9 1HA GLY 9 -1.052 -4.883 7.357 504 H LYS 10 H LYS 10 -2.288 -6.480 8.717 505 HA LYS 10 HA LYS 10 -1.089 -7.577 11.027 506 1HB LYS 10 2HB LYS 10 -3.156 -8.653 9.115 507 2HB LYS 10 1HB LYS 10 -2.635 -9.533 10.545 508 1HG LYS 10 2HG LYS 10 -3.801 -6.766 10.616 509 2HG LYS 10 1HG LYS 10 -4.746 -8.243 10.821 510 1HD LYS 10 2HD LYS 10 -3.327 -8.839 12.751 511 2HD LYS 10 1HD LYS 10 -2.459 -7.314 12.559 512 1HE LYS 10 2HE LYS 10 -4.514 -6.076 12.963 513 2HE LYS 10 1HE LYS 10 -5.413 -7.585 13.102 514 1HZ LYS 10 1HZ LYS 10 -3.858 -6.226 15.065 515 2HZ LYS 10 2HZ LYS 10 -3.353 -7.831 14.891 516 3HZ LYS 10 3HZ LYS 10 -4.968 -7.488 15.259 517 H THR 11 H THR 11 -1.240 -8.768 7.663 518 HA THR 11 HA THR 11 1.119 -10.431 8.222 519 HB THR 11 HB THR 11 0.167 -11.844 6.324 520 HG1 THR 11 1HG THR 11 -2.193 -10.437 6.987 521 1HG2 THR 11 1HG2 THR 11 -0.695 -11.745 9.085 522 2HG2 THR 11 2HG2 THR 11 -0.300 -13.135 8.072 523 3HG2 THR 11 3HG2 THR 11 -1.919 -12.432 8.019 524 H LEU 12 H LEU 12 0.632 -7.622 7.028 525 HA LEU 12 HA LEU 12 2.410 -8.031 4.752 526 1HB LEU 12 2HB LEU 12 0.195 -7.931 3.794 527 2HB LEU 12 1HB LEU 12 -0.159 -6.467 4.681 528 HG LEU 12 HG LEU 12 1.403 -5.215 3.352 529 1HD1 LEU 12 1HD1 LEU 12 2.414 -7.855 2.763 530 2HD1 LEU 12 2HD1 LEU 12 3.203 -6.290 2.616 531 3HD1 LEU 12 3HD1 LEU 12 2.192 -6.896 1.303 532 1HD2 LEU 12 1HD2 LEU 12 -0.101 -4.951 1.740 533 2HD2 LEU 12 2HD2 LEU 12 -0.934 -6.369 2.381 534 3HD2 LEU 12 3HD2 LEU 12 0.240 -6.551 1.078 535 H LYS 13 H LYS 13 3.891 -6.443 4.444 536 HA LYS 13 HA LYS 13 3.680 -3.957 5.952 537 1HB LYS 13 2HB LYS 13 6.132 -5.708 6.184 538 2HB LYS 13 1HB LYS 13 5.843 -4.177 6.996 539 1HG LYS 13 2HG LYS 13 5.387 -5.644 8.682 540 2HG LYS 13 1HG LYS 13 3.779 -5.445 7.986 541 1HD LYS 13 2HD LYS 13 4.113 -7.498 6.673 542 2HD LYS 13 1HD LYS 13 5.699 -7.699 7.412 543 1HE LYS 13 2HE LYS 13 4.653 -7.869 9.613 544 2HE LYS 13 1HE LYS 13 3.064 -7.657 8.878 545 1HZ LYS 13 1HZ LYS 13 4.924 -9.902 8.309 546 2HZ LYS 13 2HZ LYS 13 3.372 -9.708 7.666 547 3HZ LYS 13 3HZ LYS 13 3.571 -9.989 9.322 548 H GLY 14 H GLY 14 4.942 -2.260 5.087 549 1HA GLY 14 2HA GLY 14 6.891 -2.661 3.071 550 2HA GLY 14 1HA GLY 14 5.339 -2.317 2.329 551 H GLU 15 H GLU 15 6.877 -0.556 1.545 552 HA GLU 15 HA GLU 15 6.336 1.820 3.151 553 1HB GLU 15 2HB GLU 15 9.051 1.160 1.995 554 2HB GLU 15 1HB GLU 15 8.611 2.698 2.724 555 1HG GLU 15 2HG GLU 15 8.211 1.569 4.857 556 2HG GLU 15 1HG GLU 15 8.671 0.033 4.124 557 H THR 16 H THR 16 5.670 3.496 1.973 558 HA THR 16 HA THR 16 6.108 3.457 -0.923 559 HB THR 16 HB THR 16 3.948 2.634 -0.902 560 HG1 THR 16 1HG THR 16 3.471 5.399 -0.752 561 1HG2 THR 16 1HG2 THR 16 3.458 4.325 1.515 562 2HG2 THR 16 2HG2 THR 16 3.312 2.578 1.339 563 3HG2 THR 16 3HG2 THR 16 2.139 3.645 0.567 564 H THR 17 H THR 17 5.466 5.623 -1.940 565 HA THR 17 HA THR 17 5.816 7.856 -0.090 566 HB THR 17 HB THR 17 7.581 8.821 -1.575 567 HG1 THR 17 1HG THR 17 7.899 7.835 -3.379 568 1HG2 THR 17 1HG2 THR 17 8.444 7.902 0.391 569 2HG2 THR 17 2HG2 THR 17 9.403 7.186 -0.904 570 3HG2 THR 17 3HG2 THR 17 8.120 6.250 -0.137 571 H THR 18 H THR 18 4.351 9.332 -0.496 572 HA THR 18 HA THR 18 3.323 9.675 -3.249 573 HB THR 18 HB THR 18 1.662 9.024 -1.493 574 HG1 THR 18 1HG THR 18 1.073 10.294 -3.324 575 1HG2 THR 18 1HG2 THR 18 0.893 10.820 0.050 576 2HG2 THR 18 2HG2 THR 18 2.387 11.685 -0.307 577 3HG2 THR 18 3HG2 THR 18 2.449 10.104 0.470 578 H GLU 19 H GLU 19 3.248 11.749 -4.132 579 HA GLU 19 HA GLU 19 4.892 13.761 -2.741 580 1HB GLU 19 2HB GLU 19 5.763 13.070 -4.908 581 2HB GLU 19 1HB GLU 19 4.224 13.431 -5.674 582 1HG GLU 19 2HG GLU 19 5.835 15.169 -6.139 583 2HG GLU 19 1HG GLU 19 4.517 15.800 -5.151 584 H ALA 20 H ALA 20 3.771 15.365 -1.774 585 HA ALA 20 HA ALA 20 1.541 16.572 -3.203 586 1HB ALA 20 1HB ALA 20 0.911 14.655 -1.439 587 2HB ALA 20 2HB ALA 20 -0.114 16.052 -1.764 588 3HB ALA 20 3HB ALA 20 0.956 16.050 -0.362 589 H VAL 21 H VAL 21 0.999 18.635 -2.525 590 HA VAL 21 HA VAL 21 3.032 20.357 -1.869 591 HB VAL 21 HB VAL 21 0.129 20.858 -1.213 592 1HG1 VAL 21 1HG1 VAL 21 2.246 22.825 -2.059 593 2HG1 VAL 21 2HG1 VAL 21 1.845 22.490 -0.374 594 3HG1 VAL 21 3HG1 VAL 21 0.626 23.169 -1.452 595 1HG2 VAL 21 1HG2 VAL 21 0.005 20.196 -3.422 596 2HG2 VAL 21 2HG2 VAL 21 1.601 20.838 -3.814 597 3HG2 VAL 21 3HG2 VAL 21 0.242 21.937 -3.573 598 H ASP 22 H ASP 22 1.064 18.504 0.315 599 HA ASP 22 HA ASP 22 2.781 19.253 2.509 600 1HB ASP 22 2HB ASP 22 1.048 20.087 3.998 601 2HB ASP 22 1HB ASP 22 1.131 21.083 2.549 602 H ALA 23 H ALA 23 1.908 18.170 4.628 603 HA ALA 23 HA ALA 23 1.887 15.414 4.179 604 1HB ALA 23 1HB ALA 23 0.957 15.528 6.689 605 2HB ALA 23 2HB ALA 23 1.560 17.176 6.525 606 3HB ALA 23 3HB ALA 23 2.647 15.810 6.274 607 H ALA 24 H ALA 24 -0.764 17.633 4.906 608 HA ALA 24 HA ALA 24 -2.772 15.666 5.151 609 1HB ALA 24 1HB ALA 24 -3.004 18.039 5.886 610 2HB ALA 24 2HB ALA 24 -4.357 17.463 4.914 611 3HB ALA 24 3HB ALA 24 -3.134 18.507 4.191 612 H THR 25 H THR 25 -1.904 17.748 2.379 613 HA THR 25 HA THR 25 -3.626 16.684 0.505 614 HB THR 25 HB THR 25 -1.913 17.389 -1.171 615 HG1 THR 25 1HG THR 25 -0.364 17.565 1.141 616 1HG2 THR 25 1HG2 THR 25 -1.599 19.795 -0.029 617 2HG2 THR 25 2HG2 THR 25 -2.938 19.161 0.930 618 3HG2 THR 25 3HG2 THR 25 -3.082 19.269 -0.824 619 H ALA 26 H ALA 26 -0.377 15.610 1.452 620 HA ALA 26 HA ALA 26 -0.180 13.442 -0.327 621 1HB ALA 26 1HB ALA 26 1.134 12.735 2.077 622 2HB ALA 26 2HB ALA 26 1.312 14.477 1.882 623 3HB ALA 26 3HB ALA 26 1.844 13.388 0.601 624 H GLU 27 H GLU 27 -1.242 13.579 3.078 625 HA GLU 27 HA GLU 27 -1.977 10.958 3.455 626 1HB GLU 27 2HB GLU 27 -1.957 12.611 5.242 627 2HB GLU 27 1HB GLU 27 -3.296 13.468 4.495 628 1HG GLU 27 2HG GLU 27 -4.078 12.189 6.371 629 2HG GLU 27 1HG GLU 27 -4.737 11.531 4.876 630 H LYS 28 H LYS 28 -3.925 13.623 2.149 631 HA LYS 28 HA LYS 28 -6.272 12.121 1.717 632 1HB LYS 28 2HB LYS 28 -5.294 14.616 0.315 633 2HB LYS 28 1HB LYS 28 -6.929 13.975 0.215 634 1HG LYS 28 2HG LYS 28 -5.552 15.058 2.663 635 2HG LYS 28 1HG LYS 28 -6.900 15.782 1.782 636 1HD LYS 28 2HD LYS 28 -8.309 13.878 2.372 637 2HD LYS 28 1HD LYS 28 -6.960 13.143 3.240 638 1HE LYS 28 2HE LYS 28 -8.274 15.776 3.904 639 2HE LYS 28 1HE LYS 28 -8.498 14.260 4.774 640 1HZ LYS 28 1HZ LYS 28 -6.907 15.699 5.884 641 2HZ LYS 28 2HZ LYS 28 -5.931 15.728 4.504 642 3HZ LYS 28 3HZ LYS 28 -6.154 14.281 5.351 643 H VAL 29 H VAL 29 -3.566 12.970 -0.415 644 HA VAL 29 HA VAL 29 -4.537 11.774 -2.745 645 HB VAL 29 HB VAL 29 -1.657 12.040 -1.861 646 1HG1 VAL 29 1HG1 VAL 29 -1.008 11.190 -3.813 647 2HG1 VAL 29 2HG1 VAL 29 -2.165 12.176 -4.708 648 3HG1 VAL 29 3HG1 VAL 29 -2.667 10.631 -4.025 649 1HG2 VAL 29 1HG2 VAL 29 -2.675 13.896 -3.872 650 2HG2 VAL 29 2HG2 VAL 29 -1.704 14.202 -2.432 651 3HG2 VAL 29 3HG2 VAL 29 -3.456 14.060 -2.298 652 H VAL 30 H VAL 30 -2.687 10.437 -0.052 653 HA VAL 30 HA VAL 30 -2.243 7.878 -1.157 654 HB VAL 30 HB VAL 30 -2.666 8.478 1.776 655 1HG1 VAL 30 1HG1 VAL 30 -2.507 6.079 0.847 656 2HG1 VAL 30 2HG1 VAL 30 -1.486 6.514 2.216 657 3HG1 VAL 30 3HG1 VAL 30 -0.803 6.451 0.593 658 1HG2 VAL 30 1HG2 VAL 30 0.089 8.405 1.149 659 2HG2 VAL 30 2HG2 VAL 30 -0.853 9.764 1.757 660 3HG2 VAL 30 3HG2 VAL 30 -0.673 9.524 0.020 661 H LYS 31 H LYS 31 -4.890 9.216 0.845 662 HA LYS 31 HA LYS 31 -6.412 6.988 1.295 663 1HB LYS 31 2HB LYS 31 -7.512 9.666 0.426 664 2HB LYS 31 1HB LYS 31 -8.390 8.419 1.295 665 1HG LYS 31 2HG LYS 31 -6.260 10.259 2.275 666 2HG LYS 31 1HG LYS 31 -7.853 9.927 2.951 667 1HD LYS 31 2HD LYS 31 -7.016 7.591 3.436 668 2HD LYS 31 1HD LYS 31 -5.406 8.183 3.021 669 1HE LYS 31 2HE LYS 31 -5.785 8.233 5.436 670 2HE LYS 31 1HE LYS 31 -5.542 9.849 4.782 671 1HZ LYS 31 1HZ LYS 31 -7.458 9.412 6.439 672 2HZ LYS 31 2HZ LYS 31 -8.271 8.799 5.090 673 3HZ LYS 31 3HZ LYS 31 -7.737 10.402 5.096 674 H GLN 32 H GLN 32 -6.466 9.039 -1.569 675 HA GLN 32 HA GLN 32 -8.353 7.566 -3.037 676 1HB GLN 32 2HB GLN 32 -7.871 9.735 -3.818 677 2HB GLN 32 1HB GLN 32 -6.144 9.448 -3.848 678 1HG GLN 32 2HG GLN 32 -8.028 7.977 -5.657 679 2HG GLN 32 1HG GLN 32 -7.400 9.568 -6.067 680 1HE2 GLN 32 1HE2 GLN 32 -4.907 8.320 -4.418 681 2HE2 GLN 32 2HE2 GLN 32 -4.057 7.530 -5.691 682 H PHE 33 H PHE 33 -4.904 7.200 -2.619 683 HA PHE 33 HA PHE 33 -4.295 5.368 -4.610 684 1HB PHE 33 2HB PHE 33 -2.697 6.524 -3.038 685 2HB PHE 33 1HB PHE 33 -3.172 5.367 -1.800 686 HD1 PHE 33 1HD PHE 33 -1.634 5.671 -5.140 687 HD2 PHE 33 2HD PHE 33 -2.144 3.262 -1.657 688 HE1 PHE 33 1HE PHE 33 0.095 4.122 -5.945 689 HE2 PHE 33 2HE PHE 33 -0.416 1.716 -2.477 690 HZ PHE 33 HZ PHE 33 0.700 2.152 -4.629 691 H PHE 34 H PHE 34 -4.993 4.602 -1.226 692 HA PHE 34 HA PHE 34 -5.419 1.820 -1.723 693 1HB PHE 34 2HB PHE 34 -6.109 3.492 0.694 694 2HB PHE 34 1HB PHE 34 -6.149 1.727 0.630 695 HD1 PHE 34 1HD PHE 34 -3.820 0.981 -0.806 696 HD2 PHE 34 2HD PHE 34 -4.312 4.140 1.993 697 HE1 PHE 34 1HE PHE 34 -1.414 0.920 -0.325 698 HE2 PHE 34 2HE PHE 34 -1.902 4.080 2.489 699 HZ PHE 34 HZ PHE 34 -0.458 2.468 1.315 700 H ASN 35 H ASN 35 -7.535 4.593 -1.332 701 HA ASN 35 HA ASN 35 -10.013 3.388 -1.173 702 1HB ASN 35 2HB ASN 35 -9.635 5.826 -1.074 703 2HB ASN 35 1HB ASN 35 -9.249 5.832 -2.791 704 1HD2 ASN 35 1HD2 ASN 35 -11.482 6.782 -0.817 705 2HD2 ASN 35 2HD2 ASN 35 -12.920 6.501 -1.733 706 H ASP 36 H ASP 36 -7.956 3.937 -3.933 707 HA ASP 36 HA ASP 36 -9.854 2.665 -5.748 708 1HB ASP 36 2HB ASP 36 -7.231 4.065 -6.287 709 2HB ASP 36 1HB ASP 36 -8.252 3.352 -7.532 710 H ASN 37 H ASN 37 -6.918 1.871 -4.051 711 HA ASN 37 HA ASN 37 -6.273 -0.322 -5.830 712 1HB ASN 37 2HB ASN 37 -5.166 0.421 -3.112 713 2HB ASN 37 1HB ASN 37 -4.583 -0.926 -4.083 714 1HD2 ASN 37 1HD2 ASN 37 -3.434 1.716 -3.105 715 2HD2 ASN 37 2HD2 ASN 37 -2.718 2.397 -4.526 716 H GLY 38 H GLY 38 -7.552 0.093 -2.573 717 1HA GLY 38 2HA GLY 38 -7.998 -1.949 -1.222 718 2HA GLY 38 1HA GLY 38 -9.449 -1.196 -1.841 719 H VAL 39 H VAL 39 -10.847 -2.494 -2.738 720 HA VAL 39 HA VAL 39 -9.957 -5.169 -3.583 721 HB VAL 39 HB VAL 39 -12.723 -4.272 -2.852 722 1HG1 VAL 39 1HG1 VAL 39 -11.492 -6.894 -3.535 723 2HG1 VAL 39 2HG1 VAL 39 -13.067 -6.236 -3.978 724 3HG1 VAL 39 3HG1 VAL 39 -12.797 -6.857 -2.350 725 1HG2 VAL 39 1HG2 VAL 39 -10.812 -5.772 -1.074 726 2HG2 VAL 39 2HG2 VAL 39 -12.389 -5.104 -0.653 727 3HG2 VAL 39 3HG2 VAL 39 -11.040 -4.024 -1.001 728 H ASP 40 H ASP 40 -10.672 -2.379 -5.191 729 HA ASP 40 HA ASP 40 -11.978 -3.887 -7.348 730 1HB ASP 40 2HB ASP 40 -12.438 -0.994 -6.602 731 2HB ASP 40 1HB ASP 40 -13.121 -1.798 -8.011 732 H GLY 41 H GLY 41 -9.090 -2.858 -6.592 733 1HA GLY 41 2HA GLY 41 -8.469 -1.183 -8.865 734 2HA GLY 41 1HA GLY 41 -7.328 -1.802 -7.681 735 H GLU 42 H GLU 42 -6.412 -1.809 -10.131 736 HA GLU 42 HA GLU 42 -6.898 -4.455 -11.308 737 1HB GLU 42 2HB GLU 42 -5.338 -2.105 -12.408 738 2HB GLU 42 1HB GLU 42 -5.636 -3.617 -13.251 739 1HG GLU 42 2HG GLU 42 -7.169 -2.078 -14.129 740 2HG GLU 42 1HG GLU 42 -8.098 -3.106 -13.040 741 H TRP 43 H TRP 43 -5.704 -5.927 -10.218 742 HA TRP 43 HA TRP 43 -2.974 -5.263 -9.436 743 1HB TRP 43 2HB TRP 43 -4.668 -7.685 -8.826 744 2HB TRP 43 1HB TRP 43 -3.066 -7.373 -8.171 745 HD1 TRP 43 HD TRP 43 -6.059 -4.901 -8.370 746 HE1 TRP 43 1HE TRP 43 -6.554 -4.094 -5.973 747 HE3 TRP 43 3HE TRP 43 -2.670 -7.759 -5.842 748 HZ2 TRP 43 2HZ TRP 43 -5.627 -4.611 -3.358 749 HZ3 TRP 43 3HZ TRP 43 -2.535 -7.553 -3.400 750 HH2 TRP 43 HH TRP 43 -3.986 -6.007 -2.183 751 H THR 44 H THR 44 -1.325 -5.753 -10.709 752 HA THR 44 HA THR 44 -1.590 -7.980 -12.605 753 HB THR 44 HB THR 44 0.420 -6.966 -13.703 754 HG1 THR 44 1HG THR 44 1.084 -5.831 -11.749 755 1HG2 THR 44 1HG2 THR 44 -1.946 -5.139 -13.383 756 2HG2 THR 44 2HG2 THR 44 -1.715 -6.376 -14.620 757 3HG2 THR 44 3HG2 THR 44 -0.678 -4.948 -14.593 758 H TYR 45 H TYR 45 -0.338 -9.768 -12.402 759 HA TYR 45 HA TYR 45 1.479 -9.847 -10.094 760 1HB TYR 45 2HB TYR 45 -0.388 -11.422 -10.029 761 2HB TYR 45 1HB TYR 45 0.094 -12.084 -11.586 762 HD1 TYR 45 1HD TYR 45 2.416 -11.199 -8.842 763 HD2 TYR 45 2HD TYR 45 0.433 -14.330 -10.929 764 HE1 TYR 45 1HE TYR 45 3.829 -12.851 -7.693 765 HE2 TYR 45 2HE TYR 45 1.838 -15.992 -9.786 766 HH TYR 45 HH TYR 45 3.798 -16.232 -8.575 767 H ASP 46 H ASP 46 3.588 -10.492 -10.261 768 HA ASP 46 HA ASP 46 4.573 -11.122 -12.967 769 1HB ASP 46 2HB ASP 46 5.216 -8.838 -12.326 770 2HB ASP 46 1HB ASP 46 5.954 -9.454 -10.849 771 H ASP 47 H ASP 47 4.344 -13.347 -12.367 772 HA ASP 47 HA ASP 47 5.390 -14.649 -10.191 773 1HB ASP 47 2HB ASP 47 5.372 -15.640 -13.049 774 2HB ASP 47 1HB ASP 47 5.549 -16.654 -11.621 775 H ALA 48 H ALA 48 7.100 -13.541 -13.058 776 HA ALA 48 HA ALA 48 9.492 -14.860 -12.849 777 1HB ALA 48 1HB ALA 48 8.940 -13.375 -14.694 778 2HB ALA 48 2HB ALA 48 10.509 -12.962 -14.002 779 3HB ALA 48 3HB ALA 48 9.095 -11.978 -13.627 780 H THR 49 H THR 49 8.350 -12.204 -10.855 781 HA THR 49 HA THR 49 10.812 -12.467 -9.259 782 HB THR 49 HB THR 49 10.665 -10.055 -8.739 783 HG1 THR 49 1HG THR 49 8.978 -8.974 -9.305 784 1HG2 THR 49 1HG2 THR 49 12.091 -9.758 -10.392 785 2HG2 THR 49 2HG2 THR 49 10.738 -9.555 -11.506 786 3HG2 THR 49 3HG2 THR 49 11.434 -11.155 -11.246 787 H LYS 50 H LYS 50 7.794 -13.354 -9.133 788 HA LYS 50 HA LYS 50 6.229 -13.706 -7.488 789 1HB LYS 50 2HB LYS 50 8.611 -13.208 -5.689 790 2HB LYS 50 1HB LYS 50 7.108 -13.979 -5.205 791 1HG LYS 50 2HG LYS 50 8.625 -15.156 -7.471 792 2HG LYS 50 1HG LYS 50 9.245 -15.378 -5.835 793 1HD LYS 50 2HD LYS 50 7.844 -17.252 -6.405 794 2HD LYS 50 1HD LYS 50 7.039 -16.283 -5.174 795 1HE LYS 50 2HE LYS 50 5.525 -17.061 -6.961 796 2HE LYS 50 1HE LYS 50 5.585 -15.309 -6.801 797 1HZ LYS 50 1HZ LYS 50 7.289 -16.727 -8.754 798 2HZ LYS 50 2HZ LYS 50 6.818 -15.103 -8.751 799 3HZ LYS 50 3HZ LYS 50 5.695 -16.306 -9.132 800 H THR 51 H THR 51 6.606 -10.993 -8.484 801 HA THR 51 HA THR 51 5.875 -9.411 -6.115 802 HB THR 51 HB THR 51 7.041 -8.586 -8.777 803 HG1 THR 51 1HG THR 51 8.406 -9.488 -7.057 804 1HG2 THR 51 1HG2 THR 51 5.926 -6.663 -8.416 805 2HG2 THR 51 2HG2 THR 51 7.297 -6.365 -7.348 806 3HG2 THR 51 3HG2 THR 51 5.771 -6.941 -6.683 807 H PHE 52 H PHE 52 4.137 -7.871 -6.302 808 HA PHE 52 HA PHE 52 2.290 -8.436 -8.525 809 1HB PHE 52 2HB PHE 52 1.449 -8.016 -5.663 810 2HB PHE 52 1HB PHE 52 0.405 -8.370 -7.031 811 HD1 PHE 52 1HD PHE 52 -0.324 -10.528 -7.276 812 HD2 PHE 52 2HD PHE 52 3.381 -9.815 -5.306 813 HE1 PHE 52 1HE PHE 52 -0.117 -12.933 -6.804 814 HE2 PHE 52 2HE PHE 52 3.594 -12.220 -4.833 815 HZ PHE 52 HZ PHE 52 1.843 -13.780 -5.579 816 H THR 53 H THR 53 2.701 -6.601 -9.588 817 HA THR 53 HA THR 53 2.703 -4.014 -8.360 818 HB THR 53 HB THR 53 2.406 -3.246 -10.837 819 HG1 THR 53 1HG THR 53 2.676 -4.728 -12.337 820 1HG2 THR 53 1HG2 THR 53 4.795 -4.446 -9.567 821 2HG2 THR 53 2HG2 THR 53 4.485 -2.785 -10.076 822 3HG2 THR 53 3HG2 THR 53 4.868 -4.021 -11.278 823 H VAL 54 H VAL 54 1.102 -2.717 -7.883 824 HA VAL 54 HA VAL 54 -1.580 -3.357 -8.925 825 HB VAL 54 HB VAL 54 -0.895 -2.144 -6.237 826 1HG1 VAL 54 1HG1 VAL 54 -2.982 -1.270 -6.816 827 2HG1 VAL 54 2HG1 VAL 54 -3.372 -2.688 -5.842 828 3HG1 VAL 54 3HG1 VAL 54 -3.495 -2.763 -7.600 829 1HG2 VAL 54 1HG2 VAL 54 -0.405 -4.304 -5.786 830 2HG2 VAL 54 2HG2 VAL 54 -1.350 -4.918 -7.144 831 3HG2 VAL 54 3HG2 VAL 54 -2.158 -4.440 -5.650 832 H THR 55 H THR 55 -2.367 -1.861 -10.232 833 HA THR 55 HA THR 55 -1.340 0.880 -10.036 834 HB THR 55 HB THR 55 -2.882 -0.378 -12.310 835 HG1 THR 55 1HG THR 55 -0.745 -1.272 -11.907 836 1HG2 THR 55 1HG2 THR 55 -3.041 2.031 -12.345 837 2HG2 THR 55 2HG2 THR 55 -1.977 1.472 -13.636 838 3HG2 THR 55 3HG2 THR 55 -1.292 2.170 -12.167 839 H GLU 56 H GLU 56 -2.576 2.235 -8.888 840 HA GLU 56 HA GLU 56 -5.100 1.729 -7.943 841 1HB GLU 56 2HB GLU 56 -5.265 4.042 -7.363 842 2HB GLU 56 1HB GLU 56 -3.580 3.567 -7.197 843 1HG GLU 56 2HG GLU 56 -3.600 5.699 -8.194 844 2HG GLU 56 1HG GLU 56 -3.179 4.552 -9.465 Start of MODEL 30 1 1H MET 1 1HT MET 1 5.875 -18.418 3.616 2 2H MET 1 2HT MET 1 5.123 -19.412 2.473 3 3H MET 1 3HT MET 1 4.513 -17.863 2.777 4 HA MET 1 HA MET 1 7.271 -18.216 1.813 5 1HB MET 1 2HB MET 1 5.716 -19.472 0.327 6 2HB MET 1 1HB MET 1 4.793 -17.995 0.090 7 1HG MET 1 2HG MET 1 6.254 -18.398 -1.790 8 2HG MET 1 1HG MET 1 6.743 -16.938 -0.931 9 1HE MET 1 1HE MET 1 8.952 -17.059 -2.335 10 2HE MET 1 2HE MET 1 8.652 -18.639 -3.059 11 3HE MET 1 3HE MET 1 10.163 -18.334 -2.202 12 H GLN 2 H GLN 2 8.084 -16.282 0.887 13 HA GLN 2 HA GLN 2 6.657 -13.882 1.804 14 1HB GLN 2 2HB GLN 2 8.948 -14.307 2.695 15 2HB GLN 2 1HB GLN 2 9.570 -14.196 1.055 16 1HG GLN 2 2HG GLN 2 9.973 -12.121 2.132 17 2HG GLN 2 1HG GLN 2 8.699 -11.874 0.942 18 1HE2 GLN 2 1HE2 GLN 2 7.418 -13.543 3.543 19 2HE2 GLN 2 2HE2 GLN 2 6.767 -12.206 4.413 20 H TYR 3 H TYR 3 5.885 -12.437 0.387 21 HA TYR 3 HA TYR 3 6.816 -12.598 -2.405 22 1HB TYR 3 2HB TYR 3 4.000 -12.134 -1.405 23 2HB TYR 3 1HB TYR 3 4.501 -11.942 -3.082 24 HD1 TYR 3 1HD TYR 3 4.904 -13.855 -4.486 25 HD2 TYR 3 2HD TYR 3 3.907 -14.365 -0.381 26 HE1 TYR 3 1HE TYR 3 4.486 -16.244 -4.890 27 HE2 TYR 3 2HE TYR 3 3.487 -16.754 -0.775 28 HH TYR 3 HH TYR 3 4.314 -18.505 -2.525 29 H LYS 4 H LYS 4 6.939 -10.648 -3.561 30 HA LYS 4 HA LYS 4 7.021 -8.271 -1.825 31 1HB LYS 4 2HB LYS 4 9.156 -8.910 -2.872 32 2HB LYS 4 1HB LYS 4 8.416 -8.770 -4.461 33 1HG LYS 4 2HG LYS 4 8.052 -6.389 -4.092 34 2HG LYS 4 1HG LYS 4 8.768 -6.525 -2.485 35 1HD LYS 4 2HD LYS 4 10.880 -7.256 -3.509 36 2HD LYS 4 1HD LYS 4 10.159 -7.068 -5.108 37 1HE LYS 4 2HE LYS 4 10.578 -4.884 -3.071 38 2HE LYS 4 1HE LYS 4 11.528 -5.135 -4.535 39 1HZ LYS 4 1HZ LYS 4 8.926 -3.921 -4.211 40 2HZ LYS 4 2HZ LYS 4 9.033 -4.996 -5.511 41 3HZ LYS 4 3HZ LYS 4 10.092 -3.681 -5.414 42 H VAL 5 H VAL 5 5.128 -7.233 -1.970 43 HA VAL 5 HA VAL 5 3.801 -7.014 -4.560 44 HB VAL 5 HB VAL 5 2.863 -6.181 -1.811 45 1HG1 VAL 5 1HG1 VAL 5 1.489 -6.116 -4.488 46 2HG1 VAL 5 2HG1 VAL 5 1.789 -4.769 -3.392 47 3HG1 VAL 5 3HG1 VAL 5 0.628 -6.020 -2.952 48 1HG2 VAL 5 1HG2 VAL 5 2.646 -8.672 -3.375 49 2HG2 VAL 5 2HG2 VAL 5 1.175 -8.128 -2.570 50 3HG2 VAL 5 3HG2 VAL 5 2.637 -8.421 -1.630 51 H ILE 6 H ILE 6 3.828 -5.228 -5.748 52 HA ILE 6 HA ILE 6 5.023 -2.811 -4.566 53 HB ILE 6 HB ILE 6 4.944 -3.619 -7.477 54 1HG1 ILE 6 2HG1 ILE 6 7.262 -3.531 -5.534 55 2HG1 ILE 6 1HG1 ILE 6 6.463 -4.997 -6.085 56 1HG2 ILE 6 1HG2 ILE 6 4.966 -1.105 -6.740 57 2HG2 ILE 6 2HG2 ILE 6 6.040 -1.670 -8.018 58 3HG2 ILE 6 3HG2 ILE 6 6.662 -1.438 -6.385 59 1HD1 ILE 6 1HD1 ILE 6 7.107 -4.259 -8.435 60 2HD1 ILE 6 2HD1 ILE 6 8.399 -4.832 -7.380 61 3HD1 ILE 6 3HD1 ILE 6 8.179 -3.104 -7.645 62 H LEU 7 H LEU 7 3.893 -0.988 -4.501 63 HA LEU 7 HA LEU 7 1.225 -0.981 -5.741 64 1HB LEU 7 2HB LEU 7 2.142 0.813 -3.502 65 2HB LEU 7 1HB LEU 7 0.500 0.423 -3.980 66 HG LEU 7 HG LEU 7 2.437 -1.466 -2.662 67 1HD1 LEU 7 1HD1 LEU 7 -0.151 -0.456 -1.538 68 2HD1 LEU 7 2HD1 LEU 7 1.355 0.434 -1.319 69 3HD1 LEU 7 3HD1 LEU 7 1.208 -1.210 -0.701 70 1HD2 LEU 7 1HD2 LEU 7 -0.472 -1.975 -3.177 71 2HD2 LEU 7 2HD2 LEU 7 0.804 -3.125 -2.770 72 3HD2 LEU 7 3HD2 LEU 7 0.756 -2.390 -4.373 73 H ASN 8 H ASN 8 1.757 -0.153 -7.762 74 HA ASN 8 HA ASN 8 3.218 2.372 -7.881 75 1HB ASN 8 2HB ASN 8 2.257 0.579 -10.120 76 2HB ASN 8 1HB ASN 8 3.289 1.995 -10.305 77 1HD2 ASN 8 1HD2 ASN 8 5.359 1.584 -10.470 78 2HD2 ASN 8 2HD2 ASN 8 6.180 0.202 -9.836 79 H GLY 9 H GLY 9 1.981 4.124 -7.542 80 1HA GLY 9 2HA GLY 9 -0.654 4.221 -8.871 81 2HA GLY 9 1HA GLY 9 -0.236 5.121 -7.420 82 H LYS 10 H LYS 10 -1.253 6.758 -8.996 83 HA LYS 10 HA LYS 10 0.514 7.754 -11.026 84 1HB LYS 10 2HB LYS 10 -2.015 8.885 -9.816 85 2HB LYS 10 1HB LYS 10 -1.138 9.645 -11.136 86 1HG LYS 10 2HG LYS 10 -1.570 7.789 -12.580 87 2HG LYS 10 1HG LYS 10 -2.275 6.865 -11.254 88 1HD LYS 10 2HD LYS 10 -4.012 7.816 -12.687 89 2HD LYS 10 1HD LYS 10 -4.080 8.504 -11.064 90 1HE LYS 10 2HE LYS 10 -2.859 10.477 -11.861 91 2HE LYS 10 1HE LYS 10 -2.817 9.790 -13.485 92 1HZ LYS 10 1HZ LYS 10 -4.656 11.068 -13.687 93 2HZ LYS 10 2HZ LYS 10 -5.038 11.009 -12.040 94 3HZ LYS 10 3HZ LYS 10 -5.411 9.697 -13.041 95 H THR 11 H THR 11 -0.704 8.979 -7.923 96 HA THR 11 HA THR 11 1.524 10.861 -7.768 97 HB THR 11 HB THR 11 0.045 11.663 -5.774 98 HG1 THR 11 1HG THR 11 -2.223 11.191 -6.367 99 1HG2 THR 11 1HG2 THR 11 0.250 12.553 -8.317 100 2HG2 THR 11 2HG2 THR 11 -0.745 13.310 -7.074 101 3HG2 THR 11 3HG2 THR 11 -1.473 12.189 -8.225 102 H LEU 12 H LEU 12 0.894 7.789 -6.840 103 HA LEU 12 HA LEU 12 2.621 8.056 -4.493 104 1HB LEU 12 2HB LEU 12 0.356 7.860 -3.650 105 2HB LEU 12 1HB LEU 12 0.090 6.422 -4.618 106 HG LEU 12 HG LEU 12 1.669 5.175 -3.300 107 1HD1 LEU 12 1HD1 LEU 12 3.380 6.269 -2.409 108 2HD1 LEU 12 2HD1 LEU 12 2.282 6.811 -1.139 109 3HD1 LEU 12 3HD1 LEU 12 2.554 7.814 -2.561 110 1HD2 LEU 12 1HD2 LEU 12 0.155 4.769 -1.720 111 2HD2 LEU 12 2HD2 LEU 12 -0.763 6.115 -2.394 112 3HD2 LEU 12 3HD2 LEU 12 0.324 6.383 -1.032 113 H LYS 13 H LYS 13 4.112 6.491 -4.226 114 HA LYS 13 HA LYS 13 4.001 4.073 -5.863 115 1HB LYS 13 2HB LYS 13 6.309 6.028 -5.940 116 2HB LYS 13 1HB LYS 13 6.312 4.431 -6.678 117 1HG LYS 13 2HG LYS 13 4.588 5.072 -8.213 118 2HG LYS 13 1HG LYS 13 4.382 6.624 -7.400 119 1HD LYS 13 2HD LYS 13 6.901 5.713 -8.791 120 2HD LYS 13 1HD LYS 13 5.697 6.802 -9.485 121 1HE LYS 13 2HE LYS 13 6.090 8.374 -7.626 122 2HE LYS 13 1HE LYS 13 7.340 7.298 -7.004 123 1HZ LYS 13 1HZ LYS 13 7.701 7.986 -9.770 124 2HZ LYS 13 2HZ LYS 13 8.806 8.037 -8.490 125 3HZ LYS 13 3HZ LYS 13 7.743 9.330 -8.743 126 H GLY 14 H GLY 14 5.082 2.325 -4.941 127 1HA GLY 14 2HA GLY 14 7.049 2.586 -2.921 128 2HA GLY 14 1HA GLY 14 5.479 2.344 -2.177 129 H GLU 15 H GLU 15 6.874 0.477 -1.390 130 HA GLU 15 HA GLU 15 6.223 -1.854 -3.031 131 1HB GLU 15 2HB GLU 15 8.921 -1.402 -1.735 132 2HB GLU 15 1HB GLU 15 8.404 -2.895 -2.503 133 1HG GLU 15 2HG GLU 15 9.750 -1.820 -4.081 134 2HG GLU 15 1HG GLU 15 8.097 -1.539 -4.619 135 H THR 16 H THR 16 5.899 -3.779 -1.820 136 HA THR 16 HA THR 16 6.055 -3.640 1.067 137 HB THR 16 HB THR 16 3.952 -2.691 1.004 138 HG1 THR 16 1HG THR 16 3.293 -5.417 0.822 139 1HG2 THR 16 1HG2 THR 16 3.255 -4.425 -1.348 140 2HG2 THR 16 2HG2 THR 16 3.523 -2.684 -1.356 141 3HG2 THR 16 3HG2 THR 16 2.131 -3.359 -0.507 142 H THR 17 H THR 17 5.307 -5.758 2.076 143 HA THR 17 HA THR 17 5.526 -8.023 0.237 144 HB THR 17 HB THR 17 7.251 -9.083 1.654 145 HG1 THR 17 1HG THR 17 6.786 -7.779 3.536 146 1HG2 THR 17 1HG2 THR 17 7.680 -7.196 -0.271 147 2HG2 THR 17 2HG2 THR 17 8.914 -8.224 0.458 148 3HG2 THR 17 3HG2 THR 17 8.642 -6.595 1.079 149 H THR 18 H THR 18 4.026 -9.444 0.656 150 HA THR 18 HA THR 18 2.940 -9.702 3.402 151 HB THR 18 HB THR 18 1.318 -9.002 1.645 152 HG1 THR 18 1HG THR 18 0.674 -10.291 3.448 153 1HG2 THR 18 1HG2 THR 18 1.485 -9.903 -0.375 154 2HG2 THR 18 2HG2 THR 18 0.676 -11.311 0.315 155 3HG2 THR 18 3HG2 THR 18 2.435 -11.264 0.214 156 H GLU 19 H GLU 19 2.743 -11.779 4.302 157 HA GLU 19 HA GLU 19 4.315 -13.850 2.922 158 1HB GLU 19 2HB GLU 19 5.143 -13.076 5.139 159 2HB GLU 19 1HB GLU 19 3.647 -13.643 5.865 160 1HG GLU 19 2HG GLU 19 5.438 -15.484 4.320 161 2HG GLU 19 1HG GLU 19 5.711 -15.136 6.026 162 H ALA 20 H ALA 20 3.193 -15.453 2.009 163 HA ALA 20 HA ALA 20 0.909 -16.582 3.408 164 1HB ALA 20 1HB ALA 20 0.486 -15.905 0.536 165 2HB ALA 20 2HB ALA 20 0.221 -14.677 1.774 166 3HB ALA 20 3HB ALA 20 -0.698 -16.182 1.814 167 H VAL 21 H VAL 21 0.325 -18.644 2.730 168 HA VAL 21 HA VAL 21 2.330 -20.412 2.102 169 HB VAL 21 HB VAL 21 -0.569 -20.861 1.399 170 1HG1 VAL 21 1HG1 VAL 21 1.606 -22.789 2.196 171 2HG1 VAL 21 2HG1 VAL 21 0.972 -22.563 0.566 172 3HG1 VAL 21 3HG1 VAL 21 -0.069 -23.204 1.837 173 1HG2 VAL 21 1HG2 VAL 21 0.845 -20.864 4.037 174 2HG2 VAL 21 2HG2 VAL 21 -0.551 -21.907 3.766 175 3HG2 VAL 21 3HG2 VAL 21 -0.712 -20.158 3.603 176 H ASP 22 H ASP 22 0.416 -18.521 -0.088 177 HA ASP 22 HA ASP 22 2.119 -19.319 -2.286 178 1HB ASP 22 2HB ASP 22 0.142 -19.847 -3.781 179 2HB ASP 22 1HB ASP 22 0.536 -21.060 -2.567 180 H ALA 23 H ALA 23 1.344 -18.158 -4.388 181 HA ALA 23 HA ALA 23 1.452 -15.411 -3.907 182 1HB ALA 23 1HB ALA 23 2.210 -15.827 -6.000 183 2HB ALA 23 2HB ALA 23 0.542 -15.444 -6.423 184 3HB ALA 23 3HB ALA 23 1.050 -17.126 -6.278 185 H ALA 24 H ALA 24 -1.294 -17.495 -4.686 186 HA ALA 24 HA ALA 24 -3.209 -15.440 -4.922 187 1HB ALA 24 1HB ALA 24 -3.326 -18.380 -4.441 188 2HB ALA 24 2HB ALA 24 -4.017 -17.424 -5.751 189 3HB ALA 24 3HB ALA 24 -4.781 -17.423 -4.161 190 H THR 25 H THR 25 -2.491 -17.593 -2.159 191 HA THR 25 HA THR 25 -4.165 -16.412 -0.301 192 HB THR 25 HB THR 25 -2.471 -17.201 1.401 193 HG1 THR 25 1HG THR 25 -0.993 -17.511 -0.910 194 1HG2 THR 25 1HG2 THR 25 -4.162 -18.750 0.835 195 2HG2 THR 25 2HG2 THR 25 -2.628 -19.617 0.818 196 3HG2 THR 25 3HG2 THR 25 -3.384 -19.133 -0.699 197 H ALA 26 H ALA 26 -0.864 -15.556 -1.248 198 HA ALA 26 HA ALA 26 -0.512 -13.410 0.539 199 1HB ALA 26 1HB ALA 26 0.952 -12.661 -1.637 200 2HB ALA 26 2HB ALA 26 0.803 -14.400 -1.892 201 3HB ALA 26 3HB ALA 26 1.503 -13.785 -0.394 202 H GLU 27 H GLU 27 -1.581 -13.459 -2.876 203 HA GLU 27 HA GLU 27 -2.121 -10.782 -3.201 204 1HB GLU 27 2HB GLU 27 -2.182 -12.412 -5.027 205 2HB GLU 27 1HB GLU 27 -3.629 -13.137 -4.339 206 1HG GLU 27 2HG GLU 27 -4.848 -11.055 -4.707 207 2HG GLU 27 1HG GLU 27 -3.399 -10.330 -5.401 208 H LYS 28 H LYS 28 -4.262 -13.334 -1.973 209 HA LYS 28 HA LYS 28 -6.520 -11.703 -1.559 210 1HB LYS 28 2HB LYS 28 -5.687 -14.232 -0.120 211 2HB LYS 28 1HB LYS 28 -7.286 -13.505 -0.042 212 1HG LYS 28 2HG LYS 28 -5.952 -14.660 -2.480 213 2HG LYS 28 1HG LYS 28 -7.311 -15.346 -1.586 214 1HD LYS 28 2HD LYS 28 -8.672 -13.397 -2.170 215 2HD LYS 28 1HD LYS 28 -7.312 -12.714 -3.061 216 1HE LYS 28 2HE LYS 28 -8.897 -13.797 -4.568 217 2HE LYS 28 1HE LYS 28 -7.341 -14.627 -4.579 218 1HZ LYS 28 1HZ LYS 28 -9.670 -15.505 -2.963 219 2HZ LYS 28 2HZ LYS 28 -8.219 -16.341 -3.201 220 3HZ LYS 28 3HZ LYS 28 -9.291 -16.127 -4.491 221 H VAL 29 H VAL 29 -3.845 -12.638 0.559 222 HA VAL 29 HA VAL 29 -4.756 -11.361 2.884 223 HB VAL 29 HB VAL 29 -1.910 -11.875 1.995 224 1HG1 VAL 29 1HG1 VAL 29 -1.364 -10.583 3.733 225 2HG1 VAL 29 2HG1 VAL 29 -1.929 -11.920 4.736 226 3HG1 VAL 29 3HG1 VAL 29 -3.011 -10.580 4.362 227 1HG2 VAL 29 1HG2 VAL 29 -3.076 -13.528 4.111 228 2HG2 VAL 29 2HG2 VAL 29 -2.111 -13.992 2.710 229 3HG2 VAL 29 3HG2 VAL 29 -3.845 -13.722 2.536 230 H VAL 30 H VAL 30 -2.886 -10.200 0.135 231 HA VAL 30 HA VAL 30 -2.317 -7.635 1.223 232 HB VAL 30 HB VAL 30 -2.541 -8.420 -1.686 233 1HG1 VAL 30 1HG1 VAL 30 -2.454 -5.926 -0.845 234 2HG1 VAL 30 2HG1 VAL 30 -1.508 -6.442 -2.239 235 3HG1 VAL 30 3HG1 VAL 30 -0.738 -6.281 -0.663 236 1HG2 VAL 30 1HG2 VAL 30 0.122 -8.175 -0.491 237 2HG2 VAL 30 2HG2 VAL 30 -0.512 -9.376 -1.616 238 3HG2 VAL 30 3HG2 VAL 30 -0.830 -9.532 0.112 239 H LYS 31 H LYS 31 -4.818 -8.852 -1.033 240 HA LYS 31 HA LYS 31 -6.237 -6.557 -1.517 241 1HB LYS 31 2HB LYS 31 -7.216 -9.367 -1.049 242 2HB LYS 31 1HB LYS 31 -8.295 -8.067 -1.527 243 1HG LYS 31 2HG LYS 31 -7.043 -7.755 -3.580 244 2HG LYS 31 1HG LYS 31 -5.914 -9.025 -3.096 245 1HD LYS 31 2HD LYS 31 -7.710 -10.661 -3.117 246 2HD LYS 31 1HD LYS 31 -8.879 -9.401 -3.515 247 1HE LYS 31 2HE LYS 31 -7.737 -8.995 -5.632 248 2HE LYS 31 1HE LYS 31 -6.540 -10.225 -5.233 249 1HZ LYS 31 1HZ LYS 31 -8.076 -11.920 -5.494 250 2HZ LYS 31 2HZ LYS 31 -8.485 -10.861 -6.747 251 3HZ LYS 31 3HZ LYS 31 -9.411 -10.894 -5.331 252 H GLN 32 H GLN 32 -6.493 -8.723 1.241 253 HA GLN 32 HA GLN 32 -8.551 -7.359 2.594 254 1HB GLN 32 2HB GLN 32 -7.533 -9.694 3.063 255 2HB GLN 32 1HB GLN 32 -6.342 -8.824 4.019 256 1HG GLN 32 2HG GLN 32 -8.162 -9.697 5.389 257 2HG GLN 32 1HG GLN 32 -8.087 -7.936 5.441 258 1HE2 GLN 32 1HE2 GLN 32 -10.004 -10.645 4.790 259 2HE2 GLN 32 2HE2 GLN 32 -11.395 -9.825 4.180 260 H PHE 33 H PHE 33 -5.085 -6.938 2.485 261 HA PHE 33 HA PHE 33 -4.670 -5.184 4.600 262 1HB PHE 33 2HB PHE 33 -2.915 -6.260 3.140 263 2HB PHE 33 1HB PHE 33 -3.305 -5.078 1.896 264 HD1 PHE 33 1HD PHE 33 -2.384 -5.204 5.498 265 HD2 PHE 33 2HD PHE 33 -1.999 -3.194 1.755 266 HE1 PHE 33 1HE PHE 33 -0.807 -3.603 6.503 267 HE2 PHE 33 2HE PHE 33 -0.411 -1.612 2.769 268 HZ PHE 33 HZ PHE 33 0.184 -1.826 5.152 269 H PHE 34 H PHE 34 -5.094 -4.319 1.189 270 HA PHE 34 HA PHE 34 -5.556 -1.556 1.709 271 1HB PHE 34 2HB PHE 34 -6.183 -3.161 -0.772 272 2HB PHE 34 1HB PHE 34 -6.094 -1.401 -0.669 273 HD1 PHE 34 1HD PHE 34 -3.805 -0.727 0.739 274 HD2 PHE 34 2HD PHE 34 -4.365 -4.056 -1.838 275 HE1 PHE 34 1HE PHE 34 -1.377 -0.846 0.377 276 HE2 PHE 34 2HE PHE 34 -1.937 -4.179 -2.217 277 HZ PHE 34 HZ PHE 34 -0.448 -2.572 -1.094 278 H ASN 35 H ASN 35 -7.659 -4.304 1.079 279 HA ASN 35 HA ASN 35 -10.121 -3.080 0.819 280 1HB ASN 35 2HB ASN 35 -9.746 -5.508 0.634 281 2HB ASN 35 1HB ASN 35 -9.441 -5.597 2.365 282 1HD2 ASN 35 1HD2 ASN 35 -11.587 -6.373 0.195 283 2HD2 ASN 35 2HD2 ASN 35 -13.062 -6.165 1.071 284 H ASP 36 H ASP 36 -8.204 -3.733 3.654 285 HA ASP 36 HA ASP 36 -10.193 -2.565 5.443 286 1HB ASP 36 2HB ASP 36 -7.555 -3.905 6.067 287 2HB ASP 36 1HB ASP 36 -8.716 -3.341 7.264 288 H ASN 37 H ASN 37 -7.177 -1.689 3.930 289 HA ASN 37 HA ASN 37 -6.630 0.447 5.812 290 1HB ASN 37 2HB ASN 37 -5.400 -0.192 3.119 291 2HB ASN 37 1HB ASN 37 -4.869 1.120 4.161 292 1HD2 ASN 37 1HD2 ASN 37 -3.671 -1.495 3.134 293 2HD2 ASN 37 2HD2 ASN 37 -3.004 -2.205 4.562 294 H GLY 38 H GLY 38 -7.752 0.119 2.504 295 1HA GLY 38 2HA GLY 38 -8.139 2.172 1.166 296 2HA GLY 38 1HA GLY 38 -9.617 1.408 1.702 297 H VAL 39 H VAL 39 -11.061 2.675 2.553 298 HA VAL 39 HA VAL 39 -10.439 5.420 3.029 299 HB VAL 39 HB VAL 39 -13.039 3.934 3.150 300 1HG1 VAL 39 1HG1 VAL 39 -13.760 6.509 2.812 301 2HG1 VAL 39 2HG1 VAL 39 -12.355 6.714 3.858 302 3HG1 VAL 39 3HG1 VAL 39 -13.705 5.709 4.384 303 1HG2 VAL 39 1HG2 VAL 39 -13.168 4.239 0.953 304 2HG2 VAL 39 2HG2 VAL 39 -11.472 4.721 0.994 305 3HG2 VAL 39 3HG2 VAL 39 -12.742 5.944 1.099 306 H ASP 40 H ASP 40 -12.009 2.986 5.187 307 HA ASP 40 HA ASP 40 -11.714 4.869 7.362 308 1HB ASP 40 2HB ASP 40 -12.986 2.134 7.265 309 2HB ASP 40 1HB ASP 40 -13.016 3.214 8.655 310 H GLY 41 H GLY 41 -9.273 3.515 6.259 311 1HA GLY 41 2HA GLY 41 -8.432 1.608 8.219 312 2HA GLY 41 1HA GLY 41 -7.394 2.434 7.064 313 H GLU 42 H GLU 42 -6.576 1.948 9.703 314 HA GLU 42 HA GLU 42 -6.914 4.460 11.146 315 1HB GLU 42 2HB GLU 42 -5.367 1.964 11.875 316 2HB GLU 42 1HB GLU 42 -5.610 3.353 12.925 317 1HG GLU 42 2HG GLU 42 -8.017 2.949 12.908 318 2HG GLU 42 1HG GLU 42 -7.774 1.556 11.855 319 H TRP 43 H TRP 43 -5.764 6.008 10.038 320 HA TRP 43 HA TRP 43 -2.996 5.451 9.304 321 1HB TRP 43 2HB TRP 43 -4.734 7.854 8.736 322 2HB TRP 43 1HB TRP 43 -3.116 7.588 8.099 323 HD1 TRP 43 HD TRP 43 -6.107 5.121 8.172 324 HE1 TRP 43 1HE TRP 43 -6.548 4.350 5.755 325 HE3 TRP 43 3HE TRP 43 -2.629 7.979 5.794 326 HZ2 TRP 43 2HZ TRP 43 -5.538 4.901 3.172 327 HZ3 TRP 43 3HZ TRP 43 -2.419 7.803 3.361 328 HH2 TRP 43 HH TRP 43 -3.843 6.298 2.067 329 H THR 44 H THR 44 -1.404 5.938 10.645 330 HA THR 44 HA THR 44 -1.765 8.157 12.545 331 HB THR 44 HB THR 44 0.105 7.107 13.811 332 HG1 THR 44 1HG THR 44 0.742 5.011 13.198 333 1HG2 THR 44 1HG2 THR 44 -1.220 5.710 14.951 334 2HG2 THR 44 2HG2 THR 44 -1.687 4.805 13.512 335 3HG2 THR 44 3HG2 THR 44 -2.476 6.338 13.884 336 H TYR 45 H TYR 45 -0.360 9.875 12.493 337 HA TYR 45 HA TYR 45 1.615 9.852 10.312 338 1HB TYR 45 2HB TYR 45 -0.244 11.491 10.111 339 2HB TYR 45 1HB TYR 45 0.286 12.237 11.614 340 HD1 TYR 45 1HD TYR 45 2.564 10.975 8.987 341 HD2 TYR 45 2HD TYR 45 0.761 14.401 10.753 342 HE1 TYR 45 1HE TYR 45 4.089 12.427 7.715 343 HE2 TYR 45 2HE TYR 45 2.279 15.861 9.485 344 HH TYR 45 HH TYR 45 4.998 15.029 8.214 345 H ASP 46 H ASP 46 3.699 10.500 10.646 346 HA ASP 46 HA ASP 46 4.471 11.087 13.428 347 1HB ASP 46 2HB ASP 46 5.119 8.798 12.814 348 2HB ASP 46 1HB ASP 46 5.989 9.413 11.412 349 H ASP 47 H ASP 47 4.393 13.332 12.907 350 HA ASP 47 HA ASP 47 5.573 14.681 10.846 351 1HB ASP 47 2HB ASP 47 5.547 15.501 13.757 352 2HB ASP 47 1HB ASP 47 5.848 16.586 12.404 353 H ALA 48 H ALA 48 7.161 13.331 13.685 354 HA ALA 48 HA ALA 48 9.631 14.509 13.579 355 1HB ALA 48 1HB ALA 48 10.482 12.646 14.778 356 2HB ALA 48 2HB ALA 48 9.228 11.582 14.140 357 3HB ALA 48 3HB ALA 48 8.805 12.862 15.277 358 H THR 49 H THR 49 8.410 11.931 11.515 359 HA THR 49 HA THR 49 10.854 12.195 9.893 360 HB THR 49 HB THR 49 10.680 9.795 9.336 361 HG1 THR 49 1HG THR 49 8.919 8.799 9.823 362 1HG2 THR 49 1HG2 THR 49 11.028 10.600 12.184 363 2HG2 THR 49 2HG2 THR 49 12.229 10.045 11.018 364 3HG2 THR 49 3HG2 THR 49 11.092 8.897 11.727 365 H LYS 50 H LYS 50 7.851 13.118 9.846 366 HA LYS 50 HA LYS 50 6.198 13.437 8.289 367 1HB LYS 50 2HB LYS 50 8.599 13.353 6.461 368 2HB LYS 50 1HB LYS 50 7.017 13.996 6.035 369 1HG LYS 50 2HG LYS 50 7.601 15.348 8.340 370 2HG LYS 50 1HG LYS 50 9.179 15.204 7.565 371 1HD LYS 50 2HD LYS 50 6.704 16.216 6.188 372 2HD LYS 50 1HD LYS 50 7.901 17.262 6.952 373 1HE LYS 50 2HE LYS 50 8.352 17.165 4.593 374 2HE LYS 50 1HE LYS 50 9.627 16.302 5.451 375 1HZ LYS 50 1HZ LYS 50 7.297 14.848 4.375 376 2HZ LYS 50 2HZ LYS 50 8.846 14.265 4.724 377 3HZ LYS 50 3HZ LYS 50 8.598 15.244 3.370 378 H THR 51 H THR 51 6.528 10.744 9.028 379 HA THR 51 HA THR 51 6.012 9.327 6.506 380 HB THR 51 HB THR 51 6.971 8.269 9.170 381 HG1 THR 51 1HG THR 51 8.474 9.416 7.725 382 1HG2 THR 51 1HG2 THR 51 6.288 6.267 8.549 383 2HG2 THR 51 2HG2 THR 51 7.425 6.360 7.204 384 3HG2 THR 51 3HG2 THR 51 5.752 6.871 6.981 385 H PHE 52 H PHE 52 4.227 7.920 6.364 386 HA PHE 52 HA PHE 52 2.208 8.324 8.471 387 1HB PHE 52 2HB PHE 52 1.738 7.894 5.521 388 2HB PHE 52 1HB PHE 52 0.495 8.094 6.750 389 HD1 PHE 52 1HD PHE 52 -0.359 10.197 7.161 390 HD2 PHE 52 2HD PHE 52 3.464 9.834 5.328 391 HE1 PHE 52 1HE PHE 52 -0.287 12.635 6.840 392 HE2 PHE 52 2HE PHE 52 3.544 12.272 5.004 393 HZ PHE 52 HZ PHE 52 1.668 13.676 5.761 394 H THR 53 H THR 53 2.516 6.568 9.624 395 HA THR 53 HA THR 53 2.749 3.927 8.497 396 HB THR 53 HB THR 53 2.360 3.254 10.988 397 HG1 THR 53 1HG THR 53 1.643 5.476 11.459 398 1HG2 THR 53 1HG2 THR 53 4.759 4.570 9.828 399 2HG2 THR 53 2HG2 THR 53 4.504 2.889 10.303 400 3HG2 THR 53 3HG2 THR 53 4.744 4.129 11.537 401 H VAL 54 H VAL 54 1.186 2.691 7.822 402 HA VAL 54 HA VAL 54 -1.557 3.211 8.755 403 HB VAL 54 HB VAL 54 -0.663 1.901 6.171 404 1HG1 VAL 54 1HG1 VAL 54 -3.051 2.035 5.557 405 2HG1 VAL 54 2HG1 VAL 54 -3.420 2.590 7.190 406 3HG1 VAL 54 3HG1 VAL 54 -2.766 0.971 6.935 407 1HG2 VAL 54 1HG2 VAL 54 -0.563 4.543 6.723 408 2HG2 VAL 54 2HG2 VAL 54 -2.220 4.401 6.138 409 3HG2 VAL 54 3HG2 VAL 54 -0.879 3.883 5.117 410 H THR 55 H THR 55 -2.086 1.827 10.314 411 HA THR 55 HA THR 55 -1.076 -0.920 10.191 412 HB THR 55 HB THR 55 -2.437 0.491 12.488 413 HG1 THR 55 1HG THR 55 -0.303 1.289 11.817 414 1HG2 THR 55 1HG2 THR 55 -2.570 -1.969 12.587 415 2HG2 THR 55 2HG2 THR 55 -1.590 -1.273 13.879 416 3HG2 THR 55 3HG2 THR 55 -0.809 -2.039 12.493 417 H GLU 56 H GLU 56 -2.362 -2.456 9.382 418 HA GLU 56 HA GLU 56 -4.922 -2.119 8.486 419 1HB GLU 56 2HB GLU 56 -5.144 -4.544 8.462 420 2HB GLU 56 1HB GLU 56 -3.534 -4.065 7.946 421 1HG GLU 56 2HG GLU 56 -3.311 -5.958 9.352 422 2HG GLU 56 1HG GLU 56 -2.725 -4.561 10.250 423 1H MET 1 1HT MET 1 6.371 18.321 -3.440 424 2H MET 1 2HT MET 1 5.626 19.334 -2.307 425 3H MET 1 3HT MET 1 4.984 17.801 -2.621 426 HA MET 1 HA MET 1 7.735 18.087 -1.618 427 1HB MET 1 2HB MET 1 6.191 19.381 -0.153 428 2HB MET 1 1HB MET 1 5.229 17.926 0.071 429 1HG MET 1 2HG MET 1 6.673 18.293 1.971 430 2HG MET 1 1HG MET 1 7.139 16.823 1.119 431 1HE MET 1 1HE MET 1 9.329 16.890 2.552 432 2HE MET 1 2HE MET 1 9.058 18.476 3.273 433 3HE MET 1 3HE MET 1 10.572 18.135 2.438 434 H GLN 2 H GLN 2 8.489 16.133 -0.681 435 HA GLN 2 HA GLN 2 7.018 13.769 -1.618 436 1HB GLN 2 2HB GLN 2 9.330 14.137 -2.477 437 2HB GLN 2 1HB GLN 2 9.926 14.010 -0.829 438 1HG GLN 2 2HG GLN 2 10.294 11.928 -1.899 439 2HG GLN 2 1HG GLN 2 8.999 11.712 -0.728 440 1HE2 GLN 2 1HE2 GLN 2 7.794 13.412 -3.346 441 2HE2 GLN 2 2HE2 GLN 2 7.123 12.089 -4.225 442 H TYR 3 H TYR 3 6.190 12.343 -0.213 443 HA TYR 3 HA TYR 3 7.085 12.482 2.592 444 1HB TYR 3 2HB TYR 3 4.273 12.087 1.553 445 2HB TYR 3 1HB TYR 3 4.745 11.882 3.236 446 HD1 TYR 3 1HD TYR 3 5.175 13.785 4.646 447 HD2 TYR 3 2HD TYR 3 4.249 14.318 0.528 448 HE1 TYR 3 1HE TYR 3 4.810 16.184 5.046 449 HE2 TYR 3 2HE TYR 3 3.882 16.718 0.916 450 HH TYR 3 HH TYR 3 4.726 18.448 2.679 451 H LYS 4 H LYS 4 7.144 10.529 3.751 452 HA LYS 4 HA LYS 4 7.194 8.151 2.015 453 1HB LYS 4 2HB LYS 4 9.328 8.740 3.094 454 2HB LYS 4 1HB LYS 4 8.563 8.617 4.671 455 1HG LYS 4 2HG LYS 4 8.146 6.244 4.296 456 2HG LYS 4 1HG LYS 4 8.888 6.362 2.700 457 1HD LYS 4 2HD LYS 4 11.004 7.042 3.753 458 2HD LYS 4 1HD LYS 4 10.255 6.873 5.342 459 1HE LYS 4 2HE LYS 4 10.647 4.678 3.310 460 2HE LYS 4 1HE LYS 4 11.584 4.906 4.786 461 1HZ LYS 4 1HZ LYS 4 8.958 3.757 4.426 462 2HZ LYS 4 2HZ LYS 4 9.073 4.830 5.728 463 3HZ LYS 4 3HZ LYS 4 10.101 3.490 5.646 464 H VAL 5 H VAL 5 5.275 7.159 2.134 465 HA VAL 5 HA VAL 5 3.905 6.972 4.704 466 HB VAL 5 HB VAL 5 2.986 6.163 1.941 467 1HG1 VAL 5 1HG1 VAL 5 1.574 6.132 4.600 468 2HG1 VAL 5 2HG1 VAL 5 1.856 4.777 3.506 469 3HG1 VAL 5 3HG1 VAL 5 0.731 6.058 3.050 470 1HG2 VAL 5 1HG2 VAL 5 2.809 8.658 3.503 471 2HG2 VAL 5 2HG2 VAL 5 1.336 8.150 2.678 472 3HG2 VAL 5 3HG2 VAL 5 2.818 8.408 1.758 473 H ILE 6 H ILE 6 3.874 5.187 5.892 474 HA ILE 6 HA ILE 6 5.025 2.740 4.726 475 HB ILE 6 HB ILE 6 4.925 3.551 7.638 476 1HG1 ILE 6 2HG1 ILE 6 7.266 3.407 5.727 477 2HG1 ILE 6 1HG1 ILE 6 6.494 4.893 6.267 478 1HG2 ILE 6 1HG2 ILE 6 4.898 1.038 6.900 479 2HG2 ILE 6 2HG2 ILE 6 5.968 1.576 8.193 480 3HG2 ILE 6 3HG2 ILE 6 6.605 1.330 6.568 481 1HD1 ILE 6 1HD1 ILE 6 7.090 4.139 8.626 482 2HD1 ILE 6 2HD1 ILE 6 8.409 4.680 7.588 483 3HD1 ILE 6 3HD1 ILE 6 8.143 2.957 7.850 484 H LEU 7 H LEU 7 3.851 0.948 4.644 485 HA LEU 7 HA LEU 7 1.167 1.004 5.847 486 1HB LEU 7 2HB LEU 7 2.071 -0.812 3.620 487 2HB LEU 7 1HB LEU 7 0.432 -0.381 4.076 488 HG LEU 7 HG LEU 7 2.435 1.459 2.786 489 1HD1 LEU 7 1HD1 LEU 7 -0.160 0.512 1.624 490 2HD1 LEU 7 2HD1 LEU 7 1.327 -0.415 1.427 491 3HD1 LEU 7 3HD1 LEU 7 1.226 1.232 0.807 492 1HD2 LEU 7 1HD2 LEU 7 -0.468 2.040 3.259 493 2HD2 LEU 7 2HD2 LEU 7 0.842 3.158 2.872 494 3HD2 LEU 7 3HD2 LEU 7 0.752 2.424 4.472 495 H ASN 8 H ASN 8 1.651 0.164 7.876 496 HA ASN 8 HA ASN 8 3.048 -2.395 8.015 497 1HB ASN 8 2HB ASN 8 2.100 -0.579 10.240 498 2HB ASN 8 1HB ASN 8 3.093 -2.020 10.439 499 1HD2 ASN 8 1HD2 ASN 8 5.171 -1.658 10.633 500 2HD2 ASN 8 2HD2 ASN 8 6.034 -0.297 10.012 501 H GLY 9 H GLY 9 1.776 -4.118 7.659 502 1HA GLY 9 2HA GLY 9 -0.881 -4.150 8.950 503 2HA GLY 9 1HA GLY 9 -0.465 -5.060 7.505 504 H LYS 10 H LYS 10 -1.543 -6.672 9.066 505 HA LYS 10 HA LYS 10 0.170 -7.711 11.120 506 1HB LYS 10 2HB LYS 10 -2.369 -8.779 9.875 507 2HB LYS 10 1HB LYS 10 -1.529 -9.561 11.207 508 1HG LYS 10 2HG LYS 10 -1.936 -7.694 12.645 509 2HG LYS 10 1HG LYS 10 -2.599 -6.753 11.309 510 1HD LYS 10 2HD LYS 10 -4.379 -7.661 12.716 511 2HD LYS 10 1HD LYS 10 -4.441 -8.347 11.094 512 1HE LYS 10 2HE LYS 10 -3.281 -10.351 11.907 513 2HE LYS 10 1HE LYS 10 -3.244 -9.664 13.530 514 1HZ LYS 10 1HZ LYS 10 -5.115 -10.896 13.707 515 2HZ LYS 10 2HZ LYS 10 -5.474 -10.829 12.056 516 3HZ LYS 10 3HZ LYS 10 -5.829 -9.508 13.052 517 H THR 11 H THR 11 -1.034 -8.906 8.000 518 HA THR 11 HA THR 11 1.151 -10.841 7.877 519 HB THR 11 HB THR 11 -0.320 -11.607 5.861 520 HG1 THR 11 1HG THR 11 -2.584 -11.081 6.423 521 1HG2 THR 11 1HG2 THR 11 -0.173 -12.501 8.408 522 2HG2 THR 11 2HG2 THR 11 -1.168 -13.234 7.149 523 3HG2 THR 11 3HG2 THR 11 -1.884 -12.095 8.290 524 H LEU 12 H LEU 12 0.607 -7.755 6.939 525 HA LEU 12 HA LEU 12 2.360 -8.064 4.618 526 1HB LEU 12 2HB LEU 12 0.113 -7.813 3.743 527 2HB LEU 12 1HB LEU 12 -0.131 -6.368 4.709 528 HG LEU 12 HG LEU 12 1.496 -5.160 3.412 529 1HD1 LEU 12 1HD1 LEU 12 3.192 -6.297 2.545 530 2HD1 LEU 12 2HD1 LEU 12 2.098 -6.813 1.259 531 3HD1 LEU 12 3HD1 LEU 12 2.326 -7.820 2.686 532 1HD2 LEU 12 1HD2 LEU 12 0.014 -4.717 1.810 533 2HD2 LEU 12 2HD2 LEU 12 -0.946 -6.041 2.471 534 3HD2 LEU 12 3HD2 LEU 12 0.154 -6.336 1.126 535 H LYS 13 H LYS 13 3.892 -6.535 4.371 536 HA LYS 13 HA LYS 13 3.817 -4.117 6.007 537 1HB LYS 13 2HB LYS 13 6.076 -6.125 6.115 538 2HB LYS 13 1HB LYS 13 6.107 -4.530 6.854 539 1HG LYS 13 2HG LYS 13 4.346 -5.128 8.366 540 2HG LYS 13 1HG LYS 13 4.115 -6.675 7.550 541 1HD LYS 13 2HD LYS 13 6.634 -5.826 8.977 542 2HD LYS 13 1HD LYS 13 5.394 -6.884 9.652 543 1HE LYS 13 2HE LYS 13 5.776 -8.466 7.800 544 2HE LYS 13 1HE LYS 13 7.060 -7.420 7.195 545 1HZ LYS 13 1HZ LYS 13 7.367 -8.116 9.966 546 2HZ LYS 13 2HZ LYS 13 8.487 -8.196 8.702 547 3HZ LYS 13 3HZ LYS 13 7.391 -9.461 8.939 548 H GLY 14 H GLY 14 4.954 -2.394 5.101 549 1HA GLY 14 2HA GLY 14 6.943 -2.705 3.109 550 2HA GLY 14 1HA GLY 14 5.389 -2.424 2.344 551 H GLU 15 H GLU 15 6.841 -0.591 1.577 552 HA GLU 15 HA GLU 15 6.222 1.755 3.207 553 1HB GLU 15 2HB GLU 15 8.927 1.239 1.951 554 2HB GLU 15 1HB GLU 15 8.435 2.744 2.712 555 1HG GLU 15 2HG GLU 15 9.734 1.636 4.307 556 2HG GLU 15 1HG GLU 15 8.066 1.396 4.822 557 H THR 16 H THR 16 5.964 3.687 1.993 558 HA THR 16 HA THR 16 6.155 3.543 -0.891 559 HB THR 16 HB THR 16 4.029 2.647 -0.858 560 HG1 THR 16 1HG THR 16 3.436 5.389 -0.684 561 1HG2 THR 16 1HG2 THR 16 3.342 4.398 1.483 562 2HG2 THR 16 2HG2 THR 16 3.568 2.652 1.497 563 3HG2 THR 16 3HG2 THR 16 2.205 3.359 0.627 564 H THR 17 H THR 17 5.473 5.679 -1.911 565 HA THR 17 HA THR 17 5.721 7.939 -0.069 566 HB THR 17 HB THR 17 7.492 8.957 -1.460 567 HG1 THR 17 1HG THR 17 7.021 7.665 -3.348 568 1HG2 THR 17 1HG2 THR 17 7.847 7.061 0.470 569 2HG2 THR 17 2HG2 THR 17 9.117 8.057 -0.241 570 3HG2 THR 17 3HG2 THR 17 8.813 6.436 -0.865 571 H THR 18 H THR 18 4.262 9.395 -0.509 572 HA THR 18 HA THR 18 3.223 9.680 -3.270 573 HB THR 18 HB THR 18 1.560 9.019 -1.535 574 HG1 THR 18 1HG THR 18 0.971 10.323 -3.348 575 1HG2 THR 18 1HG2 THR 18 1.719 9.917 0.487 576 2HG2 THR 18 2HG2 THR 18 0.955 11.344 -0.213 577 3HG2 THR 18 3HG2 THR 18 2.711 11.255 -0.089 578 H GLU 19 H GLU 19 3.089 11.760 -4.171 579 HA GLU 19 HA GLU 19 4.691 13.793 -2.770 580 1HB GLU 19 2HB GLU 19 5.531 12.999 -4.973 581 2HB GLU 19 1HB GLU 19 4.060 13.602 -5.722 582 1HG GLU 19 2HG GLU 19 5.872 15.399 -4.151 583 2HG GLU 19 1HG GLU 19 6.162 15.045 -5.852 584 H ALA 20 H ALA 20 3.597 15.424 -1.871 585 HA ALA 20 HA ALA 20 1.360 16.607 -3.303 586 1HB ALA 20 1HB ALA 20 0.880 15.941 -0.436 587 2HB ALA 20 2HB ALA 20 0.603 14.719 -1.679 588 3HB ALA 20 3HB ALA 20 -0.279 16.247 -1.731 589 H VAL 21 H VAL 21 0.817 18.683 -2.632 590 HA VAL 21 HA VAL 21 2.855 20.403 -1.976 591 HB VAL 21 HB VAL 21 -0.044 20.921 -1.314 592 1HG1 VAL 21 1HG1 VAL 21 2.191 22.795 -2.079 593 2HG1 VAL 21 2HG1 VAL 21 1.528 22.585 -0.459 594 3HG1 VAL 21 3HG1 VAL 21 0.520 23.251 -1.744 595 1HG2 VAL 21 1HG2 VAL 21 1.409 20.889 -3.931 596 2HG2 VAL 21 2HG2 VAL 21 0.036 21.965 -3.680 597 3HG2 VAL 21 3HG2 VAL 21 -0.171 20.220 -3.520 598 H ASP 22 H ASP 22 0.863 18.559 0.186 599 HA ASP 22 HA ASP 22 2.554 19.315 2.409 600 1HB ASP 22 2HB ASP 22 0.570 19.892 3.876 601 2HB ASP 22 1HB ASP 22 1.011 21.094 2.669 602 H ALA 23 H ALA 23 1.721 18.173 4.500 603 HA ALA 23 HA ALA 23 1.771 15.424 4.018 604 1HB ALA 23 1HB ALA 23 2.510 15.822 6.122 605 2HB ALA 23 2HB ALA 23 0.827 15.479 6.522 606 3HB ALA 23 3HB ALA 23 1.377 17.148 6.384 607 H ALA 24 H ALA 24 -0.934 17.574 4.759 608 HA ALA 24 HA ALA 24 -2.902 15.566 4.968 609 1HB ALA 24 1HB ALA 24 -2.943 18.509 4.487 610 2HB ALA 24 2HB ALA 24 -3.675 17.570 5.787 611 3HB ALA 24 3HB ALA 24 -4.414 17.586 4.186 612 H THR 25 H THR 25 -2.094 17.701 2.215 613 HA THR 25 HA THR 25 -3.770 16.562 0.335 614 HB THR 25 HB THR 25 -2.033 17.308 -1.343 615 HG1 THR 25 1HG THR 25 -0.581 17.583 0.989 616 1HG2 THR 25 1HG2 THR 25 -3.694 18.898 -0.801 617 2HG2 THR 25 2HG2 THR 25 -2.138 19.727 -0.762 618 3HG2 THR 25 3HG2 THR 25 -2.928 19.262 0.744 619 H ALA 26 H ALA 26 -0.503 15.625 1.328 620 HA ALA 26 HA ALA 26 -0.179 13.471 -0.455 621 1HB ALA 26 1HB ALA 26 1.236 12.688 1.742 622 2HB ALA 26 2HB ALA 26 1.126 14.430 1.994 623 3HB ALA 26 3HB ALA 26 1.832 13.797 0.506 624 H GLU 27 H GLU 27 -1.294 13.547 2.945 625 HA GLU 27 HA GLU 27 -1.904 10.884 3.263 626 1HB GLU 27 2HB GLU 27 -1.950 12.514 5.087 627 2HB GLU 27 1HB GLU 27 -3.371 13.275 4.380 628 1HG GLU 27 2HG GLU 27 -4.644 11.223 4.729 629 2HG GLU 27 1HG GLU 27 -3.224 10.463 5.444 630 H LYS 28 H LYS 28 -3.963 13.487 2.005 631 HA LYS 28 HA LYS 28 -6.254 11.912 1.560 632 1HB LYS 28 2HB LYS 28 -5.340 14.419 0.132 633 2HB LYS 28 1HB LYS 28 -6.956 13.731 0.031 634 1HG LYS 28 2HG LYS 28 -5.629 14.853 2.488 635 2HG LYS 28 1HG LYS 28 -6.958 15.572 1.575 636 1HD LYS 28 2HD LYS 28 -8.373 13.656 2.137 637 2HD LYS 28 1HD LYS 28 -7.043 12.941 3.050 638 1HE LYS 28 2HE LYS 28 -8.623 14.063 4.535 639 2HE LYS 28 1HE LYS 28 -7.046 14.853 4.568 640 1HZ LYS 28 1HZ LYS 28 -9.331 15.788 2.919 641 2HZ LYS 28 2HZ LYS 28 -7.864 16.589 3.177 642 3HZ LYS 28 3HZ LYS 28 -8.960 16.402 4.451 643 H VAL 29 H VAL 29 -3.528 12.781 -0.522 644 HA VAL 29 HA VAL 29 -4.439 11.524 -2.858 645 HB VAL 29 HB VAL 29 -1.593 11.970 -1.929 646 1HG1 VAL 29 1HG1 VAL 29 -1.054 10.665 -3.662 647 2HG1 VAL 29 2HG1 VAL 29 -1.571 12.015 -4.671 648 3HG1 VAL 29 3HG1 VAL 29 -2.692 10.702 -4.313 649 1HG2 VAL 29 1HG2 VAL 29 -2.689 13.651 -4.061 650 2HG2 VAL 29 2HG2 VAL 29 -1.731 14.090 -2.646 651 3HG2 VAL 29 3HG2 VAL 29 -3.474 13.864 -2.498 652 H VAL 30 H VAL 30 -2.634 10.320 -0.087 653 HA VAL 30 HA VAL 30 -2.113 7.741 -1.165 654 HB VAL 30 HB VAL 30 -2.359 8.531 1.742 655 1HG1 VAL 30 1HG1 VAL 30 -2.321 6.036 0.901 656 2HG1 VAL 30 2HG1 VAL 30 -1.382 6.530 2.308 657 3HG1 VAL 30 3HG1 VAL 30 -0.594 6.350 0.742 658 1HG2 VAL 30 1HG2 VAL 30 0.314 8.222 0.583 659 2HG2 VAL 30 2HG2 VAL 30 -0.306 9.438 1.700 660 3HG2 VAL 30 3HG2 VAL 30 -0.597 9.603 -0.032 661 H LYS 31 H LYS 31 -4.616 9.020 1.056 662 HA LYS 31 HA LYS 31 -6.097 6.759 1.520 663 1HB LYS 31 2HB LYS 31 -7.000 9.593 1.037 664 2HB LYS 31 1HB LYS 31 -8.118 8.319 1.501 665 1HG LYS 31 2HG LYS 31 -6.903 7.976 3.571 666 2HG LYS 31 1HG LYS 31 -5.736 9.219 3.105 667 1HD LYS 31 2HD LYS 31 -7.492 10.898 3.099 668 2HD LYS 31 1HD LYS 31 -8.696 9.666 3.480 669 1HE LYS 31 2HE LYS 31 -7.594 9.234 5.612 670 2HE LYS 31 1HE LYS 31 -6.362 10.434 5.231 671 1HZ LYS 31 1HZ LYS 31 -7.860 12.166 5.470 672 2HZ LYS 31 2HZ LYS 31 -8.313 11.118 6.717 673 3HZ LYS 31 3HZ LYS 31 -9.218 11.172 5.288 674 H GLN 32 H GLN 32 -6.260 8.931 -1.243 675 HA GLN 32 HA GLN 32 -8.333 7.617 -2.623 676 1HB GLN 32 2HB GLN 32 -7.251 9.927 -3.077 677 2HB GLN 32 1HB GLN 32 -6.069 9.027 -4.017 678 1HG GLN 32 2HG GLN 32 -7.847 9.944 -5.413 679 2HG GLN 32 1HG GLN 32 -7.814 8.181 -5.463 680 1HE2 GLN 32 1HE2 GLN 32 -9.673 10.938 -4.838 681 2HE2 GLN 32 2HE2 GLN 32 -11.093 10.149 -4.250 682 H PHE 33 H PHE 33 -4.880 7.113 -2.465 683 HA PHE 33 HA PHE 33 -4.478 5.347 -4.574 684 1HB PHE 33 2HB PHE 33 -2.718 6.381 -3.090 685 2HB PHE 33 1HB PHE 33 -3.154 5.209 -1.854 686 HD1 PHE 33 1HD PHE 33 -2.179 5.312 -5.441 687 HD2 PHE 33 2HD PHE 33 -1.897 3.292 -1.694 688 HE1 PHE 33 1HE PHE 33 -0.626 3.674 -6.423 689 HE2 PHE 33 2HE PHE 33 -0.335 1.673 -2.685 690 HZ PHE 33 HZ PHE 33 0.301 1.872 -5.059 691 H PHE 34 H PHE 34 -4.970 4.494 -1.171 692 HA PHE 34 HA PHE 34 -5.492 1.743 -1.699 693 1HB PHE 34 2HB PHE 34 -6.114 3.363 0.775 694 2HB PHE 34 1HB PHE 34 -6.066 1.600 0.672 695 HD1 PHE 34 1HD PHE 34 -3.776 0.872 -0.703 696 HD2 PHE 34 2HD PHE 34 -4.292 4.215 1.867 697 HE1 PHE 34 1HE PHE 34 -1.351 0.931 -0.307 698 HE2 PHE 34 2HE PHE 34 -1.865 4.279 2.281 699 HZ PHE 34 HZ PHE 34 -0.400 2.635 1.178 700 H ASN 35 H ASN 35 -7.536 4.542 -1.098 701 HA ASN 35 HA ASN 35 -10.031 3.377 -0.873 702 1HB ASN 35 2HB ASN 35 -9.598 5.795 -0.682 703 2HB ASN 35 1HB ASN 35 -9.267 5.877 -2.409 704 1HD2 ASN 35 1HD2 ASN 35 -11.424 6.705 -0.269 705 2HD2 ASN 35 2HD2 ASN 35 -12.892 6.534 -1.164 706 H ASP 36 H ASP 36 -8.059 3.985 -3.679 707 HA ASP 36 HA ASP 36 -10.050 2.865 -5.496 708 1HB ASP 36 2HB ASP 36 -7.372 4.140 -6.083 709 2HB ASP 36 1HB ASP 36 -8.529 3.602 -7.296 710 H ASN 37 H ASN 37 -7.078 1.914 -3.942 711 HA ASN 37 HA ASN 37 -6.555 -0.234 -5.816 712 1HB ASN 37 2HB ASN 37 -5.349 0.376 -3.105 713 2HB ASN 37 1HB ASN 37 -4.836 -0.951 -4.141 714 1HD2 ASN 37 1HD2 ASN 37 -3.590 1.635 -3.096 715 2HD2 ASN 37 2HD2 ASN 37 -2.886 2.329 -4.513 716 H GLY 38 H GLY 38 -7.717 0.121 -2.523 717 1HA GLY 38 2HA GLY 38 -8.170 -1.921 -1.193 718 2HA GLY 38 1HA GLY 38 -9.623 -1.122 -1.749 719 H VAL 39 H VAL 39 -11.086 -2.354 -2.621 720 HA VAL 39 HA VAL 39 -10.524 -5.113 -3.087 721 HB VAL 39 HB VAL 39 -13.085 -3.563 -3.245 722 1HG1 VAL 39 1HG1 VAL 39 -13.872 -6.121 -2.918 723 2HG1 VAL 39 2HG1 VAL 39 -12.459 -6.360 -3.943 724 3HG1 VAL 39 3HG1 VAL 39 -13.776 -5.322 -4.489 725 1HG2 VAL 39 1HG2 VAL 39 -13.252 -3.864 -1.049 726 2HG2 VAL 39 2HG2 VAL 39 -11.567 -4.390 -1.069 727 3HG2 VAL 39 3HG2 VAL 39 -12.865 -5.578 -1.191 728 H ASP 40 H ASP 40 -12.003 -2.641 -5.268 729 HA ASP 40 HA ASP 40 -11.723 -4.532 -7.437 730 1HB ASP 40 2HB ASP 40 -12.930 -1.767 -7.358 731 2HB ASP 40 1HB ASP 40 -12.966 -2.847 -8.750 732 H GLY 41 H GLY 41 -9.267 -3.236 -6.301 733 1HA GLY 41 2HA GLY 41 -8.352 -1.351 -8.248 734 2HA GLY 41 1HA GLY 41 -7.350 -2.202 -7.079 735 H GLU 42 H GLU 42 -6.484 -1.736 -9.706 736 HA GLU 42 HA GLU 42 -6.863 -4.240 -11.154 737 1HB GLU 42 2HB GLU 42 -5.244 -1.783 -11.860 738 2HB GLU 42 1HB GLU 42 -5.506 -3.167 -12.914 739 1HG GLU 42 2HG GLU 42 -7.903 -2.703 -12.931 740 2HG GLU 42 1HG GLU 42 -7.641 -1.316 -11.875 741 H TRP 43 H TRP 43 -5.767 -5.815 -10.029 742 HA TRP 43 HA TRP 43 -2.996 -5.326 -9.258 743 1HB TRP 43 2HB TRP 43 -4.800 -7.685 -8.714 744 2HB TRP 43 1HB TRP 43 -3.186 -7.460 -8.054 745 HD1 TRP 43 HD TRP 43 -6.112 -4.919 -8.169 746 HE1 TRP 43 1HE TRP 43 -6.571 -4.138 -5.758 747 HE3 TRP 43 3HE TRP 43 -2.738 -7.861 -5.744 748 HZ2 TRP 43 2HZ TRP 43 -5.610 -4.713 -3.161 749 HZ3 TRP 43 3HZ TRP 43 -2.559 -7.691 -3.307 750 HH2 TRP 43 HH TRP 43 -3.966 -6.149 -2.033 751 H THR 44 H THR 44 -1.398 -5.851 -10.577 752 HA THR 44 HA THR 44 -1.784 -8.060 -12.481 753 HB THR 44 HB THR 44 0.127 -7.057 -13.720 754 HG1 THR 44 1HG THR 44 0.807 -4.977 -13.097 755 1HG2 THR 44 1HG2 THR 44 -1.147 -5.629 -14.880 756 2HG2 THR 44 2HG2 THR 44 -1.612 -4.712 -13.447 757 3HG2 THR 44 3HG2 THR 44 -2.432 -6.226 -13.830 758 H TYR 45 H TYR 45 -0.423 -9.813 -12.410 759 HA TYR 45 HA TYR 45 1.520 -9.839 -10.201 760 1HB TYR 45 2HB TYR 45 -0.380 -11.431 -10.026 761 2HB TYR 45 1HB TYR 45 0.153 -12.189 -11.522 762 HD1 TYR 45 1HD TYR 45 2.424 -10.984 -8.864 763 HD2 TYR 45 2HD TYR 45 0.562 -14.365 -10.654 764 HE1 TYR 45 1HE TYR 45 3.894 -12.471 -7.569 765 HE2 TYR 45 2HE TYR 45 2.027 -15.861 -9.365 766 HH TYR 45 HH TYR 45 4.747 -15.095 -8.056 767 H ASP 46 H ASP 46 3.593 -10.536 -10.506 768 HA ASP 46 HA ASP 46 4.390 -11.141 -13.276 769 1HB ASP 46 2HB ASP 46 5.085 -8.870 -12.652 770 2HB ASP 46 1HB ASP 46 5.920 -9.508 -11.239 771 H ASP 47 H ASP 47 4.251 -13.385 -12.757 772 HA ASP 47 HA ASP 47 5.369 -14.762 -10.680 773 1HB ASP 47 2HB ASP 47 5.362 -15.581 -13.591 774 2HB ASP 47 1HB ASP 47 5.617 -16.673 -12.234 775 H ALA 48 H ALA 48 7.028 -13.451 -13.494 776 HA ALA 48 HA ALA 48 9.468 -14.689 -13.354 777 1HB ALA 48 1HB ALA 48 10.379 -12.847 -14.542 778 2HB ALA 48 2HB ALA 48 9.143 -11.753 -13.923 779 3HB ALA 48 3HB ALA 48 8.705 -13.023 -15.064 780 H THR 49 H THR 49 8.279 -12.081 -11.307 781 HA THR 49 HA THR 49 10.692 -12.405 -9.651 782 HB THR 49 HB THR 49 10.571 -10.002 -9.096 783 HG1 THR 49 1HG THR 49 8.841 -8.962 -9.608 784 1HG2 THR 49 1HG2 THR 49 10.937 -10.814 -11.940 785 2HG2 THR 49 2HG2 THR 49 12.136 -10.290 -10.755 786 3HG2 THR 49 3HG2 THR 49 11.037 -9.115 -11.480 787 H LYS 50 H LYS 50 7.668 -13.254 -9.647 788 HA LYS 50 HA LYS 50 5.986 -13.533 -8.114 789 1HB LYS 50 2HB LYS 50 8.363 -13.508 -6.253 790 2HB LYS 50 1HB LYS 50 6.759 -14.110 -5.848 791 1HG LYS 50 2HG LYS 50 7.343 -15.479 -8.145 792 2HG LYS 50 1HG LYS 50 8.913 -15.371 -7.348 793 1HD LYS 50 2HD LYS 50 6.395 -16.323 -6.007 794 2HD LYS 50 1HD LYS 50 7.576 -17.398 -6.753 795 1HE LYS 50 2HE LYS 50 7.996 -17.312 -4.389 796 2HE LYS 50 1HE LYS 50 9.304 -16.479 -5.228 797 1HZ LYS 50 1HZ LYS 50 6.995 -14.968 -4.184 798 2HZ LYS 50 2HZ LYS 50 8.563 -14.425 -4.512 799 3HZ LYS 50 3HZ LYS 50 8.272 -15.397 -3.161 800 H THR 51 H THR 51 6.392 -10.847 -8.846 801 HA THR 51 HA THR 51 5.875 -9.418 -6.333 802 HB THR 51 HB THR 51 6.898 -8.385 -8.983 803 HG1 THR 51 1HG THR 51 8.351 -9.568 -7.517 804 1HG2 THR 51 1HG2 THR 51 6.255 -6.366 -8.371 805 2HG2 THR 51 2HG2 THR 51 7.369 -6.487 -7.011 806 3HG2 THR 51 3HG2 THR 51 5.681 -6.955 -6.813 807 H PHE 52 H PHE 52 4.123 -7.969 -6.214 808 HA PHE 52 HA PHE 52 2.124 -8.325 -8.351 809 1HB PHE 52 2HB PHE 52 1.624 -7.880 -5.408 810 2HB PHE 52 1HB PHE 52 0.394 -8.053 -6.655 811 HD1 PHE 52 1HD PHE 52 -0.506 -10.133 -7.078 812 HD2 PHE 52 2HD PHE 52 3.300 -9.864 -5.191 813 HE1 PHE 52 1HE PHE 52 -0.496 -12.572 -6.756 814 HE2 PHE 52 2HE PHE 52 3.316 -12.302 -4.867 815 HZ PHE 52 HZ PHE 52 1.416 -13.660 -5.650 816 H THR 53 H THR 53 2.490 -6.577 -9.500 817 HA THR 53 HA THR 53 2.773 -3.940 -8.369 818 HB THR 53 HB THR 53 2.436 -3.259 -10.864 819 HG1 THR 53 1HG THR 53 1.671 -5.463 -11.347 820 1HG2 THR 53 1HG2 THR 53 4.785 -4.633 -9.672 821 2HG2 THR 53 2HG2 THR 53 4.577 -2.945 -10.150 822 3HG2 THR 53 3HG2 THR 53 4.806 -4.192 -11.381 823 H VAL 54 H VAL 54 1.231 -2.669 -7.714 824 HA VAL 54 HA VAL 54 -1.511 -3.122 -8.688 825 HB VAL 54 HB VAL 54 -0.622 -1.833 -6.090 826 1HG1 VAL 54 1HG1 VAL 54 -3.020 -1.908 -5.512 827 2HG1 VAL 54 2HG1 VAL 54 -3.380 -2.455 -7.149 828 3HG1 VAL 54 3HG1 VAL 54 -2.690 -0.853 -6.885 829 1HG2 VAL 54 1HG2 VAL 54 -0.578 -4.476 -6.642 830 2HG2 VAL 54 2HG2 VAL 54 -2.240 -4.294 -6.080 831 3HG2 VAL 54 3HG2 VAL 54 -0.900 -3.808 -5.041 832 H THR 55 H THR 55 -1.985 -1.725 -10.252 833 HA THR 55 HA THR 55 -0.909 0.997 -10.115 834 HB THR 55 HB THR 55 -2.271 -0.380 -12.432 835 HG1 THR 55 1HG THR 55 -0.166 -1.230 -11.731 836 1HG2 THR 55 1HG2 THR 55 -2.342 2.082 -12.532 837 2HG2 THR 55 2HG2 THR 55 -1.363 1.362 -13.810 838 3HG2 THR 55 3HG2 THR 55 -0.582 2.108 -12.414 839 H GLU 56 H GLU 56 -2.169 2.563 -9.324 840 HA GLU 56 HA GLU 56 -4.748 2.290 -8.466 841 1HB GLU 56 2HB GLU 56 -4.912 4.718 -8.444 842 2HB GLU 56 1HB GLU 56 -3.321 4.202 -7.905 843 1HG GLU 56 2HG GLU 56 -3.033 6.088 -9.307 844 2HG GLU 56 1HG GLU 56 -2.468 4.676 -10.197 Start of MODEL 31 1 1H MET 1 1HT MET 1 7.493 -18.361 4.085 2 2H MET 1 2HT MET 1 6.647 -19.604 3.308 3 3H MET 1 3HT MET 1 5.838 -18.191 3.768 4 HA MET 1 HA MET 1 8.107 -18.073 1.895 5 1HB MET 1 2HB MET 1 6.321 -19.767 1.197 6 2HB MET 1 1HB MET 1 5.224 -18.401 1.061 7 1HG MET 1 2HG MET 1 6.100 -18.952 -1.102 8 2HG MET 1 1HG MET 1 6.727 -17.385 -0.595 9 1HE MET 1 1HE MET 1 9.530 -18.165 -2.591 10 2HE MET 1 2HE MET 1 7.779 -18.199 -2.792 11 3HE MET 1 3HE MET 1 8.712 -19.688 -2.939 12 H GLN 2 H GLN 2 8.474 -16.004 1.309 13 HA GLN 2 HA GLN 2 6.455 -14.004 2.080 14 1HB GLN 2 2HB GLN 2 8.556 -13.801 3.318 15 2HB GLN 2 1HB GLN 2 9.449 -13.691 1.808 16 1HG GLN 2 2HG GLN 2 8.305 -11.602 1.278 17 2HG GLN 2 1HG GLN 2 7.403 -11.714 2.788 18 1HE2 GLN 2 1HE2 GLN 2 9.905 -10.217 1.374 19 2HE2 GLN 2 2HE2 GLN 2 10.884 -9.874 2.756 20 H TYR 3 H TYR 3 5.955 -12.314 0.695 21 HA TYR 3 HA TYR 3 7.031 -12.474 -2.037 22 1HB TYR 3 2HB TYR 3 4.111 -12.206 -1.287 23 2HB TYR 3 1HB TYR 3 4.749 -12.048 -2.919 24 HD1 TYR 3 1HD TYR 3 4.705 -13.908 -4.288 25 HD2 TYR 3 2HD TYR 3 4.772 -14.469 -0.073 26 HE1 TYR 3 1HE TYR 3 4.483 -16.335 -4.613 27 HE2 TYR 3 2HE TYR 3 4.552 -16.898 -0.385 28 HH TYR 3 HH TYR 3 3.824 -18.299 -3.458 29 H LYS 4 H LYS 4 6.984 -10.489 -3.212 30 HA LYS 4 HA LYS 4 6.755 -8.143 -1.443 31 1HB LYS 4 2HB LYS 4 9.017 -8.553 -2.292 32 2HB LYS 4 1HB LYS 4 8.416 -8.496 -3.944 33 1HG LYS 4 2HG LYS 4 7.798 -6.161 -3.655 34 2HG LYS 4 1HG LYS 4 8.349 -6.213 -1.980 35 1HD LYS 4 2HD LYS 4 10.620 -6.725 -2.754 36 2HD LYS 4 1HD LYS 4 10.062 -6.650 -4.427 37 1HE LYS 4 2HE LYS 4 9.427 -4.305 -4.105 38 2HE LYS 4 1HE LYS 4 9.997 -4.382 -2.437 39 1HZ LYS 4 1HZ LYS 4 11.735 -4.904 -4.782 40 2HZ LYS 4 2HZ LYS 4 12.215 -4.700 -3.174 41 3HZ LYS 4 3HZ LYS 4 11.595 -3.388 -4.044 42 H VAL 5 H VAL 5 4.903 -7.110 -1.738 43 HA VAL 5 HA VAL 5 3.691 -7.026 -4.395 44 HB VAL 5 HB VAL 5 2.589 -6.099 -1.736 45 1HG1 VAL 5 1HG1 VAL 5 1.435 -4.820 -3.282 46 2HG1 VAL 5 2HG1 VAL 5 0.406 -6.244 -3.128 47 3HG1 VAL 5 3HG1 VAL 5 1.483 -6.080 -4.515 48 1HG2 VAL 5 1HG2 VAL 5 1.018 -8.160 -2.519 49 2HG2 VAL 5 2HG2 VAL 5 2.389 -8.316 -1.419 50 3HG2 VAL 5 3HG2 VAL 5 2.587 -8.683 -3.132 51 H ILE 6 H ILE 6 3.530 -5.214 -5.580 52 HA ILE 6 HA ILE 6 4.758 -2.770 -4.489 53 HB ILE 6 HB ILE 6 4.734 -3.832 -7.317 54 1HG1 ILE 6 2HG1 ILE 6 7.002 -3.278 -5.395 55 2HG1 ILE 6 1HG1 ILE 6 6.357 -4.869 -5.777 56 1HG2 ILE 6 1HG2 ILE 6 5.473 -1.878 -8.153 57 2HG2 ILE 6 2HG2 ILE 6 6.328 -1.437 -6.675 58 3HG2 ILE 6 3HG2 ILE 6 4.584 -1.205 -6.788 59 1HD1 ILE 6 1HD1 ILE 6 8.285 -4.683 -7.069 60 2HD1 ILE 6 2HD1 ILE 6 7.931 -3.015 -7.522 61 3HD1 ILE 6 3HD1 ILE 6 6.974 -4.336 -8.196 62 H LEU 7 H LEU 7 3.661 -0.894 -4.583 63 HA LEU 7 HA LEU 7 0.998 -0.950 -5.841 64 1HB LEU 7 2HB LEU 7 1.821 0.914 -3.631 65 2HB LEU 7 1HB LEU 7 0.203 0.457 -4.133 66 HG LEU 7 HG LEU 7 2.163 -1.344 -2.731 67 1HD1 LEU 7 1HD1 LEU 7 -0.431 -0.352 -1.622 68 2HD1 LEU 7 2HD1 LEU 7 1.031 0.625 -1.492 69 3HD1 LEU 7 3HD1 LEU 7 0.981 -0.983 -0.773 70 1HD2 LEU 7 1HD2 LEU 7 -0.743 -1.901 -3.200 71 2HD2 LEU 7 2HD2 LEU 7 0.557 -3.025 -2.797 72 3HD2 LEU 7 3HD2 LEU 7 0.466 -2.324 -4.412 73 H ASN 8 H ASN 8 1.192 0.025 -7.784 74 HA ASN 8 HA ASN 8 2.725 2.535 -7.935 75 1HB ASN 8 2HB ASN 8 1.895 0.654 -10.152 76 2HB ASN 8 1HB ASN 8 2.797 2.151 -10.375 77 1HD2 ASN 8 1HD2 ASN 8 4.889 1.900 -10.577 78 2HD2 ASN 8 2HD2 ASN 8 5.835 0.621 -9.905 79 H GLY 9 H GLY 9 1.405 4.242 -7.647 80 1HA GLY 9 2HA GLY 9 -1.201 4.188 -9.044 81 2HA GLY 9 1HA GLY 9 -0.912 5.070 -7.554 82 H LYS 10 H LYS 10 -1.864 6.828 -8.873 83 HA LYS 10 HA LYS 10 -0.310 7.906 -11.016 84 1HB LYS 10 2HB LYS 10 -2.532 9.179 -9.407 85 2HB LYS 10 1HB LYS 10 -1.866 9.809 -10.907 86 1HG LYS 10 2HG LYS 10 -2.627 7.768 -12.065 87 2HG LYS 10 1HG LYS 10 -3.364 7.221 -10.558 88 1HD LYS 10 2HD LYS 10 -4.059 9.740 -12.070 89 2HD LYS 10 1HD LYS 10 -5.025 8.264 -12.006 90 1HE LYS 10 2HE LYS 10 -5.278 8.550 -9.580 91 2HE LYS 10 1HE LYS 10 -4.330 10.034 -9.663 92 1HZ LYS 10 1HZ LYS 10 -6.191 10.576 -11.461 93 2HZ LYS 10 2HZ LYS 10 -6.376 10.937 -9.819 94 3HZ LYS 10 3HZ LYS 10 -7.086 9.544 -10.462 95 H THR 11 H THR 11 -1.020 9.049 -7.708 96 HA THR 11 HA THR 11 1.381 10.729 -7.828 97 HB THR 11 HB THR 11 0.222 11.840 -5.829 98 HG1 THR 11 1HG THR 11 -2.192 11.449 -6.194 99 1HG2 THR 11 1HG2 THR 11 0.237 12.765 -8.175 100 2HG2 THR 11 2HG2 THR 11 -1.105 13.269 -7.148 101 3HG2 THR 11 3HG2 THR 11 -1.352 12.025 -8.375 102 H LEU 12 H LEU 12 0.706 7.753 -6.849 103 HA LEU 12 HA LEU 12 2.504 7.978 -4.556 104 1HB LEU 12 2HB LEU 12 0.263 7.924 -3.623 105 2HB LEU 12 1HB LEU 12 -0.107 6.475 -4.533 106 HG LEU 12 HG LEU 12 1.444 5.188 -3.228 107 1HD1 LEU 12 1HD1 LEU 12 3.258 6.237 -2.489 108 2HD1 LEU 12 2HD1 LEU 12 2.263 6.820 -1.154 109 3HD1 LEU 12 3HD1 LEU 12 2.480 7.810 -2.594 110 1HD2 LEU 12 1HD2 LEU 12 -0.026 4.920 -1.579 111 2HD2 LEU 12 2HD2 LEU 12 -0.885 6.310 -2.246 112 3HD2 LEU 12 3HD2 LEU 12 0.283 6.538 -0.947 113 H LYS 13 H LYS 13 3.937 6.369 -4.328 114 HA LYS 13 HA LYS 13 3.627 3.889 -5.827 115 1HB LYS 13 2HB LYS 13 6.008 5.717 -6.199 116 2HB LYS 13 1HB LYS 13 5.891 4.075 -6.815 117 1HG LYS 13 2HG LYS 13 3.969 4.744 -8.191 118 2HG LYS 13 1HG LYS 13 4.143 6.398 -7.600 119 1HD LYS 13 2HD LYS 13 6.214 4.847 -9.152 120 2HD LYS 13 1HD LYS 13 5.177 6.119 -9.798 121 1HE LYS 13 2HE LYS 13 6.176 7.720 -8.242 122 2HE LYS 13 1HE LYS 13 7.212 6.448 -7.596 123 1HZ LYS 13 1HZ LYS 13 7.307 7.741 -10.245 124 2HZ LYS 13 2HZ LYS 13 7.983 6.207 -10.014 125 3HZ LYS 13 3HZ LYS 13 8.555 7.525 -9.121 126 H GLY 14 H GLY 14 4.895 2.159 -4.976 127 1HA GLY 14 2HA GLY 14 6.885 2.547 -3.000 128 2HA GLY 14 1HA GLY 14 5.342 2.258 -2.222 129 H GLU 15 H GLU 15 6.819 0.477 -1.409 130 HA GLU 15 HA GLU 15 6.242 -1.923 -2.975 131 1HB GLU 15 2HB GLU 15 8.943 -1.317 -1.752 132 2HB GLU 15 1HB GLU 15 8.477 -2.851 -2.467 133 1HG GLU 15 2HG GLU 15 9.743 -1.760 -4.099 134 2HG GLU 15 1HG GLU 15 8.067 -1.575 -4.611 135 H THR 16 H THR 16 5.617 -3.635 -1.765 136 HA THR 16 HA THR 16 5.959 -3.524 1.135 137 HB THR 16 HB THR 16 3.827 -2.631 1.070 138 HG1 THR 16 1HG THR 16 3.259 -5.379 0.938 139 1HG2 THR 16 1HG2 THR 16 3.379 -2.672 -1.284 140 2HG2 THR 16 2HG2 THR 16 2.018 -3.387 -0.418 141 3HG2 THR 16 3HG2 THR 16 3.175 -4.422 -1.249 142 H THR 17 H THR 17 5.206 -5.664 2.160 143 HA THR 17 HA THR 17 5.544 -7.926 0.334 144 HB THR 17 HB THR 17 7.231 -8.929 1.876 145 HG1 THR 17 1HG THR 17 7.106 -6.348 3.018 146 1HG2 THR 17 1HG2 THR 17 7.881 -6.378 0.449 147 2HG2 THR 17 2HG2 THR 17 8.190 -8.040 -0.057 148 3HG2 THR 17 3HG2 THR 17 9.116 -7.335 1.268 149 H THR 18 H THR 18 4.034 -9.369 0.708 150 HA THR 18 HA THR 18 2.892 -9.646 3.422 151 HB THR 18 HB THR 18 1.317 -9.003 1.582 152 HG1 THR 18 1HG THR 18 0.639 -10.244 3.411 153 1HG2 THR 18 1HG2 THR 18 0.593 -10.837 0.045 154 2HG2 THR 18 2HG2 THR 18 2.076 -11.688 0.472 155 3HG2 THR 18 3HG2 THR 18 2.160 -10.119 -0.330 156 H GLU 19 H GLU 19 2.805 -11.689 4.359 157 HA GLU 19 HA GLU 19 4.434 -13.741 3.020 158 1HB GLU 19 2HB GLU 19 5.273 -12.995 5.200 159 2HB GLU 19 1HB GLU 19 3.739 -13.420 5.947 160 1HG GLU 19 2HG GLU 19 4.114 -15.767 5.389 161 2HG GLU 19 1HG GLU 19 5.650 -15.342 4.638 162 H ALA 20 H ALA 20 3.308 -15.346 2.066 163 HA ALA 20 HA ALA 20 1.075 -16.528 3.501 164 1HB ALA 20 1HB ALA 20 0.125 -16.344 0.872 165 2HB ALA 20 2HB ALA 20 0.718 -14.738 1.292 166 3HB ALA 20 3HB ALA 20 -0.494 -15.521 2.304 167 H VAL 21 H VAL 21 0.457 -18.558 2.745 168 HA VAL 21 HA VAL 21 2.449 -20.347 2.154 169 HB VAL 21 HB VAL 21 -0.427 -20.736 1.333 170 1HG1 VAL 21 1HG1 VAL 21 0.209 -23.124 2.089 171 2HG1 VAL 21 2HG1 VAL 21 1.869 -22.576 1.864 172 3HG1 VAL 21 3HG1 VAL 21 0.741 -22.554 0.508 173 1HG2 VAL 21 1HG2 VAL 21 -0.632 -20.056 3.541 174 2HG2 VAL 21 2HG2 VAL 21 0.886 -20.814 4.022 175 3HG2 VAL 21 3HG2 VAL 21 -0.527 -21.812 3.681 176 H ASP 22 H ASP 22 0.711 -18.360 -0.100 177 HA ASP 22 HA ASP 22 2.483 -19.187 -2.218 178 1HB ASP 22 2HB ASP 22 0.597 -19.724 -3.809 179 2HB ASP 22 1HB ASP 22 0.905 -20.930 -2.564 180 H ALA 23 H ALA 23 1.920 -18.005 -4.322 181 HA ALA 23 HA ALA 23 1.913 -15.257 -3.817 182 1HB ALA 23 1HB ALA 23 2.867 -15.583 -5.835 183 2HB ALA 23 2HB ALA 23 1.223 -15.350 -6.430 184 3HB ALA 23 3HB ALA 23 1.857 -16.980 -6.203 185 H ALA 24 H ALA 24 -0.663 -17.442 -4.822 186 HA ALA 24 HA ALA 24 -2.626 -15.449 -5.235 187 1HB ALA 24 1HB ALA 24 -4.162 -17.188 -5.457 188 2HB ALA 24 2HB ALA 24 -3.303 -18.226 -4.318 189 3HB ALA 24 3HB ALA 24 -2.641 -17.947 -5.928 190 H THR 25 H THR 25 -2.082 -17.640 -2.441 191 HA THR 25 HA THR 25 -3.986 -16.506 -0.774 192 HB THR 25 HB THR 25 -2.403 -17.277 1.099 193 HG1 THR 25 1HG THR 25 -0.914 -18.915 0.019 194 1HG2 THR 25 1HG2 THR 25 -3.343 -19.238 -0.972 195 2HG2 THR 25 2HG2 THR 25 -4.221 -18.689 0.457 196 3HG2 THR 25 3HG2 THR 25 -2.768 -19.673 0.639 197 H ALA 26 H ALA 26 -0.635 -15.598 -1.394 198 HA ALA 26 HA ALA 26 -0.479 -13.492 0.470 199 1HB ALA 26 1HB ALA 26 1.018 -14.221 -2.011 200 2HB ALA 26 2HB ALA 26 1.596 -14.076 -0.350 201 3HB ALA 26 3HB ALA 26 1.262 -12.626 -1.297 202 H GLU 27 H GLU 27 -1.323 -13.529 -3.002 203 HA GLU 27 HA GLU 27 -1.819 -10.814 -3.301 204 1HB GLU 27 2HB GLU 27 -1.667 -12.381 -5.185 205 2HB GLU 27 1HB GLU 27 -3.189 -13.110 -4.693 206 1HG GLU 27 2HG GLU 27 -4.343 -11.012 -5.110 207 2HG GLU 27 1HG GLU 27 -2.820 -10.263 -5.586 208 H LYS 28 H LYS 28 -3.990 -13.440 -2.333 209 HA LYS 28 HA LYS 28 -6.325 -11.869 -2.132 210 1HB LYS 28 2HB LYS 28 -5.593 -14.430 -0.701 211 2HB LYS 28 1HB LYS 28 -7.207 -13.732 -0.760 212 1HG LYS 28 2HG LYS 28 -5.611 -14.772 -3.090 213 2HG LYS 28 1HG LYS 28 -7.034 -15.517 -2.361 214 1HD LYS 28 2HD LYS 28 -8.384 -13.589 -3.015 215 2HD LYS 28 1HD LYS 28 -6.960 -12.827 -3.727 216 1HE LYS 28 2HE LYS 28 -8.369 -13.904 -5.425 217 2HE LYS 28 1HE LYS 28 -6.767 -14.634 -5.338 218 1HZ LYS 28 1HZ LYS 28 -8.939 -16.089 -5.392 219 2HZ LYS 28 2HZ LYS 28 -8.897 -15.823 -3.724 220 3HZ LYS 28 3HZ LYS 28 -7.586 -16.564 -4.493 221 H VAL 29 H VAL 29 -3.851 -12.800 0.215 222 HA VAL 29 HA VAL 29 -5.034 -11.642 2.480 223 HB VAL 29 HB VAL 29 -2.100 -12.021 1.850 224 1HG1 VAL 29 1HG1 VAL 29 -3.524 -11.184 4.347 225 2HG1 VAL 29 2HG1 VAL 29 -2.094 -10.481 3.590 226 3HG1 VAL 29 3HG1 VAL 29 -1.980 -12.031 4.423 227 1HG2 VAL 29 1HG2 VAL 29 -3.415 -13.758 3.815 228 2HG2 VAL 29 2HG2 VAL 29 -2.278 -14.155 2.526 229 3HG2 VAL 29 3HG2 VAL 29 -3.991 -13.953 2.160 230 H VAL 30 H VAL 30 -2.909 -10.334 -0.003 231 HA VAL 30 HA VAL 30 -2.470 -7.805 1.152 232 HB VAL 30 HB VAL 30 -2.658 -8.457 -1.793 233 1HG1 VAL 30 1HG1 VAL 30 -0.852 -6.381 -0.659 234 2HG1 VAL 30 2HG1 VAL 30 -2.565 -6.005 -0.822 235 3HG1 VAL 30 3HG1 VAL 30 -1.621 -6.456 -2.241 236 1HG2 VAL 30 1HG2 VAL 30 0.025 -8.273 -0.779 237 2HG2 VAL 30 2HG2 VAL 30 -0.749 -9.589 -1.662 238 3HG2 VAL 30 3HG2 VAL 30 -0.880 -9.510 0.095 239 H LYS 31 H LYS 31 -5.019 -9.044 -1.023 240 HA LYS 31 HA LYS 31 -6.418 -6.757 -1.588 241 1HB LYS 31 2HB LYS 31 -7.692 -9.375 -0.773 242 2HB LYS 31 1HB LYS 31 -8.446 -8.104 -1.722 243 1HG LYS 31 2HG LYS 31 -6.227 -9.950 -2.534 244 2HG LYS 31 1HG LYS 31 -7.845 -9.818 -3.216 245 1HD LYS 31 2HD LYS 31 -7.184 -7.423 -3.835 246 2HD LYS 31 1HD LYS 31 -5.532 -7.937 -3.489 247 1HE LYS 31 2HE LYS 31 -6.041 -8.129 -5.868 248 2HE LYS 31 1HE LYS 31 -5.707 -9.701 -5.147 249 1HZ LYS 31 1HZ LYS 31 -7.868 -9.083 -6.659 250 2HZ LYS 31 2HZ LYS 31 -8.489 -9.004 -5.090 251 3HZ LYS 31 3HZ LYS 31 -7.742 -10.421 -5.632 252 H GLN 32 H GLN 32 -6.790 -8.822 1.250 253 HA GLN 32 HA GLN 32 -8.722 -7.326 2.602 254 1HB GLN 32 2HB GLN 32 -7.977 -9.622 3.242 255 2HB GLN 32 1HB GLN 32 -6.481 -8.930 3.851 256 1HG GLN 32 2HG GLN 32 -7.955 -9.342 5.684 257 2HG GLN 32 1HG GLN 32 -7.776 -7.603 5.465 258 1HE2 GLN 32 1HE2 GLN 32 -9.741 -8.897 3.048 259 2HE2 GLN 32 2HE2 GLN 32 -11.269 -8.533 3.756 260 H PHE 33 H PHE 33 -5.240 -7.002 2.460 261 HA PHE 33 HA PHE 33 -4.747 -5.196 4.496 262 1HB PHE 33 2HB PHE 33 -3.077 -6.350 2.970 263 2HB PHE 33 1HB PHE 33 -3.451 -5.131 1.759 264 HD1 PHE 33 1HD PHE 33 -2.278 -5.492 5.259 265 HD2 PHE 33 2HD PHE 33 -2.212 -3.167 1.682 266 HE1 PHE 33 1HE PHE 33 -0.567 -4.020 6.235 267 HE2 PHE 33 2HE PHE 33 -0.500 -1.702 2.673 268 HZ PHE 33 HZ PHE 33 0.320 -2.137 4.956 269 H PHE 34 H PHE 34 -5.106 -4.319 1.091 270 HA PHE 34 HA PHE 34 -5.611 -1.568 1.598 271 1HB PHE 34 2HB PHE 34 -6.156 -3.180 -0.897 272 2HB PHE 34 1HB PHE 34 -6.098 -1.417 -0.795 273 HD1 PHE 34 1HD PHE 34 -3.867 -0.724 0.711 274 HD2 PHE 34 2HD PHE 34 -4.287 -4.029 -1.919 275 HE1 PHE 34 1HE PHE 34 -1.426 -0.803 0.432 276 HE2 PHE 34 2HE PHE 34 -1.847 -4.113 -2.216 277 HZ PHE 34 HZ PHE 34 -0.421 -2.499 -1.028 278 H ASN 35 H ASN 35 -7.708 -4.329 1.006 279 HA ASN 35 HA ASN 35 -10.165 -3.072 0.693 280 1HB ASN 35 2HB ASN 35 -9.837 -5.499 0.491 281 2HB ASN 35 1HB ASN 35 -9.518 -5.610 2.218 282 1HD2 ASN 35 1HD2 ASN 35 -11.676 -6.478 0.159 283 2HD2 ASN 35 2HD2 ASN 35 -13.147 -6.202 1.022 284 H ASP 36 H ASP 36 -8.292 -3.775 3.552 285 HA ASP 36 HA ASP 36 -10.291 -2.599 5.323 286 1HB ASP 36 2HB ASP 36 -7.689 -4.013 5.920 287 2HB ASP 36 1HB ASP 36 -8.789 -3.389 7.148 288 H ASN 37 H ASN 37 -7.193 -1.774 3.923 289 HA ASN 37 HA ASN 37 -6.663 0.344 5.816 290 1HB ASN 37 2HB ASN 37 -5.411 -0.254 3.124 291 2HB ASN 37 1HB ASN 37 -4.858 1.001 4.225 292 1HD2 ASN 37 1HD2 ASN 37 -3.782 -1.661 3.121 293 2HD2 ASN 37 2HD2 ASN 37 -3.142 -2.429 4.530 294 H GLY 38 H GLY 38 -7.888 0.027 2.568 295 1HA GLY 38 2HA GLY 38 -8.248 2.061 1.183 296 2HA GLY 38 1HA GLY 38 -9.731 1.390 1.822 297 H VAL 39 H VAL 39 -11.064 2.773 2.684 298 HA VAL 39 HA VAL 39 -10.234 5.482 3.089 299 HB VAL 39 HB VAL 39 -12.943 4.215 3.326 300 1HG1 VAL 39 1HG1 VAL 39 -13.182 6.136 4.602 301 2HG1 VAL 39 2HG1 VAL 39 -13.636 6.693 2.990 302 3HG1 VAL 39 3HG1 VAL 39 -12.030 7.048 3.628 303 1HG2 VAL 39 1HG2 VAL 39 -11.350 5.275 1.105 304 2HG2 VAL 39 2HG2 VAL 39 -13.015 5.853 1.168 305 3HG2 VAL 39 3HG2 VAL 39 -12.684 4.122 1.099 306 H ASP 40 H ASP 40 -11.956 3.213 5.326 307 HA ASP 40 HA ASP 40 -11.515 5.118 7.447 308 1HB ASP 40 2HB ASP 40 -12.940 2.459 7.426 309 2HB ASP 40 1HB ASP 40 -12.894 3.568 8.793 310 H GLY 41 H GLY 41 -9.152 3.573 6.383 311 1HA GLY 41 2HA GLY 41 -8.427 1.686 8.401 312 2HA GLY 41 1HA GLY 41 -7.331 2.439 7.250 313 H GLU 42 H GLU 42 -6.611 1.966 9.939 314 HA GLU 42 HA GLU 42 -6.874 4.501 11.341 315 1HB GLU 42 2HB GLU 42 -5.336 2.004 12.083 316 2HB GLU 42 1HB GLU 42 -5.589 3.396 13.126 317 1HG GLU 42 2HG GLU 42 -7.989 2.979 13.113 318 2HG GLU 42 1HG GLU 42 -7.747 1.596 12.046 319 H TRP 43 H TRP 43 -5.704 6.026 10.194 320 HA TRP 43 HA TRP 43 -2.928 5.412 9.523 321 1HB TRP 43 2HB TRP 43 -4.632 7.797 8.802 322 2HB TRP 43 1HB TRP 43 -3.001 7.491 8.217 323 HD1 TRP 43 HD TRP 43 -5.875 4.910 8.342 324 HE1 TRP 43 1HE TRP 43 -6.330 4.106 5.940 325 HE3 TRP 43 3HE TRP 43 -2.642 7.970 5.883 326 HZ2 TRP 43 2HZ TRP 43 -5.418 4.715 3.333 327 HZ3 TRP 43 3HZ TRP 43 -2.476 7.799 3.446 328 HH2 TRP 43 HH TRP 43 -3.838 6.203 2.190 329 H THR 44 H THR 44 -1.350 5.968 10.848 330 HA THR 44 HA THR 44 -1.715 8.314 12.591 331 HB THR 44 HB THR 44 0.042 7.298 14.030 332 HG1 THR 44 1HG THR 44 1.171 5.957 12.770 333 1HG2 THR 44 1HG2 THR 44 -1.288 5.770 15.139 334 2HG2 THR 44 2HG2 THR 44 -2.040 5.193 13.652 335 3HG2 THR 44 3HG2 THR 44 -2.461 6.780 14.294 336 H TYR 45 H TYR 45 -0.187 9.950 12.488 337 HA TYR 45 HA TYR 45 1.818 9.644 10.354 338 1HB TYR 45 2HB TYR 45 0.050 11.357 9.988 339 2HB TYR 45 1HB TYR 45 0.612 12.200 11.426 340 HD1 TYR 45 1HD TYR 45 2.791 10.583 8.905 341 HD2 TYR 45 2HD TYR 45 1.259 14.247 10.428 342 HE1 TYR 45 1HE TYR 45 4.408 11.824 7.529 343 HE2 TYR 45 2HE TYR 45 2.872 15.498 9.057 344 HH TYR 45 HH TYR 45 5.004 15.160 7.952 345 H ASP 46 H ASP 46 3.922 10.292 10.649 346 HA ASP 46 HA ASP 46 4.697 11.015 13.397 347 1HB ASP 46 2HB ASP 46 5.294 8.679 12.923 348 2HB ASP 46 1HB ASP 46 6.179 9.189 11.489 349 H ASP 47 H ASP 47 4.633 13.224 12.694 350 HA ASP 47 HA ASP 47 5.840 14.418 10.565 351 1HB ASP 47 2HB ASP 47 5.851 15.433 13.415 352 2HB ASP 47 1HB ASP 47 6.131 16.418 11.982 353 H ALA 48 H ALA 48 7.410 13.173 13.441 354 HA ALA 48 HA ALA 48 9.893 14.317 13.314 355 1HB ALA 48 1HB ALA 48 10.053 13.000 15.089 356 2HB ALA 48 2HB ALA 48 10.402 11.662 13.995 357 3HB ALA 48 3HB ALA 48 8.744 11.968 14.513 358 H THR 49 H THR 49 8.634 11.748 11.265 359 HA THR 49 HA THR 49 11.148 11.878 9.735 360 HB THR 49 HB THR 49 10.844 9.489 9.164 361 HG1 THR 49 1HG THR 49 9.078 8.518 9.686 362 1HG2 THR 49 1HG2 THR 49 11.667 10.503 11.677 363 2HG2 THR 49 2HG2 THR 49 12.192 9.038 10.848 364 3HG2 THR 49 3HG2 THR 49 10.813 8.985 11.945 365 H LYS 50 H LYS 50 8.243 13.026 9.505 366 HA LYS 50 HA LYS 50 6.741 13.471 7.817 367 1HB LYS 50 2HB LYS 50 9.269 12.977 6.233 368 2HB LYS 50 1HB LYS 50 7.796 13.628 5.532 369 1HG LYS 50 2HG LYS 50 8.920 15.002 7.906 370 2HG LYS 50 1HG LYS 50 9.763 15.180 6.367 371 1HD LYS 50 2HD LYS 50 6.840 15.770 6.843 372 2HD LYS 50 1HD LYS 50 8.124 16.977 6.743 373 1HE LYS 50 2HE LYS 50 7.161 15.133 4.562 374 2HE LYS 50 1HE LYS 50 7.032 16.889 4.616 375 1HZ LYS 50 1HZ LYS 50 9.449 17.026 4.506 376 2HZ LYS 50 2HZ LYS 50 8.827 16.193 3.170 377 3HZ LYS 50 3HZ LYS 50 9.560 15.338 4.432 378 H THR 51 H THR 51 6.787 10.752 8.743 379 HA THR 51 HA THR 51 5.919 9.392 6.284 380 HB THR 51 HB THR 51 7.442 8.187 8.596 381 HG1 THR 51 1HG THR 51 8.628 9.414 6.980 382 1HG2 THR 51 1HG2 THR 51 5.720 6.909 6.718 383 2HG2 THR 51 2HG2 THR 51 6.688 6.201 8.010 384 3HG2 THR 51 3HG2 THR 51 7.389 6.431 6.409 385 H PHE 52 H PHE 52 4.121 8.137 6.384 386 HA PHE 52 HA PHE 52 2.542 8.302 8.869 387 1HB PHE 52 2HB PHE 52 1.496 7.796 6.077 388 2HB PHE 52 1HB PHE 52 0.558 8.171 7.514 389 HD1 PHE 52 1HD PHE 52 -0.230 10.311 7.739 390 HD2 PHE 52 2HD PHE 52 3.305 9.648 5.465 391 HE1 PHE 52 1HE PHE 52 -0.175 12.696 7.132 392 HE2 PHE 52 2HE PHE 52 3.368 12.032 4.861 393 HZ PHE 52 HZ PHE 52 1.628 13.559 5.697 394 H THR 53 H THR 53 1.398 6.425 9.570 395 HA THR 53 HA THR 53 2.282 3.922 8.308 396 HB THR 53 HB THR 53 1.967 2.968 10.700 397 HG1 THR 53 1HG THR 53 2.524 5.668 11.336 398 1HG2 THR 53 1HG2 THR 53 4.277 4.499 9.658 399 2HG2 THR 53 2HG2 THR 53 4.131 2.787 10.061 400 3HG2 THR 53 3HG2 THR 53 4.305 3.984 11.345 401 H VAL 54 H VAL 54 0.749 2.591 7.666 402 HA VAL 54 HA VAL 54 -2.014 3.119 8.531 403 HB VAL 54 HB VAL 54 -1.038 1.684 6.046 404 1HG1 VAL 54 1HG1 VAL 54 -3.792 2.245 7.112 405 2HG1 VAL 54 2HG1 VAL 54 -3.105 0.706 6.594 406 3HG1 VAL 54 3HG1 VAL 54 -3.492 1.945 5.401 407 1HG2 VAL 54 1HG2 VAL 54 -1.386 3.592 4.845 408 2HG2 VAL 54 2HG2 VAL 54 -0.887 4.303 6.380 409 3HG2 VAL 54 3HG2 VAL 54 -2.598 4.211 5.967 410 H THR 55 H THR 55 -2.508 1.836 10.199 411 HA THR 55 HA THR 55 -1.518 -0.915 10.223 412 HB THR 55 HB THR 55 -2.889 0.616 12.432 413 HG1 THR 55 1HG THR 55 -0.141 0.142 11.919 414 1HG2 THR 55 1HG2 THR 55 -3.085 -1.733 12.833 415 2HG2 THR 55 2HG2 THR 55 -1.835 -1.081 13.893 416 3HG2 THR 55 3HG2 THR 55 -1.383 -1.985 12.446 417 H GLU 56 H GLU 56 -2.782 -2.442 9.412 418 HA GLU 56 HA GLU 56 -5.541 -2.046 8.875 419 1HB GLU 56 2HB GLU 56 -4.000 -3.544 7.581 420 2HB GLU 56 1HB GLU 56 -4.016 -4.657 8.941 421 1HG GLU 56 2HG GLU 56 -6.451 -3.820 7.385 422 2HG GLU 56 1HG GLU 56 -5.539 -5.302 7.107 423 1H MET 1 1HT MET 1 7.993 18.226 -3.885 424 2H MET 1 2HT MET 1 7.168 19.489 -3.122 425 3H MET 1 3HT MET 1 6.332 18.097 -3.593 426 HA MET 1 HA MET 1 8.571 17.923 -1.687 427 1HB MET 1 2HB MET 1 6.817 19.660 -1.014 428 2HB MET 1 1HB MET 1 5.685 18.321 -0.894 429 1HG MET 1 2HG MET 1 6.543 18.852 1.281 430 2HG MET 1 1HG MET 1 7.140 17.269 0.782 431 1HE MET 1 1HE MET 1 9.933 17.982 2.819 432 2HE MET 1 2HE MET 1 8.180 18.057 2.994 433 3HE MET 1 3HE MET 1 9.145 19.524 3.155 434 H GLN 2 H GLN 2 8.879 15.847 -1.097 435 HA GLN 2 HA GLN 2 6.821 13.895 -1.896 436 1HB GLN 2 2HB GLN 2 8.935 13.641 -3.105 437 2HB GLN 2 1HB GLN 2 9.804 13.509 -1.583 438 1HG GLN 2 2HG GLN 2 8.602 11.449 -1.069 439 2HG GLN 2 1HG GLN 2 7.724 11.583 -2.592 440 1HE2 GLN 2 1HE2 GLN 2 10.169 10.025 -1.142 441 2HE2 GLN 2 2HE2 GLN 2 11.160 9.659 -2.510 442 H TYR 3 H TYR 3 6.262 12.218 -0.519 443 HA TYR 3 HA TYR 3 7.302 12.351 2.227 444 1HB TYR 3 2HB TYR 3 4.387 12.156 1.435 445 2HB TYR 3 1HB TYR 3 4.999 11.982 3.078 446 HD1 TYR 3 1HD TYR 3 4.981 13.843 4.446 447 HD2 TYR 3 2HD TYR 3 5.121 14.401 0.232 448 HE1 TYR 3 1HE TYR 3 4.813 16.275 4.768 449 HE2 TYR 3 2HE TYR 3 4.957 16.835 0.542 450 HH TYR 3 HH TYR 3 4.219 18.254 3.604 451 H LYS 4 H LYS 4 7.189 10.369 3.402 452 HA LYS 4 HA LYS 4 6.930 8.030 1.629 453 1HB LYS 4 2HB LYS 4 9.188 8.385 2.510 454 2HB LYS 4 1HB LYS 4 8.564 8.342 4.153 455 1HG LYS 4 2HG LYS 4 7.892 6.023 3.855 456 2HG LYS 4 1HG LYS 4 8.469 6.061 2.188 457 1HD LYS 4 2HD LYS 4 10.741 6.517 2.995 458 2HD LYS 4 1HD LYS 4 10.157 6.457 4.659 459 1HE LYS 4 2HE LYS 4 9.470 4.128 4.327 460 2HE LYS 4 1HE LYS 4 10.064 4.191 2.668 461 1HZ LYS 4 1HZ LYS 4 11.782 4.672 5.038 462 2HZ LYS 4 2HZ LYS 4 12.280 4.454 3.437 463 3HZ LYS 4 3HZ LYS 4 11.616 3.159 4.297 464 H VAL 5 H VAL 5 5.049 7.041 1.898 465 HA VAL 5 HA VAL 5 3.798 6.988 4.538 466 HB VAL 5 HB VAL 5 2.711 6.087 1.863 467 1HG1 VAL 5 1HG1 VAL 5 1.505 4.836 3.392 468 2HG1 VAL 5 2HG1 VAL 5 0.513 6.285 3.224 469 3HG1 VAL 5 3HG1 VAL 5 1.568 6.096 4.625 470 1HG2 VAL 5 1HG2 VAL 5 1.180 8.186 2.623 471 2HG2 VAL 5 2HG2 VAL 5 2.568 8.308 1.544 472 3HG2 VAL 5 3HG2 VAL 5 2.753 8.671 3.259 473 H ILE 6 H ILE 6 3.577 5.180 5.720 474 HA ILE 6 HA ILE 6 4.761 2.706 4.646 475 HB ILE 6 HB ILE 6 4.722 3.770 7.472 476 1HG1 ILE 6 2HG1 ILE 6 7.003 3.161 5.584 477 2HG1 ILE 6 1HG1 ILE 6 6.391 4.767 5.956 478 1HG2 ILE 6 1HG2 ILE 6 5.402 1.799 8.319 479 2HG2 ILE 6 2HG2 ILE 6 6.266 1.336 6.853 480 3HG2 ILE 6 3HG2 ILE 6 4.516 1.147 6.943 481 1HD1 ILE 6 1HD1 ILE 6 8.295 4.534 7.274 482 2HD1 ILE 6 2HD1 ILE 6 7.895 2.877 7.723 483 3HD1 ILE 6 3HD1 ILE 6 6.961 4.219 8.384 484 H LEU 7 H LEU 7 3.616 0.858 4.723 485 HA LEU 7 HA LEU 7 0.938 0.979 5.944 486 1HB LEU 7 2HB LEU 7 1.746 -0.905 3.745 487 2HB LEU 7 1HB LEU 7 0.134 -0.409 4.224 488 HG LEU 7 HG LEU 7 2.157 1.345 2.851 489 1HD1 LEU 7 1HD1 LEU 7 -0.446 0.415 1.706 490 2HD1 LEU 7 2HD1 LEU 7 0.993 -0.596 1.597 491 3HD1 LEU 7 3HD1 LEU 7 0.992 1.011 0.876 492 1HD2 LEU 7 1HD2 LEU 7 -0.742 1.971 3.279 493 2HD2 LEU 7 2HD2 LEU 7 0.590 3.063 2.894 494 3HD2 LEU 7 3HD2 LEU 7 0.460 2.365 4.507 495 H ASN 8 H ASN 8 1.081 0.000 7.891 496 HA ASN 8 HA ASN 8 2.550 -2.546 8.061 497 1HB ASN 8 2HB ASN 8 1.737 -0.646 10.268 498 2HB ASN 8 1HB ASN 8 2.598 -2.163 10.501 499 1HD2 ASN 8 1HD2 ASN 8 4.691 -1.964 10.732 500 2HD2 ASN 8 2HD2 ASN 8 5.678 -0.707 10.076 501 H GLY 9 H GLY 9 1.194 -4.221 7.755 502 1HA GLY 9 2HA GLY 9 -1.430 -4.104 9.115 503 2HA GLY 9 1HA GLY 9 -1.141 -4.992 7.629 504 H LYS 10 H LYS 10 -2.154 -6.726 8.934 505 HA LYS 10 HA LYS 10 -0.658 -7.842 11.097 506 1HB LYS 10 2HB LYS 10 -2.887 -9.059 9.457 507 2HB LYS 10 1HB LYS 10 -2.258 -9.707 10.966 508 1HG LYS 10 2HG LYS 10 -2.985 -7.648 12.115 509 2HG LYS 10 1HG LYS 10 -3.687 -7.082 10.598 510 1HD LYS 10 2HD LYS 10 -4.465 -9.583 12.098 511 2HD LYS 10 1HD LYS 10 -5.393 -8.085 12.022 512 1HE LYS 10 2HE LYS 10 -5.618 -8.364 9.592 513 2HE LYS 10 1HE LYS 10 -4.709 -9.872 9.689 514 1HZ LYS 10 1HZ LYS 10 -6.607 -10.368 11.461 515 2HZ LYS 10 2HZ LYS 10 -6.778 -10.726 9.816 516 3HZ LYS 10 3HZ LYS 10 -7.462 -9.314 10.448 517 H THR 11 H THR 11 -1.348 -8.968 7.782 518 HA THR 11 HA THR 11 1.009 -10.707 7.934 519 HB THR 11 HB THR 11 -0.149 -11.787 5.919 520 HG1 THR 11 1HG THR 11 -2.557 -11.338 6.250 521 1HG2 THR 11 1HG2 THR 11 -0.189 -12.712 8.264 522 2HG2 THR 11 2HG2 THR 11 -1.529 -13.182 7.218 523 3HG2 THR 11 3HG2 THR 11 -1.762 -11.935 8.442 524 H LEU 12 H LEU 12 0.421 -7.714 6.946 525 HA LEU 12 HA LEU 12 2.244 -7.983 4.680 526 1HB LEU 12 2HB LEU 12 0.019 -7.876 3.714 527 2HB LEU 12 1HB LEU 12 -0.328 -6.417 4.619 528 HG LEU 12 HG LEU 12 1.272 -5.169 3.336 529 1HD1 LEU 12 1HD1 LEU 12 3.071 -6.261 2.624 530 2HD1 LEU 12 2HD1 LEU 12 2.080 -6.821 1.274 531 3HD1 LEU 12 3HD1 LEU 12 2.253 -7.815 2.717 532 1HD2 LEU 12 1HD2 LEU 12 -0.167 -4.866 1.668 533 2HD2 LEU 12 2HD2 LEU 12 -1.070 -6.234 2.322 534 3HD2 LEU 12 3HD2 LEU 12 0.113 -6.491 1.039 535 H LYS 13 H LYS 13 3.718 -6.410 4.472 536 HA LYS 13 HA LYS 13 3.448 -3.923 5.967 537 1HB LYS 13 2HB LYS 13 5.779 -5.808 6.372 538 2HB LYS 13 1HB LYS 13 5.693 -4.164 6.986 539 1HG LYS 13 2HG LYS 13 3.737 -4.785 8.335 540 2HG LYS 13 1HG LYS 13 3.878 -6.442 7.747 541 1HD LYS 13 2HD LYS 13 5.964 -4.941 9.327 542 2HD LYS 13 1HD LYS 13 4.888 -6.188 9.960 543 1HE LYS 13 2HE LYS 13 5.870 -7.814 8.417 544 2HE LYS 13 1HE LYS 13 6.945 -6.567 7.785 545 1HZ LYS 13 1HZ LYS 13 6.972 -7.861 10.436 546 2HZ LYS 13 2HZ LYS 13 7.688 -6.345 10.214 547 3HZ LYS 13 3HZ LYS 13 8.239 -7.678 9.329 548 H GLY 14 H GLY 14 4.770 -2.225 5.135 549 1HA GLY 14 2HA GLY 14 6.778 -2.660 3.187 550 2HA GLY 14 1HA GLY 14 5.254 -2.335 2.385 551 H GLU 15 H GLU 15 6.786 -0.589 1.595 552 HA GLU 15 HA GLU 15 6.244 1.823 3.153 553 1HB GLU 15 2HB GLU 15 8.946 1.151 1.967 554 2HB GLU 15 1HB GLU 15 8.509 2.698 2.675 555 1HG GLU 15 2HG GLU 15 9.724 1.577 4.327 556 2HG GLU 15 1HG GLU 15 8.037 1.432 4.814 557 H THR 16 H THR 16 5.678 3.551 1.935 558 HA THR 16 HA THR 16 6.059 3.430 -0.960 559 HB THR 16 HB THR 16 3.904 2.590 -0.927 560 HG1 THR 16 1HG THR 16 3.402 5.351 -0.801 561 1HG2 THR 16 1HG2 THR 16 3.425 2.642 1.420 562 2HG2 THR 16 2HG2 THR 16 2.094 3.389 0.537 563 3HG2 THR 16 3HG2 THR 16 3.264 4.396 1.384 564 H THR 17 H THR 17 5.371 5.589 -1.997 565 HA THR 17 HA THR 17 5.739 7.841 -0.165 566 HB THR 17 HB THR 17 7.472 8.802 -1.684 567 HG1 THR 17 1HG THR 17 7.301 6.225 -2.826 568 1HG2 THR 17 1HG2 THR 17 8.040 6.238 -0.248 569 2HG2 THR 17 2HG2 THR 17 8.380 7.892 0.263 570 3HG2 THR 17 3HG2 THR 17 9.309 7.164 -1.048 571 H THR 18 H THR 18 4.270 9.320 -0.559 572 HA THR 18 HA THR 18 3.174 9.623 -3.289 573 HB THR 18 HB THR 18 1.557 9.020 -1.472 574 HG1 THR 18 1HG THR 18 0.937 10.278 -3.311 575 1HG2 THR 18 1HG2 THR 18 0.857 10.871 0.054 576 2HG2 THR 18 2HG2 THR 18 2.367 11.687 -0.350 577 3HG2 THR 18 3HG2 THR 18 2.401 10.117 0.452 578 H GLU 19 H GLU 19 3.151 11.670 -4.229 579 HA GLU 19 HA GLU 19 4.808 13.682 -2.866 580 1HB GLU 19 2HB GLU 19 5.660 12.915 -5.033 581 2HB GLU 19 1HB GLU 19 4.147 13.377 -5.802 582 1HG GLU 19 2HG GLU 19 4.572 15.714 -5.240 583 2HG GLU 19 1HG GLU 19 6.086 15.253 -4.465 584 H ALA 20 H ALA 20 3.709 15.313 -1.927 585 HA ALA 20 HA ALA 20 1.525 16.549 -3.392 586 1HB ALA 20 1HB ALA 20 0.535 16.389 -0.778 587 2HB ALA 20 2HB ALA 20 1.094 14.768 -1.189 588 3HB ALA 20 3HB ALA 20 -0.085 15.580 -2.218 589 H VAL 21 H VAL 21 0.948 18.593 -2.645 590 HA VAL 21 HA VAL 21 2.972 20.334 -2.025 591 HB VAL 21 HB VAL 21 0.096 20.793 -1.247 592 1HG1 VAL 21 1HG1 VAL 21 0.800 23.164 -1.993 593 2HG1 VAL 21 2HG1 VAL 21 2.444 22.577 -1.744 594 3HG1 VAL 21 3HG1 VAL 21 1.297 22.582 -0.405 595 1HG2 VAL 21 1HG2 VAL 21 -0.095 20.116 -3.456 596 2HG2 VAL 21 2HG2 VAL 21 1.449 20.837 -3.916 597 3HG2 VAL 21 3HG2 VAL 21 0.056 21.870 -3.594 598 H ASP 22 H ASP 22 1.156 18.390 0.202 599 HA ASP 22 HA ASP 22 2.917 19.174 2.344 600 1HB ASP 22 2HB ASP 22 1.021 19.757 3.910 601 2HB ASP 22 1HB ASP 22 1.376 20.954 2.669 602 H ALA 23 H ALA 23 2.295 18.005 4.440 603 HA ALA 23 HA ALA 23 2.229 15.259 3.936 604 1HB ALA 23 1HB ALA 23 3.163 15.563 5.968 605 2HB ALA 23 2HB ALA 23 1.506 15.369 6.538 606 3HB ALA 23 3HB ALA 23 2.181 16.984 6.321 607 H ALA 24 H ALA 24 -0.307 17.507 4.904 608 HA ALA 24 HA ALA 24 -2.324 15.562 5.290 609 1HB ALA 24 1HB ALA 24 -3.820 17.338 5.490 610 2HB ALA 24 2HB ALA 24 -2.920 18.354 4.363 611 3HB ALA 24 3HB ALA 24 -2.288 18.060 5.983 612 H THR 25 H THR 25 -1.687 17.738 2.503 613 HA THR 25 HA THR 25 -3.594 16.650 0.810 614 HB THR 25 HB THR 25 -1.968 17.383 -1.040 615 HG1 THR 25 1HG THR 25 -0.453 18.984 0.059 616 1HG2 THR 25 1HG2 THR 25 -2.888 19.366 1.016 617 2HG2 THR 25 2HG2 THR 25 -3.759 18.838 -0.424 618 3HG2 THR 25 3HG2 THR 25 -2.281 19.786 -0.585 619 H ALA 26 H ALA 26 -0.276 15.661 1.477 620 HA ALA 26 HA ALA 26 -0.144 13.550 -0.385 621 1HB ALA 26 1HB ALA 26 1.334 14.244 2.116 622 2HB ALA 26 2HB ALA 26 1.932 14.086 0.465 623 3HB ALA 26 3HB ALA 26 1.550 12.645 1.406 624 H GLU 27 H GLU 27 -1.035 13.610 3.076 625 HA GLU 27 HA GLU 27 -1.602 10.907 3.365 626 1HB GLU 27 2HB GLU 27 -1.439 12.471 5.251 627 2HB GLU 27 1HB GLU 27 -2.935 13.239 4.739 628 1HG GLU 27 2HG GLU 27 -4.146 11.168 5.139 629 2HG GLU 27 1HG GLU 27 -2.647 10.383 5.637 630 H LYS 28 H LYS 28 -3.694 13.585 2.367 631 HA LYS 28 HA LYS 28 -6.064 12.072 2.134 632 1HB LYS 28 2HB LYS 28 -5.251 14.615 0.714 633 2HB LYS 28 1HB LYS 28 -6.880 13.956 0.750 634 1HG LYS 28 2HG LYS 28 -5.294 14.957 3.102 635 2HG LYS 28 1HG LYS 28 -6.689 15.735 2.352 636 1HD LYS 28 2HD LYS 28 -8.092 13.842 2.988 637 2HD LYS 28 1HD LYS 28 -6.697 13.045 3.720 638 1HE LYS 28 2HE LYS 28 -8.104 14.157 5.398 639 2HE LYS 28 1HE LYS 28 -6.483 14.847 5.334 640 1HZ LYS 28 1HZ LYS 28 -8.621 16.355 5.358 641 2HZ LYS 28 2HZ LYS 28 -8.562 16.087 3.689 642 3HZ LYS 28 3HZ LYS 28 -7.245 16.796 4.478 643 H VAL 29 H VAL 29 -3.535 12.942 -0.178 644 HA VAL 29 HA VAL 29 -4.714 11.813 -2.460 645 HB VAL 29 HB VAL 29 -1.781 12.121 -1.787 646 1HG1 VAL 29 1HG1 VAL 29 -3.190 11.318 -4.305 647 2HG1 VAL 29 2HG1 VAL 29 -1.788 10.581 -3.529 648 3HG1 VAL 29 3HG1 VAL 29 -1.624 12.127 -4.359 649 1HG2 VAL 29 1HG2 VAL 29 -3.025 13.888 -3.772 650 2HG2 VAL 29 2HG2 VAL 29 -1.897 14.260 -2.466 651 3HG2 VAL 29 3HG2 VAL 29 -3.619 14.097 -2.124 652 H VAL 30 H VAL 30 -2.657 10.454 0.054 653 HA VAL 30 HA VAL 30 -2.262 7.915 -1.096 654 HB VAL 30 HB VAL 30 -2.476 8.572 1.847 655 1HG1 VAL 30 1HG1 VAL 30 -0.707 6.452 0.737 656 2HG1 VAL 30 2HG1 VAL 30 -2.430 6.118 0.877 657 3HG1 VAL 30 3HG1 VAL 30 -1.496 6.546 2.309 658 1HG2 VAL 30 1HG2 VAL 30 0.215 8.323 0.870 659 2HG2 VAL 30 2HG2 VAL 30 -0.540 9.657 1.742 660 3HG2 VAL 30 3HG2 VAL 30 -0.647 9.581 -0.017 661 H LYS 31 H LYS 31 -4.812 9.216 1.042 662 HA LYS 31 HA LYS 31 -6.274 6.964 1.588 663 1HB LYS 31 2HB LYS 31 -7.472 9.611 0.755 664 2HB LYS 31 1HB LYS 31 -8.270 8.359 1.693 665 1HG LYS 31 2HG LYS 31 -6.019 10.152 2.537 666 2HG LYS 31 1HG LYS 31 -7.650 10.060 3.196 667 1HD LYS 31 2HD LYS 31 -7.055 7.649 3.824 668 2HD LYS 31 1HD LYS 31 -5.387 8.122 3.501 669 1HE LYS 31 2HE LYS 31 -5.923 8.327 5.873 670 2HE LYS 31 1HE LYS 31 -5.542 9.891 5.155 671 1HZ LYS 31 1HZ LYS 31 -7.739 9.325 6.638 672 2HZ LYS 31 2HZ LYS 31 -8.339 9.260 5.059 673 3HZ LYS 31 3HZ LYS 31 -7.566 10.660 5.612 674 H GLN 32 H GLN 32 -6.554 9.036 -1.255 675 HA GLN 32 HA GLN 32 -8.502 7.587 -2.635 676 1HB GLN 32 2HB GLN 32 -7.695 9.864 -3.264 677 2HB GLN 32 1HB GLN 32 -6.206 9.137 -3.851 678 1HG GLN 32 2HG GLN 32 -7.645 9.584 -5.705 679 2HG GLN 32 1HG GLN 32 -7.512 7.842 -5.485 680 1HE2 GLN 32 1HE2 GLN 32 -9.477 9.183 -3.094 681 2HE2 GLN 32 2HE2 GLN 32 -11.005 8.856 -3.823 682 H PHE 33 H PHE 33 -5.033 7.179 -2.443 683 HA PHE 33 HA PHE 33 -4.555 5.361 -4.473 684 1HB PHE 33 2HB PHE 33 -2.880 6.474 -2.922 685 2HB PHE 33 1HB PHE 33 -3.301 5.265 -1.717 686 HD1 PHE 33 1HD PHE 33 -2.070 5.597 -5.200 687 HD2 PHE 33 2HD PHE 33 -2.110 3.271 -1.624 688 HE1 PHE 33 1HE PHE 33 -0.380 4.084 -6.153 689 HE2 PHE 33 2HE PHE 33 -0.422 1.765 -2.588 690 HZ PHE 33 HZ PHE 33 0.442 2.179 -4.862 691 H PHE 34 H PHE 34 -4.983 4.494 -1.072 692 HA PHE 34 HA PHE 34 -5.549 1.756 -1.587 693 1HB PHE 34 2HB PHE 34 -6.088 3.382 0.900 694 2HB PHE 34 1HB PHE 34 -6.071 1.618 0.799 695 HD1 PHE 34 1HD PHE 34 -3.838 0.869 -0.675 696 HD2 PHE 34 2HD PHE 34 -4.214 4.185 1.950 697 HE1 PHE 34 1HE PHE 34 -1.401 0.891 -0.363 698 HE2 PHE 34 2HE PHE 34 -1.779 4.210 2.281 699 HZ PHE 34 HZ PHE 34 -0.375 2.561 1.111 700 H ASN 35 H ASN 35 -7.586 4.568 -1.025 701 HA ASN 35 HA ASN 35 -10.076 3.370 -0.746 702 1HB ASN 35 2HB ASN 35 -9.693 5.789 -0.540 703 2HB ASN 35 1HB ASN 35 -9.348 5.891 -2.262 704 1HD2 ASN 35 1HD2 ASN 35 -11.511 6.812 -0.233 705 2HD2 ASN 35 2HD2 ASN 35 -12.976 6.574 -1.117 706 H ASP 36 H ASP 36 -8.147 4.028 -3.579 707 HA ASP 36 HA ASP 36 -10.150 2.901 -5.379 708 1HB ASP 36 2HB ASP 36 -7.505 4.249 -5.938 709 2HB ASP 36 1HB ASP 36 -8.602 3.654 -7.182 710 H ASN 37 H ASN 37 -7.091 2.001 -3.935 711 HA ASN 37 HA ASN 37 -6.586 -0.130 -5.820 712 1HB ASN 37 2HB ASN 37 -5.359 0.438 -3.110 713 2HB ASN 37 1HB ASN 37 -4.822 -0.830 -4.205 714 1HD2 ASN 37 1HD2 ASN 37 -3.696 1.804 -3.084 715 2HD2 ASN 37 2HD2 ASN 37 -3.017 2.557 -4.484 716 H GLY 38 H GLY 38 -7.850 0.217 -2.589 717 1HA GLY 38 2HA GLY 38 -8.278 -1.809 -1.211 718 2HA GLY 38 1HA GLY 38 -9.735 -1.100 -1.871 719 H VAL 39 H VAL 39 -11.089 -2.452 -2.752 720 HA VAL 39 HA VAL 39 -10.320 -5.179 -3.146 721 HB VAL 39 HB VAL 39 -12.993 -3.847 -3.420 722 1HG1 VAL 39 1HG1 VAL 39 -13.261 -5.763 -4.700 723 2HG1 VAL 39 2HG1 VAL 39 -13.751 -6.307 -3.096 724 3HG1 VAL 39 3HG1 VAL 39 -12.145 -6.702 -3.709 725 1HG2 VAL 39 1HG2 VAL 39 -11.458 -4.946 -1.177 726 2HG2 VAL 39 2HG2 VAL 39 -13.136 -5.483 -1.262 727 3HG2 VAL 39 3HG2 VAL 39 -12.764 -3.761 -1.190 728 H ASP 40 H ASP 40 -11.953 -2.870 -5.406 729 HA ASP 40 HA ASP 40 -11.530 -4.786 -7.522 730 1HB ASP 40 2HB ASP 40 -12.889 -2.093 -7.520 731 2HB ASP 40 1HB ASP 40 -12.853 -3.203 -8.886 732 H GLY 41 H GLY 41 -9.145 -3.297 -6.423 733 1HA GLY 41 2HA GLY 41 -8.348 -1.430 -8.430 734 2HA GLY 41 1HA GLY 41 -7.284 -2.208 -7.264 735 H GLU 42 H GLU 42 -6.516 -1.755 -9.943 736 HA GLU 42 HA GLU 42 -6.821 -4.283 -11.348 737 1HB GLU 42 2HB GLU 42 -5.212 -1.823 -12.068 738 2HB GLU 42 1HB GLU 42 -5.485 -3.209 -13.115 739 1HG GLU 42 2HG GLU 42 -7.872 -2.735 -13.136 740 2HG GLU 42 1HG GLU 42 -7.612 -1.356 -12.066 741 H TRP 43 H TRP 43 -5.704 -5.835 -10.185 742 HA TRP 43 HA TRP 43 -2.924 -5.288 -9.473 743 1HB TRP 43 2HB TRP 43 -4.695 -7.631 -8.778 744 2HB TRP 43 1HB TRP 43 -3.067 -7.366 -8.171 745 HD1 TRP 43 HD TRP 43 -5.874 -4.715 -8.336 746 HE1 TRP 43 1HE TRP 43 -6.343 -3.900 -5.940 747 HE3 TRP 43 3HE TRP 43 -2.751 -7.853 -5.832 748 HZ2 TRP 43 2HZ TRP 43 -5.484 -4.529 -3.322 749 HZ3 TRP 43 3HZ TRP 43 -2.617 -7.684 -3.392 750 HH2 TRP 43 HH TRP 43 -3.957 -6.056 -2.157 751 H THR 44 H THR 44 -1.342 -5.882 -10.777 752 HA THR 44 HA THR 44 -1.740 -8.219 -12.525 753 HB THR 44 HB THR 44 0.063 -7.248 -13.941 754 HG1 THR 44 1HG THR 44 1.206 -5.934 -12.663 755 1HG2 THR 44 1HG2 THR 44 -1.214 -5.687 -15.067 756 2HG2 THR 44 2HG2 THR 44 -1.972 -5.091 -13.590 757 3HG2 THR 44 3HG2 THR 44 -2.423 -6.669 -14.240 758 H TYR 45 H TYR 45 -0.252 -9.893 -12.402 759 HA TYR 45 HA TYR 45 1.731 -9.634 -10.239 760 1HB TYR 45 2HB TYR 45 -0.084 -11.303 -9.899 761 2HB TYR 45 1HB TYR 45 0.477 -12.160 -11.329 762 HD1 TYR 45 1HD TYR 45 2.658 -10.597 -8.777 763 HD2 TYR 45 2HD TYR 45 1.060 -14.224 -10.323 764 HE1 TYR 45 1HE TYR 45 4.225 -11.876 -7.379 765 HE2 TYR 45 2HE TYR 45 2.622 -15.513 -8.929 766 HH TYR 45 HH TYR 45 4.746 -15.227 -7.794 767 H ASP 46 H ASP 46 3.821 -10.334 -10.506 768 HA ASP 46 HA ASP 46 4.617 -11.075 -13.242 769 1HB ASP 46 2HB ASP 46 5.264 -8.754 -12.760 770 2HB ASP 46 1HB ASP 46 6.116 -9.286 -11.313 771 H ASP 47 H ASP 47 4.490 -13.282 -12.540 772 HA ASP 47 HA ASP 47 5.636 -14.504 -10.394 773 1HB ASP 47 2HB ASP 47 5.664 -15.521 -13.245 774 2HB ASP 47 1HB ASP 47 5.899 -16.511 -11.809 775 H ALA 48 H ALA 48 7.277 -13.300 -13.248 776 HA ALA 48 HA ALA 48 9.729 -14.503 -13.085 777 1HB ALA 48 1HB ALA 48 9.948 -13.191 -14.859 778 2HB ALA 48 2HB ALA 48 10.312 -11.861 -13.760 779 3HB ALA 48 3HB ALA 48 8.655 -12.128 -14.300 780 H THR 49 H THR 49 8.505 -11.903 -11.054 781 HA THR 49 HA THR 49 10.993 -12.094 -9.488 782 HB THR 49 HB THR 49 10.738 -9.700 -8.923 783 HG1 THR 49 1HG THR 49 9.004 -8.685 -9.467 784 1HG2 THR 49 1HG2 THR 49 11.573 -10.733 -11.423 785 2HG2 THR 49 2HG2 THR 49 12.122 -9.281 -10.587 786 3HG2 THR 49 3HG2 THR 49 10.759 -9.194 -11.703 787 H LYS 50 H LYS 50 8.057 -13.172 -9.300 788 HA LYS 50 HA LYS 50 6.521 -13.580 -7.634 789 1HB LYS 50 2HB LYS 50 9.038 -13.148 -6.014 790 2HB LYS 50 1HB LYS 50 7.539 -13.762 -5.334 791 1HG LYS 50 2HG LYS 50 8.663 -15.163 -7.693 792 2HG LYS 50 1HG LYS 50 9.480 -15.361 -6.142 793 1HD LYS 50 2HD LYS 50 6.551 -15.880 -6.659 794 2HD LYS 50 1HD LYS 50 7.803 -17.118 -6.541 795 1HE LYS 50 2HE LYS 50 6.855 -15.251 -4.374 796 2HE LYS 50 1HE LYS 50 6.684 -17.004 -4.429 797 1HZ LYS 50 1HZ LYS 50 9.094 -17.199 -4.286 798 2HZ LYS 50 2HZ LYS 50 8.475 -16.350 -2.959 799 3HZ LYS 50 3HZ LYS 50 9.246 -15.513 -4.209 800 H THR 51 H THR 51 6.646 -10.864 -8.559 801 HA THR 51 HA THR 51 5.778 -9.482 -6.111 802 HB THR 51 HB THR 51 7.363 -8.314 -8.402 803 HG1 THR 51 1HG THR 51 8.495 -9.569 -6.770 804 1HG2 THR 51 1HG2 THR 51 5.644 -6.995 -6.548 805 2HG2 THR 51 2HG2 THR 51 6.648 -6.310 -7.828 806 3HG2 THR 51 3HG2 THR 51 7.322 -6.558 -6.216 807 H PHE 52 H PHE 52 4.012 -8.183 -6.237 808 HA PHE 52 HA PHE 52 2.464 -8.310 -8.745 809 1HB PHE 52 2HB PHE 52 1.392 -7.778 -5.968 810 2HB PHE 52 1HB PHE 52 0.464 -8.131 -7.418 811 HD1 PHE 52 1HD PHE 52 -0.371 -10.251 -7.655 812 HD2 PHE 52 2HD PHE 52 3.146 -9.674 -5.330 813 HE1 PHE 52 1HE PHE 52 -0.383 -12.637 -7.047 814 HE2 PHE 52 2HE PHE 52 3.143 -12.058 -4.724 815 HZ PHE 52 HZ PHE 52 1.378 -13.543 -5.586 816 H THR 53 H THR 53 1.376 -6.406 -9.460 817 HA THR 53 HA THR 53 2.304 -3.925 -8.186 818 HB THR 53 HB THR 53 2.045 -2.964 -10.583 819 HG1 THR 53 1HG THR 53 2.546 -5.677 -11.212 820 1HG2 THR 53 1HG2 THR 53 4.302 -4.550 -9.509 821 2HG2 THR 53 2HG2 THR 53 4.203 -2.835 -9.913 822 3HG2 THR 53 3HG2 THR 53 4.365 -4.036 -11.195 823 H VAL 54 H VAL 54 0.793 -2.559 -7.564 824 HA VAL 54 HA VAL 54 -1.968 -3.019 -8.470 825 HB VAL 54 HB VAL 54 -0.992 -1.606 -5.971 826 1HG1 VAL 54 1HG1 VAL 54 -3.745 -2.101 -7.077 827 2HG1 VAL 54 2HG1 VAL 54 -3.028 -0.579 -6.548 828 3HG1 VAL 54 3HG1 VAL 54 -3.462 -1.808 -5.361 829 1HG2 VAL 54 1HG2 VAL 54 -1.405 -3.506 -4.776 830 2HG2 VAL 54 2HG2 VAL 54 -0.900 -4.228 -6.303 831 3HG2 VAL 54 3HG2 VAL 54 -2.615 -4.095 -5.915 832 H THR 55 H THR 55 -2.407 -1.723 -10.145 833 HA THR 55 HA THR 55 -1.351 1.003 -10.154 834 HB THR 55 HB THR 55 -2.727 -0.495 -12.383 835 HG1 THR 55 1HG THR 55 0.023 -0.089 -11.832 836 1HG2 THR 55 1HG2 THR 55 -2.860 1.857 -12.786 837 2HG2 THR 55 2HG2 THR 55 -1.611 1.176 -13.829 838 3HG2 THR 55 3HG2 THR 55 -1.158 2.069 -12.376 839 H GLU 56 H GLU 56 -2.589 2.559 -9.361 840 HA GLU 56 HA GLU 56 -5.364 2.231 -8.862 841 1HB GLU 56 2HB GLU 56 -3.805 3.691 -7.548 842 2HB GLU 56 1HB GLU 56 -3.775 4.804 -8.907 843 1HG GLU 56 2HG GLU 56 -6.251 4.027 -7.385 844 2HG GLU 56 1HG GLU 56 -5.308 5.486 -7.096 Start of MODEL 32 1 1H MET 1 1HT MET 1 7.123 -18.335 3.354 2 2H MET 1 2HT MET 1 6.484 -19.504 2.310 3 3H MET 1 3HT MET 1 5.540 -18.178 2.773 4 HA MET 1 HA MET 1 8.084 -17.805 1.336 5 1HB MET 1 2HB MET 1 5.355 -18.409 0.196 6 2HB MET 1 1HB MET 1 6.638 -17.658 -0.741 7 1HG MET 1 2HG MET 1 6.779 -20.365 0.564 8 2HG MET 1 1HG MET 1 6.483 -20.057 -1.147 9 1HE MET 1 1HE MET 1 8.446 -17.558 -1.625 10 2HE MET 1 2HE MET 1 8.271 -18.896 -2.761 11 3HE MET 1 3HE MET 1 9.876 -18.393 -2.233 12 H GLN 2 H GLN 2 8.431 -15.721 0.766 13 HA GLN 2 HA GLN 2 6.434 -13.759 1.663 14 1HB GLN 2 2HB GLN 2 8.610 -13.607 2.794 15 2HB GLN 2 1HB GLN 2 9.414 -13.434 1.240 16 1HG GLN 2 2HG GLN 2 8.242 -11.327 0.864 17 2HG GLN 2 1HG GLN 2 7.430 -11.500 2.418 18 1HE2 GLN 2 1HE2 GLN 2 8.281 -10.292 3.938 19 2HE2 GLN 2 2HE2 GLN 2 9.949 -9.873 4.103 20 H TYR 3 H TYR 3 5.778 -12.113 0.291 21 HA TYR 3 HA TYR 3 6.696 -12.350 -2.497 22 1HB TYR 3 2HB TYR 3 3.903 -11.803 -1.488 23 2HB TYR 3 1HB TYR 3 4.391 -11.673 -3.174 24 HD1 TYR 3 1HD TYR 3 4.650 -13.613 -4.537 25 HD2 TYR 3 2HD TYR 3 3.897 -14.020 -0.368 26 HE1 TYR 3 1HE TYR 3 4.203 -16.011 -4.856 27 HE2 TYR 3 2HE TYR 3 3.450 -16.418 -0.677 28 HH TYR 3 HH TYR 3 4.119 -18.212 -2.381 29 H LYS 4 H LYS 4 6.911 -10.496 -3.710 30 HA LYS 4 HA LYS 4 7.198 -8.035 -2.153 31 1HB LYS 4 2HB LYS 4 9.141 -8.740 -3.448 32 2HB LYS 4 1HB LYS 4 8.174 -8.806 -4.914 33 1HG LYS 4 2HG LYS 4 9.089 -6.782 -5.256 34 2HG LYS 4 1HG LYS 4 7.756 -6.253 -4.229 35 1HD LYS 4 2HD LYS 4 10.556 -6.873 -3.296 36 2HD LYS 4 1HD LYS 4 9.887 -5.260 -3.541 37 1HE LYS 4 2HE LYS 4 8.163 -5.762 -1.844 38 2HE LYS 4 1HE LYS 4 8.935 -7.321 -1.560 39 1HZ LYS 4 1HZ LYS 4 10.591 -6.387 -0.392 40 2HZ LYS 4 2HZ LYS 4 9.499 -5.114 -0.179 41 3HZ LYS 4 3HZ LYS 4 10.685 -5.018 -1.380 42 H VAL 5 H VAL 5 5.284 -6.964 -2.073 43 HA VAL 5 HA VAL 5 3.629 -6.834 -4.476 44 HB VAL 5 HB VAL 5 3.043 -5.837 -1.685 45 1HG1 VAL 5 1HG1 VAL 5 1.165 -6.192 -4.017 46 2HG1 VAL 5 2HG1 VAL 5 1.838 -4.646 -3.504 47 3HG1 VAL 5 3HG1 VAL 5 0.772 -5.545 -2.424 48 1HG2 VAL 5 1HG2 VAL 5 2.755 -8.454 -2.982 49 2HG2 VAL 5 2HG2 VAL 5 1.316 -7.878 -2.138 50 3HG2 VAL 5 3HG2 VAL 5 2.844 -8.036 -1.271 51 H ILE 6 H ILE 6 4.010 -5.256 -5.843 52 HA ILE 6 HA ILE 6 5.192 -2.749 -4.921 53 HB ILE 6 HB ILE 6 4.753 -3.822 -7.709 54 1HG1 ILE 6 2HG1 ILE 6 7.274 -3.399 -6.091 55 2HG1 ILE 6 1HG1 ILE 6 6.516 -4.953 -6.414 56 1HG2 ILE 6 1HG2 ILE 6 4.787 -1.655 -8.295 57 2HG2 ILE 6 2HG2 ILE 6 6.520 -1.784 -7.993 58 3HG2 ILE 6 3HG2 ILE 6 5.454 -1.141 -6.745 59 1HD1 ILE 6 1HD1 ILE 6 6.912 -4.608 -8.820 60 2HD1 ILE 6 2HD1 ILE 6 8.400 -4.636 -7.874 61 3HD1 ILE 6 3HD1 ILE 6 7.744 -3.099 -8.441 62 H LEU 7 H LEU 7 3.944 -1.081 -4.478 63 HA LEU 7 HA LEU 7 1.232 -0.972 -5.587 64 1HB LEU 7 2HB LEU 7 2.315 0.862 -3.467 65 2HB LEU 7 1HB LEU 7 0.651 0.394 -3.768 66 HG LEU 7 HG LEU 7 2.805 -1.331 -2.564 67 1HD1 LEU 7 1HD1 LEU 7 1.329 -1.300 -0.599 68 2HD1 LEU 7 2HD1 LEU 7 0.271 -0.163 -1.430 69 3HD1 LEU 7 3HD1 LEU 7 1.920 0.304 -1.023 70 1HD2 LEU 7 1HD2 LEU 7 1.066 -3.034 -2.324 71 2HD2 LEU 7 2HD2 LEU 7 1.370 -2.657 -4.019 72 3HD2 LEU 7 3HD2 LEU 7 -0.060 -2.010 -3.217 73 H ASN 8 H ASN 8 1.871 -0.272 -7.674 74 HA ASN 8 HA ASN 8 3.260 2.275 -7.894 75 1HB ASN 8 2HB ASN 8 3.853 0.310 -9.324 76 2HB ASN 8 1HB ASN 8 2.271 0.437 -10.082 77 1HD2 ASN 8 1HD2 ASN 8 5.328 0.991 -10.667 78 2HD2 ASN 8 2HD2 ASN 8 5.243 2.419 -11.638 79 H GLY 9 H GLY 9 2.040 4.051 -7.670 80 1HA GLY 9 2HA GLY 9 -0.568 4.071 -9.047 81 2HA GLY 9 1HA GLY 9 -0.249 4.959 -7.566 82 H LYS 10 H LYS 10 -1.179 6.667 -8.983 83 HA LYS 10 HA LYS 10 0.539 7.748 -11.027 84 1HB LYS 10 2HB LYS 10 -1.935 8.936 -9.757 85 2HB LYS 10 1HB LYS 10 -1.181 9.454 -11.258 86 1HG LYS 10 2HG LYS 10 -1.779 7.408 -12.343 87 2HG LYS 10 1HG LYS 10 -2.348 6.715 -10.825 88 1HD LYS 10 2HD LYS 10 -4.212 7.470 -12.221 89 2HD LYS 10 1HD LYS 10 -4.124 8.385 -10.715 90 1HE LYS 10 2HE LYS 10 -3.008 10.210 -11.878 91 2HE LYS 10 1HE LYS 10 -3.062 9.296 -13.384 92 1HZ LYS 10 1HZ LYS 10 -4.839 10.937 -13.256 93 2HZ LYS 10 2HZ LYS 10 -5.433 10.213 -11.848 94 3HZ LYS 10 3HZ LYS 10 -5.468 9.367 -13.313 95 H THR 11 H THR 11 -0.757 8.969 -7.942 96 HA THR 11 HA THR 11 1.463 10.855 -7.749 97 HB THR 11 HB THR 11 -0.020 11.642 -5.756 98 HG1 THR 11 1HG THR 11 -1.370 9.730 -5.936 99 1HG2 THR 11 1HG2 THR 11 -1.110 11.990 -8.536 100 2HG2 THR 11 2HG2 THR 11 0.227 12.915 -7.855 101 3HG2 THR 11 3HG2 THR 11 -1.383 13.043 -7.148 102 H LEU 12 H LEU 12 0.801 7.781 -6.838 103 HA LEU 12 HA LEU 12 2.549 7.999 -4.505 104 1HB LEU 12 2HB LEU 12 0.284 7.831 -3.654 105 2HB LEU 12 1HB LEU 12 -0.010 6.408 -4.638 106 HG LEU 12 HG LEU 12 1.498 5.104 -3.323 107 1HD1 LEU 12 1HD1 LEU 12 3.298 6.155 -2.546 108 2HD1 LEU 12 2HD1 LEU 12 2.285 6.655 -1.189 109 3HD1 LEU 12 3HD1 LEU 12 2.496 7.719 -2.575 110 1HD2 LEU 12 1HD2 LEU 12 0.251 6.451 -1.060 111 2HD2 LEU 12 2HD2 LEU 12 0.045 4.804 -1.655 112 3HD2 LEU 12 3HD2 LEU 12 -0.864 6.126 -2.387 113 H LYS 13 H LYS 13 4.075 6.472 -4.352 114 HA LYS 13 HA LYS 13 3.887 4.041 -5.957 115 1HB LYS 13 2HB LYS 13 6.209 5.970 -6.182 116 2HB LYS 13 1HB LYS 13 6.123 4.382 -6.933 117 1HG LYS 13 2HG LYS 13 4.212 5.121 -8.269 118 2HG LYS 13 1HG LYS 13 4.315 6.716 -7.522 119 1HD LYS 13 2HD LYS 13 6.569 6.997 -8.433 120 2HD LYS 13 1HD LYS 13 6.469 5.401 -9.176 121 1HE LYS 13 2HE LYS 13 6.004 7.179 -10.792 122 2HE LYS 13 1HE LYS 13 4.604 6.136 -10.552 123 1HZ LYS 13 1HZ LYS 13 4.525 8.303 -8.736 124 2HZ LYS 13 2HZ LYS 13 3.408 7.879 -9.933 125 3HZ LYS 13 3HZ LYS 13 4.709 8.891 -10.312 126 H GLY 14 H GLY 14 5.130 2.324 -5.138 127 1HA GLY 14 2HA GLY 14 7.183 2.583 -3.251 128 2HA GLY 14 1HA GLY 14 5.671 2.426 -2.377 129 H GLU 15 H GLU 15 6.794 0.516 -1.532 130 HA GLU 15 HA GLU 15 5.998 -1.823 -3.054 131 1HB GLU 15 2HB GLU 15 8.832 -1.453 -2.065 132 2HB GLU 15 1HB GLU 15 8.176 -2.939 -2.740 133 1HG GLU 15 2HG GLU 15 7.798 -1.809 -4.870 134 2HG GLU 15 1HG GLU 15 8.454 -0.318 -4.194 135 H THR 16 H THR 16 5.468 -3.547 -1.807 136 HA THR 16 HA THR 16 5.988 -3.437 1.059 137 HB THR 16 HB THR 16 3.873 -2.502 1.161 138 HG1 THR 16 1HG THR 16 3.234 -5.232 1.059 139 1HG2 THR 16 1HG2 THR 16 3.292 -4.026 -1.310 140 2HG2 THR 16 2HG2 THR 16 2.961 -2.343 -0.910 141 3HG2 THR 16 3HG2 THR 16 1.955 -3.625 -0.236 142 H THR 17 H THR 17 5.248 -5.568 2.140 143 HA THR 17 HA THR 17 5.453 -7.820 0.276 144 HB THR 17 HB THR 17 7.204 -8.881 1.595 145 HG1 THR 17 1HG THR 17 7.805 -8.123 3.454 146 1HG2 THR 17 1HG2 THR 17 8.743 -7.914 0.361 147 2HG2 THR 17 2HG2 THR 17 8.675 -6.457 1.351 148 3HG2 THR 17 3HG2 THR 17 7.589 -6.642 -0.023 149 H THR 18 H THR 18 4.037 -9.307 0.686 150 HA THR 18 HA THR 18 2.911 -9.589 3.415 151 HB THR 18 HB THR 18 1.291 -8.902 1.647 152 HG1 THR 18 1HG THR 18 0.674 -10.253 3.437 153 1HG2 THR 18 1HG2 THR 18 2.156 -11.460 0.361 154 2HG2 THR 18 2HG2 THR 18 1.970 -9.860 -0.354 155 3HG2 THR 18 3HG2 THR 18 0.545 -10.793 0.102 156 H GLU 19 H GLU 19 2.763 -11.665 4.299 157 HA GLU 19 HA GLU 19 4.370 -13.715 2.920 158 1HB GLU 19 2HB GLU 19 5.236 -13.017 5.105 159 2HB GLU 19 1HB GLU 19 3.699 -13.420 5.856 160 1HG GLU 19 2HG GLU 19 4.026 -15.767 5.270 161 2HG GLU 19 1HG GLU 19 5.567 -15.362 4.516 162 H ALA 20 H ALA 20 3.249 -15.339 1.994 163 HA ALA 20 HA ALA 20 0.963 -16.453 3.403 164 1HB ALA 20 1HB ALA 20 -0.620 -15.617 2.097 165 2HB ALA 20 2HB ALA 20 0.216 -16.185 0.650 166 3HB ALA 20 3HB ALA 20 0.605 -14.607 1.330 167 H VAL 21 H VAL 21 0.364 -18.508 2.742 168 HA VAL 21 HA VAL 21 2.350 -20.304 2.137 169 HB VAL 21 HB VAL 21 -0.550 -20.737 1.427 170 1HG1 VAL 21 1HG1 VAL 21 1.495 -22.725 2.390 171 2HG1 VAL 21 2HG1 VAL 21 1.138 -22.435 0.687 172 3HG1 VAL 21 3HG1 VAL 21 -0.119 -23.053 1.759 173 1HG2 VAL 21 1HG2 VAL 21 0.836 -20.664 4.074 174 2HG2 VAL 21 2HG2 VAL 21 -0.528 -21.753 3.824 175 3HG2 VAL 21 3HG2 VAL 21 -0.737 -20.013 3.610 176 H ASP 22 H ASP 22 0.415 -18.451 -0.087 177 HA ASP 22 HA ASP 22 2.135 -19.279 -2.266 178 1HB ASP 22 2HB ASP 22 0.144 -19.810 -3.754 179 2HB ASP 22 1HB ASP 22 0.557 -21.017 -2.541 180 H ALA 23 H ALA 23 1.450 -18.127 -4.368 181 HA ALA 23 HA ALA 23 1.521 -15.378 -3.911 182 1HB ALA 23 1HB ALA 23 2.111 -15.398 -6.051 183 2HB ALA 23 2HB ALA 23 0.476 -15.865 -6.516 184 3HB ALA 23 3HB ALA 23 1.674 -17.104 -6.145 185 H ALA 24 H ALA 24 -1.192 -17.486 -4.731 186 HA ALA 24 HA ALA 24 -3.102 -15.427 -5.043 187 1HB ALA 24 1HB ALA 24 -3.256 -18.370 -4.532 188 2HB ALA 24 2HB ALA 24 -3.851 -17.434 -5.904 189 3HB ALA 24 3HB ALA 24 -4.711 -17.388 -4.366 190 H THR 25 H THR 25 -2.458 -17.578 -2.250 191 HA THR 25 HA THR 25 -4.186 -16.383 -0.455 192 HB THR 25 HB THR 25 -2.543 -17.171 1.305 193 HG1 THR 25 1HG THR 25 -1.008 -17.491 -0.955 194 1HG2 THR 25 1HG2 THR 25 -2.735 -19.590 0.738 195 2HG2 THR 25 2HG2 THR 25 -3.444 -19.104 -0.800 196 3HG2 THR 25 3HG2 THR 25 -4.254 -18.693 0.711 197 H ALA 26 H ALA 26 -0.847 -15.543 -1.293 198 HA ALA 26 HA ALA 26 -0.552 -13.394 0.498 199 1HB ALA 26 1HB ALA 26 0.716 -13.771 -2.219 200 2HB ALA 26 2HB ALA 26 1.342 -14.395 -0.694 201 3HB ALA 26 3HB ALA 26 1.264 -12.656 -0.968 202 H GLU 27 H GLU 27 -1.540 -13.467 -2.932 203 HA GLU 27 HA GLU 27 -2.053 -10.774 -3.277 204 1HB GLU 27 2HB GLU 27 -2.039 -12.451 -5.088 205 2HB GLU 27 1HB GLU 27 -3.552 -13.103 -4.479 206 1HG GLU 27 2HG GLU 27 -3.406 -10.223 -5.223 207 2HG GLU 27 1HG GLU 27 -3.513 -11.440 -6.492 208 H LYS 28 H LYS 28 -4.179 -13.341 -2.079 209 HA LYS 28 HA LYS 28 -6.473 -11.733 -1.741 210 1HB LYS 28 2HB LYS 28 -5.659 -14.289 -0.352 211 2HB LYS 28 1HB LYS 28 -7.255 -13.562 -0.246 212 1HG LYS 28 2HG LYS 28 -5.933 -14.622 -2.733 213 2HG LYS 28 1HG LYS 28 -7.271 -15.360 -1.849 214 1HD LYS 28 2HD LYS 28 -8.666 -13.410 -2.345 215 2HD LYS 28 1HD LYS 28 -7.327 -12.675 -3.227 216 1HE LYS 28 2HE LYS 28 -8.705 -15.268 -3.921 217 2HE LYS 28 1HE LYS 28 -8.917 -13.728 -4.752 218 1HZ LYS 28 1HZ LYS 28 -6.374 -15.252 -4.575 219 2HZ LYS 28 2HZ LYS 28 -6.591 -13.785 -5.387 220 3HZ LYS 28 3HZ LYS 28 -7.383 -15.177 -5.931 221 H VAL 29 H VAL 29 -3.906 -12.712 0.505 222 HA VAL 29 HA VAL 29 -4.921 -11.491 2.803 223 HB VAL 29 HB VAL 29 -2.017 -11.836 2.024 224 1HG1 VAL 29 1HG1 VAL 29 -2.569 -11.975 4.848 225 2HG1 VAL 29 2HG1 VAL 29 -3.098 -10.432 4.183 226 3HG1 VAL 29 3HG1 VAL 29 -1.427 -10.953 3.976 227 1HG2 VAL 29 1HG2 VAL 29 -3.128 -13.669 3.998 228 2HG2 VAL 29 2HG2 VAL 29 -2.158 -14.000 2.563 229 3HG2 VAL 29 3HG2 VAL 29 -3.903 -13.801 2.419 230 H VAL 30 H VAL 30 -2.972 -10.211 0.166 231 HA VAL 30 HA VAL 30 -2.462 -7.670 1.275 232 HB VAL 30 HB VAL 30 -2.836 -8.284 -1.662 233 1HG1 VAL 30 1HG1 VAL 30 -1.665 -6.333 -2.111 234 2HG1 VAL 30 2HG1 VAL 30 -0.965 -6.262 -0.495 235 3HG1 VAL 30 3HG1 VAL 30 -2.665 -5.871 -0.734 236 1HG2 VAL 30 1HG2 VAL 30 -0.996 -9.464 0.076 237 2HG2 VAL 30 2HG2 VAL 30 -0.092 -8.207 -0.770 238 3HG2 VAL 30 3HG2 VAL 30 -0.940 -9.452 -1.686 239 H LYS 31 H LYS 31 -5.133 -8.901 -0.753 240 HA LYS 31 HA LYS 31 -6.527 -6.583 -1.216 241 1HB LYS 31 2HB LYS 31 -7.883 -9.155 -0.417 242 2HB LYS 31 1HB LYS 31 -8.519 -7.892 -1.458 243 1HG LYS 31 2HG LYS 31 -6.319 -9.836 -2.060 244 2HG LYS 31 1HG LYS 31 -7.892 -9.700 -2.838 245 1HD LYS 31 2HD LYS 31 -5.896 -7.463 -2.883 246 2HD LYS 31 1HD LYS 31 -5.871 -8.753 -4.084 247 1HE LYS 31 2HE LYS 31 -7.101 -6.908 -4.989 248 2HE LYS 31 1HE LYS 31 -8.234 -8.208 -4.627 249 1HZ LYS 31 1HZ LYS 31 -7.858 -6.322 -2.476 250 2HZ LYS 31 2HZ LYS 31 -9.285 -6.966 -3.112 251 3HZ LYS 31 3HZ LYS 31 -8.540 -5.651 -3.870 252 H GLN 32 H GLN 32 -6.733 -8.689 1.608 253 HA GLN 32 HA GLN 32 -8.629 -7.215 3.041 254 1HB GLN 32 2HB GLN 32 -8.200 -9.362 3.861 255 2HB GLN 32 1HB GLN 32 -6.463 -9.138 3.846 256 1HG GLN 32 2HG GLN 32 -8.251 -7.605 5.704 257 2HG GLN 32 1HG GLN 32 -7.661 -9.215 6.097 258 1HE2 GLN 32 1HE2 GLN 32 -5.173 -8.057 4.385 259 2HE2 GLN 32 2HE2 GLN 32 -4.265 -7.291 5.632 260 H PHE 33 H PHE 33 -5.160 -6.854 2.722 261 HA PHE 33 HA PHE 33 -4.626 -5.019 4.732 262 1HB PHE 33 2HB PHE 33 -2.972 -6.165 3.190 263 2HB PHE 33 1HB PHE 33 -3.400 -4.977 1.966 264 HD1 PHE 33 1HD PHE 33 -2.254 -5.153 5.502 265 HD2 PHE 33 2HD PHE 33 -2.122 -3.081 1.781 266 HE1 PHE 33 1HE PHE 33 -0.592 -3.584 6.421 267 HE2 PHE 33 2HE PHE 33 -0.455 -1.525 2.701 268 HZ PHE 33 HZ PHE 33 0.308 -1.784 5.029 269 H PHE 34 H PHE 34 -5.130 -4.232 1.321 270 HA PHE 34 HA PHE 34 -5.604 -1.469 1.781 271 1HB PHE 34 2HB PHE 34 -6.271 -3.155 -0.634 272 2HB PHE 34 1HB PHE 34 -6.258 -1.390 -0.589 273 HD1 PHE 34 1HD PHE 34 -3.916 -0.773 0.960 274 HD2 PHE 34 2HD PHE 34 -4.483 -3.801 -1.971 275 HE1 PHE 34 1HE PHE 34 -1.500 -0.790 0.520 276 HE2 PHE 34 2HE PHE 34 -2.065 -3.815 -2.424 277 HZ PHE 34 HZ PHE 34 -0.579 -2.310 -1.163 278 H ASN 35 H ASN 35 -7.717 -4.242 1.376 279 HA ASN 35 HA ASN 35 -10.189 -3.027 1.154 280 1HB ASN 35 2HB ASN 35 -9.813 -5.465 1.057 281 2HB ASN 35 1HB ASN 35 -9.470 -5.476 2.784 282 1HD2 ASN 35 1HD2 ASN 35 -11.652 -6.414 0.748 283 2HD2 ASN 35 2HD2 ASN 35 -13.110 -6.135 1.630 284 H ASP 36 H ASP 36 -8.183 -3.579 3.950 285 HA ASP 36 HA ASP 36 -10.109 -2.314 5.741 286 1HB ASP 36 2HB ASP 36 -7.485 -3.706 6.291 287 2HB ASP 36 1HB ASP 36 -8.494 -2.974 7.535 288 H ASN 37 H ASN 37 -7.171 -1.518 4.062 289 HA ASN 37 HA ASN 37 -6.546 0.697 5.829 290 1HB ASN 37 2HB ASN 37 -5.381 -0.070 3.142 291 2HB ASN 37 1HB ASN 37 -4.793 1.248 4.148 292 1HD2 ASN 37 1HD2 ASN 37 -3.689 -1.421 3.164 293 2HD2 ASN 37 2HD2 ASN 37 -3.028 -2.126 4.598 294 H GLY 38 H GLY 38 -7.743 0.239 2.545 295 1HA GLY 38 2HA GLY 38 -8.084 2.308 1.173 296 2HA GLY 38 1HA GLY 38 -9.563 1.517 1.672 297 H VAL 39 H VAL 39 -11.049 2.734 2.579 298 HA VAL 39 HA VAL 39 -10.301 5.451 3.414 299 HB VAL 39 HB VAL 39 -13.011 4.393 2.682 300 1HG1 VAL 39 1HG1 VAL 39 -11.977 7.018 3.529 301 2HG1 VAL 39 2HG1 VAL 39 -13.593 6.330 3.684 302 3HG1 VAL 39 3HG1 VAL 39 -13.081 7.044 2.155 303 1HG2 VAL 39 1HG2 VAL 39 -11.493 4.181 0.788 304 2HG2 VAL 39 2HG2 VAL 39 -11.026 5.873 0.958 305 3HG2 VAL 39 3HG2 VAL 39 -12.677 5.456 0.498 306 H ASP 40 H ASP 40 -10.903 2.621 5.046 307 HA ASP 40 HA ASP 40 -12.240 4.103 7.202 308 1HB ASP 40 2HB ASP 40 -12.644 1.196 6.469 309 2HB ASP 40 1HB ASP 40 -13.341 1.996 7.875 310 H GLY 41 H GLY 41 -9.339 3.077 6.409 311 1HA GLY 41 2HA GLY 41 -8.677 1.427 8.685 312 2HA GLY 41 1HA GLY 41 -7.554 2.062 7.494 313 H GLU 42 H GLU 42 -6.682 2.044 9.991 314 HA GLU 42 HA GLU 42 -7.113 4.736 11.092 315 1HB GLU 42 2HB GLU 42 -5.793 2.315 12.339 316 2HB GLU 42 1HB GLU 42 -6.021 3.869 13.129 317 1HG GLU 42 2HG GLU 42 -8.227 2.066 12.162 318 2HG GLU 42 1HG GLU 42 -7.676 2.207 13.830 319 H TRP 43 H TRP 43 -5.733 6.182 10.281 320 HA TRP 43 HA TRP 43 -2.995 5.337 9.652 321 1HB TRP 43 2HB TRP 43 -4.487 7.826 8.812 322 2HB TRP 43 1HB TRP 43 -2.884 7.348 8.267 323 HD1 TRP 43 HD TRP 43 -5.952 4.987 8.418 324 HE1 TRP 43 1HE TRP 43 -6.443 4.190 6.020 325 HE3 TRP 43 3HE TRP 43 -2.527 7.823 5.901 326 HZ2 TRP 43 2HZ TRP 43 -5.507 4.697 3.414 327 HZ3 TRP 43 3HZ TRP 43 -2.388 7.609 3.458 328 HH2 TRP 43 HH TRP 43 -3.848 6.074 2.238 329 H THR 44 H THR 44 -1.370 5.933 10.920 330 HA THR 44 HA THR 44 -1.748 8.237 12.714 331 HB THR 44 HB THR 44 0.087 7.223 14.071 332 HG1 THR 44 1HG THR 44 -0.261 4.980 12.379 333 1HG2 THR 44 1HG2 THR 44 -1.317 5.986 15.286 334 2HG2 THR 44 2HG2 THR 44 -1.750 4.955 13.924 335 3HG2 THR 44 3HG2 THR 44 -2.530 6.525 14.126 336 H TYR 45 H TYR 45 -0.275 9.912 12.649 337 HA TYR 45 HA TYR 45 1.703 9.752 10.475 338 1HB TYR 45 2HB TYR 45 -0.060 11.410 10.118 339 2HB TYR 45 1HB TYR 45 0.338 12.181 11.647 340 HD1 TYR 45 1HD TYR 45 2.521 10.948 8.881 341 HD2 TYR 45 2HD TYR 45 1.184 14.280 11.161 342 HE1 TYR 45 1HE TYR 45 4.146 12.384 7.723 343 HE2 TYR 45 2HE TYR 45 2.806 15.726 10.010 344 HH TYR 45 HH TYR 45 4.905 15.532 8.785 345 H ASP 46 H ASP 46 3.779 10.462 10.741 346 HA ASP 46 HA ASP 46 4.612 11.133 13.487 347 1HB ASP 46 2HB ASP 46 5.283 8.835 12.926 348 2HB ASP 46 1HB ASP 46 6.099 9.417 11.479 349 H ASP 47 H ASP 47 4.441 13.353 12.849 350 HA ASP 47 HA ASP 47 5.552 14.624 10.702 351 1HB ASP 47 2HB ASP 47 5.488 15.624 13.555 352 2HB ASP 47 1HB ASP 47 5.719 16.632 12.130 353 H ALA 48 H ALA 48 7.221 13.516 13.602 354 HA ALA 48 HA ALA 48 9.618 14.821 13.423 355 1HB ALA 48 1HB ALA 48 9.043 11.990 14.254 356 2HB ALA 48 2HB ALA 48 9.214 13.414 15.280 357 3HB ALA 48 3HB ALA 48 10.621 12.752 14.449 358 H THR 49 H THR 49 8.488 12.186 11.404 359 HA THR 49 HA THR 49 10.946 12.468 9.804 360 HB THR 49 HB THR 49 10.802 10.060 9.257 361 HG1 THR 49 1HG THR 49 9.198 8.888 9.933 362 1HG2 THR 49 1HG2 THR 49 12.315 9.968 10.881 363 2HG2 THR 49 2HG2 THR 49 11.002 9.368 11.893 364 3HG2 THR 49 3HG2 THR 49 11.414 11.082 11.909 365 H LYS 50 H LYS 50 7.970 13.404 9.704 366 HA LYS 50 HA LYS 50 6.324 13.692 8.132 367 1HB LYS 50 2HB LYS 50 8.745 13.509 6.335 368 2HB LYS 50 1HB LYS 50 7.162 14.086 5.825 369 1HG LYS 50 2HG LYS 50 7.692 15.612 8.051 370 2HG LYS 50 1HG LYS 50 9.271 15.458 7.278 371 1HD LYS 50 2HD LYS 50 6.732 16.385 5.945 372 2HD LYS 50 1HD LYS 50 8.060 17.424 6.464 373 1HE LYS 50 2HE LYS 50 8.222 15.237 4.392 374 2HE LYS 50 1HE LYS 50 8.166 16.967 4.062 375 1HZ LYS 50 1HZ LYS 50 10.405 15.376 4.610 376 2HZ LYS 50 2HZ LYS 50 10.248 16.496 5.868 377 3HZ LYS 50 3HZ LYS 50 10.354 17.033 4.268 378 H THR 51 H THR 51 6.759 10.990 8.976 379 HA THR 51 HA THR 51 6.042 9.522 6.527 380 HB THR 51 HB THR 51 7.380 8.499 9.037 381 HG1 THR 51 1HG THR 51 9.116 8.133 7.564 382 1HG2 THR 51 1HG2 THR 51 5.831 7.020 7.285 383 2HG2 THR 51 2HG2 THR 51 7.034 6.404 8.418 384 3HG2 THR 51 3HG2 THR 51 7.489 6.749 6.750 385 H PHE 52 H PHE 52 4.246 8.267 6.507 386 HA PHE 52 HA PHE 52 2.484 8.447 8.861 387 1HB PHE 52 2HB PHE 52 1.726 7.902 5.979 388 2HB PHE 52 1HB PHE 52 0.615 8.138 7.322 389 HD1 PHE 52 1HD PHE 52 -0.399 10.184 7.462 390 HD2 PHE 52 2HD PHE 52 3.475 9.931 5.718 391 HE1 PHE 52 1HE PHE 52 -0.464 12.593 6.969 392 HE2 PHE 52 2HE PHE 52 3.415 12.340 5.229 393 HZ PHE 52 HZ PHE 52 1.444 13.671 5.855 394 H THR 53 H THR 53 1.574 6.581 9.713 395 HA THR 53 HA THR 53 2.490 4.061 8.496 396 HB THR 53 HB THR 53 2.202 3.180 10.932 397 HG1 THR 53 1HG THR 53 1.984 4.617 12.424 398 1HG2 THR 53 1HG2 THR 53 4.465 4.551 9.683 399 2HG2 THR 53 2HG2 THR 53 4.367 2.962 10.446 400 3HG2 THR 53 3HG2 THR 53 4.551 4.411 11.439 401 H VAL 54 H VAL 54 0.985 2.773 7.792 402 HA VAL 54 HA VAL 54 -1.785 3.163 8.697 403 HB VAL 54 HB VAL 54 -0.783 1.724 6.226 404 1HG1 VAL 54 1HG1 VAL 54 -3.186 1.393 7.513 405 2HG1 VAL 54 2HG1 VAL 54 -2.877 1.060 5.810 406 3HG1 VAL 54 3HG1 VAL 54 -3.562 2.610 6.294 407 1HG2 VAL 54 1HG2 VAL 54 -2.367 4.166 5.901 408 2HG2 VAL 54 2HG2 VAL 54 -0.908 3.637 5.062 409 3HG2 VAL 54 3HG2 VAL 54 -0.784 4.423 6.635 410 H THR 55 H THR 55 -2.228 1.847 10.363 411 HA THR 55 HA THR 55 -1.118 -0.869 10.326 412 HB THR 55 HB THR 55 -2.446 0.565 12.625 413 HG1 THR 55 1HG THR 55 -0.633 1.652 12.548 414 1HG2 THR 55 1HG2 THR 55 -1.206 -1.081 13.993 415 2HG2 THR 55 2HG2 THR 55 -0.772 -1.929 12.508 416 3HG2 THR 55 3HG2 THR 55 -2.466 -1.798 12.986 417 H GLU 56 H GLU 56 -2.370 -2.464 9.620 418 HA GLU 56 HA GLU 56 -5.213 -2.057 9.345 419 1HB GLU 56 2HB GLU 56 -5.287 -4.163 8.236 420 2HB GLU 56 1HB GLU 56 -3.826 -3.351 7.696 421 1HG GLU 56 2HG GLU 56 -2.490 -4.726 9.169 422 2HG GLU 56 1HG GLU 56 -3.943 -5.492 9.806 423 1H MET 1 1HT MET 1 7.613 18.209 -3.159 424 2H MET 1 2HT MET 1 6.988 19.392 -2.124 425 3H MET 1 3HT MET 1 6.019 18.090 -2.602 426 HA MET 1 HA MET 1 8.533 17.656 -1.129 427 1HB MET 1 2HB MET 1 5.802 18.325 -0.028 428 2HB MET 1 1HB MET 1 7.054 17.544 0.927 429 1HG MET 1 2HG MET 1 7.279 20.247 -0.374 430 2HG MET 1 1HG MET 1 6.951 19.945 1.331 431 1HE MET 1 1HE MET 1 8.846 17.401 1.836 432 2HE MET 1 2HE MET 1 8.687 18.743 2.971 433 3HE MET 1 3HE MET 1 10.287 18.200 2.465 434 H GLN 2 H GLN 2 8.821 15.564 -0.555 435 HA GLN 2 HA GLN 2 6.790 13.650 -1.480 436 1HB GLN 2 2HB GLN 2 8.977 13.446 -2.581 437 2HB GLN 2 1HB GLN 2 9.754 13.254 -1.014 438 1HG GLN 2 2HG GLN 2 8.526 11.176 -0.656 439 2HG GLN 2 1HG GLN 2 7.740 11.369 -2.222 440 1HE2 GLN 2 1HE2 GLN 2 8.584 10.140 -3.730 441 2HE2 GLN 2 2HE2 GLN 2 10.242 9.681 -3.870 442 H TYR 3 H TYR 3 6.074 12.022 -0.119 443 HA TYR 3 HA TYR 3 6.959 12.237 2.685 444 1HB TYR 3 2HB TYR 3 4.166 11.757 1.634 445 2HB TYR 3 1HB TYR 3 4.628 11.616 3.327 446 HD1 TYR 3 1HD TYR 3 4.914 13.550 4.694 447 HD2 TYR 3 2HD TYR 3 4.230 13.974 0.515 448 HE1 TYR 3 1HE TYR 3 4.522 15.958 5.007 449 HE2 TYR 3 2HE TYR 3 3.837 16.382 0.818 450 HH TYR 3 HH TYR 3 4.526 18.159 2.532 451 H LYS 4 H LYS 4 7.110 10.378 3.898 452 HA LYS 4 HA LYS 4 7.360 7.910 2.346 453 1HB LYS 4 2HB LYS 4 9.301 8.569 3.667 454 2HB LYS 4 1HB LYS 4 8.316 8.658 5.119 455 1HG LYS 4 2HG LYS 4 9.175 6.612 5.475 456 2HG LYS 4 1HG LYS 4 7.845 6.116 4.429 457 1HD LYS 4 2HD LYS 4 10.673 6.669 3.535 458 2HD LYS 4 1HD LYS 4 9.961 5.071 3.772 459 1HE LYS 4 2HE LYS 4 8.274 5.613 2.049 460 2HE LYS 4 1HE LYS 4 9.087 7.155 1.777 461 1HZ LYS 4 1HZ LYS 4 10.738 6.181 0.632 462 2HZ LYS 4 2HZ LYS 4 9.618 4.935 0.403 463 3HZ LYS 4 3HZ LYS 4 10.783 4.809 1.620 464 H VAL 5 H VAL 5 5.423 6.888 2.237 465 HA VAL 5 HA VAL 5 3.731 6.797 4.618 466 HB VAL 5 HB VAL 5 3.159 5.815 1.819 467 1HG1 VAL 5 1HG1 VAL 5 1.257 6.214 4.124 468 2HG1 VAL 5 2HG1 VAL 5 1.900 4.652 3.619 469 3HG1 VAL 5 3HG1 VAL 5 0.872 5.576 2.526 470 1HG2 VAL 5 1HG2 VAL 5 2.917 8.437 3.111 471 2HG2 VAL 5 2HG2 VAL 5 1.478 7.897 2.247 472 3HG2 VAL 5 3HG2 VAL 5 3.021 8.017 1.402 473 H ILE 6 H ILE 6 4.054 5.211 5.989 474 HA ILE 6 HA ILE 6 5.188 2.676 5.083 475 HB ILE 6 HB ILE 6 4.736 3.760 7.866 476 1HG1 ILE 6 2HG1 ILE 6 7.268 3.274 6.284 477 2HG1 ILE 6 1HG1 ILE 6 6.544 4.848 6.596 478 1HG2 ILE 6 1HG2 ILE 6 4.708 1.594 8.452 479 2HG2 ILE 6 2HG2 ILE 6 6.449 1.680 8.175 480 3HG2 ILE 6 3HG2 ILE 6 5.384 1.062 6.911 481 1HD1 ILE 6 1HD1 ILE 6 6.896 4.493 9.007 482 2HD1 ILE 6 2HD1 ILE 6 8.398 4.485 8.082 483 3HD1 ILE 6 3HD1 ILE 6 7.697 2.965 8.639 484 H LEU 7 H LEU 7 3.906 1.040 4.623 485 HA LEU 7 HA LEU 7 1.175 0.995 5.694 486 1HB LEU 7 2HB LEU 7 2.245 -0.864 3.589 487 2HB LEU 7 1HB LEU 7 0.588 -0.357 3.865 488 HG LEU 7 HG LEU 7 2.800 1.315 2.693 489 1HD1 LEU 7 1HD1 LEU 7 1.352 1.320 0.707 490 2HD1 LEU 7 2HD1 LEU 7 0.254 0.209 1.523 491 3HD1 LEU 7 3HD1 LEU 7 1.897 -0.298 1.138 492 1HD2 LEU 7 1HD2 LEU 7 1.106 3.060 2.429 493 2HD2 LEU 7 2HD2 LEU 7 1.377 2.676 4.127 494 3HD2 LEU 7 3HD2 LEU 7 -0.056 2.065 3.305 495 H ASN 8 H ASN 8 1.768 0.281 7.790 496 HA ASN 8 HA ASN 8 3.090 -2.299 8.029 497 1HB ASN 8 2HB ASN 8 3.712 -0.349 9.466 498 2HB ASN 8 1HB ASN 8 2.117 -0.438 10.203 499 1HD2 ASN 8 1HD2 ASN 8 5.150 -1.066 10.830 500 2HD2 ASN 8 2HD2 ASN 8 5.018 -2.491 11.799 501 H GLY 9 H GLY 9 1.833 -4.045 7.785 502 1HA GLY 9 2HA GLY 9 -0.796 -4.002 9.126 503 2HA GLY 9 1HA GLY 9 -0.476 -4.898 7.650 504 H LYS 10 H LYS 10 -1.466 -6.582 9.053 505 HA LYS 10 HA LYS 10 0.195 -7.705 11.123 506 1HB LYS 10 2HB LYS 10 -2.290 -8.833 9.816 507 2HB LYS 10 1HB LYS 10 -1.569 -9.369 11.327 508 1HG LYS 10 2HG LYS 10 -2.133 -7.309 12.406 509 2HG LYS 10 1HG LYS 10 -2.664 -6.602 10.879 510 1HD LYS 10 2HD LYS 10 -4.565 -7.311 12.249 511 2HD LYS 10 1HD LYS 10 -4.476 -8.227 10.743 512 1HE LYS 10 2HE LYS 10 -3.424 -10.079 11.922 513 2HE LYS 10 1HE LYS 10 -3.474 -9.163 13.427 514 1HZ LYS 10 1HZ LYS 10 -5.289 -10.762 13.275 515 2HZ LYS 10 2HZ LYS 10 -5.847 -10.023 11.858 516 3HZ LYS 10 3HZ LYS 10 -5.881 -9.176 13.323 517 H THR 11 H THR 11 -1.087 -8.894 8.017 518 HA THR 11 HA THR 11 1.089 -10.832 7.856 519 HB THR 11 HB THR 11 -0.384 -11.584 5.843 520 HG1 THR 11 1HG THR 11 -1.691 -9.641 6.003 521 1HG2 THR 11 1HG2 THR 11 -1.521 -11.905 8.607 522 2HG2 THR 11 2HG2 THR 11 -0.197 -12.863 7.944 523 3HG2 THR 11 3HG2 THR 11 -1.800 -12.952 7.215 524 H LEU 12 H LEU 12 0.516 -7.744 6.937 525 HA LEU 12 HA LEU 12 2.290 -8.005 4.629 526 1HB LEU 12 2HB LEU 12 0.041 -7.781 3.747 527 2HB LEU 12 1HB LEU 12 -0.230 -6.352 4.725 528 HG LEU 12 HG LEU 12 1.326 -5.087 3.433 529 1HD1 LEU 12 1HD1 LEU 12 3.111 -6.181 2.680 530 2HD1 LEU 12 2HD1 LEU 12 2.104 -6.656 1.309 531 3HD1 LEU 12 3HD1 LEU 12 2.270 -7.725 2.698 532 1HD2 LEU 12 1HD2 LEU 12 0.078 -6.402 1.151 533 2HD2 LEU 12 2HD2 LEU 12 -0.095 -4.750 1.744 534 3HD2 LEU 12 3HD2 LEU 12 -1.046 -6.049 2.464 535 H LYS 13 H LYS 13 3.854 -6.516 4.497 536 HA LYS 13 HA LYS 13 3.704 -4.081 6.100 537 1HB LYS 13 2HB LYS 13 5.974 -6.066 6.358 538 2HB LYS 13 1HB LYS 13 5.915 -4.476 7.107 539 1HG LYS 13 2HG LYS 13 3.969 -5.167 8.417 540 2HG LYS 13 1HG LYS 13 4.043 -6.765 7.671 541 1HD LYS 13 2HD LYS 13 6.276 -7.100 8.613 542 2HD LYS 13 1HD LYS 13 6.204 -5.500 9.355 543 1HE LYS 13 2HE LYS 13 5.675 -7.268 10.964 544 2HE LYS 13 1HE LYS 13 4.304 -6.191 10.704 545 1HZ LYS 13 1HZ LYS 13 4.198 -8.357 8.887 546 2HZ LYS 13 2HZ LYS 13 3.075 -7.905 10.068 547 3HZ LYS 13 3HZ LYS 13 4.346 -8.948 10.465 548 H GLY 14 H GLY 14 4.999 -2.396 5.299 549 1HA GLY 14 2HA GLY 14 7.071 -2.704 3.441 550 2HA GLY 14 1HA GLY 14 5.577 -2.510 2.546 551 H GLU 15 H GLU 15 6.757 -0.629 1.717 552 HA GLU 15 HA GLU 15 5.997 1.729 3.228 553 1HB GLU 15 2HB GLU 15 8.834 1.291 2.279 554 2HB GLU 15 1HB GLU 15 8.206 2.792 2.945 555 1HG GLU 15 2HG GLU 15 7.770 1.671 5.070 556 2HG GLU 15 1HG GLU 15 8.399 0.165 4.402 557 H THR 16 H THR 16 5.526 3.466 1.974 558 HA THR 16 HA THR 16 6.084 3.343 -0.884 559 HB THR 16 HB THR 16 3.948 2.459 -1.016 560 HG1 THR 16 1HG THR 16 3.376 5.204 -0.923 561 1HG2 THR 16 1HG2 THR 16 3.370 3.998 1.447 562 2HG2 THR 16 2HG2 THR 16 3.003 2.324 1.042 563 3HG2 THR 16 3HG2 THR 16 2.039 3.630 0.353 564 H THR 17 H THR 17 5.411 5.492 -1.977 565 HA THR 17 HA THR 17 5.645 7.737 -0.107 566 HB THR 17 HB THR 17 7.440 8.756 -1.401 567 HG1 THR 17 1HG THR 17 8.048 7.983 -3.252 568 1HG2 THR 17 1HG2 THR 17 8.937 7.752 -0.147 569 2HG2 THR 17 2HG2 THR 17 8.847 6.297 -1.138 570 3HG2 THR 17 3HG2 THR 17 7.747 6.508 0.221 571 H THR 18 H THR 18 4.273 9.259 -0.539 572 HA THR 18 HA THR 18 3.191 9.568 -3.281 573 HB THR 18 HB THR 18 1.530 8.921 -1.538 574 HG1 THR 18 1HG THR 18 0.971 10.285 -3.336 575 1HG2 THR 18 1HG2 THR 18 2.438 11.456 -0.240 576 2HG2 THR 18 2HG2 THR 18 2.203 9.862 0.473 577 3HG2 THR 18 3HG2 THR 18 0.808 10.829 -0.003 578 H GLU 19 H GLU 19 3.107 11.646 -4.167 579 HA GLU 19 HA GLU 19 4.743 13.657 -2.766 580 1HB GLU 19 2HB GLU 19 5.622 12.937 -4.939 581 2HB GLU 19 1HB GLU 19 4.105 13.378 -5.711 582 1HG GLU 19 2HG GLU 19 4.482 15.717 -5.121 583 2HG GLU 19 1HG GLU 19 6.002 15.274 -4.345 584 H ALA 20 H ALA 20 3.650 15.307 -1.856 585 HA ALA 20 HA ALA 20 1.409 16.478 -3.297 586 1HB ALA 20 1HB ALA 20 -0.211 15.680 -2.014 587 2HB ALA 20 2HB ALA 20 0.617 16.227 -0.554 588 3HB ALA 20 3HB ALA 20 0.979 14.640 -1.230 589 H VAL 21 H VAL 21 0.851 18.545 -2.644 590 HA VAL 21 HA VAL 21 2.873 20.294 -2.011 591 HB VAL 21 HB VAL 21 -0.025 20.796 -1.341 592 1HG1 VAL 21 1HG1 VAL 21 2.081 22.735 -2.275 593 2HG1 VAL 21 2HG1 VAL 21 1.692 22.454 -0.578 594 3HG1 VAL 21 3HG1 VAL 21 0.465 23.101 -1.668 595 1HG2 VAL 21 1HG2 VAL 21 1.394 20.689 -3.969 596 2HG2 VAL 21 2HG2 VAL 21 0.053 21.811 -3.737 597 3HG2 VAL 21 3HG2 VAL 21 -0.200 20.078 -3.527 598 H ASP 22 H ASP 22 0.861 18.489 0.185 599 HA ASP 22 HA ASP 22 2.571 19.274 2.388 600 1HB ASP 22 2HB ASP 22 0.572 19.853 3.848 601 2HB ASP 22 1HB ASP 22 1.031 21.051 2.641 602 H ALA 23 H ALA 23 1.828 18.140 4.480 603 HA ALA 23 HA ALA 23 1.840 15.390 4.024 604 1HB ALA 23 1HB ALA 23 2.399 15.396 6.172 605 2HB ALA 23 2HB ALA 23 0.769 15.902 6.614 606 3HB ALA 23 3HB ALA 23 2.003 17.112 6.260 607 H ALA 24 H ALA 24 -0.834 17.563 4.805 608 HA ALA 24 HA ALA 24 -2.798 15.551 5.091 609 1HB ALA 24 1HB ALA 24 -2.873 18.497 4.578 610 2HB ALA 24 2HB ALA 24 -3.509 17.577 5.942 611 3HB ALA 24 3HB ALA 24 -4.349 17.550 4.391 612 H THR 25 H THR 25 -2.061 17.687 2.307 613 HA THR 25 HA THR 25 -3.792 16.533 0.489 614 HB THR 25 HB THR 25 -2.106 17.280 -1.248 615 HG1 THR 25 1HG THR 25 -0.596 17.563 1.034 616 1HG2 THR 25 1HG2 THR 25 -2.247 19.703 -0.684 617 2HG2 THR 25 2HG2 THR 25 -2.989 19.235 0.845 618 3HG2 THR 25 3HG2 THR 25 -3.786 18.844 -0.679 619 H ALA 26 H ALA 26 -0.488 15.614 1.374 620 HA ALA 26 HA ALA 26 -0.219 13.457 -0.413 621 1HB ALA 26 1HB ALA 26 1.017 13.803 2.321 622 2HB ALA 26 2HB ALA 26 1.683 14.411 0.804 623 3HB ALA 26 3HB ALA 26 1.557 12.673 1.079 624 H GLU 27 H GLU 27 -1.253 13.553 3.002 625 HA GLU 27 HA GLU 27 -1.837 10.874 3.338 626 1HB GLU 27 2HB GLU 27 -1.807 12.551 5.150 627 2HB GLU 27 1HB GLU 27 -3.295 13.239 4.520 628 1HG GLU 27 2HG GLU 27 -3.230 10.356 5.264 629 2HG GLU 27 1HG GLU 27 -3.324 11.575 6.532 630 H LYS 28 H LYS 28 -3.884 13.492 2.110 631 HA LYS 28 HA LYS 28 -6.209 11.940 1.741 632 1HB LYS 28 2HB LYS 28 -5.314 14.476 0.364 633 2HB LYS 28 1HB LYS 28 -6.926 13.786 0.235 634 1HG LYS 28 2HG LYS 28 -5.614 14.816 2.739 635 2HG LYS 28 1HG LYS 28 -6.922 15.585 1.838 636 1HD LYS 28 2HD LYS 28 -8.370 13.670 2.313 637 2HD LYS 28 1HD LYS 28 -7.062 12.903 3.215 638 1HE LYS 28 2HE LYS 28 -8.386 15.529 3.891 639 2HE LYS 28 1HE LYS 28 -8.648 13.994 4.718 640 1HZ LYS 28 1HZ LYS 28 -6.065 15.456 4.577 641 2HZ LYS 28 2HZ LYS 28 -6.329 13.995 5.385 642 3HZ LYS 28 3HZ LYS 28 -7.096 15.405 5.918 643 H VAL 29 H VAL 29 -3.588 12.856 -0.469 644 HA VAL 29 HA VAL 29 -4.600 11.660 -2.782 645 HB VAL 29 HB VAL 29 -1.700 11.934 -1.961 646 1HG1 VAL 29 1HG1 VAL 29 -2.208 12.086 -4.792 647 2HG1 VAL 29 2HG1 VAL 29 -2.785 10.556 -4.135 648 3HG1 VAL 29 3HG1 VAL 29 -1.104 11.037 -3.905 649 1HG2 VAL 29 1HG2 VAL 29 -2.738 13.793 -3.950 650 2HG2 VAL 29 2HG2 VAL 29 -1.780 14.100 -2.500 651 3HG2 VAL 29 3HG2 VAL 29 -3.533 13.944 -2.384 652 H VAL 30 H VAL 30 -2.721 10.332 -0.117 653 HA VAL 30 HA VAL 30 -2.257 7.780 -1.219 654 HB VAL 30 HB VAL 30 -2.657 8.404 1.711 655 1HG1 VAL 30 1HG1 VAL 30 -1.540 6.424 2.178 656 2HG1 VAL 30 2HG1 VAL 30 -0.819 6.337 0.571 657 3HG1 VAL 30 3HG1 VAL 30 -2.533 5.987 0.787 658 1HG2 VAL 30 1HG2 VAL 30 -0.764 9.537 0.001 659 2HG2 VAL 30 2HG2 VAL 30 0.096 8.260 0.860 660 3HG2 VAL 30 3HG2 VAL 30 -0.734 9.525 1.765 661 H LYS 31 H LYS 31 -4.925 9.077 0.771 662 HA LYS 31 HA LYS 31 -6.382 6.792 1.213 663 1HB LYS 31 2HB LYS 31 -7.663 9.397 0.396 664 2HB LYS 31 1HB LYS 31 -8.344 8.149 1.428 665 1HG LYS 31 2HG LYS 31 -6.106 10.039 2.062 666 2HG LYS 31 1HG LYS 31 -7.693 9.942 2.819 667 1HD LYS 31 2HD LYS 31 -5.753 7.657 2.891 668 2HD LYS 31 1HD LYS 31 -5.713 8.946 4.091 669 1HE LYS 31 2HE LYS 31 -7.002 7.133 4.979 670 2HE LYS 31 1HE LYS 31 -8.099 8.458 4.602 671 1HZ LYS 31 1HZ LYS 31 -7.736 6.565 2.456 672 2HZ LYS 31 2HZ LYS 31 -9.156 7.244 3.070 673 3HZ LYS 31 3HZ LYS 31 -8.455 5.911 3.840 674 H GLN 32 H GLN 32 -6.496 8.902 -1.613 675 HA GLN 32 HA GLN 32 -8.408 7.475 -3.072 676 1HB GLN 32 2HB GLN 32 -7.915 9.610 -3.885 677 2HB GLN 32 1HB GLN 32 -6.184 9.344 -3.847 678 1HG GLN 32 2HG GLN 32 -7.982 7.855 -5.730 679 2HG GLN 32 1HG GLN 32 -7.347 9.450 -6.114 680 1HE2 GLN 32 1HE2 GLN 32 -4.913 8.232 -4.366 681 2HE2 GLN 32 2HE2 GLN 32 -4.007 7.445 -5.602 682 H PHE 33 H PHE 33 -4.952 7.030 -2.703 683 HA PHE 33 HA PHE 33 -4.436 5.183 -4.706 684 1HB PHE 33 2HB PHE 33 -2.775 6.288 -3.141 685 2HB PHE 33 1HB PHE 33 -3.249 5.111 -1.922 686 HD1 PHE 33 1HD PHE 33 -2.051 5.257 -5.444 687 HD2 PHE 33 2HD PHE 33 -2.021 3.185 -1.721 688 HE1 PHE 33 1HE PHE 33 -0.414 3.649 -6.339 689 HE2 PHE 33 2HE PHE 33 -0.379 1.589 -2.618 690 HZ PHE 33 HZ PHE 33 0.422 1.828 -4.936 691 H PHE 34 H PHE 34 -5.006 4.407 -1.303 692 HA PHE 34 HA PHE 34 -5.541 1.656 -1.770 693 1HB PHE 34 2HB PHE 34 -6.200 3.360 0.635 694 2HB PHE 34 1HB PHE 34 -6.230 1.595 0.589 695 HD1 PHE 34 1HD PHE 34 -3.881 0.920 -0.925 696 HD2 PHE 34 2HD PHE 34 -4.416 3.961 1.998 697 HE1 PHE 34 1HE PHE 34 -1.473 0.878 -0.451 698 HE2 PHE 34 2HE PHE 34 -2.005 3.918 2.484 699 HZ PHE 34 HZ PHE 34 -0.539 2.376 1.245 700 H ASN 35 H ASN 35 -7.592 4.481 -1.394 701 HA ASN 35 HA ASN 35 -10.096 3.326 -1.208 702 1HB ASN 35 2HB ASN 35 -9.661 5.754 -1.106 703 2HB ASN 35 1HB ASN 35 -9.294 5.757 -2.827 704 1HD2 ASN 35 1HD2 ASN 35 -11.481 6.748 -0.823 705 2HD2 ASN 35 2HD2 ASN 35 -12.934 6.505 -1.725 706 H ASP 36 H ASP 36 -8.036 3.829 -3.975 707 HA ASP 36 HA ASP 36 -9.968 2.611 -5.793 708 1HB ASP 36 2HB ASP 36 -7.303 3.939 -6.307 709 2HB ASP 36 1HB ASP 36 -8.312 3.230 -7.565 710 H ASN 37 H ASN 37 -7.073 1.744 -4.073 711 HA ASN 37 HA ASN 37 -6.478 -0.486 -5.831 712 1HB ASN 37 2HB ASN 37 -5.334 0.252 -3.128 713 2HB ASN 37 1HB ASN 37 -4.764 -1.080 -4.126 714 1HD2 ASN 37 1HD2 ASN 37 -3.609 1.562 -3.126 715 2HD2 ASN 37 2HD2 ASN 37 -2.911 2.252 -4.550 716 H GLY 38 H GLY 38 -7.709 0.001 -2.565 717 1HA GLY 38 2HA GLY 38 -8.120 -2.059 -1.198 718 2HA GLY 38 1HA GLY 38 -9.572 -1.233 -1.718 719 H VAL 39 H VAL 39 -11.075 -2.414 -2.645 720 HA VAL 39 HA VAL 39 -10.380 -5.147 -3.472 721 HB VAL 39 HB VAL 39 -13.074 -4.023 -2.778 722 1HG1 VAL 39 1HG1 VAL 39 -12.093 -6.672 -3.609 723 2HG1 VAL 39 2HG1 VAL 39 -13.690 -5.946 -3.787 724 3HG1 VAL 39 3HG1 VAL 39 -13.218 -6.671 -2.252 725 1HG2 VAL 39 1HG2 VAL 39 -11.578 -3.847 -0.861 726 2HG2 VAL 39 2HG2 VAL 39 -11.151 -5.551 -1.026 727 3HG2 VAL 39 3HG2 VAL 39 -12.797 -5.094 -0.589 728 H ASP 40 H ASP 40 -10.892 -2.304 -5.111 729 HA ASP 40 HA ASP 40 -12.232 -3.752 -7.286 730 1HB ASP 40 2HB ASP 40 -12.577 -0.836 -6.558 731 2HB ASP 40 1HB ASP 40 -13.273 -1.619 -7.973 732 H GLY 41 H GLY 41 -9.319 -2.798 -6.453 733 1HA GLY 41 2HA GLY 41 -8.587 -1.166 -8.717 734 2HA GLY 41 1HA GLY 41 -7.495 -1.826 -7.511 735 H GLU 42 H GLU 42 -6.588 -1.831 -9.995 736 HA GLU 42 HA GLU 42 -7.069 -4.511 -11.103 737 1HB GLU 42 2HB GLU 42 -5.673 -2.123 -12.331 738 2HB GLU 42 1HB GLU 42 -5.927 -3.672 -13.124 739 1HG GLU 42 2HG GLU 42 -8.103 -1.814 -12.188 740 2HG GLU 42 1HG GLU 42 -7.530 -1.970 -13.848 741 H TRP 43 H TRP 43 -5.736 -5.990 -10.273 742 HA TRP 43 HA TRP 43 -2.988 -5.211 -9.603 743 1HB TRP 43 2HB TRP 43 -4.551 -7.664 -8.786 744 2HB TRP 43 1HB TRP 43 -2.946 -7.225 -8.219 745 HD1 TRP 43 HD TRP 43 -5.953 -4.790 -8.411 746 HE1 TRP 43 1HE TRP 43 -6.458 -3.981 -6.022 747 HE3 TRP 43 3HE TRP 43 -2.633 -7.707 -5.848 748 HZ2 TRP 43 2HZ TRP 43 -5.570 -4.510 -3.403 749 HZ3 TRP 43 3HZ TRP 43 -2.523 -7.498 -3.403 750 HH2 TRP 43 HH TRP 43 -3.963 -5.927 -2.204 751 H THR 44 H THR 44 -1.360 -5.847 -10.849 752 HA THR 44 HA THR 44 -1.768 -8.141 -12.650 753 HB THR 44 HB THR 44 0.111 -7.173 -13.981 754 HG1 THR 44 1HG THR 44 -0.207 -4.921 -12.295 755 1HG2 THR 44 1HG2 THR 44 -1.245 -5.902 -15.216 756 2HG2 THR 44 2HG2 THR 44 -1.674 -4.861 -13.859 757 3HG2 THR 44 3HG2 THR 44 -2.487 -6.410 -14.072 758 H TYR 45 H TYR 45 -0.337 -9.853 -12.566 759 HA TYR 45 HA TYR 45 1.614 -9.740 -10.363 760 1HB TYR 45 2HB TYR 45 -0.195 -11.353 -10.029 761 2HB TYR 45 1HB TYR 45 0.208 -12.134 -11.554 762 HD1 TYR 45 1HD TYR 45 2.379 -10.954 -8.756 763 HD2 TYR 45 2HD TYR 45 0.995 -14.254 -11.057 764 HE1 TYR 45 1HE TYR 45 3.953 -12.429 -7.576 765 HE2 TYR 45 2HE TYR 45 2.564 -15.738 -9.882 766 HH TYR 45 HH TYR 45 4.650 -15.595 -8.629 767 H ASP 46 H ASP 46 3.675 -10.500 -10.599 768 HA ASP 46 HA ASP 46 4.530 -11.192 -13.331 769 1HB ASP 46 2HB ASP 46 5.249 -8.911 -12.762 770 2HB ASP 46 1HB ASP 46 6.030 -9.513 -11.303 771 H ASP 47 H ASP 47 4.295 -13.408 -12.698 772 HA ASP 47 HA ASP 47 5.347 -14.704 -10.535 773 1HB ASP 47 2HB ASP 47 5.298 -15.704 -13.388 774 2HB ASP 47 1HB ASP 47 5.485 -16.716 -11.960 775 H ALA 48 H ALA 48 7.081 -13.637 -13.411 776 HA ALA 48 HA ALA 48 9.444 -15.000 -13.199 777 1HB ALA 48 1HB ALA 48 8.949 -12.157 -14.036 778 2HB ALA 48 2HB ALA 48 9.099 -13.584 -15.061 779 3HB ALA 48 3HB ALA 48 10.511 -12.956 -14.210 780 H THR 49 H THR 49 8.349 -12.339 -11.195 781 HA THR 49 HA THR 49 10.777 -12.680 -9.562 782 HB THR 49 HB THR 49 10.683 -10.270 -9.017 783 HG1 THR 49 1HG THR 49 9.119 -9.058 -9.716 784 1HG2 THR 49 1HG2 THR 49 12.222 -10.214 -10.619 785 2HG2 THR 49 2HG2 THR 49 10.937 -9.581 -11.648 786 3HG2 THR 49 3HG2 THR 49 11.309 -11.305 -11.660 787 H LYS 50 H LYS 50 7.777 -13.544 -9.503 788 HA LYS 50 HA LYS 50 6.104 -13.791 -7.955 789 1HB LYS 50 2HB LYS 50 8.502 -13.667 -6.123 790 2HB LYS 50 1HB LYS 50 6.900 -14.206 -5.636 791 1HG LYS 50 2HG LYS 50 7.423 -15.743 -7.855 792 2HG LYS 50 1HG LYS 50 8.995 -15.627 -7.059 793 1HD LYS 50 2HD LYS 50 6.414 -16.491 -5.762 794 2HD LYS 50 1HD LYS 50 7.725 -17.563 -6.263 795 1HE LYS 50 2HE LYS 50 7.911 -15.380 -4.188 796 2HE LYS 50 1HE LYS 50 7.808 -17.109 -3.861 797 1HZ LYS 50 1HZ LYS 50 10.091 -15.573 -4.376 798 2HZ LYS 50 2HZ LYS 50 9.926 -16.688 -5.636 799 3HZ LYS 50 3HZ LYS 50 9.997 -17.227 -4.035 800 H THR 51 H THR 51 6.616 -11.101 -8.792 801 HA THR 51 HA THR 51 5.900 -9.615 -6.354 802 HB THR 51 HB THR 51 7.298 -8.624 -8.844 803 HG1 THR 51 1HG THR 51 9.022 -8.301 -7.348 804 1HG2 THR 51 1HG2 THR 51 5.762 -7.109 -7.114 805 2HG2 THR 51 2HG2 THR 51 6.995 -6.522 -8.230 806 3HG2 THR 51 3HG2 THR 51 7.418 -6.877 -6.555 807 H PHE 52 H PHE 52 4.136 -8.316 -6.358 808 HA PHE 52 HA PHE 52 2.402 -8.454 -8.737 809 1HB PHE 52 2HB PHE 52 1.618 -7.890 -5.867 810 2HB PHE 52 1HB PHE 52 0.521 -8.100 -7.225 811 HD1 PHE 52 1HD PHE 52 -0.541 -10.120 -7.379 812 HD2 PHE 52 2HD PHE 52 3.314 -9.961 -5.582 813 HE1 PHE 52 1HE PHE 52 -0.671 -12.528 -6.888 814 HE2 PHE 52 2HE PHE 52 3.187 -12.368 -5.093 815 HZ PHE 52 HZ PHE 52 1.193 -13.652 -5.747 816 H THR 53 H THR 53 1.551 -6.565 -9.600 817 HA THR 53 HA THR 53 2.510 -4.068 -8.371 818 HB THR 53 HB THR 53 2.278 -3.183 -10.810 819 HG1 THR 53 1HG THR 53 2.048 -4.613 -12.306 820 1HG2 THR 53 1HG2 THR 53 4.489 -4.608 -9.530 821 2HG2 THR 53 2HG2 THR 53 4.441 -3.016 -10.295 822 3HG2 THR 53 3HG2 THR 53 4.603 -4.470 -11.286 823 H VAL 54 H VAL 54 1.028 -2.746 -7.688 824 HA VAL 54 HA VAL 54 -1.738 -3.068 -8.632 825 HB VAL 54 HB VAL 54 -0.737 -1.653 -6.147 826 1HG1 VAL 54 1HG1 VAL 54 -3.114 -1.264 -7.468 827 2HG1 VAL 54 2HG1 VAL 54 -2.819 -0.938 -5.760 828 3HG1 VAL 54 3HG1 VAL 54 -3.535 -2.472 -6.254 829 1HG2 VAL 54 1HG2 VAL 54 -2.383 -4.055 -5.845 830 2HG2 VAL 54 2HG2 VAL 54 -0.925 -3.563 -4.987 831 3HG2 VAL 54 3HG2 VAL 54 -0.797 -4.352 -6.558 832 H THR 55 H THR 55 -2.126 -1.742 -10.305 833 HA THR 55 HA THR 55 -0.950 0.947 -10.252 834 HB THR 55 HB THR 55 -2.280 -0.455 -12.569 835 HG1 THR 55 1HG THR 55 -0.495 -1.587 -12.466 836 1HG2 THR 55 1HG2 THR 55 -0.982 1.161 -13.919 837 2HG2 THR 55 2HG2 THR 55 -0.549 1.998 -12.427 838 3HG2 THR 55 3HG2 THR 55 -2.237 1.908 -12.930 839 H GLU 56 H GLU 56 -2.174 2.573 -9.562 840 HA GLU 56 HA GLU 56 -5.028 2.234 -9.328 841 1HB GLU 56 2HB GLU 56 -5.069 4.341 -8.220 842 2HB GLU 56 1HB GLU 56 -3.634 3.494 -7.659 843 1HG GLU 56 2HG GLU 56 -2.245 4.837 -9.112 844 2HG GLU 56 1HG GLU 56 -3.668 5.637 -9.771 Start of MODEL 33 1 1H MET 1 1HT MET 1 4.980 -18.989 1.414 2 2H MET 1 2HT MET 1 5.503 -18.305 2.870 3 3H MET 1 3HT MET 1 6.201 -19.742 2.314 4 HA MET 1 HA MET 1 7.798 -18.229 1.736 5 1HB MET 1 2HB MET 1 7.008 -19.586 -0.182 6 2HB MET 1 1HB MET 1 5.900 -18.298 -0.620 7 1HG MET 1 2HG MET 1 7.614 -16.882 -1.302 8 2HG MET 1 1HG MET 1 8.844 -17.796 -0.427 9 1HE MET 1 1HE MET 1 6.279 -17.811 -3.268 10 2HE MET 1 2HE MET 1 6.046 -19.500 -2.815 11 3HE MET 1 3HE MET 1 6.817 -19.096 -4.349 12 H GLN 2 H GLN 2 8.371 -16.111 0.696 13 HA GLN 2 HA GLN 2 6.437 -14.065 1.546 14 1HB GLN 2 2HB GLN 2 8.531 -14.013 2.790 15 2HB GLN 2 1HB GLN 2 9.450 -13.910 1.299 16 1HG GLN 2 2HG GLN 2 7.441 -11.828 2.092 17 2HG GLN 2 1HG GLN 2 9.113 -11.775 2.634 18 1HE2 GLN 2 1HE2 GLN 2 9.638 -13.068 -0.205 19 2HE2 GLN 2 2HE2 GLN 2 9.715 -11.674 -1.214 20 H TYR 3 H TYR 3 5.948 -12.336 0.213 21 HA TYR 3 HA TYR 3 6.998 -12.470 -2.533 22 1HB TYR 3 2HB TYR 3 4.113 -12.025 -1.731 23 2HB TYR 3 1HB TYR 3 4.738 -11.925 -3.373 24 HD1 TYR 3 1HD TYR 3 4.314 -13.753 -4.703 25 HD2 TYR 3 2HD TYR 3 4.859 -14.361 -0.526 26 HE1 TYR 3 1HE TYR 3 3.906 -16.159 -5.004 27 HE2 TYR 3 2HE TYR 3 4.461 -16.771 -0.818 28 HH TYR 3 HH TYR 3 4.401 -18.450 -2.421 29 H LYS 4 H LYS 4 7.155 -10.504 -3.639 30 HA LYS 4 HA LYS 4 7.091 -8.148 -1.881 31 1HB LYS 4 2HB LYS 4 9.275 -8.683 -2.870 32 2HB LYS 4 1HB LYS 4 8.571 -8.592 -4.477 33 1HG LYS 4 2HG LYS 4 8.135 -6.238 -4.204 34 2HG LYS 4 1HG LYS 4 8.702 -6.297 -2.536 35 1HD LYS 4 2HD LYS 4 10.442 -5.375 -3.915 36 2HD LYS 4 1HD LYS 4 10.937 -6.979 -3.373 37 1HE LYS 4 2HE LYS 4 9.657 -6.455 -6.048 38 2HE LYS 4 1HE LYS 4 11.400 -6.442 -5.793 39 1HZ LYS 4 1HZ LYS 4 10.569 -8.797 -4.685 40 2HZ LYS 4 2HZ LYS 4 11.317 -8.611 -6.188 41 3HZ LYS 4 3HZ LYS 4 9.631 -8.662 -6.087 42 H VAL 5 H VAL 5 5.245 -7.050 -2.077 43 HA VAL 5 HA VAL 5 3.902 -6.940 -4.666 44 HB VAL 5 HB VAL 5 2.965 -5.924 -1.978 45 1HG1 VAL 5 1HG1 VAL 5 1.464 -6.280 -4.572 46 2HG1 VAL 5 2HG1 VAL 5 1.929 -4.740 -3.844 47 3HG1 VAL 5 3HG1 VAL 5 0.763 -5.785 -3.031 48 1HG2 VAL 5 1HG2 VAL 5 2.797 -8.138 -1.576 49 2HG2 VAL 5 2HG2 VAL 5 2.838 -8.561 -3.288 50 3HG2 VAL 5 3HG2 VAL 5 1.337 -7.991 -2.556 51 H ILE 6 H ILE 6 3.870 -5.206 -5.928 52 HA ILE 6 HA ILE 6 5.155 -2.753 -4.951 53 HB ILE 6 HB ILE 6 4.810 -3.839 -7.745 54 1HG1 ILE 6 2HG1 ILE 6 7.275 -3.148 -6.134 55 2HG1 ILE 6 1HG1 ILE 6 6.649 -4.772 -6.383 56 1HG2 ILE 6 1HG2 ILE 6 5.284 -1.084 -6.838 57 2HG2 ILE 6 2HG2 ILE 6 4.648 -1.687 -8.370 58 3HG2 ILE 6 3HG2 ILE 6 6.389 -1.670 -8.083 59 1HD1 ILE 6 1HD1 ILE 6 8.448 -4.474 -7.886 60 2HD1 ILE 6 2HD1 ILE 6 7.821 -2.919 -8.431 61 3HD1 ILE 6 3HD1 ILE 6 6.968 -4.406 -8.843 62 H LEU 7 H LEU 7 3.910 -1.072 -4.544 63 HA LEU 7 HA LEU 7 1.185 -1.013 -5.625 64 1HB LEU 7 2HB LEU 7 2.259 0.833 -3.512 65 2HB LEU 7 1HB LEU 7 0.598 0.343 -3.798 66 HG LEU 7 HG LEU 7 2.798 -1.330 -2.600 67 1HD1 LEU 7 1HD1 LEU 7 1.781 0.310 -1.097 68 2HD1 LEU 7 2HD1 LEU 7 1.379 -1.342 -0.631 69 3HD1 LEU 7 3HD1 LEU 7 0.186 -0.347 -1.465 70 1HD2 LEU 7 1HD2 LEU 7 -0.035 -2.126 -3.261 71 2HD2 LEU 7 2HD2 LEU 7 1.154 -3.112 -2.408 72 3HD2 LEU 7 3HD2 LEU 7 1.413 -2.683 -4.097 73 H ASN 8 H ASN 8 1.560 -0.214 -7.689 74 HA ASN 8 HA ASN 8 2.975 2.332 -7.951 75 1HB ASN 8 2HB ASN 8 3.552 0.382 -9.409 76 2HB ASN 8 1HB ASN 8 1.944 0.494 -10.115 77 1HD2 ASN 8 1HD2 ASN 8 4.968 1.092 -10.796 78 2HD2 ASN 8 2HD2 ASN 8 4.835 2.527 -11.751 79 H GLY 9 H GLY 9 1.700 4.077 -7.645 80 1HA GLY 9 2HA GLY 9 -0.952 4.031 -8.936 81 2HA GLY 9 1HA GLY 9 -0.594 4.939 -7.474 82 H LYS 10 H LYS 10 -1.625 6.634 -8.885 83 HA LYS 10 HA LYS 10 -0.102 7.671 -11.067 84 1HB LYS 10 2HB LYS 10 -2.349 8.914 -9.479 85 2HB LYS 10 1HB LYS 10 -1.693 9.567 -10.973 86 1HG LYS 10 2HG LYS 10 -2.362 7.463 -12.114 87 2HG LYS 10 1HG LYS 10 -3.149 6.958 -10.619 88 1HD LYS 10 2HD LYS 10 -3.808 9.467 -12.161 89 2HD LYS 10 1HD LYS 10 -4.714 7.959 -12.255 90 1HE LYS 10 2HE LYS 10 -5.894 9.357 -10.756 91 2HE LYS 10 1HE LYS 10 -5.072 8.151 -9.769 92 1HZ LYS 10 1HZ LYS 10 -3.924 9.724 -8.724 93 2HZ LYS 10 2HZ LYS 10 -4.965 10.854 -9.431 94 3HZ LYS 10 3HZ LYS 10 -3.484 10.496 -10.165 95 H THR 11 H THR 11 -0.776 8.919 -7.781 96 HA THR 11 HA THR 11 1.601 10.618 -8.015 97 HB THR 11 HB THR 11 0.433 11.783 -6.024 98 HG1 THR 11 1HG THR 11 -1.881 11.491 -6.160 99 1HG2 THR 11 1HG2 THR 11 0.530 12.899 -8.144 100 2HG2 THR 11 2HG2 THR 11 -1.097 13.055 -7.483 101 3HG2 THR 11 3HG2 THR 11 -0.777 11.895 -8.771 102 H LEU 12 H LEU 12 0.988 7.692 -6.951 103 HA LEU 12 HA LEU 12 2.748 7.998 -4.639 104 1HB LEU 12 2HB LEU 12 0.503 7.877 -3.741 105 2HB LEU 12 1HB LEU 12 0.179 6.427 -4.670 106 HG LEU 12 HG LEU 12 1.749 5.164 -3.346 107 1HD1 LEU 12 1HD1 LEU 12 3.499 6.233 -2.502 108 2HD1 LEU 12 2HD1 LEU 12 2.432 6.844 -1.235 109 3HD1 LEU 12 3HD1 LEU 12 2.712 7.794 -2.691 110 1HD2 LEU 12 1HD2 LEU 12 0.205 4.829 -1.783 111 2HD2 LEU 12 2HD2 LEU 12 -0.635 6.254 -2.396 112 3HD2 LEU 12 3HD2 LEU 12 0.507 6.408 -1.059 113 H LYS 13 H LYS 13 4.226 6.430 -4.375 114 HA LYS 13 HA LYS 13 4.032 3.963 -5.916 115 1HB LYS 13 2HB LYS 13 6.482 5.724 -6.081 116 2HB LYS 13 1HB LYS 13 6.219 4.201 -6.914 117 1HG LYS 13 2HG LYS 13 5.789 5.685 -8.594 118 2HG LYS 13 1HG LYS 13 4.169 5.455 -7.936 119 1HD LYS 13 2HD LYS 13 4.541 7.805 -8.302 120 2HD LYS 13 1HD LYS 13 4.483 7.501 -6.568 121 1HE LYS 13 2HE LYS 13 6.289 9.041 -7.147 122 2HE LYS 13 1HE LYS 13 6.915 7.543 -6.461 123 1HZ LYS 13 1HZ LYS 13 7.761 8.672 -8.760 124 2HZ LYS 13 2HZ LYS 13 6.681 7.501 -9.331 125 3HZ LYS 13 3HZ LYS 13 7.977 7.044 -8.344 126 H GLY 14 H GLY 14 5.186 2.246 -5.012 127 1HA GLY 14 2HA GLY 14 7.163 2.555 -3.016 128 2HA GLY 14 1HA GLY 14 5.601 2.313 -2.253 129 H GLU 15 H GLU 15 6.990 0.454 -1.452 130 HA GLU 15 HA GLU 15 6.299 -1.889 -3.044 131 1HB GLU 15 2HB GLU 15 9.062 -1.406 -1.914 132 2HB GLU 15 1HB GLU 15 8.516 -2.906 -2.650 133 1HG GLU 15 2HG GLU 15 8.180 -1.744 -4.773 134 2HG GLU 15 1HG GLU 15 8.733 -0.242 -4.035 135 H THR 16 H THR 16 5.639 -3.583 -1.854 136 HA THR 16 HA THR 16 6.060 -3.508 1.041 137 HB THR 16 HB THR 16 3.917 -2.636 1.006 138 HG1 THR 16 1HG THR 16 3.375 -5.392 0.892 139 1HG2 THR 16 1HG2 THR 16 2.135 -3.898 -0.493 140 2HG2 THR 16 2HG2 THR 16 3.562 -4.162 -1.495 141 3HG2 THR 16 3HG2 THR 16 3.068 -2.521 -1.082 142 H THR 17 H THR 17 5.382 -5.637 2.088 143 HA THR 17 HA THR 17 5.671 -7.913 0.273 144 HB THR 17 HB THR 17 7.425 -8.892 1.752 145 HG1 THR 17 1HG THR 17 8.500 -7.485 3.157 146 1HG2 THR 17 1HG2 THR 17 8.240 -7.955 -0.255 147 2HG2 THR 17 2HG2 THR 17 9.287 -7.373 1.040 148 3HG2 THR 17 3HG2 THR 17 8.055 -6.311 0.356 149 H THR 18 H THR 18 4.173 -9.340 0.708 150 HA THR 18 HA THR 18 3.129 -9.612 3.466 151 HB THR 18 HB THR 18 1.478 -8.983 1.704 152 HG1 THR 18 1HG THR 18 0.898 -10.295 3.531 153 1HG2 THR 18 1HG2 THR 18 2.468 -10.179 -0.198 154 2HG2 THR 18 2HG2 THR 18 0.767 -10.574 0.046 155 3HG2 THR 18 3HG2 THR 18 2.017 -11.708 0.555 156 H GLU 19 H GLU 19 3.020 -11.685 4.382 157 HA GLU 19 HA GLU 19 4.612 -13.728 2.979 158 1HB GLU 19 2HB GLU 19 5.585 -13.013 5.097 159 2HB GLU 19 1HB GLU 19 4.083 -13.373 5.936 160 1HG GLU 19 2HG GLU 19 4.349 -15.739 5.402 161 2HG GLU 19 1HG GLU 19 5.853 -15.378 4.555 162 H ALA 20 H ALA 20 3.418 -15.273 2.051 163 HA ALA 20 HA ALA 20 1.213 -16.435 3.566 164 1HB ALA 20 1HB ALA 20 -0.330 -15.383 2.365 165 2HB ALA 20 2HB ALA 20 0.207 -16.328 0.976 166 3HB ALA 20 3HB ALA 20 0.883 -14.727 1.268 167 H VAL 21 H VAL 21 0.607 -18.498 2.926 168 HA VAL 21 HA VAL 21 2.598 -20.281 2.302 169 HB VAL 21 HB VAL 21 -0.315 -20.732 1.657 170 1HG1 VAL 21 1HG1 VAL 21 0.184 -22.880 1.350 171 2HG1 VAL 21 2HG1 VAL 21 1.193 -22.935 2.795 172 3HG1 VAL 21 3HG1 VAL 21 1.870 -22.373 1.268 173 1HG2 VAL 21 1HG2 VAL 21 -0.294 -21.715 4.033 174 2HG2 VAL 21 2HG2 VAL 21 -0.385 -19.962 3.851 175 3HG2 VAL 21 3HG2 VAL 21 1.148 -20.727 4.272 176 H ASP 22 H ASP 22 0.671 -18.412 0.090 177 HA ASP 22 HA ASP 22 2.348 -19.247 -2.099 178 1HB ASP 22 2HB ASP 22 0.479 -19.977 -3.565 179 2HB ASP 22 1HB ASP 22 0.756 -21.057 -2.204 180 H ALA 23 H ALA 23 1.547 -18.184 -4.218 181 HA ALA 23 HA ALA 23 1.540 -15.423 -3.843 182 1HB ALA 23 1HB ALA 23 0.386 -16.214 -6.387 183 2HB ALA 23 2HB ALA 23 1.838 -17.133 -5.990 184 3HB ALA 23 3HB ALA 23 1.896 -15.372 -6.044 185 H ALA 24 H ALA 24 -1.130 -17.643 -4.499 186 HA ALA 24 HA ALA 24 -3.117 -15.659 -4.802 187 1HB ALA 24 1HB ALA 24 -4.554 -17.385 -5.062 188 2HB ALA 24 2HB ALA 24 -3.975 -18.222 -3.622 189 3HB ALA 24 3HB ALA 24 -3.079 -18.349 -5.137 190 H THR 25 H THR 25 -2.263 -17.675 -1.962 191 HA THR 25 HA THR 25 -4.011 -16.460 -0.176 192 HB THR 25 HB THR 25 -2.251 -17.155 1.564 193 HG1 THR 25 1HG THR 25 -0.970 -18.902 0.171 194 1HG2 THR 25 1HG2 THR 25 -2.702 -19.536 1.318 195 2HG2 THR 25 2HG2 THR 25 -3.323 -19.249 -0.307 196 3HG2 THR 25 3HG2 THR 25 -4.159 -18.570 1.090 197 H ALA 26 H ALA 26 -0.716 -15.619 -1.134 198 HA ALA 26 HA ALA 26 -0.379 -13.419 0.586 199 1HB ALA 26 1HB ALA 26 1.635 -13.842 -0.347 200 2HB ALA 26 2HB ALA 26 1.090 -12.707 -1.581 201 3HB ALA 26 3HB ALA 26 0.928 -14.444 -1.846 202 H GLU 27 H GLU 27 -1.470 -13.585 -2.813 203 HA GLU 27 HA GLU 27 -2.010 -10.937 -3.271 204 1HB GLU 27 2HB GLU 27 -2.166 -12.669 -4.991 205 2HB GLU 27 1HB GLU 27 -3.595 -13.327 -4.210 206 1HG GLU 27 2HG GLU 27 -4.798 -11.250 -4.656 207 2HG GLU 27 1HG GLU 27 -3.364 -10.591 -5.440 208 H LYS 28 H LYS 28 -4.137 -13.381 -1.836 209 HA LYS 28 HA LYS 28 -6.351 -11.691 -1.419 210 1HB LYS 28 2HB LYS 28 -5.495 -14.189 0.056 211 2HB LYS 28 1HB LYS 28 -7.068 -13.419 0.227 212 1HG LYS 28 2HG LYS 28 -5.938 -14.620 -2.291 213 2HG LYS 28 1HG LYS 28 -7.205 -15.310 -1.272 214 1HD LYS 28 2HD LYS 28 -7.383 -12.666 -2.716 215 2HD LYS 28 1HD LYS 28 -8.103 -14.181 -3.274 216 1HE LYS 28 2HE LYS 28 -8.744 -12.751 -0.696 217 2HE LYS 28 1HE LYS 28 -9.750 -12.775 -2.142 218 1HZ LYS 28 1HZ LYS 28 -9.074 -15.069 -0.389 219 2HZ LYS 28 2HZ LYS 28 -9.838 -15.237 -1.890 220 3HZ LYS 28 3HZ LYS 28 -10.600 -14.382 -0.644 221 H VAL 29 H VAL 29 -3.639 -12.614 0.667 222 HA VAL 29 HA VAL 29 -4.381 -11.296 2.990 223 HB VAL 29 HB VAL 29 -1.602 -11.641 1.841 224 1HG1 VAL 29 1HG1 VAL 29 -2.570 -10.543 4.421 225 2HG1 VAL 29 2HG1 VAL 29 -1.150 -10.114 3.466 226 3HG1 VAL 29 3HG1 VAL 29 -1.141 -11.577 4.451 227 1HG2 VAL 29 1HG2 VAL 29 -3.372 -13.580 2.649 228 2HG2 VAL 29 2HG2 VAL 29 -2.398 -13.313 4.094 229 3HG2 VAL 29 3HG2 VAL 29 -1.618 -13.752 2.575 230 H VAL 30 H VAL 30 -2.695 -10.075 0.141 231 HA VAL 30 HA VAL 30 -2.250 -7.459 1.119 232 HB VAL 30 HB VAL 30 -2.627 -8.323 -1.753 233 1HG1 VAL 30 1HG1 VAL 30 -2.616 -5.801 -0.954 234 2HG1 VAL 30 2HG1 VAL 30 -1.789 -6.305 -2.426 235 3HG1 VAL 30 3HG1 VAL 30 -0.873 -6.066 -0.940 236 1HG2 VAL 30 1HG2 VAL 30 -0.536 -9.141 -1.807 237 2HG2 VAL 30 2HG2 VAL 30 -0.743 -9.298 -0.063 238 3HG2 VAL 30 3HG2 VAL 30 0.088 -7.892 -0.728 239 H LYS 31 H LYS 31 -4.868 -8.896 -0.846 240 HA LYS 31 HA LYS 31 -6.390 -6.647 -1.292 241 1HB LYS 31 2HB LYS 31 -7.251 -9.486 -0.786 242 2HB LYS 31 1HB LYS 31 -8.386 -8.215 -1.227 243 1HG LYS 31 2HG LYS 31 -7.041 -7.820 -3.278 244 2HG LYS 31 1HG LYS 31 -6.072 -9.232 -2.856 245 1HD LYS 31 2HD LYS 31 -7.752 -9.889 -4.447 246 2HD LYS 31 1HD LYS 31 -8.153 -10.591 -2.877 247 1HE LYS 31 2HE LYS 31 -9.776 -8.818 -2.485 248 2HE LYS 31 1HE LYS 31 -9.351 -8.071 -4.026 249 1HZ LYS 31 1HZ LYS 31 -11.224 -9.276 -4.550 250 2HZ LYS 31 2HZ LYS 31 -10.841 -10.561 -3.518 251 3HZ LYS 31 3HZ LYS 31 -10.004 -10.369 -4.976 252 H GLN 32 H GLN 32 -6.444 -8.782 1.533 253 HA GLN 32 HA GLN 32 -8.458 -7.409 2.950 254 1HB GLN 32 2HB GLN 32 -7.649 -9.669 3.564 255 2HB GLN 32 1HB GLN 32 -6.112 -8.974 4.055 256 1HG GLN 32 2HG GLN 32 -7.438 -9.398 5.998 257 2HG GLN 32 1HG GLN 32 -7.282 -7.659 5.774 258 1HE2 GLN 32 1HE2 GLN 32 -9.430 -8.962 3.519 259 2HE2 GLN 32 2HE2 GLN 32 -10.900 -8.600 4.344 260 H PHE 33 H PHE 33 -4.997 -7.002 2.709 261 HA PHE 33 HA PHE 33 -4.484 -5.160 4.710 262 1HB PHE 33 2HB PHE 33 -2.831 -6.324 3.203 263 2HB PHE 33 1HB PHE 33 -3.262 -5.182 1.940 264 HD1 PHE 33 1HD PHE 33 -1.888 -5.396 5.368 265 HD2 PHE 33 2HD PHE 33 -2.167 -3.141 1.763 266 HE1 PHE 33 1HE PHE 33 -0.168 -3.844 6.194 267 HE2 PHE 33 2HE PHE 33 -0.450 -1.592 2.598 268 HZ PHE 33 HZ PHE 33 0.548 -1.952 4.820 269 H PHE 34 H PHE 34 -5.041 -4.404 1.297 270 HA PHE 34 HA PHE 34 -5.492 -1.621 1.742 271 1HB PHE 34 2HB PHE 34 -6.179 -3.316 -0.660 272 2HB PHE 34 1HB PHE 34 -6.159 -1.550 -0.618 273 HD1 PHE 34 1HD PHE 34 -3.828 -0.840 0.807 274 HD2 PHE 34 2HD PHE 34 -4.392 -4.065 -1.900 275 HE1 PHE 34 1HE PHE 34 -1.415 -0.870 0.353 276 HE2 PHE 34 2HE PHE 34 -1.982 -4.100 -2.372 277 HZ PHE 34 HZ PHE 34 -0.494 -2.501 -1.226 278 H ASN 35 H ASN 35 -7.599 -4.398 1.356 279 HA ASN 35 HA ASN 35 -10.074 -3.195 1.124 280 1HB ASN 35 2HB ASN 35 -9.676 -5.634 1.066 281 2HB ASN 35 1HB ASN 35 -9.351 -5.617 2.796 282 1HD2 ASN 35 1HD2 ASN 35 -11.497 -6.588 0.737 283 2HD2 ASN 35 2HD2 ASN 35 -12.972 -6.314 1.598 284 H ASP 36 H ASP 36 -8.071 -3.708 3.931 285 HA ASP 36 HA ASP 36 -9.998 -2.403 5.693 286 1HB ASP 36 2HB ASP 36 -7.369 -3.756 6.325 287 2HB ASP 36 1HB ASP 36 -8.475 -3.084 7.519 288 H ASN 37 H ASN 37 -7.026 -1.654 4.038 289 HA ASN 37 HA ASN 37 -6.400 0.571 5.786 290 1HB ASN 37 2HB ASN 37 -5.248 -0.219 3.099 291 2HB ASN 37 1HB ASN 37 -4.662 1.120 4.077 292 1HD2 ASN 37 1HD2 ASN 37 -3.551 -1.558 3.132 293 2HD2 ASN 37 2HD2 ASN 37 -2.872 -2.237 4.570 294 H GLY 38 H GLY 38 -7.614 0.101 2.515 295 1HA GLY 38 2HA GLY 38 -7.994 2.128 1.114 296 2HA GLY 38 1HA GLY 38 -9.469 1.386 1.693 297 H VAL 39 H VAL 39 -10.894 2.690 2.550 298 HA VAL 39 HA VAL 39 -10.024 5.378 3.382 299 HB VAL 39 HB VAL 39 -12.770 4.483 2.577 300 1HG1 VAL 39 1HG1 VAL 39 -11.556 7.080 3.329 301 2HG1 VAL 39 2HG1 VAL 39 -13.186 6.465 3.610 302 3HG1 VAL 39 3HG1 VAL 39 -12.742 7.091 2.023 303 1HG2 VAL 39 1HG2 VAL 39 -12.362 5.302 0.377 304 2HG2 VAL 39 2HG2 VAL 39 -11.053 4.190 0.775 305 3HG2 VAL 39 3HG2 VAL 39 -10.781 5.931 0.841 306 H ASP 40 H ASP 40 -10.801 2.603 4.990 307 HA ASP 40 HA ASP 40 -12.167 4.134 7.094 308 1HB ASP 40 2HB ASP 40 -12.625 1.237 6.361 309 2HB ASP 40 1HB ASP 40 -13.355 2.066 7.732 310 H GLY 41 H GLY 41 -9.274 3.013 6.409 311 1HA GLY 41 2HA GLY 41 -8.735 1.367 8.715 312 2HA GLY 41 1HA GLY 41 -7.554 1.977 7.570 313 H GLU 42 H GLU 42 -6.758 1.973 10.081 314 HA GLU 42 HA GLU 42 -7.291 4.603 11.250 315 1HB GLU 42 2HB GLU 42 -5.682 2.279 12.331 316 2HB GLU 42 1HB GLU 42 -6.016 3.774 13.192 317 1HG GLU 42 2HG GLU 42 -7.527 2.196 14.039 318 2HG GLU 42 1HG GLU 42 -8.466 3.217 12.953 319 H TRP 43 H TRP 43 -6.145 6.117 10.168 320 HA TRP 43 HA TRP 43 -3.380 5.574 9.426 321 1HB TRP 43 2HB TRP 43 -5.210 7.890 8.795 322 2HB TRP 43 1HB TRP 43 -3.562 7.724 8.200 323 HD1 TRP 43 HD TRP 43 -6.392 5.064 8.256 324 HE1 TRP 43 1HE TRP 43 -6.700 4.207 5.854 325 HE3 TRP 43 3HE TRP 43 -3.037 8.096 5.901 326 HZ2 TRP 43 2HZ TRP 43 -5.640 4.754 3.278 327 HZ3 TRP 43 3HZ TRP 43 -2.741 7.874 3.477 328 HH2 TRP 43 HH TRP 43 -4.019 6.239 2.189 329 H THR 44 H THR 44 -1.804 6.068 10.785 330 HA THR 44 HA THR 44 -2.131 8.393 12.559 331 HB THR 44 HB THR 44 -0.356 7.349 13.950 332 HG1 THR 44 1HG THR 44 0.392 5.343 13.471 333 1HG2 THR 44 1HG2 THR 44 -2.276 5.130 13.682 334 2HG2 THR 44 2HG2 THR 44 -2.947 6.722 14.032 335 3HG2 THR 44 3HG2 THR 44 -1.746 6.013 15.113 336 H TYR 45 H TYR 45 -0.624 10.031 12.475 337 HA TYR 45 HA TYR 45 1.422 9.769 10.369 338 1HB TYR 45 2HB TYR 45 -0.379 11.422 9.924 339 2HB TYR 45 1HB TYR 45 0.092 12.294 11.378 340 HD1 TYR 45 1HD TYR 45 2.508 10.757 9.043 341 HD2 TYR 45 2HD TYR 45 0.623 14.358 10.307 342 HE1 TYR 45 1HE TYR 45 4.125 12.060 7.729 343 HE2 TYR 45 2HE TYR 45 2.239 15.669 8.997 344 HH TYR 45 HH TYR 45 4.434 15.463 8.039 345 H ASP 46 H ASP 46 3.510 10.437 10.745 346 HA ASP 46 HA ASP 46 4.152 11.240 13.505 347 1HB ASP 46 2HB ASP 46 4.797 8.901 13.119 348 2HB ASP 46 1HB ASP 46 5.743 9.387 11.716 349 H ASP 47 H ASP 47 4.147 13.435 12.810 350 HA ASP 47 HA ASP 47 5.454 14.567 10.679 351 1HB ASP 47 2HB ASP 47 5.303 15.710 13.477 352 2HB ASP 47 1HB ASP 47 5.589 16.626 12.000 353 H ALA 48 H ALA 48 6.827 13.462 13.714 354 HA ALA 48 HA ALA 48 9.313 14.617 13.693 355 1HB ALA 48 1HB ALA 48 8.324 13.105 15.447 356 2HB ALA 48 2HB ALA 48 10.042 12.881 15.118 357 3HB ALA 48 3HB ALA 48 8.863 11.748 14.458 358 H THR 49 H THR 49 8.207 11.882 11.769 359 HA THR 49 HA THR 49 10.811 11.917 10.388 360 HB THR 49 HB THR 49 10.477 9.520 9.901 361 HG1 THR 49 1HG THR 49 8.266 9.741 11.660 362 1HG2 THR 49 1HG2 THR 49 10.307 8.888 12.540 363 2HG2 THR 49 2HG2 THR 49 10.840 10.569 12.599 364 3HG2 THR 49 3HG2 THR 49 11.780 9.377 11.702 365 H LYS 50 H LYS 50 7.953 13.123 9.920 366 HA LYS 50 HA LYS 50 6.568 13.533 8.120 367 1HB LYS 50 2HB LYS 50 9.218 13.017 6.765 368 2HB LYS 50 1HB LYS 50 7.803 13.597 5.902 369 1HG LYS 50 2HG LYS 50 8.911 15.056 8.273 370 2HG LYS 50 1HG LYS 50 9.530 15.313 6.641 371 1HD LYS 50 2HD LYS 50 6.674 15.695 7.540 372 2HD LYS 50 1HD LYS 50 7.839 16.977 7.205 373 1HE LYS 50 2HE LYS 50 6.686 14.997 5.249 374 2HE LYS 50 1HE LYS 50 6.401 16.736 5.303 375 1HZ LYS 50 1HZ LYS 50 8.964 15.382 4.665 376 2HZ LYS 50 2HZ LYS 50 8.788 17.053 4.847 377 3HZ LYS 50 3HZ LYS 50 7.983 16.249 3.594 378 H THR 51 H THR 51 6.599 10.800 9.098 379 HA THR 51 HA THR 51 5.917 9.399 6.602 380 HB THR 51 HB THR 51 7.193 8.252 9.089 381 HG1 THR 51 1HG THR 51 8.746 9.217 7.883 382 1HG2 THR 51 1HG2 THR 51 6.686 6.204 8.446 383 2HG2 THR 51 2HG2 THR 51 7.259 6.520 6.809 384 3HG2 THR 51 3HG2 THR 51 5.595 6.897 7.247 385 H PHE 52 H PHE 52 4.122 8.120 6.574 386 HA PHE 52 HA PHE 52 2.300 8.392 8.874 387 1HB PHE 52 2HB PHE 52 1.576 7.793 5.997 388 2HB PHE 52 1HB PHE 52 0.464 8.150 7.312 389 HD1 PHE 52 1HD PHE 52 -0.406 10.266 7.415 390 HD2 PHE 52 2HD PHE 52 3.401 9.690 5.603 391 HE1 PHE 52 1HE PHE 52 -0.335 12.652 6.811 392 HE2 PHE 52 2HE PHE 52 3.481 12.074 5.001 393 HZ PHE 52 HZ PHE 52 1.612 13.558 5.606 394 H THR 53 H THR 53 1.369 6.563 9.755 395 HA THR 53 HA THR 53 2.224 4.000 8.590 396 HB THR 53 HB THR 53 1.855 3.169 11.031 397 HG1 THR 53 1HG THR 53 2.176 4.715 12.580 398 1HG2 THR 53 1HG2 THR 53 4.226 4.353 11.571 399 2HG2 THR 53 2HG2 THR 53 4.183 4.443 9.811 400 3HG2 THR 53 3HG2 THR 53 4.023 2.880 10.616 401 H VAL 54 H VAL 54 0.698 2.739 7.877 402 HA VAL 54 HA VAL 54 -2.068 3.189 8.777 403 HB VAL 54 HB VAL 54 -1.109 1.850 6.236 404 1HG1 VAL 54 1HG1 VAL 54 -3.423 1.839 5.557 405 2HG1 VAL 54 2HG1 VAL 54 -3.902 2.648 7.049 406 3HG1 VAL 54 3HG1 VAL 54 -3.267 1.003 7.102 407 1HG2 VAL 54 1HG2 VAL 54 -2.167 3.897 5.179 408 2HG2 VAL 54 2HG2 VAL 54 -0.637 4.152 6.016 409 3HG2 VAL 54 3HG2 VAL 54 -2.153 4.616 6.789 410 H THR 55 H THR 55 -2.685 1.773 10.275 411 HA THR 55 HA THR 55 -1.537 -0.925 10.217 412 HB THR 55 HB THR 55 -3.116 0.345 12.452 413 HG1 THR 55 1HG THR 55 -1.244 1.531 12.187 414 1HG2 THR 55 1HG2 THR 55 -3.051 -2.020 12.715 415 2HG2 THR 55 2HG2 THR 55 -1.878 -1.319 13.832 416 3HG2 THR 55 3HG2 THR 55 -1.330 -2.070 12.331 417 H GLU 56 H GLU 56 -2.694 -2.390 9.158 418 HA GLU 56 HA GLU 56 -5.564 -2.038 8.879 419 1HB GLU 56 2HB GLU 56 -5.501 -3.775 7.265 420 2HB GLU 56 1HB GLU 56 -4.052 -2.815 7.005 421 1HG GLU 56 2HG GLU 56 -3.276 -4.976 6.826 422 2HG GLU 56 1HG GLU 56 -2.898 -4.567 8.496 423 1H MET 1 1HT MET 1 5.460 18.916 -1.251 424 2H MET 1 2HT MET 1 5.986 18.219 -2.699 425 3H MET 1 3HT MET 1 6.710 19.638 -2.133 426 HA MET 1 HA MET 1 8.262 18.087 -1.534 427 1HB MET 1 2HB MET 1 7.479 19.463 0.374 428 2HB MET 1 1HB MET 1 6.334 18.202 0.796 429 1HG MET 1 2HG MET 1 8.003 16.744 1.500 430 2HG MET 1 1HG MET 1 9.266 17.629 0.645 431 1HE MET 1 1HE MET 1 6.663 17.707 3.448 432 2HE MET 1 2HE MET 1 6.477 19.400 2.993 433 3HE MET 1 3HE MET 1 7.217 18.978 4.538 434 H GLN 2 H GLN 2 8.770 15.955 -0.486 435 HA GLN 2 HA GLN 2 6.799 13.956 -1.362 436 1HB GLN 2 2HB GLN 2 8.907 13.854 -2.578 437 2HB GLN 2 1HB GLN 2 9.801 13.729 -1.073 438 1HG GLN 2 2HG GLN 2 7.755 11.695 -1.896 439 2HG GLN 2 1HG GLN 2 9.434 11.602 -2.416 440 1HE2 GLN 2 1HE2 GLN 2 9.949 12.882 0.432 441 2HE2 GLN 2 2HE2 GLN 2 9.977 11.487 1.443 442 H TYR 3 H TYR 3 6.249 12.240 -0.039 443 HA TYR 3 HA TYR 3 7.262 12.349 2.723 444 1HB TYR 3 2HB TYR 3 4.379 11.974 1.880 445 2HB TYR 3 1HB TYR 3 4.979 11.860 3.531 446 HD1 TYR 3 1HD TYR 3 4.580 13.697 4.855 447 HD2 TYR 3 2HD TYR 3 5.198 14.292 0.685 448 HE1 TYR 3 1HE TYR 3 4.227 16.113 5.151 449 HE2 TYR 3 2HE TYR 3 4.856 16.711 0.973 450 HH TYR 3 HH TYR 3 4.812 18.391 2.576 451 H LYS 4 H LYS 4 7.357 10.380 3.831 452 HA LYS 4 HA LYS 4 7.260 8.026 2.072 453 1HB LYS 4 2HB LYS 4 9.441 8.508 3.091 454 2HB LYS 4 1HB LYS 4 8.713 8.435 4.688 455 1HG LYS 4 2HG LYS 4 8.222 6.092 4.409 456 2HG LYS 4 1HG LYS 4 8.815 6.137 2.749 457 1HD LYS 4 2HD LYS 4 10.513 5.173 4.152 458 2HD LYS 4 1HD LYS 4 11.054 6.764 3.617 459 1HE LYS 4 2HE LYS 4 9.725 6.273 6.273 460 2HE LYS 4 1HE LYS 4 11.471 6.216 6.044 461 1HZ LYS 4 1HZ LYS 4 10.712 8.591 4.925 462 2HZ LYS 4 2HZ LYS 4 11.433 8.386 6.439 463 3HZ LYS 4 3HZ LYS 4 9.751 8.479 6.313 464 H VAL 5 H VAL 5 5.385 6.973 2.242 465 HA VAL 5 HA VAL 5 4.002 6.895 4.812 466 HB VAL 5 HB VAL 5 3.079 5.903 2.110 467 1HG1 VAL 5 1HG1 VAL 5 1.551 6.296 4.682 468 2HG1 VAL 5 2HG1 VAL 5 1.989 4.746 3.961 469 3HG1 VAL 5 3HG1 VAL 5 0.859 5.818 3.131 470 1HG2 VAL 5 1HG2 VAL 5 2.971 8.120 1.706 471 2HG2 VAL 5 2HG2 VAL 5 2.998 8.542 3.418 472 3HG2 VAL 5 3HG2 VAL 5 1.495 8.009 2.665 473 H ILE 6 H ILE 6 3.912 5.164 6.072 474 HA ILE 6 HA ILE 6 5.151 2.679 5.114 475 HB ILE 6 HB ILE 6 4.792 3.776 7.902 476 1HG1 ILE 6 2HG1 ILE 6 7.261 3.024 6.327 477 2HG1 ILE 6 1HG1 ILE 6 6.672 4.664 6.565 478 1HG2 ILE 6 1HG2 ILE 6 5.212 1.010 7.002 479 2HG2 ILE 6 2HG2 ILE 6 4.569 1.627 8.524 480 3HG2 ILE 6 3HG2 ILE 6 6.313 1.568 8.261 481 1HD1 ILE 6 1HD1 ILE 6 8.443 4.321 8.094 482 2HD1 ILE 6 2HD1 ILE 6 7.770 2.782 8.631 483 3HD1 ILE 6 3HD1 ILE 6 6.949 4.290 9.031 484 H LEU 7 H LEU 7 3.870 1.030 4.689 485 HA LEU 7 HA LEU 7 1.130 1.037 5.731 486 1HB LEU 7 2HB LEU 7 2.189 -0.835 3.633 487 2HB LEU 7 1HB LEU 7 0.536 -0.304 3.896 488 HG LEU 7 HG LEU 7 2.792 1.314 2.729 489 1HD1 LEU 7 1HD1 LEU 7 1.756 -0.300 1.211 490 2HD1 LEU 7 2HD1 LEU 7 1.402 1.362 0.740 491 3HD1 LEU 7 3HD1 LEU 7 0.174 0.394 1.556 492 1HD2 LEU 7 1HD2 LEU 7 -0.029 2.179 3.350 493 2HD2 LEU 7 2HD2 LEU 7 1.194 3.136 2.513 494 3HD2 LEU 7 3HD2 LEU 7 1.421 2.701 4.207 495 H ASN 8 H ASN 8 1.457 0.230 7.799 496 HA ASN 8 HA ASN 8 2.805 -2.350 8.081 497 1HB ASN 8 2HB ASN 8 3.408 -0.413 9.548 498 2HB ASN 8 1HB ASN 8 1.788 -0.487 10.231 499 1HD2 ASN 8 1HD2 ASN 8 4.788 -1.158 10.953 500 2HD2 ASN 8 2HD2 ASN 8 4.606 -2.589 11.908 501 H GLY 9 H GLY 9 1.492 -4.063 7.757 502 1HA GLY 9 2HA GLY 9 -1.176 -3.953 9.011 503 2HA GLY 9 1HA GLY 9 -0.819 -4.868 7.554 504 H LYS 10 H LYS 10 -1.911 -6.537 8.949 505 HA LYS 10 HA LYS 10 -0.445 -7.613 11.153 506 1HB LYS 10 2HB LYS 10 -2.699 -8.800 9.533 507 2HB LYS 10 1HB LYS 10 -2.079 -9.469 11.035 508 1HG LYS 10 2HG LYS 10 -2.714 -7.350 12.167 509 2HG LYS 10 1HG LYS 10 -3.466 -6.826 10.661 510 1HD LYS 10 2HD LYS 10 -4.208 -9.318 12.193 511 2HD LYS 10 1HD LYS 10 -5.078 -7.788 12.276 512 1HE LYS 10 2HE LYS 10 -6.270 -9.157 10.759 513 2HE LYS 10 1HE LYS 10 -5.407 -7.970 9.783 514 1HZ LYS 10 1HZ LYS 10 -4.282 -9.572 8.757 515 2HZ LYS 10 2HZ LYS 10 -5.360 -10.674 9.447 516 3HZ LYS 10 3HZ LYS 10 -3.882 -10.355 10.203 517 H THR 11 H THR 11 -1.102 -8.843 7.857 518 HA THR 11 HA THR 11 1.229 -10.600 8.125 519 HB THR 11 HB THR 11 0.062 -11.737 6.116 520 HG1 THR 11 1HG THR 11 -2.246 -11.389 6.220 521 1HG2 THR 11 1HG2 THR 11 0.102 -12.854 8.238 522 2HG2 THR 11 2HG2 THR 11 -1.520 -12.971 7.553 523 3HG2 THR 11 3HG2 THR 11 -1.190 -11.818 8.847 524 H LEU 12 H LEU 12 0.703 -7.660 7.053 525 HA LEU 12 HA LEU 12 2.487 -8.009 4.765 526 1HB LEU 12 2HB LEU 12 0.259 -7.834 3.836 527 2HB LEU 12 1HB LEU 12 -0.043 -6.376 4.761 528 HG LEU 12 HG LEU 12 1.574 -5.152 3.458 529 1HD1 LEU 12 1HD1 LEU 12 3.311 -6.263 2.640 530 2HD1 LEU 12 2HD1 LEU 12 2.248 -6.847 1.357 531 3HD1 LEU 12 3HD1 LEU 12 2.485 -7.804 2.816 532 1HD2 LEU 12 1HD2 LEU 12 0.062 -4.779 1.874 533 2HD2 LEU 12 2HD2 LEU 12 -0.820 -6.183 2.474 534 3HD2 LEU 12 3HD2 LEU 12 0.336 -6.366 1.155 535 H LYS 13 H LYS 13 4.006 -6.477 4.523 536 HA LYS 13 HA LYS 13 3.851 -4.006 6.061 537 1HB LYS 13 2HB LYS 13 6.255 -5.828 6.260 538 2HB LYS 13 1HB LYS 13 6.017 -4.297 7.090 539 1HG LYS 13 2HG LYS 13 5.528 -5.771 8.763 540 2HG LYS 13 1HG LYS 13 3.923 -5.501 8.082 541 1HD LYS 13 2HD LYS 13 4.232 -7.859 8.453 542 2HD LYS 13 1HD LYS 13 4.207 -7.553 6.720 543 1HE LYS 13 2HE LYS 13 5.966 -9.137 7.323 544 2HE LYS 13 1HE LYS 13 6.637 -7.655 6.646 545 1HZ LYS 13 1HZ LYS 13 7.424 -8.803 8.957 546 2HZ LYS 13 2HZ LYS 13 6.365 -7.607 9.512 547 3HZ LYS 13 3HZ LYS 13 7.685 -7.183 8.544 548 H GLY 14 H GLY 14 5.058 -2.317 5.173 549 1HA GLY 14 2HA GLY 14 7.055 -2.676 3.206 550 2HA GLY 14 1HA GLY 14 5.510 -2.396 2.422 551 H GLU 15 H GLU 15 6.955 -0.571 1.639 552 HA GLU 15 HA GLU 15 6.299 1.788 3.223 553 1HB GLU 15 2HB GLU 15 9.066 1.239 2.131 554 2HB GLU 15 1HB GLU 15 8.545 2.751 2.860 555 1HG GLU 15 2HG GLU 15 8.151 1.599 4.977 556 2HG GLU 15 1HG GLU 15 8.679 0.083 4.246 557 H THR 16 H THR 16 5.698 3.498 2.024 558 HA THR 16 HA THR 16 6.158 3.412 -0.866 559 HB THR 16 HB THR 16 3.994 2.592 -0.861 560 HG1 THR 16 1HG THR 16 3.518 5.361 -0.755 561 1HG2 THR 16 1HG2 THR 16 2.222 3.897 0.614 562 2HG2 THR 16 2HG2 THR 16 3.640 4.125 1.636 563 3HG2 THR 16 3HG2 THR 16 3.113 2.499 1.215 564 H THR 17 H THR 17 5.547 5.556 -1.921 565 HA THR 17 HA THR 17 5.864 7.825 -0.102 566 HB THR 17 HB THR 17 7.663 8.762 -1.556 567 HG1 THR 17 1HG THR 17 8.722 7.329 -2.945 568 1HG2 THR 17 1HG2 THR 17 8.427 7.805 0.462 569 2HG2 THR 17 2HG2 THR 17 9.477 7.196 -0.819 570 3HG2 THR 17 3HG2 THR 17 8.210 6.166 -0.152 571 H THR 18 H THR 18 4.409 9.289 -0.559 572 HA THR 18 HA THR 18 3.411 9.585 -3.330 573 HB THR 18 HB THR 18 1.720 8.997 -1.593 574 HG1 THR 18 1HG THR 18 1.198 10.322 -3.428 575 1HG2 THR 18 1HG2 THR 18 2.712 10.169 0.324 576 2HG2 THR 18 2HG2 THR 18 1.024 10.605 0.056 577 3HG2 THR 18 3HG2 THR 18 2.308 11.709 -0.434 578 H GLU 19 H GLU 19 3.365 11.659 -4.248 579 HA GLU 19 HA GLU 19 4.985 13.663 -2.822 580 1HB GLU 19 2HB GLU 19 5.971 12.925 -4.926 581 2HB GLU 19 1HB GLU 19 4.489 13.322 -5.787 582 1HG GLU 19 2HG GLU 19 4.806 15.682 -5.247 583 2HG GLU 19 1HG GLU 19 6.289 15.284 -4.381 584 H ALA 20 H ALA 20 3.818 15.237 -1.910 585 HA ALA 20 HA ALA 20 1.662 16.452 -3.457 586 1HB ALA 20 1HB ALA 20 0.077 15.439 -2.277 587 2HB ALA 20 2HB ALA 20 0.617 16.371 -0.881 588 3HB ALA 20 3HB ALA 20 1.259 14.753 -1.163 589 H VAL 21 H VAL 21 1.098 18.529 -2.824 590 HA VAL 21 HA VAL 21 3.121 20.265 -2.171 591 HB VAL 21 HB VAL 21 0.211 20.785 -1.569 592 1HG1 VAL 21 1HG1 VAL 21 0.759 22.921 -1.254 593 2HG1 VAL 21 2HG1 VAL 21 1.789 22.951 -2.685 594 3HG1 VAL 21 3HG1 VAL 21 2.432 22.373 -1.148 595 1HG2 VAL 21 1HG2 VAL 21 0.291 21.768 -3.944 596 2HG2 VAL 21 2HG2 VAL 21 0.154 20.018 -3.764 597 3HG2 VAL 21 3HG2 VAL 21 1.711 20.745 -4.163 598 H ASP 22 H ASP 22 1.120 18.443 0.011 599 HA ASP 22 HA ASP 22 2.787 19.238 2.224 600 1HB ASP 22 2HB ASP 22 0.914 20.013 3.665 601 2HB ASP 22 1HB ASP 22 1.237 21.087 2.307 602 H ALA 23 H ALA 23 1.928 18.193 4.331 603 HA ALA 23 HA ALA 23 1.859 15.434 3.956 604 1HB ALA 23 1HB ALA 23 0.690 16.254 6.484 605 2HB ALA 23 2HB ALA 23 2.168 17.136 6.108 606 3HB ALA 23 3HB ALA 23 2.183 15.374 6.163 607 H ALA 24 H ALA 24 -0.764 17.718 4.575 608 HA ALA 24 HA ALA 24 -2.803 15.784 4.849 609 1HB ALA 24 1HB ALA 24 -4.202 17.543 5.089 610 2HB ALA 24 2HB ALA 24 -3.581 18.367 3.658 611 3HB ALA 24 3HB ALA 24 -2.705 18.471 5.186 612 H THR 25 H THR 25 -1.861 17.777 2.022 613 HA THR 25 HA THR 25 -3.613 16.605 0.212 614 HB THR 25 HB THR 25 -1.812 17.257 -1.503 615 HG1 THR 25 1HG THR 25 -0.508 18.972 -0.093 616 1HG2 THR 25 1HG2 THR 25 -2.209 19.649 -1.264 617 2HG2 THR 25 2HG2 THR 25 -2.860 19.376 0.352 618 3HG2 THR 25 3HG2 THR 25 -3.692 18.716 -1.056 619 H ALA 26 H ALA 26 -0.352 15.686 1.215 620 HA ALA 26 HA ALA 26 -0.044 13.477 -0.500 621 1HB ALA 26 1HB ALA 26 1.966 13.852 0.461 622 2HB ALA 26 2HB ALA 26 1.376 12.730 1.688 623 3HB ALA 26 3HB ALA 26 1.252 14.471 1.950 624 H GLU 27 H GLU 27 -1.179 13.670 2.885 625 HA GLU 27 HA GLU 27 -1.790 11.035 3.333 626 1HB GLU 27 2HB GLU 27 -1.927 12.772 5.052 627 2HB GLU 27 1HB GLU 27 -3.330 13.465 4.250 628 1HG GLU 27 2HG GLU 27 -4.589 11.416 4.679 629 2HG GLU 27 1HG GLU 27 -3.182 10.723 5.485 630 H LYS 28 H LYS 28 -3.837 13.529 1.868 631 HA LYS 28 HA LYS 28 -6.083 11.896 1.420 632 1HB LYS 28 2HB LYS 28 -5.147 14.372 -0.041 633 2HB LYS 28 1HB LYS 28 -6.736 13.638 -0.236 634 1HG LYS 28 2HG LYS 28 -5.614 14.812 2.299 635 2HG LYS 28 1HG LYS 28 -6.847 15.534 1.262 636 1HD LYS 28 2HD LYS 28 -7.111 12.895 2.705 637 2HD LYS 28 1HD LYS 28 -7.801 14.427 3.251 638 1HE LYS 28 2HE LYS 28 -8.440 13.014 0.663 639 2HE LYS 28 1HE LYS 28 -9.465 13.060 2.097 640 1HZ LYS 28 1HZ LYS 28 -8.710 15.338 0.354 641 2HZ LYS 28 2HZ LYS 28 -9.491 15.524 1.843 642 3HZ LYS 28 3HZ LYS 28 -10.256 14.689 0.587 643 H VAL 29 H VAL 29 -3.322 12.752 -0.627 644 HA VAL 29 HA VAL 29 -4.061 11.450 -2.959 645 HB VAL 29 HB VAL 29 -1.293 11.729 -1.773 646 1HG1 VAL 29 1HG1 VAL 29 -2.250 10.653 -4.365 647 2HG1 VAL 29 2HG1 VAL 29 -0.854 10.191 -3.391 648 3HG1 VAL 29 3HG1 VAL 29 -0.796 11.653 -4.376 649 1HG2 VAL 29 1HG2 VAL 29 -3.003 13.709 -2.605 650 2HG2 VAL 29 2HG2 VAL 29 -2.016 13.419 -4.037 651 3HG2 VAL 29 3HG2 VAL 29 -1.246 13.840 -2.507 652 H VAL 30 H VAL 30 -2.447 10.189 -0.089 653 HA VAL 30 HA VAL 30 -2.053 7.564 -1.061 654 HB VAL 30 HB VAL 30 -2.448 8.437 1.806 655 1HG1 VAL 30 1HG1 VAL 30 -2.487 5.915 1.007 656 2HG1 VAL 30 2HG1 VAL 30 -1.669 6.400 2.492 657 3HG1 VAL 30 3HG1 VAL 30 -0.738 6.138 1.017 658 1HG2 VAL 30 1HG2 VAL 30 -0.339 9.205 1.890 659 2HG2 VAL 30 2HG2 VAL 30 -0.518 9.366 0.143 660 3HG2 VAL 30 3HG2 VAL 30 0.270 7.940 0.821 661 H LYS 31 H LYS 31 -4.662 9.064 0.869 662 HA LYS 31 HA LYS 31 -6.244 6.853 1.293 663 1HB LYS 31 2HB LYS 31 -7.029 9.711 0.775 664 2HB LYS 31 1HB LYS 31 -8.201 8.469 1.199 665 1HG LYS 31 2HG LYS 31 -6.895 8.041 3.270 666 2HG LYS 31 1HG LYS 31 -5.886 9.429 2.861 667 1HD LYS 31 2HD LYS 31 -7.573 10.128 4.428 668 2HD LYS 31 1HD LYS 31 -7.934 10.839 2.853 669 1HE LYS 31 2HE LYS 31 -9.593 9.105 2.438 670 2HE LYS 31 1HE LYS 31 -9.209 8.349 3.984 671 1HZ LYS 31 1HZ LYS 31 -11.058 9.599 4.482 672 2HZ LYS 31 2HZ LYS 31 -10.629 10.873 3.457 673 3HZ LYS 31 3HZ LYS 31 -9.819 10.663 4.925 674 H GLN 32 H GLN 32 -6.206 8.990 -1.534 675 HA GLN 32 HA GLN 32 -8.234 7.665 -2.978 676 1HB GLN 32 2HB GLN 32 -7.361 9.905 -3.582 677 2HB GLN 32 1HB GLN 32 -5.835 9.171 -4.050 678 1HG GLN 32 2HG GLN 32 -7.121 9.628 -6.012 679 2HG GLN 32 1HG GLN 32 -7.012 7.886 -5.786 680 1HE2 GLN 32 1HE2 GLN 32 -9.159 9.240 -3.560 681 2HE2 GLN 32 2HE2 GLN 32 -10.625 8.915 -4.407 682 H PHE 33 H PHE 33 -4.787 7.174 -2.689 683 HA PHE 33 HA PHE 33 -4.290 5.320 -4.683 684 1HB PHE 33 2HB PHE 33 -2.631 6.443 -3.152 685 2HB PHE 33 1HB PHE 33 -3.109 5.312 -1.895 686 HD1 PHE 33 1HD PHE 33 -1.680 5.493 -5.303 687 HD2 PHE 33 2HD PHE 33 -2.065 3.244 -1.703 688 HE1 PHE 33 1HE PHE 33 0.012 3.898 -6.106 689 HE2 PHE 33 2HE PHE 33 -0.373 1.654 -2.514 690 HZ PHE 33 HZ PHE 33 0.663 1.990 -4.722 691 H PHE 34 H PHE 34 -4.913 4.577 -1.279 692 HA PHE 34 HA PHE 34 -5.425 1.806 -1.730 693 1HB PHE 34 2HB PHE 34 -6.105 3.518 0.663 694 2HB PHE 34 1HB PHE 34 -6.128 1.752 0.620 695 HD1 PHE 34 1HD PHE 34 -3.794 0.986 -0.772 696 HD2 PHE 34 2HD PHE 34 -4.319 4.223 1.927 697 HE1 PHE 34 1HE PHE 34 -1.388 0.957 -0.284 698 HE2 PHE 34 2HE PHE 34 -1.915 4.199 2.433 699 HZ PHE 34 HZ PHE 34 -0.451 2.564 1.309 700 H ASN 35 H ASN 35 -7.470 4.633 -1.373 701 HA ASN 35 HA ASN 35 -9.976 3.492 -1.176 702 1HB ASN 35 2HB ASN 35 -9.520 5.921 -1.112 703 2HB ASN 35 1HB ASN 35 -9.171 5.894 -2.837 704 1HD2 ASN 35 1HD2 ASN 35 -11.322 6.917 -0.809 705 2HD2 ASN 35 2HD2 ASN 35 -12.791 6.680 -1.690 706 H ASP 36 H ASP 36 -7.923 3.955 -3.954 707 HA ASP 36 HA ASP 36 -9.856 2.698 -5.744 708 1HB ASP 36 2HB ASP 36 -7.185 3.985 -6.338 709 2HB ASP 36 1HB ASP 36 -8.289 3.341 -7.549 710 H ASN 37 H ASN 37 -6.926 1.876 -4.047 711 HA ASN 37 HA ASN 37 -6.329 -0.364 -5.787 712 1HB ASN 37 2HB ASN 37 -5.197 0.397 -3.084 713 2HB ASN 37 1HB ASN 37 -4.630 -0.956 -4.055 714 1HD2 ASN 37 1HD2 ASN 37 -3.468 1.697 -3.093 715 2HD2 ASN 37 2HD2 ASN 37 -2.753 2.358 -4.521 716 H GLY 38 H GLY 38 -7.577 0.137 -2.533 717 1HA GLY 38 2HA GLY 38 -8.026 -1.881 -1.138 718 2HA GLY 38 1HA GLY 38 -9.475 -1.104 -1.737 719 H VAL 39 H VAL 39 -10.919 -2.372 -2.615 720 HA VAL 39 HA VAL 39 -10.103 -5.082 -3.435 721 HB VAL 39 HB VAL 39 -12.838 -4.119 -2.669 722 1HG1 VAL 39 1HG1 VAL 39 -11.677 -6.745 -3.404 723 2HG1 VAL 39 2HG1 VAL 39 -13.287 -6.090 -3.708 724 3HG1 VAL 39 3HG1 VAL 39 -12.880 -6.726 -2.115 725 1HG2 VAL 39 1HG2 VAL 39 -12.480 -4.949 -0.464 726 2HG2 VAL 39 2HG2 VAL 39 -11.139 -3.869 -0.843 727 3HG2 VAL 39 3HG2 VAL 39 -10.908 -5.616 -0.906 728 H ASP 40 H ASP 40 -10.789 -2.288 -5.054 729 HA ASP 40 HA ASP 40 -12.163 -3.786 -7.176 730 1HB ASP 40 2HB ASP 40 -12.560 -0.879 -6.448 731 2HB ASP 40 1HB ASP 40 -13.290 -1.690 -7.831 732 H GLY 41 H GLY 41 -9.253 -2.735 -6.452 733 1HA GLY 41 2HA GLY 41 -8.642 -1.103 -8.748 734 2HA GLY 41 1HA GLY 41 -7.491 -1.742 -7.586 735 H GLU 42 H GLU 42 -6.661 -1.758 -10.086 736 HA GLU 42 HA GLU 42 -7.241 -4.373 -11.263 737 1HB GLU 42 2HB GLU 42 -5.560 -2.089 -12.321 738 2HB GLU 42 1HB GLU 42 -5.920 -3.577 -13.187 739 1HG GLU 42 2HG GLU 42 -7.379 -1.963 -14.055 740 2HG GLU 42 1HG GLU 42 -8.358 -2.960 -12.981 741 H TRP 43 H TRP 43 -6.147 -5.915 -10.165 742 HA TRP 43 HA TRP 43 -3.382 -5.438 -9.385 743 1HB TRP 43 2HB TRP 43 -5.275 -7.709 -8.780 744 2HB TRP 43 1HB TRP 43 -3.633 -7.584 -8.162 745 HD1 TRP 43 HD TRP 43 -6.396 -4.856 -8.257 746 HE1 TRP 43 1HE TRP 43 -6.718 -3.990 -5.859 747 HE3 TRP 43 3HE TRP 43 -3.149 -7.969 -5.855 748 HZ2 TRP 43 2HZ TRP 43 -5.708 -4.564 -3.270 749 HZ3 TRP 43 3HZ TRP 43 -2.882 -7.753 -3.428 750 HH2 TRP 43 HH TRP 43 -4.138 -6.087 -2.158 751 H THR 44 H THR 44 -1.799 -5.971 -10.720 752 HA THR 44 HA THR 44 -2.157 -8.289 -12.499 753 HB THR 44 HB THR 44 -0.338 -7.287 -13.866 754 HG1 THR 44 1HG THR 44 0.453 -5.301 -13.376 755 1HG2 THR 44 1HG2 THR 44 -2.207 -5.022 -13.624 756 2HG2 THR 44 2HG2 THR 44 -2.911 -6.599 -13.984 757 3HG2 THR 44 3HG2 THR 44 -1.678 -5.919 -15.047 758 H TYR 45 H TYR 45 -0.691 -9.963 -12.396 759 HA TYR 45 HA TYR 45 1.330 -9.751 -10.261 760 1HB TYR 45 2HB TYR 45 -0.517 -11.359 -9.841 761 2HB TYR 45 1HB TYR 45 -0.047 -12.241 -11.289 762 HD1 TYR 45 1HD TYR 45 2.372 -10.765 -8.919 763 HD2 TYR 45 2HD TYR 45 0.421 -14.317 -10.210 764 HE1 TYR 45 1HE TYR 45 3.940 -12.106 -7.583 765 HE2 TYR 45 2HE TYR 45 1.985 -15.668 -8.877 766 HH TYR 45 HH TYR 45 4.171 -15.514 -7.889 767 H ASP 46 H ASP 46 3.408 -10.469 -10.606 768 HA ASP 46 HA ASP 46 4.068 -11.287 -13.358 769 1HB ASP 46 2HB ASP 46 4.765 -8.964 -12.962 770 2HB ASP 46 1HB ASP 46 5.678 -9.473 -11.546 771 H ASP 47 H ASP 47 4.001 -13.482 -12.664 772 HA ASP 47 HA ASP 47 5.248 -14.644 -10.514 773 1HB ASP 47 2HB ASP 47 5.110 -15.784 -13.314 774 2HB ASP 47 1HB ASP 47 5.352 -16.706 -11.833 775 H ALA 48 H ALA 48 6.690 -13.573 -13.529 776 HA ALA 48 HA ALA 48 9.147 -14.790 -13.472 777 1HB ALA 48 1HB ALA 48 8.221 -13.253 -15.240 778 2HB ALA 48 2HB ALA 48 9.939 -13.071 -14.888 779 3HB ALA 48 3HB ALA 48 8.778 -11.909 -14.245 780 H THR 49 H THR 49 8.081 -12.027 -11.565 781 HA THR 49 HA THR 49 10.664 -12.127 -10.147 782 HB THR 49 HB THR 49 10.381 -9.720 -9.664 783 HG1 THR 49 1HG THR 49 8.190 -9.888 -11.455 784 1HG2 THR 49 1HG2 THR 49 10.264 -9.085 -12.305 785 2HG2 THR 49 2HG2 THR 49 10.757 -10.779 -12.358 786 3HG2 THR 49 3HG2 THR 49 11.713 -9.609 -11.448 787 H LYS 50 H LYS 50 7.771 -13.261 -9.720 788 HA LYS 50 HA LYS 50 6.351 -13.637 -7.939 789 1HB LYS 50 2HB LYS 50 8.993 -13.187 -6.547 790 2HB LYS 50 1HB LYS 50 7.552 -13.730 -5.704 791 1HG LYS 50 2HG LYS 50 8.659 -15.217 -8.060 792 2HG LYS 50 1HG LYS 50 9.248 -15.488 -6.419 793 1HD LYS 50 2HD LYS 50 6.397 -15.800 -7.359 794 2HD LYS 50 1HD LYS 50 7.525 -17.110 -7.007 795 1HE LYS 50 2HE LYS 50 6.394 -15.103 -5.067 796 2HE LYS 50 1HE LYS 50 6.067 -16.834 -5.126 797 1HZ LYS 50 1HZ LYS 50 8.653 -15.543 -4.451 798 2HZ LYS 50 2HZ LYS 50 8.439 -17.210 -4.635 799 3HZ LYS 50 3HZ LYS 50 7.636 -16.386 -3.395 800 H THR 51 H THR 51 6.462 -10.907 -8.918 801 HA THR 51 HA THR 51 5.779 -9.490 -6.430 802 HB THR 51 HB THR 51 7.119 -8.373 -8.898 803 HG1 THR 51 1HG THR 51 8.630 -9.375 -7.671 804 1HG2 THR 51 1HG2 THR 51 6.652 -6.312 -8.262 805 2HG2 THR 51 2HG2 THR 51 7.194 -6.644 -6.617 806 3HG2 THR 51 3HG2 THR 51 5.527 -6.980 -7.079 807 H PHE 52 H PHE 52 4.016 -8.166 -6.425 808 HA PHE 52 HA PHE 52 2.221 -8.394 -8.754 809 1HB PHE 52 2HB PHE 52 1.472 -7.778 -5.887 810 2HB PHE 52 1HB PHE 52 0.369 -8.107 -7.217 811 HD1 PHE 52 1HD PHE 52 -0.550 -10.203 -7.333 812 HD2 PHE 52 2HD PHE 52 3.244 -9.718 -5.467 813 HE1 PHE 52 1HE PHE 52 -0.546 -12.589 -6.729 814 HE2 PHE 52 2HE PHE 52 3.256 -12.103 -4.863 815 HZ PHE 52 HZ PHE 52 1.361 -13.541 -5.496 816 H THR 53 H THR 53 1.347 -6.544 -9.646 817 HA THR 53 HA THR 53 2.248 -4.001 -8.469 818 HB THR 53 HB THR 53 1.933 -3.162 -10.915 819 HG1 THR 53 1HG THR 53 2.238 -4.716 -12.459 820 1HG2 THR 53 1HG2 THR 53 4.281 -4.402 -11.421 821 2HG2 THR 53 2HG2 THR 53 4.212 -4.492 -9.662 822 3HG2 THR 53 3HG2 THR 53 4.102 -2.926 -10.471 823 H VAL 54 H VAL 54 0.742 -2.704 -7.776 824 HA VAL 54 HA VAL 54 -2.021 -3.086 -8.716 825 HB VAL 54 HB VAL 54 -1.065 -1.771 -6.162 826 1HG1 VAL 54 1HG1 VAL 54 -3.389 -1.703 -5.515 827 2HG1 VAL 54 2HG1 VAL 54 -3.865 -2.500 -7.015 828 3HG1 VAL 54 3HG1 VAL 54 -3.190 -0.872 -7.058 829 1HG2 VAL 54 1HG2 VAL 54 -2.189 -3.792 -5.120 830 2HG2 VAL 54 2HG2 VAL 54 -0.652 -4.084 -5.936 831 3HG2 VAL 54 3HG2 VAL 54 -2.168 -4.511 -6.730 832 H THR 55 H THR 55 -2.583 -1.657 -10.223 833 HA THR 55 HA THR 55 -1.370 1.012 -10.149 834 HB THR 55 HB THR 55 -2.947 -0.218 -12.406 835 HG1 THR 55 1HG THR 55 -1.109 -1.449 -12.114 836 1HG2 THR 55 1HG2 THR 55 -2.821 2.143 -12.667 837 2HG2 THR 55 2HG2 THR 55 -1.649 1.414 -13.767 838 3HG2 THR 55 3HG2 THR 55 -1.104 2.151 -12.258 839 H GLU 56 H GLU 56 -2.506 2.507 -9.106 840 HA GLU 56 HA GLU 56 -5.387 2.224 -8.868 841 1HB GLU 56 2HB GLU 56 -5.304 3.958 -7.253 842 2HB GLU 56 1HB GLU 56 -3.884 2.965 -6.972 843 1HG GLU 56 2HG GLU 56 -3.057 5.106 -6.782 844 2HG GLU 56 1HG GLU 56 -2.665 4.687 -8.445 Start of MODEL 34 1 1H MET 1 1HT MET 1 4.815 -18.362 1.922 2 2H MET 1 2HT MET 1 6.221 -18.788 2.760 3 3H MET 1 3HT MET 1 5.677 -19.750 1.481 4 HA MET 1 HA MET 1 7.621 -18.148 1.077 5 1HB MET 1 2HB MET 1 6.510 -19.469 -0.652 6 2HB MET 1 1HB MET 1 5.193 -18.307 -0.724 7 1HG MET 1 2HG MET 1 6.688 -18.017 -2.595 8 2HG MET 1 1HG MET 1 6.738 -16.605 -1.541 9 1HE MET 1 1HE MET 1 8.984 -15.815 -2.768 10 2HE MET 1 2HE MET 1 8.900 -17.242 -3.803 11 3HE MET 1 3HE MET 1 10.399 -16.851 -2.958 12 H GLN 2 H GLN 2 8.146 -16.040 0.441 13 HA GLN 2 HA GLN 2 6.258 -13.994 1.373 14 1HB GLN 2 2HB GLN 2 8.422 -14.016 2.529 15 2HB GLN 2 1HB GLN 2 9.257 -13.852 0.993 16 1HG GLN 2 2HG GLN 2 8.236 -11.658 0.667 17 2HG GLN 2 1HG GLN 2 7.394 -11.822 2.207 18 1HE2 GLN 2 1HE2 GLN 2 9.934 -10.395 0.782 19 2HE2 GLN 2 2HE2 GLN 2 10.994 -10.222 2.137 20 H TYR 3 H TYR 3 5.691 -12.285 0.065 21 HA TYR 3 HA TYR 3 6.699 -12.365 -2.698 22 1HB TYR 3 2HB TYR 3 3.839 -12.016 -1.786 23 2HB TYR 3 1HB TYR 3 4.388 -11.722 -3.433 24 HD1 TYR 3 1HD TYR 3 4.505 -13.481 -4.969 25 HD2 TYR 3 2HD TYR 3 4.200 -14.368 -0.820 26 HE1 TYR 3 1HE TYR 3 4.214 -15.860 -5.510 27 HE2 TYR 3 2HE TYR 3 3.901 -16.752 -1.347 28 HH TYR 3 HH TYR 3 3.221 -17.878 -4.455 29 H LYS 4 H LYS 4 6.945 -10.418 -3.755 30 HA LYS 4 HA LYS 4 6.963 -8.065 -2.009 31 1HB LYS 4 2HB LYS 4 9.078 -8.626 -3.106 32 2HB LYS 4 1HB LYS 4 8.296 -8.561 -4.679 33 1HG LYS 4 2HG LYS 4 9.547 -6.548 -4.348 34 2HG LYS 4 1HG LYS 4 7.826 -6.160 -4.298 35 1HD LYS 4 2HD LYS 4 8.957 -4.969 -2.534 36 2HD LYS 4 1HD LYS 4 7.932 -6.218 -1.823 37 1HE LYS 4 2HE LYS 4 10.118 -6.126 -0.732 38 2HE LYS 4 1HE LYS 4 9.862 -7.672 -1.543 39 1HZ LYS 4 1HZ LYS 4 11.248 -6.958 -3.347 40 2HZ LYS 4 2HZ LYS 4 12.097 -6.743 -1.902 41 3HZ LYS 4 3HZ LYS 4 11.410 -5.409 -2.684 42 H VAL 5 H VAL 5 5.118 -6.931 -2.101 43 HA VAL 5 HA VAL 5 3.658 -6.774 -4.626 44 HB VAL 5 HB VAL 5 2.863 -5.727 -1.906 45 1HG1 VAL 5 1HG1 VAL 5 0.557 -5.816 -3.000 46 2HG1 VAL 5 2HG1 VAL 5 1.422 -5.925 -4.533 47 3HG1 VAL 5 3HG1 VAL 5 1.638 -4.515 -3.498 48 1HG2 VAL 5 1HG2 VAL 5 2.694 -8.391 -3.120 49 2HG2 VAL 5 2HG2 VAL 5 1.183 -7.799 -2.428 50 3HG2 VAL 5 3HG2 VAL 5 2.631 -7.909 -1.425 51 H ILE 6 H ILE 6 3.745 -5.067 -5.900 52 HA ILE 6 HA ILE 6 5.096 -2.645 -4.938 53 HB ILE 6 HB ILE 6 4.626 -3.629 -7.757 54 1HG1 ILE 6 2HG1 ILE 6 7.158 -3.405 -6.115 55 2HG1 ILE 6 1HG1 ILE 6 6.328 -4.902 -6.527 56 1HG2 ILE 6 1HG2 ILE 6 4.813 -1.476 -8.318 57 2HG2 ILE 6 2HG2 ILE 6 6.518 -1.653 -7.906 58 3HG2 ILE 6 3HG2 ILE 6 5.386 -1.013 -6.716 59 1HD1 ILE 6 1HD1 ILE 6 7.757 -3.022 -8.382 60 2HD1 ILE 6 2HD1 ILE 6 6.727 -4.344 -8.936 61 3HD1 ILE 6 3HD1 ILE 6 8.173 -4.690 -7.988 62 H LEU 7 H LEU 7 3.867 -0.952 -4.480 63 HA LEU 7 HA LEU 7 1.172 -0.781 -5.622 64 1HB LEU 7 2HB LEU 7 2.255 1.015 -3.470 65 2HB LEU 7 1HB LEU 7 0.587 0.582 -3.801 66 HG LEU 7 HG LEU 7 2.690 -1.151 -2.531 67 1HD1 LEU 7 1HD1 LEU 7 1.637 0.512 -1.079 68 2HD1 LEU 7 2HD1 LEU 7 1.176 -1.130 -0.632 69 3HD1 LEU 7 3HD1 LEU 7 0.050 -0.109 -1.523 70 1HD2 LEU 7 1HD2 LEU 7 1.285 -2.416 -4.141 71 2HD2 LEU 7 2HD2 LEU 7 -0.141 -1.907 -3.237 72 3HD2 LEU 7 3HD2 LEU 7 1.076 -2.925 -2.466 73 H ASN 8 H ASN 8 1.747 -0.052 -7.675 74 HA ASN 8 HA ASN 8 3.272 2.411 -7.910 75 1HB ASN 8 2HB ASN 8 3.747 0.472 -9.379 76 2HB ASN 8 1HB ASN 8 2.136 0.630 -10.070 77 1HD2 ASN 8 1HD2 ASN 8 5.210 1.178 -10.714 78 2HD2 ASN 8 2HD2 ASN 8 5.096 2.583 -11.714 79 H GLY 9 H GLY 9 2.090 4.175 -7.466 80 1HA GLY 9 2HA GLY 9 -0.437 4.511 -8.956 81 2HA GLY 9 1HA GLY 9 -0.164 5.190 -7.358 82 H LYS 10 H LYS 10 -0.882 6.578 -9.824 83 HA LYS 10 HA LYS 10 1.186 7.843 -11.098 84 1HB LYS 10 2HB LYS 10 -1.557 8.815 -10.350 85 2HB LYS 10 1HB LYS 10 -0.444 9.831 -11.253 86 1HG LYS 10 2HG LYS 10 -1.979 8.710 -12.747 87 2HG LYS 10 1HG LYS 10 -0.333 8.137 -13.017 88 1HD LYS 10 2HD LYS 10 -0.793 6.132 -11.730 89 2HD LYS 10 1HD LYS 10 -2.420 6.715 -11.369 90 1HE LYS 10 2HE LYS 10 -2.437 5.069 -13.176 91 2HE LYS 10 1HE LYS 10 -2.982 6.649 -13.736 92 1HZ LYS 10 1HZ LYS 10 -1.210 5.232 -15.054 93 2HZ LYS 10 2HZ LYS 10 -0.143 6.034 -14.015 94 3HZ LYS 10 3HZ LYS 10 -1.159 6.924 -15.030 95 H THR 11 H THR 11 -0.446 8.978 -8.140 96 HA THR 11 HA THR 11 1.685 10.920 -7.714 97 HB THR 11 HB THR 11 0.099 11.687 -5.873 98 HG1 THR 11 1HG THR 11 -2.094 10.972 -6.258 99 1HG2 THR 11 1HG2 THR 11 -0.739 13.186 -7.281 100 2HG2 THR 11 2HG2 THR 11 -1.580 11.950 -8.216 101 3HG2 THR 11 3HG2 THR 11 0.113 12.310 -8.552 102 H LEU 12 H LEU 12 0.951 7.795 -6.815 103 HA LEU 12 HA LEU 12 2.648 8.045 -4.439 104 1HB LEU 12 2HB LEU 12 0.337 7.858 -3.683 105 2HB LEU 12 1HB LEU 12 0.121 6.408 -4.644 106 HG LEU 12 HG LEU 12 1.545 5.149 -3.229 107 1HD1 LEU 12 1HD1 LEU 12 2.353 6.721 -1.139 108 2HD1 LEU 12 2HD1 LEU 12 2.566 7.779 -2.530 109 3HD1 LEU 12 3HD1 LEU 12 3.361 6.214 -2.495 110 1HD2 LEU 12 1HD2 LEU 12 0.305 6.588 -1.023 111 2HD2 LEU 12 2HD2 LEU 12 0.053 4.935 -1.585 112 3HD2 LEU 12 3HD2 LEU 12 -0.804 6.270 -2.357 113 H LYS 13 H LYS 13 4.203 6.527 -4.246 114 HA LYS 13 HA LYS 13 4.035 4.090 -5.842 115 1HB LYS 13 2HB LYS 13 6.337 6.039 -6.063 116 2HB LYS 13 1HB LYS 13 6.304 4.428 -6.767 117 1HG LYS 13 2HG LYS 13 4.411 5.073 -8.169 118 2HG LYS 13 1HG LYS 13 4.437 6.688 -7.460 119 1HD LYS 13 2HD LYS 13 6.698 7.035 -8.329 120 2HD LYS 13 1HD LYS 13 6.679 5.415 -9.031 121 1HE LYS 13 2HE LYS 13 6.181 7.113 -10.713 122 2HE LYS 13 1HE LYS 13 4.803 6.044 -10.456 123 1HZ LYS 13 1HZ LYS 13 3.558 7.709 -9.642 124 2HZ LYS 13 2HZ LYS 13 4.638 8.704 -10.480 125 3HZ LYS 13 3HZ LYS 13 4.845 8.439 -8.821 126 H GLY 14 H GLY 14 5.194 2.368 -4.997 127 1HA GLY 14 2HA GLY 14 7.241 2.599 -3.075 128 2HA GLY 14 1HA GLY 14 5.707 2.403 -2.245 129 H GLU 15 H GLU 15 6.937 0.479 -1.466 130 HA GLU 15 HA GLU 15 6.146 -1.824 -3.059 131 1HB GLU 15 2HB GLU 15 8.972 -1.436 -2.050 132 2HB GLU 15 1HB GLU 15 8.343 -2.922 -2.748 133 1HG GLU 15 2HG GLU 15 7.939 -1.749 -4.860 134 2HG GLU 15 1HG GLU 15 8.598 -0.273 -4.157 135 H THR 16 H THR 16 5.620 -3.595 -1.858 136 HA THR 16 HA THR 16 6.123 -3.543 1.016 137 HB THR 16 HB THR 16 4.009 -2.597 1.119 138 HG1 THR 16 1HG THR 16 3.367 -5.326 0.982 139 1HG2 THR 16 1HG2 THR 16 3.658 -3.347 -1.490 140 2HG2 THR 16 2HG2 THR 16 2.457 -2.572 -0.465 141 3HG2 THR 16 3HG2 THR 16 2.469 -4.326 -0.632 142 H THR 17 H THR 17 5.365 -5.674 2.060 143 HA THR 17 HA THR 17 5.512 -7.917 0.190 144 HB THR 17 HB THR 17 7.279 -9.005 1.554 145 HG1 THR 17 1HG THR 17 7.546 -6.449 2.748 146 1HG2 THR 17 1HG2 THR 17 8.096 -7.995 -0.403 147 2HG2 THR 17 2HG2 THR 17 9.170 -7.482 0.898 148 3HG2 THR 17 3HG2 THR 17 7.944 -6.375 0.277 149 H THR 18 H THR 18 4.010 -9.336 0.652 150 HA THR 18 HA THR 18 2.997 -9.590 3.421 151 HB THR 18 HB THR 18 1.324 -8.988 1.677 152 HG1 THR 18 1HG THR 18 0.785 -10.336 3.507 153 1HG2 THR 18 1HG2 THR 18 0.591 -10.845 0.143 154 2HG2 THR 18 2HG2 THR 18 2.155 -11.596 0.453 155 3HG2 THR 18 3HG2 THR 18 2.076 -10.005 -0.305 156 H GLU 19 H GLU 19 2.894 -11.639 4.368 157 HA GLU 19 HA GLU 19 4.514 -13.708 3.034 158 1HB GLU 19 2HB GLU 19 5.348 -12.969 5.221 159 2HB GLU 19 1HB GLU 19 3.802 -13.368 5.958 160 1HG GLU 19 2HG GLU 19 5.444 -15.082 6.425 161 2HG GLU 19 1HG GLU 19 4.144 -15.721 5.420 162 H ALA 20 H ALA 20 3.307 -15.211 2.009 163 HA ALA 20 HA ALA 20 1.034 -16.352 3.444 164 1HB ALA 20 1HB ALA 20 -0.536 -15.966 1.809 165 2HB ALA 20 2HB ALA 20 0.678 -15.735 0.549 166 3HB ALA 20 3HB ALA 20 0.402 -14.473 1.749 167 H VAL 21 H VAL 21 0.499 -18.430 2.864 168 HA VAL 21 HA VAL 21 2.508 -20.201 2.262 169 HB VAL 21 HB VAL 21 -0.403 -20.693 1.637 170 1HG1 VAL 21 1HG1 VAL 21 1.833 -22.562 2.410 171 2HG1 VAL 21 2HG1 VAL 21 1.080 -22.428 0.819 172 3HG1 VAL 21 3HG1 VAL 21 0.144 -23.021 2.192 173 1HG2 VAL 21 1HG2 VAL 21 1.073 -20.640 4.245 174 2HG2 VAL 21 2HG2 VAL 21 -0.363 -21.641 4.025 175 3HG2 VAL 21 3HG2 VAL 21 -0.468 -19.892 3.822 176 H ASP 22 H ASP 22 0.558 -18.389 0.033 177 HA ASP 22 HA ASP 22 2.222 -19.266 -2.159 178 1HB ASP 22 2HB ASP 22 0.416 -20.046 -3.598 179 2HB ASP 22 1HB ASP 22 0.492 -21.017 -2.131 180 H ALA 23 H ALA 23 1.262 -18.237 -4.300 181 HA ALA 23 HA ALA 23 1.428 -15.460 -3.966 182 1HB ALA 23 1HB ALA 23 2.043 -16.693 -6.031 183 2HB ALA 23 2HB ALA 23 1.017 -15.289 -6.326 184 3HB ALA 23 3HB ALA 23 0.325 -16.910 -6.363 185 H ALA 24 H ALA 24 -1.373 -17.550 -4.515 186 HA ALA 24 HA ALA 24 -3.273 -15.474 -4.758 187 1HB ALA 24 1HB ALA 24 -4.065 -17.531 -5.490 188 2HB ALA 24 2HB ALA 24 -4.873 -17.358 -3.932 189 3HB ALA 24 3HB ALA 24 -3.449 -18.388 -4.077 190 H THR 25 H THR 25 -2.410 -17.505 -1.935 191 HA THR 25 HA THR 25 -4.002 -16.284 -0.045 192 HB THR 25 HB THR 25 -2.247 -16.984 1.592 193 HG1 THR 25 1HG THR 25 -0.806 -17.328 -0.772 194 1HG2 THR 25 1HG2 THR 25 -3.456 -18.794 -0.362 195 2HG2 THR 25 2HG2 THR 25 -3.462 -18.848 1.401 196 3HG2 THR 25 3HG2 THR 25 -2.067 -19.447 0.507 197 H ALA 26 H ALA 26 -0.775 -15.404 -1.195 198 HA ALA 26 HA ALA 26 -0.370 -13.164 0.447 199 1HB ALA 26 1HB ALA 26 1.450 -14.127 -0.825 200 2HB ALA 26 2HB ALA 26 1.241 -12.438 -1.286 201 3HB ALA 26 3HB ALA 26 0.648 -13.719 -2.341 202 H GLU 27 H GLU 27 -1.646 -13.388 -2.892 203 HA GLU 27 HA GLU 27 -2.239 -10.714 -3.263 204 1HB GLU 27 2HB GLU 27 -2.359 -12.438 -5.035 205 2HB GLU 27 1HB GLU 27 -3.832 -13.055 -4.298 206 1HG GLU 27 2HG GLU 27 -4.929 -10.919 -4.696 207 2HG GLU 27 1HG GLU 27 -3.459 -10.302 -5.443 208 H LYS 28 H LYS 28 -4.269 -13.284 -1.872 209 HA LYS 28 HA LYS 28 -6.553 -11.710 -1.433 210 1HB LYS 28 2HB LYS 28 -5.551 -14.134 0.074 211 2HB LYS 28 1HB LYS 28 -7.162 -13.453 0.240 212 1HG LYS 28 2HG LYS 28 -5.981 -14.635 -2.265 213 2HG LYS 28 1HG LYS 28 -7.180 -15.393 -1.217 214 1HD LYS 28 2HD LYS 28 -7.612 -12.780 -2.660 215 2HD LYS 28 1HD LYS 28 -8.108 -14.347 -3.294 216 1HE LYS 28 2HE LYS 28 -10.020 -13.391 -2.273 217 2HE LYS 28 1HE LYS 28 -9.450 -14.658 -1.189 218 1HZ LYS 28 1HZ LYS 28 -9.083 -13.186 0.422 219 2HZ LYS 28 2HZ LYS 28 -9.993 -12.093 -0.489 220 3HZ LYS 28 3HZ LYS 28 -8.307 -12.091 -0.610 221 H VAL 29 H VAL 29 -3.774 -12.459 0.638 222 HA VAL 29 HA VAL 29 -4.620 -11.086 2.920 223 HB VAL 29 HB VAL 29 -1.791 -11.471 1.910 224 1HG1 VAL 29 1HG1 VAL 29 -1.446 -9.915 3.539 225 2HG1 VAL 29 2HG1 VAL 29 -1.466 -11.371 4.532 226 3HG1 VAL 29 3HG1 VAL 29 -2.903 -10.357 4.427 227 1HG2 VAL 29 1HG2 VAL 29 -2.737 -13.114 4.138 228 2HG2 VAL 29 2HG2 VAL 29 -1.829 -13.569 2.697 229 3HG2 VAL 29 3HG2 VAL 29 -3.583 -13.414 2.620 230 H VAL 30 H VAL 30 -2.952 -9.992 0.023 231 HA VAL 30 HA VAL 30 -2.488 -7.334 0.919 232 HB VAL 30 HB VAL 30 -2.799 -8.355 -1.913 233 1HG1 VAL 30 1HG1 VAL 30 -1.887 -6.369 -2.683 234 2HG1 VAL 30 2HG1 VAL 30 -1.196 -5.960 -1.113 235 3HG1 VAL 30 3HG1 VAL 30 -2.933 -5.816 -1.376 236 1HG2 VAL 30 1HG2 VAL 30 -0.943 -9.226 -0.188 237 2HG2 VAL 30 2HG2 VAL 30 -0.131 -7.784 -0.794 238 3HG2 VAL 30 3HG2 VAL 30 -0.647 -9.042 -1.916 239 H LYS 31 H LYS 31 -5.024 -8.861 -1.107 240 HA LYS 31 HA LYS 31 -6.633 -6.714 -1.656 241 1HB LYS 31 2HB LYS 31 -7.538 -9.469 -0.796 242 2HB LYS 31 1HB LYS 31 -8.577 -8.269 -1.540 243 1HG LYS 31 2HG LYS 31 -6.218 -9.633 -2.809 244 2HG LYS 31 1HG LYS 31 -7.920 -9.916 -3.158 245 1HD LYS 31 2HD LYS 31 -7.840 -7.300 -3.635 246 2HD LYS 31 1HD LYS 31 -6.150 -7.689 -3.959 247 1HE LYS 31 2HE LYS 31 -8.517 -9.041 -5.238 248 2HE LYS 31 1HE LYS 31 -7.534 -7.785 -5.987 249 1HZ LYS 31 1HZ LYS 31 -6.725 -10.534 -5.255 250 2HZ LYS 31 2HZ LYS 31 -5.599 -9.325 -5.619 251 3HZ LYS 31 3HZ LYS 31 -6.716 -9.816 -6.787 252 H GLN 32 H GLN 32 -6.741 -8.753 1.234 253 HA GLN 32 HA GLN 32 -8.713 -7.293 2.613 254 1HB GLN 32 2HB GLN 32 -7.971 -9.588 3.231 255 2HB GLN 32 1HB GLN 32 -6.450 -8.916 3.798 256 1HG GLN 32 2HG GLN 32 -7.864 -9.315 5.678 257 2HG GLN 32 1HG GLN 32 -7.695 -7.578 5.452 258 1HE2 GLN 32 1HE2 GLN 32 -9.733 -8.846 3.092 259 2HE2 GLN 32 2HE2 GLN 32 -11.240 -8.491 3.849 260 H PHE 33 H PHE 33 -5.226 -6.981 2.445 261 HA PHE 33 HA PHE 33 -4.735 -5.170 4.481 262 1HB PHE 33 2HB PHE 33 -3.050 -6.315 2.970 263 2HB PHE 33 1HB PHE 33 -3.428 -5.106 1.752 264 HD1 PHE 33 1HD PHE 33 -2.422 -5.319 5.329 265 HD2 PHE 33 2HD PHE 33 -2.080 -3.244 1.618 266 HE1 PHE 33 1HE PHE 33 -0.766 -3.795 6.323 267 HE2 PHE 33 2HE PHE 33 -0.415 -1.733 2.618 268 HZ PHE 33 HZ PHE 33 0.241 -2.016 4.976 269 H PHE 34 H PHE 34 -5.150 -4.345 1.073 270 HA PHE 34 HA PHE 34 -5.598 -1.574 1.556 271 1HB PHE 34 2HB PHE 34 -6.178 -3.219 -0.909 272 2HB PHE 34 1HB PHE 34 -6.141 -1.455 -0.836 273 HD1 PHE 34 1HD PHE 34 -3.875 -0.777 0.695 274 HD2 PHE 34 2HD PHE 34 -4.330 -3.997 -2.039 275 HE1 PHE 34 1HE PHE 34 -1.442 -0.827 0.359 276 HE2 PHE 34 2HE PHE 34 -1.896 -4.045 -2.394 277 HZ PHE 34 HZ PHE 34 -0.458 -2.459 -1.184 278 H ASN 35 H ASN 35 -7.730 -4.315 0.991 279 HA ASN 35 HA ASN 35 -10.178 -3.045 0.691 280 1HB ASN 35 2HB ASN 35 -9.875 -5.475 0.514 281 2HB ASN 35 1HB ASN 35 -9.531 -5.571 2.236 282 1HD2 ASN 35 1HD2 ASN 35 -11.701 -6.481 0.231 283 2HD2 ASN 35 2HD2 ASN 35 -13.167 -6.191 1.100 284 H ASP 36 H ASP 36 -8.289 -3.734 3.545 285 HA ASP 36 HA ASP 36 -10.263 -2.522 5.317 286 1HB ASP 36 2HB ASP 36 -7.653 -3.914 5.942 287 2HB ASP 36 1HB ASP 36 -8.795 -3.318 7.143 288 H ASN 37 H ASN 37 -7.169 -1.730 3.880 289 HA ASN 37 HA ASN 37 -6.598 0.396 5.746 290 1HB ASN 37 2HB ASN 37 -5.415 -0.243 3.033 291 2HB ASN 37 1HB ASN 37 -4.854 1.063 4.071 292 1HD2 ASN 37 1HD2 ASN 37 -3.718 -1.581 3.031 293 2HD2 ASN 37 2HD2 ASN 37 -3.036 -2.296 4.448 294 H GLY 38 H GLY 38 -7.945 0.059 2.549 295 1HA GLY 38 2HA GLY 38 -8.325 2.086 1.158 296 2HA GLY 38 1HA GLY 38 -9.790 1.423 1.841 297 H VAL 39 H VAL 39 -11.102 2.843 2.654 298 HA VAL 39 HA VAL 39 -10.269 5.547 3.027 299 HB VAL 39 HB VAL 39 -12.955 4.244 3.319 300 1HG1 VAL 39 1HG1 VAL 39 -13.506 6.867 2.950 301 2HG1 VAL 39 2HG1 VAL 39 -12.054 6.978 3.945 302 3HG1 VAL 39 3HG1 VAL 39 -13.457 6.084 4.530 303 1HG2 VAL 39 1HG2 VAL 39 -13.157 4.488 1.122 304 2HG2 VAL 39 2HG2 VAL 39 -11.446 4.913 1.071 305 3HG2 VAL 39 3HG2 VAL 39 -12.664 6.178 1.209 306 H ASP 40 H ASP 40 -11.909 3.296 5.321 307 HA ASP 40 HA ASP 40 -11.394 5.196 7.435 308 1HB ASP 40 2HB ASP 40 -12.811 2.531 7.461 309 2HB ASP 40 1HB ASP 40 -12.717 3.638 8.827 310 H GLY 41 H GLY 41 -9.096 3.655 6.240 311 1HA GLY 41 2HA GLY 41 -8.245 1.711 8.110 312 2HA GLY 41 1HA GLY 41 -7.205 2.583 6.997 313 H GLU 42 H GLU 42 -6.900 1.816 9.881 314 HA GLU 42 HA GLU 42 -6.908 4.310 11.339 315 1HB GLU 42 2HB GLU 42 -5.677 1.633 12.032 316 2HB GLU 42 1HB GLU 42 -5.813 3.001 13.129 317 1HG GLU 42 2HG GLU 42 -8.251 2.872 12.980 318 2HG GLU 42 1HG GLU 42 -8.106 1.489 11.896 319 H TRP 43 H TRP 43 -5.552 5.748 10.298 320 HA TRP 43 HA TRP 43 -2.756 4.917 9.910 321 1HB TRP 43 2HB TRP 43 -4.121 7.377 8.826 322 2HB TRP 43 1HB TRP 43 -2.533 6.774 8.389 323 HD1 TRP 43 HD TRP 43 -5.071 4.008 8.472 324 HE1 TRP 43 1HE TRP 43 -5.784 3.426 6.067 325 HE3 TRP 43 3HE TRP 43 -2.958 7.956 6.039 326 HZ2 TRP 43 2HZ TRP 43 -5.484 4.512 3.480 327 HZ3 TRP 43 3HZ TRP 43 -3.204 8.111 3.605 328 HH2 TRP 43 HH TRP 43 -4.441 6.423 2.347 329 H THR 44 H THR 44 -1.141 5.815 11.042 330 HA THR 44 HA THR 44 -1.760 8.143 12.739 331 HB THR 44 HB THR 44 0.097 7.366 14.200 332 HG1 THR 44 1HG THR 44 1.087 6.094 12.458 333 1HG2 THR 44 1HG2 THR 44 -2.454 6.222 14.031 334 2HG2 THR 44 2HG2 THR 44 -1.371 6.265 15.423 335 3HG2 THR 44 3HG2 THR 44 -1.326 4.896 14.313 336 H TYR 45 H TYR 45 -0.333 9.903 12.656 337 HA TYR 45 HA TYR 45 1.623 9.753 10.457 338 1HB TYR 45 2HB TYR 45 -0.229 11.291 10.038 339 2HB TYR 45 1HB TYR 45 0.130 12.153 11.530 340 HD1 TYR 45 1HD TYR 45 2.381 10.928 8.814 341 HD2 TYR 45 2HD TYR 45 0.835 14.277 10.933 342 HE1 TYR 45 1HE TYR 45 3.913 12.406 7.584 343 HE2 TYR 45 2HE TYR 45 2.362 15.765 9.708 344 HH TYR 45 HH TYR 45 3.609 15.785 7.591 345 H ASP 46 H ASP 46 3.643 10.632 10.644 346 HA ASP 46 HA ASP 46 4.488 11.476 13.336 347 1HB ASP 46 2HB ASP 46 5.310 9.206 12.864 348 2HB ASP 46 1HB ASP 46 6.047 9.777 11.371 349 H ASP 47 H ASP 47 4.142 13.649 12.593 350 HA ASP 47 HA ASP 47 5.087 14.883 10.353 351 1HB ASP 47 2HB ASP 47 5.076 16.017 13.155 352 2HB ASP 47 1HB ASP 47 5.187 16.966 11.676 353 H ALA 48 H ALA 48 6.945 14.037 13.223 354 HA ALA 48 HA ALA 48 9.244 15.479 12.852 355 1HB ALA 48 1HB ALA 48 10.150 14.166 14.442 356 2HB ALA 48 2HB ALA 48 9.670 12.672 13.637 357 3HB ALA 48 3HB ALA 48 8.495 13.577 14.590 358 H THR 49 H THR 49 8.229 12.609 11.098 359 HA THR 49 HA THR 49 10.574 12.957 9.350 360 HB THR 49 HB THR 49 10.638 10.509 9.024 361 HG1 THR 49 1HG THR 49 9.255 9.221 9.987 362 1HG2 THR 49 1HG2 THR 49 12.194 11.239 10.620 363 2HG2 THR 49 2HG2 THR 49 11.365 9.865 11.352 364 3HG2 THR 49 3HG2 THR 49 10.942 11.508 11.833 365 H LYS 50 H LYS 50 7.488 13.561 9.319 366 HA LYS 50 HA LYS 50 5.805 13.580 7.767 367 1HB LYS 50 2HB LYS 50 8.284 13.491 6.081 368 2HB LYS 50 1HB LYS 50 6.703 13.452 5.322 369 1HG LYS 50 2HG LYS 50 7.486 15.702 5.326 370 2HG LYS 50 1HG LYS 50 6.162 15.575 6.482 371 1HD LYS 50 2HD LYS 50 7.649 15.579 8.320 372 2HD LYS 50 1HD LYS 50 9.056 15.409 7.267 373 1HE LYS 50 2HE LYS 50 8.605 17.615 6.312 374 2HE LYS 50 1HE LYS 50 7.192 17.780 7.353 375 1HZ LYS 50 1HZ LYS 50 9.477 18.807 8.031 376 2HZ LYS 50 2HZ LYS 50 9.798 17.244 8.591 377 3HZ LYS 50 3HZ LYS 50 8.475 18.103 9.199 378 H THR 51 H THR 51 6.651 11.000 8.896 379 HA THR 51 HA THR 51 5.966 9.199 6.687 380 HB THR 51 HB THR 51 7.208 8.578 9.370 381 HG1 THR 51 1HG THR 51 8.257 8.924 6.779 382 1HG2 THR 51 1HG2 THR 51 7.512 6.366 8.699 383 2HG2 THR 51 2HG2 THR 51 7.075 6.718 7.027 384 3HG2 THR 51 3HG2 THR 51 5.838 6.728 8.283 385 H PHE 52 H PHE 52 4.183 8.008 6.679 386 HA PHE 52 HA PHE 52 2.357 8.216 8.986 387 1HB PHE 52 2HB PHE 52 1.632 7.608 6.108 388 2HB PHE 52 1HB PHE 52 0.519 7.924 7.433 389 HD1 PHE 52 1HD PHE 52 -0.463 9.988 7.475 390 HD2 PHE 52 2HD PHE 52 3.415 9.596 5.763 391 HE1 PHE 52 1HE PHE 52 -0.494 12.373 6.864 392 HE2 PHE 52 2HE PHE 52 3.392 11.980 5.159 393 HZ PHE 52 HZ PHE 52 1.437 13.371 5.710 394 H THR 53 H THR 53 1.447 6.303 9.805 395 HA THR 53 HA THR 53 2.465 3.826 8.578 396 HB THR 53 HB THR 53 2.201 2.909 10.998 397 HG1 THR 53 1HG THR 53 2.551 4.491 12.569 398 1HG2 THR 53 1HG2 THR 53 4.404 4.354 9.755 399 2HG2 THR 53 2HG2 THR 53 4.380 2.791 10.575 400 3HG2 THR 53 3HG2 THR 53 4.489 4.282 11.515 401 H VAL 54 H VAL 54 1.000 2.528 7.811 402 HA VAL 54 HA VAL 54 -1.781 2.794 8.714 403 HB VAL 54 HB VAL 54 -0.697 1.470 6.210 404 1HG1 VAL 54 1HG1 VAL 54 -2.762 0.420 6.990 405 2HG1 VAL 54 2HG1 VAL 54 -3.036 1.337 5.509 406 3HG1 VAL 54 3HG1 VAL 54 -3.546 1.999 7.061 407 1HG2 VAL 54 1HG2 VAL 54 -0.424 3.735 5.824 408 2HG2 VAL 54 2HG2 VAL 54 -1.845 4.175 6.771 409 3HG2 VAL 54 3HG2 VAL 54 -2.039 3.435 5.183 410 H THR 55 H THR 55 -2.211 1.450 10.337 411 HA THR 55 HA THR 55 -1.065 -1.250 10.296 412 HB THR 55 HB THR 55 -2.406 0.189 12.586 413 HG1 THR 55 1HG THR 55 -0.352 1.076 11.864 414 1HG2 THR 55 1HG2 THR 55 -1.330 -1.494 13.992 415 2HG2 THR 55 2HG2 THR 55 -0.757 -2.326 12.545 416 3HG2 THR 55 3HG2 THR 55 -2.487 -2.212 12.872 417 H GLU 56 H GLU 56 -2.306 -2.876 9.616 418 HA GLU 56 HA GLU 56 -5.116 -2.491 9.197 419 1HB GLU 56 2HB GLU 56 -5.130 -4.718 8.291 420 2HB GLU 56 1HB GLU 56 -3.684 -3.897 7.722 421 1HG GLU 56 2HG GLU 56 -2.374 -5.055 9.446 422 2HG GLU 56 1HG GLU 56 -3.829 -5.909 9.953 423 1H MET 1 1HT MET 1 5.286 18.291 -1.761 424 2H MET 1 2HT MET 1 6.714 18.684 -2.579 425 3H MET 1 3HT MET 1 6.175 19.659 -1.307 426 HA MET 1 HA MET 1 8.076 18.009 -0.876 427 1HB MET 1 2HB MET 1 6.972 19.358 0.836 428 2HB MET 1 1HB MET 1 5.625 18.229 0.890 429 1HG MET 1 2HG MET 1 7.087 17.902 2.781 430 2HG MET 1 1HG MET 1 7.118 16.489 1.730 431 1HE MET 1 1HE MET 1 9.325 15.645 2.987 432 2HE MET 1 2HE MET 1 9.262 17.074 4.020 433 3HE MET 1 3HE MET 1 10.763 16.647 3.196 434 H GLN 2 H GLN 2 8.539 15.890 -0.234 435 HA GLN 2 HA GLN 2 6.616 13.891 -1.192 436 1HB GLN 2 2HB GLN 2 8.793 13.859 -2.317 437 2HB GLN 2 1HB GLN 2 9.605 13.675 -0.768 438 1HG GLN 2 2HG GLN 2 8.526 11.507 -0.459 439 2HG GLN 2 1HG GLN 2 7.709 11.692 -2.011 440 1HE2 GLN 2 1HE2 GLN 2 10.194 10.203 -0.551 441 2HE2 GLN 2 2HE2 GLN 2 11.268 10.004 -1.889 442 H TYR 3 H TYR 3 5.989 12.195 0.107 443 HA TYR 3 HA TYR 3 6.959 12.251 2.885 444 1HB TYR 3 2HB TYR 3 4.103 11.973 1.931 445 2HB TYR 3 1HB TYR 3 4.622 11.666 3.588 446 HD1 TYR 3 1HD TYR 3 4.762 13.421 5.122 447 HD2 TYR 3 2HD TYR 3 4.534 14.314 0.971 448 HE1 TYR 3 1HE TYR 3 4.519 15.807 5.661 449 HE2 TYR 3 2HE TYR 3 4.287 16.706 1.494 450 HH TYR 3 HH TYR 3 3.590 17.847 4.594 451 H LYS 4 H LYS 4 7.143 10.300 3.944 452 HA LYS 4 HA LYS 4 7.129 7.946 2.197 453 1HB LYS 4 2HB LYS 4 9.241 8.455 3.325 454 2HB LYS 4 1HB LYS 4 8.435 8.409 4.887 455 1HG LYS 4 2HG LYS 4 9.641 6.368 4.573 456 2HG LYS 4 1HG LYS 4 7.912 6.020 4.499 457 1HD LYS 4 2HD LYS 4 9.038 4.804 2.750 458 2HD LYS 4 1HD LYS 4 8.054 6.076 2.027 459 1HE LYS 4 2HE LYS 4 10.252 5.932 0.965 460 2HE LYS 4 1HE LYS 4 10.022 7.483 1.772 461 1HZ LYS 4 1HZ LYS 4 11.364 6.736 3.598 462 2HZ LYS 4 2HZ LYS 4 12.229 6.500 2.163 463 3HZ LYS 4 3HZ LYS 4 11.500 5.183 2.936 464 H VAL 5 H VAL 5 5.254 6.857 2.264 465 HA VAL 5 HA VAL 5 3.756 6.736 4.768 466 HB VAL 5 HB VAL 5 2.974 5.709 2.035 467 1HG1 VAL 5 1HG1 VAL 5 0.656 5.853 3.097 468 2HG1 VAL 5 2HG1 VAL 5 1.502 5.942 4.642 469 3HG1 VAL 5 3HG1 VAL 5 1.698 4.527 3.611 470 1HG2 VAL 5 1HG2 VAL 5 2.854 8.376 3.249 471 2HG2 VAL 5 2HG2 VAL 5 1.339 7.821 2.536 472 3HG2 VAL 5 3HG2 VAL 5 2.802 7.896 1.553 473 H ILE 6 H ILE 6 3.783 5.028 6.042 474 HA ILE 6 HA ILE 6 5.087 2.573 5.100 475 HB ILE 6 HB ILE 6 4.602 3.569 7.912 476 1HG1 ILE 6 2HG1 ILE 6 7.152 3.282 6.306 477 2HG1 ILE 6 1HG1 ILE 6 6.352 4.800 6.704 478 1HG2 ILE 6 1HG2 ILE 6 4.728 1.413 8.476 479 2HG2 ILE 6 2HG2 ILE 6 6.444 1.548 8.088 480 3HG2 ILE 6 3HG2 ILE 6 5.312 0.935 6.881 481 1HD1 ILE 6 1HD1 ILE 6 7.708 2.887 8.581 482 2HD1 ILE 6 2HD1 ILE 6 6.704 4.233 9.120 483 3HD1 ILE 6 3HD1 ILE 6 8.173 4.545 8.193 484 H LEU 7 H LEU 7 3.825 0.912 4.624 485 HA LEU 7 HA LEU 7 1.110 0.806 5.728 486 1HB LEU 7 2HB LEU 7 2.180 -1.017 3.591 487 2HB LEU 7 1HB LEU 7 0.520 -0.542 3.898 488 HG LEU 7 HG LEU 7 2.682 1.138 2.657 489 1HD1 LEU 7 1HD1 LEU 7 1.610 -0.498 1.190 490 2HD1 LEU 7 2HD1 LEU 7 1.196 1.153 0.739 491 3HD1 LEU 7 3HD1 LEU 7 0.029 0.161 1.612 492 1HD2 LEU 7 1HD2 LEU 7 1.284 2.437 4.247 493 2HD2 LEU 7 2HD2 LEU 7 -0.140 1.963 3.324 494 3HD2 LEU 7 3HD2 LEU 7 1.112 2.951 2.569 495 H ASN 8 H ASN 8 1.640 0.065 7.788 496 HA ASN 8 HA ASN 8 3.101 -2.438 8.044 497 1HB ASN 8 2HB ASN 8 3.603 -0.508 9.521 498 2HB ASN 8 1HB ASN 8 1.978 -0.627 10.187 499 1HD2 ASN 8 1HD2 ASN 8 5.028 -1.250 10.876 500 2HD2 ASN 8 2HD2 ASN 8 4.866 -2.651 11.874 501 H GLY 9 H GLY 9 1.883 -4.171 7.584 502 1HA GLY 9 2HA GLY 9 -0.673 -4.445 9.037 503 2HA GLY 9 1HA GLY 9 -0.394 -5.131 7.443 504 H LYS 10 H LYS 10 -1.180 -6.501 9.898 505 HA LYS 10 HA LYS 10 0.838 -7.815 11.201 506 1HB LYS 10 2HB LYS 10 -1.916 -8.721 10.414 507 2HB LYS 10 1HB LYS 10 -0.842 -9.763 11.334 508 1HG LYS 10 2HG LYS 10 -2.371 -8.604 12.805 509 2HG LYS 10 1HG LYS 10 -0.715 -8.074 13.099 510 1HD LYS 10 2HD LYS 10 -1.108 -6.057 11.804 511 2HD LYS 10 1HD LYS 10 -2.743 -6.599 11.420 512 1HE LYS 10 2HE LYS 10 -2.745 -4.954 13.228 513 2HE LYS 10 1HE LYS 10 -3.337 -6.520 13.780 514 1HZ LYS 10 1HZ LYS 10 -1.549 -5.147 15.123 515 2HZ LYS 10 2HZ LYS 10 -0.486 -5.973 14.100 516 3HZ LYS 10 3HZ LYS 10 -1.540 -6.840 15.098 517 H THR 11 H THR 11 -0.780 -8.911 8.221 518 HA THR 11 HA THR 11 1.311 -10.904 7.823 519 HB THR 11 HB THR 11 -0.268 -11.633 5.960 520 HG1 THR 11 1HG THR 11 -2.448 -10.864 6.315 521 1HG2 THR 11 1HG2 THR 11 -1.162 -13.111 7.357 522 2HG2 THR 11 2HG2 THR 11 -1.986 -11.855 8.281 523 3HG2 THR 11 3HG2 THR 11 -0.306 -12.255 8.640 524 H LEU 12 H LEU 12 0.666 -7.763 6.916 525 HA LEU 12 HA LEU 12 2.388 -8.054 4.563 526 1HB LEU 12 2HB LEU 12 0.093 -7.811 3.776 527 2HB LEU 12 1HB LEU 12 -0.099 -6.356 4.733 528 HG LEU 12 HG LEU 12 1.374 -5.132 3.339 529 1HD1 LEU 12 1HD1 LEU 12 2.172 -6.723 1.259 530 2HD1 LEU 12 2HD1 LEU 12 2.340 -7.786 2.653 531 3HD1 LEU 12 3HD1 LEU 12 3.173 -6.240 2.630 532 1HD2 LEU 12 1HD2 LEU 12 0.131 -6.539 1.115 533 2HD2 LEU 12 2HD2 LEU 12 -0.090 -4.881 1.674 534 3HD2 LEU 12 3HD2 LEU 12 -0.990 -6.195 2.433 535 H LYS 13 H LYS 13 3.983 -6.574 4.394 536 HA LYS 13 HA LYS 13 3.851 -4.133 5.987 537 1HB LYS 13 2HB LYS 13 6.100 -6.138 6.240 538 2HB LYS 13 1HB LYS 13 6.098 -4.526 6.944 539 1HG LYS 13 2HG LYS 13 4.171 -5.125 8.318 540 2HG LYS 13 1HG LYS 13 4.168 -6.740 7.610 541 1HD LYS 13 2HD LYS 13 6.406 -7.141 8.511 542 2HD LYS 13 1HD LYS 13 6.417 -5.522 9.211 543 1HE LYS 13 2HE LYS 13 5.855 -7.206 10.887 544 2HE LYS 13 1HE LYS 13 4.506 -6.105 10.611 545 1HZ LYS 13 1HZ LYS 13 3.233 -7.738 9.779 546 2HZ LYS 13 2HZ LYS 13 4.277 -8.760 10.632 547 3HZ LYS 13 3HZ LYS 13 4.514 -8.500 8.977 548 H GLY 14 H GLY 14 5.065 -2.439 5.159 549 1HA GLY 14 2HA GLY 14 7.131 -2.721 3.266 550 2HA GLY 14 1HA GLY 14 5.615 -2.488 2.414 551 H GLU 15 H GLU 15 6.902 -0.596 1.653 552 HA GLU 15 HA GLU 15 6.145 1.727 3.235 553 1HB GLU 15 2HB GLU 15 8.975 1.270 2.265 554 2HB GLU 15 1HB GLU 15 8.373 2.772 2.957 555 1HG GLU 15 2HG GLU 15 7.910 1.609 5.061 556 2HG GLU 15 1HG GLU 15 8.543 0.117 4.366 557 H THR 16 H THR 16 5.679 3.511 2.026 558 HA THR 16 HA THR 16 6.221 3.445 -0.840 559 HB THR 16 HB THR 16 4.086 2.552 -0.973 560 HG1 THR 16 1HG THR 16 3.508 5.294 -0.843 561 1HG2 THR 16 1HG2 THR 16 3.717 3.311 1.631 562 2HG2 THR 16 2HG2 THR 16 2.511 2.564 0.589 563 3HG2 THR 16 3HG2 THR 16 2.564 4.317 0.756 564 H THR 17 H THR 17 5.531 5.594 -1.893 565 HA THR 17 HA THR 17 5.706 7.833 -0.021 566 HB THR 17 HB THR 17 7.517 8.876 -1.360 567 HG1 THR 17 1HG THR 17 7.738 6.316 -2.550 568 1HG2 THR 17 1HG2 THR 17 8.281 7.849 0.608 569 2HG2 THR 17 2HG2 THR 17 9.360 7.309 -0.678 570 3HG2 THR 17 3HG2 THR 17 8.100 6.234 -0.074 571 H THR 18 H THR 18 4.245 9.289 -0.503 572 HA THR 18 HA THR 18 3.277 9.567 -3.287 573 HB THR 18 HB THR 18 1.566 9.005 -1.567 574 HG1 THR 18 1HG THR 18 1.086 10.365 -3.405 575 1HG2 THR 18 1HG2 THR 18 0.856 10.879 -0.043 576 2HG2 THR 18 2HG2 THR 18 2.443 11.592 -0.330 577 3HG2 THR 18 3HG2 THR 18 2.313 10.004 0.424 578 H GLU 19 H GLU 19 3.238 11.617 -4.235 579 HA GLU 19 HA GLU 19 4.888 13.646 -2.878 580 1HB GLU 19 2HB GLU 19 5.734 12.887 -5.053 581 2HB GLU 19 1HB GLU 19 4.209 13.323 -5.812 582 1HG GLU 19 2HG GLU 19 5.899 14.997 -6.255 583 2HG GLU 19 1HG GLU 19 4.601 15.668 -5.268 584 H ALA 20 H ALA 20 3.704 15.179 -1.871 585 HA ALA 20 HA ALA 20 1.479 16.374 -3.337 586 1HB ALA 20 1HB ALA 20 -0.121 16.026 -1.724 587 2HB ALA 20 2HB ALA 20 1.068 15.767 -0.447 588 3HB ALA 20 3HB ALA 20 0.779 14.511 -1.652 589 H VAL 21 H VAL 21 0.987 18.465 -2.765 590 HA VAL 21 HA VAL 21 3.029 20.187 -2.133 591 HB VAL 21 HB VAL 21 0.122 20.749 -1.549 592 1HG1 VAL 21 1HG1 VAL 21 2.414 22.563 -2.289 593 2HG1 VAL 21 2HG1 VAL 21 1.636 22.448 -0.710 594 3HG1 VAL 21 3HG1 VAL 21 0.733 23.063 -2.096 595 1HG2 VAL 21 1HG2 VAL 21 1.634 20.661 -4.136 596 2HG2 VAL 21 2HG2 VAL 21 0.220 21.696 -3.938 597 3HG2 VAL 21 3HG2 VAL 21 0.070 19.950 -3.736 598 H ASP 22 H ASP 22 1.005 18.422 0.068 599 HA ASP 22 HA ASP 22 2.659 19.260 2.282 600 1HB ASP 22 2HB ASP 22 0.853 20.084 3.696 601 2HB ASP 22 1HB ASP 22 0.973 21.051 2.230 602 H ALA 23 H ALA 23 1.645 18.254 4.410 603 HA ALA 23 HA ALA 23 1.746 15.474 4.078 604 1HB ALA 23 1HB ALA 23 2.363 16.692 6.151 605 2HB ALA 23 2HB ALA 23 1.298 15.313 6.432 606 3HB ALA 23 3HB ALA 23 0.646 16.951 6.461 607 H ALA 24 H ALA 24 -1.011 17.631 4.588 608 HA ALA 24 HA ALA 24 -2.963 15.603 4.804 609 1HB ALA 24 1HB ALA 24 -3.716 17.678 5.524 610 2HB ALA 24 2HB ALA 24 -4.504 17.524 3.955 611 3HB ALA 24 3HB ALA 24 -3.058 18.520 4.121 612 H THR 25 H THR 25 -2.011 17.611 1.994 613 HA THR 25 HA THR 25 -3.606 16.429 0.081 614 HB THR 25 HB THR 25 -1.810 17.086 -1.531 615 HG1 THR 25 1HG THR 25 -0.396 17.395 0.854 616 1HG2 THR 25 1HG2 THR 25 -3.003 18.924 0.404 617 2HG2 THR 25 2HG2 THR 25 -2.984 18.980 -1.358 618 3HG2 THR 25 3HG2 THR 25 -1.586 19.543 -0.443 619 H ALA 26 H ALA 26 -0.417 15.470 1.276 620 HA ALA 26 HA ALA 26 -0.045 13.222 -0.360 621 1HB ALA 26 1HB ALA 26 1.781 14.141 0.936 622 2HB ALA 26 2HB ALA 26 1.526 12.457 1.396 623 3HB ALA 26 3HB ALA 26 0.948 13.755 2.442 624 H GLU 27 H GLU 27 -1.362 13.477 2.961 625 HA GLU 27 HA GLU 27 -2.024 10.818 3.321 626 1HB GLU 27 2HB GLU 27 -2.127 12.544 5.094 627 2HB GLU 27 1HB GLU 27 -3.573 13.197 4.335 628 1HG GLU 27 2HG GLU 27 -4.729 11.089 4.717 629 2HG GLU 27 1HG GLU 27 -3.283 10.436 5.485 630 H LYS 28 H LYS 28 -3.971 13.437 1.904 631 HA LYS 28 HA LYS 28 -6.287 11.919 1.431 632 1HB LYS 28 2HB LYS 28 -5.205 14.318 -0.060 633 2HB LYS 28 1HB LYS 28 -6.828 13.675 -0.250 634 1HG LYS 28 2HG LYS 28 -5.656 14.829 2.272 635 2HG LYS 28 1HG LYS 28 -6.820 15.615 1.207 636 1HD LYS 28 2HD LYS 28 -7.337 13.014 2.644 637 2HD LYS 28 1HD LYS 28 -7.803 14.593 3.272 638 1HE LYS 28 2HE LYS 28 -9.723 13.684 2.223 639 2HE LYS 28 1HE LYS 28 -9.106 14.936 1.147 640 1HZ LYS 28 1HZ LYS 28 -8.752 13.456 -0.458 641 2HZ LYS 28 2HZ LYS 28 -9.702 12.384 0.440 642 3HZ LYS 28 3HZ LYS 28 -8.019 12.343 0.584 643 H VAL 29 H VAL 29 -3.460 12.599 -0.600 644 HA VAL 29 HA VAL 29 -4.307 11.247 -2.894 645 HB VAL 29 HB VAL 29 -1.486 11.563 -1.844 646 1HG1 VAL 29 1HG1 VAL 29 -1.154 9.999 -3.468 647 2HG1 VAL 29 2HG1 VAL 29 -1.125 11.456 -4.461 648 3HG1 VAL 29 3HG1 VAL 29 -2.588 10.476 -4.376 649 1HG2 VAL 29 1HG2 VAL 29 -2.359 13.228 -4.083 650 2HG2 VAL 29 2HG2 VAL 29 -1.459 13.661 -2.630 651 3HG2 VAL 29 3HG2 VAL 29 -3.218 13.549 -2.578 652 H VAL 30 H VAL 30 -2.707 10.113 0.027 653 HA VAL 30 HA VAL 30 -2.296 7.445 -0.863 654 HB VAL 30 HB VAL 30 -2.622 8.474 1.964 655 1HG1 VAL 30 1HG1 VAL 30 -1.769 6.466 2.748 656 2HG1 VAL 30 2HG1 VAL 30 -1.067 6.041 1.187 657 3HG1 VAL 30 3HG1 VAL 30 -2.811 5.938 1.425 658 1HG2 VAL 30 1HG2 VAL 30 -0.722 9.299 0.265 659 2HG2 VAL 30 2HG2 VAL 30 0.046 7.838 0.882 660 3HG2 VAL 30 3HG2 VAL 30 -0.454 9.108 1.997 661 H LYS 31 H LYS 31 -4.822 9.033 1.126 662 HA LYS 31 HA LYS 31 -6.490 6.926 1.653 663 1HB LYS 31 2HB LYS 31 -7.315 9.703 0.780 664 2HB LYS 31 1HB LYS 31 -8.394 8.528 1.510 665 1HG LYS 31 2HG LYS 31 -6.021 9.834 2.812 666 2HG LYS 31 1HG LYS 31 -7.721 10.158 3.137 667 1HD LYS 31 2HD LYS 31 -7.710 7.541 3.615 668 2HD LYS 31 1HD LYS 31 -6.016 7.890 3.963 669 1HE LYS 31 2HE LYS 31 -8.368 9.299 5.207 670 2HE LYS 31 1HE LYS 31 -7.427 8.019 5.972 671 1HZ LYS 31 1HZ LYS 31 -6.540 10.748 5.250 672 2HZ LYS 31 2HZ LYS 31 -5.449 9.511 5.630 673 3HZ LYS 31 3HZ LYS 31 -6.571 10.030 6.782 674 H GLN 32 H GLN 32 -6.508 8.966 -1.239 675 HA GLN 32 HA GLN 32 -8.495 7.555 -2.644 676 1HB GLN 32 2HB GLN 32 -7.689 9.832 -3.251 677 2HB GLN 32 1HB GLN 32 -6.176 9.121 -3.798 678 1HG GLN 32 2HG GLN 32 -7.555 9.554 -5.697 679 2HG GLN 32 1HG GLN 32 -7.431 7.814 -5.471 680 1HE2 GLN 32 1HE2 GLN 32 -9.470 9.130 -3.137 681 2HE2 GLN 32 2HE2 GLN 32 -10.976 8.812 -3.916 682 H PHE 33 H PHE 33 -5.019 7.157 -2.428 683 HA PHE 33 HA PHE 33 -4.543 5.336 -4.457 684 1HB PHE 33 2HB PHE 33 -2.854 6.439 -2.922 685 2HB PHE 33 1HB PHE 33 -3.277 5.239 -1.709 686 HD1 PHE 33 1HD PHE 33 -2.217 5.428 -5.272 687 HD2 PHE 33 2HD PHE 33 -1.978 3.345 -1.558 688 HE1 PHE 33 1HE PHE 33 -0.583 3.864 -6.243 689 HE2 PHE 33 2HE PHE 33 -0.336 1.795 -2.534 690 HZ PHE 33 HZ PHE 33 0.360 2.062 -4.883 691 H PHE 34 H PHE 34 -5.027 4.521 -1.056 692 HA PHE 34 HA PHE 34 -5.536 1.762 -1.546 693 1HB PHE 34 2HB PHE 34 -6.110 3.422 0.912 694 2HB PHE 34 1HB PHE 34 -6.114 1.656 0.839 695 HD1 PHE 34 1HD PHE 34 -3.844 0.923 -0.660 696 HD2 PHE 34 2HD PHE 34 -4.260 4.153 2.068 697 HE1 PHE 34 1HE PHE 34 -1.416 0.915 -0.289 698 HE2 PHE 34 2HE PHE 34 -1.831 4.144 2.458 699 HZ PHE 34 HZ PHE 34 -0.414 2.523 1.267 700 H ASN 35 H ASN 35 -7.608 4.554 -1.010 701 HA ASN 35 HA ASN 35 -10.091 3.344 -0.745 702 1HB ASN 35 2HB ASN 35 -9.732 5.766 -0.562 703 2HB ASN 35 1HB ASN 35 -9.360 5.855 -2.280 704 1HD2 ASN 35 1HD2 ASN 35 -11.536 6.817 -0.306 705 2HD2 ASN 35 2HD2 ASN 35 -12.997 6.560 -1.197 706 H ASP 36 H ASP 36 -8.144 3.986 -3.570 707 HA ASP 36 HA ASP 36 -10.123 2.822 -5.371 708 1HB ASP 36 2HB ASP 36 -7.471 4.150 -5.960 709 2HB ASP 36 1HB ASP 36 -8.610 3.582 -7.176 710 H ASN 37 H ASN 37 -7.070 1.956 -3.891 711 HA ASN 37 HA ASN 37 -6.524 -0.183 -5.750 712 1HB ASN 37 2HB ASN 37 -5.364 0.427 -3.021 713 2HB ASN 37 1HB ASN 37 -4.820 -0.892 -4.049 714 1HD2 ASN 37 1HD2 ASN 37 -3.636 1.723 -2.994 715 2HD2 ASN 37 2HD2 ASN 37 -2.916 2.422 -4.402 716 H GLY 38 H GLY 38 -7.907 0.187 -2.571 717 1HA GLY 38 2HA GLY 38 -8.355 -1.831 -1.187 718 2HA GLY 38 1HA GLY 38 -9.795 -1.132 -1.891 719 H VAL 39 H VAL 39 -11.130 -2.520 -2.722 720 HA VAL 39 HA VAL 39 -10.358 -5.244 -3.085 721 HB VAL 39 HB VAL 39 -13.007 -3.876 -3.414 722 1HG1 VAL 39 1HG1 VAL 39 -13.625 -6.485 -3.053 723 2HG1 VAL 39 2HG1 VAL 39 -12.163 -6.633 -4.027 724 3HG1 VAL 39 3HG1 VAL 39 -13.535 -5.705 -4.632 725 1HG2 VAL 39 1HG2 VAL 39 -13.245 -4.115 -1.219 726 2HG2 VAL 39 2HG2 VAL 39 -11.546 -4.580 -1.144 727 3HG2 VAL 39 3HG2 VAL 39 -12.792 -5.817 -1.299 728 H ASP 40 H ASP 40 -11.908 -2.954 -5.400 729 HA ASP 40 HA ASP 40 -11.411 -4.867 -7.507 730 1HB ASP 40 2HB ASP 40 -12.761 -2.169 -7.552 731 2HB ASP 40 1HB ASP 40 -12.676 -3.278 -8.917 732 H GLY 41 H GLY 41 -9.093 -3.382 -6.279 733 1HA GLY 41 2HA GLY 41 -8.169 -1.460 -8.137 734 2HA GLY 41 1HA GLY 41 -7.167 -2.357 -7.009 735 H GLU 42 H GLU 42 -6.801 -1.597 -9.889 736 HA GLU 42 HA GLU 42 -6.850 -4.089 -11.348 737 1HB GLU 42 2HB GLU 42 -5.545 -1.444 -12.022 738 2HB GLU 42 1HB GLU 42 -5.697 -2.807 -13.121 739 1HG GLU 42 2HG GLU 42 -8.134 -2.620 -13.007 740 2HG GLU 42 1HG GLU 42 -7.971 -1.241 -11.920 741 H TRP 43 H TRP 43 -5.544 -5.561 -10.287 742 HA TRP 43 HA TRP 43 -2.734 -4.797 -9.860 743 1HB TRP 43 2HB TRP 43 -4.174 -7.225 -8.796 744 2HB TRP 43 1HB TRP 43 -2.578 -6.659 -8.336 745 HD1 TRP 43 HD TRP 43 -5.046 -3.832 -8.454 746 HE1 TRP 43 1HE TRP 43 -5.778 -3.233 -6.060 747 HE3 TRP 43 3HE TRP 43 -3.066 -7.830 -5.992 748 HZ2 TRP 43 2HZ TRP 43 -5.542 -4.326 -3.470 749 HZ3 TRP 43 3HZ TRP 43 -3.349 -7.979 -3.563 750 HH2 TRP 43 HH TRP 43 -4.562 -6.261 -2.320 751 H THR 44 H THR 44 -1.126 -5.735 -10.968 752 HA THR 44 HA THR 44 -1.777 -8.047 -12.675 753 HB THR 44 HB THR 44 0.120 -7.315 -14.111 754 HG1 THR 44 1HG THR 44 1.115 -6.068 -12.354 755 1HG2 THR 44 1HG2 THR 44 -2.406 -6.110 -13.977 756 2HG2 THR 44 2HG2 THR 44 -1.305 -6.179 -15.352 757 3HG2 THR 44 3HG2 THR 44 -1.242 -4.811 -14.241 758 H TYR 45 H TYR 45 -0.394 -9.841 -12.572 759 HA TYR 45 HA TYR 45 1.533 -9.738 -10.347 760 1HB TYR 45 2HB TYR 45 -0.362 -11.232 -9.951 761 2HB TYR 45 1HB TYR 45 -0.003 -12.102 -11.439 762 HD1 TYR 45 1HD TYR 45 2.240 -10.931 -8.693 763 HD2 TYR 45 2HD TYR 45 0.642 -14.242 -10.834 764 HE1 TYR 45 1HE TYR 45 3.717 -12.446 -7.441 765 HE2 TYR 45 2HE TYR 45 2.115 -15.766 -9.588 766 HH TYR 45 HH TYR 45 3.331 -15.817 -7.453 767 H ASP 46 H ASP 46 3.533 -10.666 -10.504 768 HA ASP 46 HA ASP 46 4.396 -11.531 -13.184 769 1HB ASP 46 2HB ASP 46 5.265 -9.282 -12.700 770 2HB ASP 46 1HB ASP 46 5.968 -9.871 -11.197 771 H ASP 47 H ASP 47 3.986 -13.696 -12.446 772 HA ASP 47 HA ASP 47 4.871 -14.950 -10.193 773 1HB ASP 47 2HB ASP 47 4.872 -16.085 -12.996 774 2HB ASP 47 1HB ASP 47 4.937 -17.036 -11.515 775 H ALA 48 H ALA 48 6.788 -14.152 -13.037 776 HA ALA 48 HA ALA 48 9.045 -15.649 -12.633 777 1HB ALA 48 1HB ALA 48 10.005 -14.359 -14.210 778 2HB ALA 48 2HB ALA 48 9.551 -12.854 -13.412 779 3HB ALA 48 3HB ALA 48 8.368 -13.730 -14.382 780 H THR 49 H THR 49 8.076 -12.754 -10.894 781 HA THR 49 HA THR 49 10.387 -13.160 -9.113 782 HB THR 49 HB THR 49 10.506 -10.713 -8.786 783 HG1 THR 49 1HG THR 49 9.169 -9.392 -9.769 784 1HG2 THR 49 1HG2 THR 49 12.066 -11.482 -10.360 785 2HG2 THR 49 2HG2 THR 49 11.282 -10.088 -11.103 786 3HG2 THR 49 3HG2 THR 49 10.825 -11.721 -11.591 787 H LYS 50 H LYS 50 7.286 -13.688 -9.124 788 HA LYS 50 HA LYS 50 5.582 -13.666 -7.597 789 1HB LYS 50 2HB LYS 50 8.038 -13.637 -5.878 790 2HB LYS 50 1HB LYS 50 6.450 -13.559 -5.140 791 1HG LYS 50 2HG LYS 50 7.176 -15.828 -5.133 792 2HG LYS 50 1HG LYS 50 5.872 -15.668 -6.308 793 1HD LYS 50 2HD LYS 50 7.386 -15.709 -8.125 794 2HD LYS 50 1HD LYS 50 8.781 -15.572 -7.051 795 1HE LYS 50 2HE LYS 50 8.263 -17.767 -6.103 796 2HE LYS 50 1HE LYS 50 6.861 -17.899 -7.165 797 1HZ LYS 50 1HZ LYS 50 9.130 -18.980 -7.812 798 2HZ LYS 50 2HZ LYS 50 9.496 -17.425 -8.366 799 3HZ LYS 50 3HZ LYS 50 8.162 -18.252 -8.992 800 H THR 51 H THR 51 6.506 -11.107 -8.714 801 HA THR 51 HA THR 51 5.835 -9.289 -6.514 802 HB THR 51 HB THR 51 7.129 -8.700 -9.179 803 HG1 THR 51 1HG THR 51 8.131 -9.069 -6.574 804 1HG2 THR 51 1HG2 THR 51 7.479 -6.495 -8.505 805 2HG2 THR 51 2HG2 THR 51 7.009 -6.836 -6.839 806 3HG2 THR 51 3HG2 THR 51 5.789 -6.817 -8.112 807 H PHE 52 H PHE 52 4.081 -8.055 -6.531 808 HA PHE 52 HA PHE 52 2.284 -8.219 -8.864 809 1HB PHE 52 2HB PHE 52 1.534 -7.594 -5.996 810 2HB PHE 52 1HB PHE 52 0.432 -7.881 -7.336 811 HD1 PHE 52 1HD PHE 52 -0.600 -9.922 -7.393 812 HD2 PHE 52 2HD PHE 52 3.262 -9.624 -5.628 813 HE1 PHE 52 1HE PHE 52 -0.696 -12.306 -6.784 814 HE2 PHE 52 2HE PHE 52 3.173 -12.007 -5.024 815 HZ PHE 52 HZ PHE 52 1.192 -13.351 -5.602 816 H THR 53 H THR 53 1.432 -6.286 -9.696 817 HA THR 53 HA THR 53 2.492 -3.834 -8.454 818 HB THR 53 HB THR 53 2.286 -2.912 -10.878 819 HG1 THR 53 1HG THR 53 2.618 -4.501 -12.444 820 1HG2 THR 53 1HG2 THR 53 4.435 -4.410 -9.603 821 2HG2 THR 53 2HG2 THR 53 4.460 -2.846 -10.423 822 3HG2 THR 53 3HG2 THR 53 4.546 -4.339 -11.362 823 H VAL 54 H VAL 54 1.048 -2.502 -7.707 824 HA VAL 54 HA VAL 54 -1.725 -2.699 -8.649 825 HB VAL 54 HB VAL 54 -0.645 -1.401 -6.130 826 1HG1 VAL 54 1HG1 VAL 54 -2.673 -0.302 -6.939 827 2HG1 VAL 54 2HG1 VAL 54 -2.990 -1.211 -5.463 828 3HG1 VAL 54 3HG1 VAL 54 -3.492 -1.860 -7.023 829 1HG2 VAL 54 1HG2 VAL 54 -0.433 -3.672 -5.740 830 2HG2 VAL 54 2HG2 VAL 54 -1.850 -4.077 -6.708 831 3HG2 VAL 54 3HG2 VAL 54 -2.049 -3.333 -5.122 832 H THR 55 H THR 55 -2.100 -1.345 -10.279 833 HA THR 55 HA THR 55 -0.888 1.326 -10.221 834 HB THR 55 HB THR 55 -2.232 -0.080 -12.530 835 HG1 THR 55 1HG THR 55 -0.211 -1.014 -11.778 836 1HG2 THR 55 1HG2 THR 55 -1.096 1.577 -13.919 837 2HG2 THR 55 2HG2 THR 55 -0.523 2.395 -12.464 838 3HG2 THR 55 3HG2 THR 55 -2.251 2.323 -12.815 839 H GLU 56 H GLU 56 -2.098 2.981 -9.557 840 HA GLU 56 HA GLU 56 -4.924 2.665 -9.178 841 1HB GLU 56 2HB GLU 56 -4.895 4.893 -8.272 842 2HB GLU 56 1HB GLU 56 -3.478 4.036 -7.683 843 1HG GLU 56 2HG GLU 56 -2.117 5.162 -9.388 844 2HG GLU 56 1HG GLU 56 -3.543 6.051 -9.916 Start of MODEL 35 1 1H MET 1 1HT MET 1 6.742 -18.450 3.253 2 2H MET 1 2HT MET 1 6.009 -19.538 2.186 3 3H MET 1 3HT MET 1 5.186 -18.139 2.664 4 HA MET 1 HA MET 1 7.750 -18.046 1.200 5 1HB MET 1 2HB MET 1 6.228 -19.273 -0.200 6 2HB MET 1 1HB MET 1 4.922 -18.146 0.137 7 1HG MET 1 2HG MET 1 5.755 -17.732 -2.064 8 2HG MET 1 1HG MET 1 6.200 -16.380 -1.027 9 1HE MET 1 1HE MET 1 7.459 -19.926 -1.753 10 2HE MET 1 2HE MET 1 9.074 -19.686 -2.423 11 3HE MET 1 3HE MET 1 7.652 -19.267 -3.379 12 H GLN 2 H GLN 2 8.446 -16.032 0.834 13 HA GLN 2 HA GLN 2 6.853 -13.818 1.894 14 1HB GLN 2 2HB GLN 2 9.169 -14.119 2.748 15 2HB GLN 2 1HB GLN 2 9.778 -13.904 1.114 16 1HG GLN 2 2HG GLN 2 10.061 -11.861 2.299 17 2HG GLN 2 1HG GLN 2 8.800 -11.635 1.092 18 1HE2 GLN 2 1HE2 GLN 2 7.603 -13.475 3.636 19 2HE2 GLN 2 2HE2 GLN 2 6.844 -12.210 4.525 20 H TYR 3 H TYR 3 5.981 -12.324 0.564 21 HA TYR 3 HA TYR 3 6.786 -12.421 -2.270 22 1HB TYR 3 2HB TYR 3 4.070 -11.849 -1.078 23 2HB TYR 3 1HB TYR 3 4.466 -11.645 -2.781 24 HD1 TYR 3 1HD TYR 3 4.549 -13.506 -4.254 25 HD2 TYR 3 2HD TYR 3 4.117 -14.129 -0.068 26 HE1 TYR 3 1HE TYR 3 4.016 -15.871 -4.666 27 HE2 TYR 3 2HE TYR 3 3.588 -16.492 -0.471 28 HH TYR 3 HH TYR 3 3.821 -18.184 -2.101 29 H LYS 4 H LYS 4 6.979 -10.527 -3.414 30 HA LYS 4 HA LYS 4 7.202 -8.101 -1.766 31 1HB LYS 4 2HB LYS 4 9.284 -8.981 -2.851 32 2HB LYS 4 1HB LYS 4 8.535 -8.698 -4.413 33 1HG LYS 4 2HG LYS 4 10.054 -6.904 -3.876 34 2HG LYS 4 1HG LYS 4 8.393 -6.303 -3.898 35 1HD LYS 4 2HD LYS 4 8.292 -6.326 -1.500 36 2HD LYS 4 1HD LYS 4 9.863 -7.121 -1.396 37 1HE LYS 4 2HE LYS 4 10.941 -5.167 -2.353 38 2HE LYS 4 1HE LYS 4 9.379 -4.376 -2.543 39 1HZ LYS 4 1HZ LYS 4 10.359 -3.521 -0.588 40 2HZ LYS 4 2HZ LYS 4 10.764 -5.059 -0.014 41 3HZ LYS 4 3HZ LYS 4 9.144 -4.578 -0.073 42 H VAL 5 H VAL 5 5.247 -7.120 -1.957 43 HA VAL 5 HA VAL 5 3.991 -6.934 -4.582 44 HB VAL 5 HB VAL 5 2.983 -6.049 -1.874 45 1HG1 VAL 5 1HG1 VAL 5 1.511 -6.222 -4.500 46 2HG1 VAL 5 2HG1 VAL 5 2.032 -4.730 -3.717 47 3HG1 VAL 5 3HG1 VAL 5 0.824 -5.755 -2.945 48 1HG2 VAL 5 1HG2 VAL 5 1.337 -8.038 -2.624 49 2HG2 VAL 5 2HG2 VAL 5 2.777 -8.284 -1.637 50 3HG2 VAL 5 3HG2 VAL 5 2.838 -8.583 -3.374 51 H ILE 6 H ILE 6 3.926 -5.136 -5.775 52 HA ILE 6 HA ILE 6 5.132 -2.703 -4.637 53 HB ILE 6 HB ILE 6 5.014 -3.535 -7.540 54 1HG1 ILE 6 2HG1 ILE 6 7.346 -3.511 -5.610 55 2HG1 ILE 6 1HG1 ILE 6 6.518 -4.954 -6.188 56 1HG2 ILE 6 1HG2 ILE 6 6.785 -1.390 -6.466 57 2HG2 ILE 6 2HG2 ILE 6 5.094 -1.027 -6.803 58 3HG2 ILE 6 3HG2 ILE 6 6.145 -1.611 -8.094 59 1HD1 ILE 6 1HD1 ILE 6 7.191 -4.302 -8.504 60 2HD1 ILE 6 2HD1 ILE 6 8.523 -4.725 -7.428 61 3HD1 ILE 6 3HD1 ILE 6 8.181 -3.032 -7.787 62 H LEU 7 H LEU 7 3.982 -0.857 -4.629 63 HA LEU 7 HA LEU 7 1.326 -0.928 -5.898 64 1HB LEU 7 2HB LEU 7 2.114 0.867 -3.615 65 2HB LEU 7 1HB LEU 7 0.504 0.425 -4.146 66 HG LEU 7 HG LEU 7 2.468 -1.422 -2.805 67 1HD1 LEU 7 1HD1 LEU 7 1.200 -1.209 -0.856 68 2HD1 LEU 7 2HD1 LEU 7 -0.148 -0.451 -1.707 69 3HD1 LEU 7 3HD1 LEU 7 1.351 0.443 -1.454 70 1HD2 LEU 7 1HD2 LEU 7 0.848 -3.105 -2.925 71 2HD2 LEU 7 2HD2 LEU 7 0.834 -2.379 -4.532 72 3HD2 LEU 7 3HD2 LEU 7 -0.428 -1.973 -3.370 73 H ASN 8 H ASN 8 1.842 -0.061 -7.878 74 HA ASN 8 HA ASN 8 3.201 2.532 -7.966 75 1HB ASN 8 2HB ASN 8 2.396 0.677 -10.217 76 2HB ASN 8 1HB ASN 8 3.326 2.163 -10.397 77 1HD2 ASN 8 1HD2 ASN 8 5.423 1.899 -10.532 78 2HD2 ASN 8 2HD2 ASN 8 6.332 0.584 -9.878 79 H GLY 9 H GLY 9 1.885 4.251 -7.723 80 1HA GLY 9 2HA GLY 9 -0.723 4.172 -9.115 81 2HA GLY 9 1HA GLY 9 -0.444 5.048 -7.622 82 H LYS 10 H LYS 10 -1.422 6.793 -8.921 83 HA LYS 10 HA LYS 10 0.189 7.952 -11.009 84 1HB LYS 10 2HB LYS 10 -2.236 9.030 -9.564 85 2HB LYS 10 1HB LYS 10 -1.510 9.743 -10.999 86 1HG LYS 10 2HG LYS 10 -2.008 7.662 -12.236 87 2HG LYS 10 1HG LYS 10 -2.822 7.040 -10.800 88 1HD LYS 10 2HD LYS 10 -3.596 9.567 -12.256 89 2HD LYS 10 1HD LYS 10 -4.377 8.002 -12.479 90 1HE LYS 10 2HE LYS 10 -5.737 9.210 -10.972 91 2HE LYS 10 1HE LYS 10 -4.862 8.028 -10.002 92 1HZ LYS 10 1HZ LYS 10 -3.916 9.636 -8.822 93 2HZ LYS 10 2HZ LYS 10 -4.996 10.716 -9.544 94 3HZ LYS 10 3HZ LYS 10 -3.453 10.504 -10.200 95 H THR 11 H THR 11 -0.869 9.028 -7.774 96 HA THR 11 HA THR 11 1.375 10.898 -7.687 97 HB THR 11 HB THR 11 -0.008 11.707 -5.637 98 HG1 THR 11 1HG THR 11 -2.313 11.248 -6.139 99 1HG2 THR 11 1HG2 THR 11 -1.715 12.305 -7.896 100 2HG2 THR 11 2HG2 THR 11 -0.004 12.497 -8.278 101 3HG2 THR 11 3HG2 THR 11 -0.709 13.378 -6.923 102 H LEU 12 H LEU 12 0.804 7.817 -6.824 103 HA LEU 12 HA LEU 12 2.590 8.037 -4.525 104 1HB LEU 12 2HB LEU 12 0.346 7.879 -3.608 105 2HB LEU 12 1HB LEU 12 0.030 6.442 -4.562 106 HG LEU 12 HG LEU 12 1.603 5.167 -3.280 107 1HD1 LEU 12 1HD1 LEU 12 2.375 6.805 -1.175 108 2HD1 LEU 12 2HD1 LEU 12 2.616 7.780 -2.623 109 3HD1 LEU 12 3HD1 LEU 12 3.392 6.208 -2.486 110 1HD2 LEU 12 1HD2 LEU 12 0.182 4.846 -1.591 111 2HD2 LEU 12 2HD2 LEU 12 -0.751 6.172 -2.286 112 3HD2 LEU 12 3HD2 LEU 12 0.396 6.487 -0.985 113 H LYS 13 H LYS 13 4.063 6.475 -4.326 114 HA LYS 13 HA LYS 13 3.877 4.043 -5.928 115 1HB LYS 13 2HB LYS 13 6.350 5.779 -6.021 116 2HB LYS 13 1HB LYS 13 6.057 4.295 -6.914 117 1HG LYS 13 2HG LYS 13 5.698 5.871 -8.531 118 2HG LYS 13 1HG LYS 13 4.060 5.632 -7.919 119 1HD LYS 13 2HD LYS 13 4.266 7.607 -6.525 120 2HD LYS 13 1HD LYS 13 5.936 7.825 -7.042 121 1HE LYS 13 2HE LYS 13 4.387 9.321 -8.228 122 2HE LYS 13 1HE LYS 13 5.213 8.208 -9.319 123 1HZ LYS 13 1HZ LYS 13 2.833 8.422 -9.803 124 2HZ LYS 13 2HZ LYS 13 2.464 7.819 -8.268 125 3HZ LYS 13 3HZ LYS 13 3.254 6.836 -9.394 126 H GLY 14 H GLY 14 5.064 2.307 -5.039 127 1HA GLY 14 2HA GLY 14 7.014 2.617 -3.023 128 2HA GLY 14 1HA GLY 14 5.448 2.382 -2.268 129 H GLU 15 H GLU 15 6.815 0.545 -1.433 130 HA GLU 15 HA GLU 15 6.181 -1.822 -3.018 131 1HB GLU 15 2HB GLU 15 8.881 -1.332 -1.742 132 2HB GLU 15 1HB GLU 15 8.366 -2.837 -2.487 133 1HG GLU 15 2HG GLU 15 9.702 -1.790 -4.089 134 2HG GLU 15 1HG GLU 15 8.046 -1.507 -4.620 135 H THR 16 H THR 16 5.887 -3.715 -1.772 136 HA THR 16 HA THR 16 6.051 -3.542 1.109 137 HB THR 16 HB THR 16 3.926 -2.630 1.044 138 HG1 THR 16 1HG THR 16 3.321 -5.370 0.899 139 1HG2 THR 16 1HG2 THR 16 2.110 -3.664 -0.464 140 2HG2 THR 16 2HG2 THR 16 3.472 -4.258 -1.411 141 3HG2 THR 16 3HG2 THR 16 3.262 -2.525 -1.161 142 H THR 17 H THR 17 5.284 -5.683 2.131 143 HA THR 17 HA THR 17 5.589 -7.932 0.290 144 HB THR 17 HB THR 17 7.288 -8.970 1.773 145 HG1 THR 17 1HG THR 17 7.216 -6.429 3.012 146 1HG2 THR 17 1HG2 THR 17 9.175 -7.358 1.244 147 2HG2 THR 17 2HG2 THR 17 7.948 -6.362 0.464 148 3HG2 THR 17 3HG2 THR 17 8.251 -7.999 -0.114 149 H THR 18 H THR 18 4.089 -9.373 0.658 150 HA THR 18 HA THR 18 2.981 -9.718 3.389 151 HB THR 18 HB THR 18 1.356 -8.930 1.676 152 HG1 THR 18 1HG THR 18 0.683 -10.282 3.398 153 1HG2 THR 18 1HG2 THR 18 1.671 -9.726 -0.393 154 2HG2 THR 18 2HG2 THR 18 0.631 -11.031 0.178 155 3HG2 THR 18 3HG2 THR 18 2.383 -11.237 0.175 156 H GLU 19 H GLU 19 2.722 -11.858 4.165 157 HA GLU 19 HA GLU 19 4.273 -13.886 2.679 158 1HB GLU 19 2HB GLU 19 5.227 -13.279 4.858 159 2HB GLU 19 1HB GLU 19 3.709 -13.685 5.647 160 1HG GLU 19 2HG GLU 19 3.973 -16.012 4.964 161 2HG GLU 19 1HG GLU 19 5.490 -15.606 4.163 162 H ALA 20 H ALA 20 3.132 -15.505 1.801 163 HA ALA 20 HA ALA 20 0.844 -16.588 3.232 164 1HB ALA 20 1HB ALA 20 0.214 -14.679 1.532 165 2HB ALA 20 2HB ALA 20 -0.784 -16.124 1.702 166 3HB ALA 20 3HB ALA 20 0.356 -15.992 0.363 167 H VAL 21 H VAL 21 0.178 -18.635 2.531 168 HA VAL 21 HA VAL 21 2.141 -20.462 1.928 169 HB VAL 21 HB VAL 21 -0.767 -20.821 1.204 170 1HG1 VAL 21 1HG1 VAL 21 0.867 -22.543 0.410 171 2HG1 VAL 21 2HG1 VAL 21 -0.387 -23.156 1.487 172 3HG1 VAL 21 3HG1 VAL 21 1.242 -22.877 2.101 173 1HG2 VAL 21 1HG2 VAL 21 0.640 -20.906 3.847 174 2HG2 VAL 21 2HG2 VAL 21 -0.810 -21.869 3.560 175 3HG2 VAL 21 3HG2 VAL 21 -0.876 -20.113 3.413 176 H ASP 22 H ASP 22 0.327 -18.504 -0.282 177 HA ASP 22 HA ASP 22 2.030 -19.331 -2.458 178 1HB ASP 22 2HB ASP 22 0.098 -19.880 -3.983 179 2HB ASP 22 1HB ASP 22 0.432 -21.073 -2.733 180 H ALA 23 H ALA 23 1.272 -18.185 -4.578 181 HA ALA 23 HA ALA 23 1.399 -15.438 -4.123 182 1HB ALA 23 1HB ALA 23 0.289 -15.831 -6.690 183 2HB ALA 23 2HB ALA 23 1.380 -17.182 -6.380 184 3HB ALA 23 3HB ALA 23 1.973 -15.525 -6.265 185 H ALA 24 H ALA 24 -1.370 -17.499 -4.891 186 HA ALA 24 HA ALA 24 -3.271 -15.435 -5.148 187 1HB ALA 24 1HB ALA 24 -3.347 -18.120 -5.509 188 2HB ALA 24 2HB ALA 24 -4.781 -17.096 -5.417 189 3HB ALA 24 3HB ALA 24 -4.230 -17.970 -3.989 190 H THR 25 H THR 25 -2.582 -17.563 -2.360 191 HA THR 25 HA THR 25 -4.226 -16.339 -0.513 192 HB THR 25 HB THR 25 -2.531 -17.120 1.193 193 HG1 THR 25 1HG THR 25 -1.167 -17.808 -1.170 194 1HG2 THR 25 1HG2 THR 25 -3.517 -19.051 -0.873 195 2HG2 THR 25 2HG2 THR 25 -4.237 -18.661 0.689 196 3HG2 THR 25 3HG2 THR 25 -2.717 -19.550 0.618 197 H ALA 26 H ALA 26 -0.921 -15.521 -1.475 198 HA ALA 26 HA ALA 26 -0.548 -13.364 0.289 199 1HB ALA 26 1HB ALA 26 0.609 -13.371 -2.474 200 2HB ALA 26 2HB ALA 26 1.144 -14.556 -1.282 201 3HB ALA 26 3HB ALA 26 1.338 -12.832 -0.962 202 H GLU 27 H GLU 27 -1.666 -13.445 -3.106 203 HA GLU 27 HA GLU 27 -2.173 -10.778 -3.486 204 1HB GLU 27 2HB GLU 27 -2.312 -12.457 -5.259 205 2HB GLU 27 1HB GLU 27 -3.759 -13.131 -4.519 206 1HG GLU 27 2HG GLU 27 -4.941 -11.034 -4.921 207 2HG GLU 27 1HG GLU 27 -3.491 -10.360 -5.664 208 H LYS 28 H LYS 28 -4.416 -13.240 -2.202 209 HA LYS 28 HA LYS 28 -6.545 -11.440 -1.755 210 1HB LYS 28 2HB LYS 28 -5.882 -14.183 -0.739 211 2HB LYS 28 1HB LYS 28 -7.252 -13.299 -0.077 212 1HG LYS 28 2HG LYS 28 -7.709 -14.914 -1.990 213 2HG LYS 28 1HG LYS 28 -8.386 -13.289 -2.121 214 1HD LYS 28 2HD LYS 28 -6.535 -12.625 -3.572 215 2HD LYS 28 1HD LYS 28 -5.838 -14.241 -3.428 216 1HE LYS 28 2HE LYS 28 -8.526 -13.576 -4.623 217 2HE LYS 28 1HE LYS 28 -7.067 -13.977 -5.527 218 1HZ LYS 28 1HZ LYS 28 -8.492 -15.895 -5.338 219 2HZ LYS 28 2HZ LYS 28 -8.511 -15.771 -3.652 220 3HZ LYS 28 3HZ LYS 28 -7.074 -16.160 -4.454 221 H VAL 29 H VAL 29 -3.978 -12.670 0.377 222 HA VAL 29 HA VAL 29 -4.795 -11.389 2.722 223 HB VAL 29 HB VAL 29 -1.979 -11.986 1.780 224 1HG1 VAL 29 1HG1 VAL 29 -1.365 -10.702 3.508 225 2HG1 VAL 29 2HG1 VAL 29 -1.916 -12.042 4.513 226 3HG1 VAL 29 3HG1 VAL 29 -2.990 -10.681 4.191 227 1HG2 VAL 29 1HG2 VAL 29 -2.217 -14.092 2.541 228 2HG2 VAL 29 2HG2 VAL 29 -3.938 -13.781 2.312 229 3HG2 VAL 29 3HG2 VAL 29 -3.212 -13.595 3.909 230 H VAL 30 H VAL 30 -2.885 -10.267 -0.007 231 HA VAL 30 HA VAL 30 -2.259 -7.708 1.068 232 HB VAL 30 HB VAL 30 -2.472 -8.589 -1.819 233 1HG1 VAL 30 1HG1 VAL 30 -0.802 -6.300 -0.863 234 2HG1 VAL 30 2HG1 VAL 30 -2.514 -6.061 -1.209 235 3HG1 VAL 30 3HG1 VAL 30 -1.429 -6.628 -2.478 236 1HG2 VAL 30 1HG2 VAL 30 0.161 -8.178 -0.579 237 2HG2 VAL 30 2HG2 VAL 30 -0.382 -9.416 -1.712 238 3HG2 VAL 30 3HG2 VAL 30 -0.748 -9.570 0.007 239 H LYS 31 H LYS 31 -4.772 -8.901 -1.182 240 HA LYS 31 HA LYS 31 -6.170 -6.603 -1.700 241 1HB LYS 31 2HB LYS 31 -7.142 -9.406 -1.205 242 2HB LYS 31 1HB LYS 31 -8.251 -8.111 -1.631 243 1HG LYS 31 2HG LYS 31 -7.070 -7.761 -3.720 244 2HG LYS 31 1HG LYS 31 -5.918 -9.029 -3.291 245 1HD LYS 31 2HD LYS 31 -7.683 -10.681 -3.288 246 2HD LYS 31 1HD LYS 31 -8.891 -9.431 -3.590 247 1HE LYS 31 2HE LYS 31 -7.845 -8.937 -5.746 248 2HE LYS 31 1HE LYS 31 -6.634 -10.182 -5.446 249 1HZ LYS 31 1HZ LYS 31 -8.076 -11.829 -5.923 250 2HZ LYS 31 2HZ LYS 31 -8.862 -10.623 -6.811 251 3HZ LYS 31 3HZ LYS 31 -9.410 -11.026 -5.263 252 H GLN 32 H GLN 32 -6.518 -8.748 1.065 253 HA GLN 32 HA GLN 32 -8.557 -7.357 2.395 254 1HB GLN 32 2HB GLN 32 -7.546 -9.693 2.860 255 2HB GLN 32 1HB GLN 32 -6.368 -8.831 3.839 256 1HG GLN 32 2HG GLN 32 -7.991 -8.107 5.358 257 2HG GLN 32 1HG GLN 32 -9.316 -8.497 4.259 258 1HE2 GLN 32 1HE2 GLN 32 -10.081 -10.548 4.148 259 2HE2 GLN 32 2HE2 GLN 32 -9.588 -11.813 5.218 260 H PHE 33 H PHE 33 -5.090 -6.938 2.317 261 HA PHE 33 HA PHE 33 -4.676 -5.189 4.432 262 1HB PHE 33 2HB PHE 33 -2.944 -6.267 2.918 263 2HB PHE 33 1HB PHE 33 -3.321 -5.024 1.732 264 HD1 PHE 33 1HD PHE 33 -2.430 -5.276 5.339 265 HD2 PHE 33 2HD PHE 33 -1.923 -3.204 1.642 266 HE1 PHE 33 1HE PHE 33 -0.792 -3.773 6.393 267 HE2 PHE 33 2HE PHE 33 -0.281 -1.713 2.706 268 HZ PHE 33 HZ PHE 33 0.284 -2.006 5.087 269 H PHE 34 H PHE 34 -5.092 -4.304 1.031 270 HA PHE 34 HA PHE 34 -5.571 -1.548 1.557 271 1HB PHE 34 2HB PHE 34 -6.183 -3.144 -0.935 272 2HB PHE 34 1HB PHE 34 -6.097 -1.384 -0.824 273 HD1 PHE 34 1HD PHE 34 -3.794 -0.781 0.669 274 HD2 PHE 34 2HD PHE 34 -4.374 -3.962 -2.086 275 HE1 PHE 34 1HE PHE 34 -1.369 -0.889 0.291 276 HE2 PHE 34 2HE PHE 34 -1.951 -4.074 -2.480 277 HZ PHE 34 HZ PHE 34 -0.453 -2.537 -1.279 278 H ASN 35 H ASN 35 -7.671 -4.296 0.916 279 HA ASN 35 HA ASN 35 -10.141 -3.093 0.638 280 1HB ASN 35 2HB ASN 35 -9.751 -5.523 0.485 281 2HB ASN 35 1HB ASN 35 -9.448 -5.589 2.218 282 1HD2 ASN 35 1HD2 ASN 35 -11.541 -6.617 0.208 283 2HD2 ASN 35 2HD2 ASN 35 -13.037 -6.332 1.026 284 H ASP 36 H ASP 36 -8.258 -3.744 3.505 285 HA ASP 36 HA ASP 36 -10.259 -2.539 5.260 286 1HB ASP 36 2HB ASP 36 -7.669 -3.953 5.904 287 2HB ASP 36 1HB ASP 36 -8.797 -3.331 7.104 288 H ASN 37 H ASN 37 -7.180 -1.719 3.831 289 HA ASN 37 HA ASN 37 -6.593 0.371 5.728 290 1HB ASN 37 2HB ASN 37 -5.464 -0.206 2.980 291 2HB ASN 37 1HB ASN 37 -4.903 1.104 4.011 292 1HD2 ASN 37 1HD2 ASN 37 -3.737 -1.512 2.929 293 2HD2 ASN 37 2HD2 ASN 37 -3.010 -2.221 4.328 294 H GLY 38 H GLY 38 -7.974 0.098 2.537 295 1HA GLY 38 2HA GLY 38 -8.444 2.127 1.201 296 2HA GLY 38 1HA GLY 38 -9.881 1.453 1.936 297 H VAL 39 H VAL 39 -11.163 2.899 2.737 298 HA VAL 39 HA VAL 39 -10.250 5.573 3.195 299 HB VAL 39 HB VAL 39 -12.992 4.370 3.323 300 1HG1 VAL 39 1HG1 VAL 39 -13.506 6.970 3.031 301 2HG1 VAL 39 2HG1 VAL 39 -12.018 7.100 3.969 302 3HG1 VAL 39 3HG1 VAL 39 -13.395 6.207 4.618 303 1HG2 VAL 39 1HG2 VAL 39 -12.479 4.355 1.104 304 2HG2 VAL 39 2HG2 VAL 39 -11.363 5.715 1.242 305 3HG2 VAL 39 3HG2 VAL 39 -13.105 5.999 1.256 306 H ASP 40 H ASP 40 -12.055 3.319 5.369 307 HA ASP 40 HA ASP 40 -11.614 5.163 7.538 308 1HB ASP 40 2HB ASP 40 -13.011 2.490 7.433 309 2HB ASP 40 1HB ASP 40 -12.948 3.526 8.855 310 H GLY 41 H GLY 41 -9.234 3.698 6.424 311 1HA GLY 41 2HA GLY 41 -8.469 1.761 8.378 312 2HA GLY 41 1HA GLY 41 -7.398 2.546 7.224 313 H GLU 42 H GLU 42 -6.688 1.985 9.909 314 HA GLU 42 HA GLU 42 -6.864 4.506 11.355 315 1HB GLU 42 2HB GLU 42 -5.446 1.927 12.057 316 2HB GLU 42 1HB GLU 42 -5.598 3.320 13.118 317 1HG GLU 42 2HG GLU 42 -8.027 3.054 13.117 318 2HG GLU 42 1HG GLU 42 -7.868 1.651 12.060 319 H TRP 43 H TRP 43 -5.642 6.003 10.248 320 HA TRP 43 HA TRP 43 -2.892 5.301 9.541 321 1HB TRP 43 2HB TRP 43 -4.519 7.753 8.863 322 2HB TRP 43 1HB TRP 43 -2.909 7.392 8.258 323 HD1 TRP 43 HD TRP 43 -5.737 4.773 8.378 324 HE1 TRP 43 1HE TRP 43 -6.301 4.097 5.953 325 HE3 TRP 43 3HE TRP 43 -2.761 8.095 5.914 326 HZ2 TRP 43 2HZ TRP 43 -5.562 4.871 3.351 327 HZ3 TRP 43 3HZ TRP 43 -2.737 8.062 3.465 328 HH2 TRP 43 HH TRP 43 -4.108 6.483 2.204 329 H THR 44 H THR 44 -1.255 5.849 10.813 330 HA THR 44 HA THR 44 -1.592 8.091 12.689 331 HB THR 44 HB THR 44 0.345 7.089 13.899 332 HG1 THR 44 1HG THR 44 0.003 4.933 12.094 333 1HG2 THR 44 1HG2 THR 44 -0.793 5.353 14.969 334 2HG2 THR 44 2HG2 THR 44 -1.732 4.964 13.527 335 3HG2 THR 44 3HG2 THR 44 -2.055 6.453 14.415 336 H TYR 45 H TYR 45 -0.267 9.859 12.516 337 HA TYR 45 HA TYR 45 1.614 9.839 10.255 338 1HB TYR 45 2HB TYR 45 -0.223 11.441 10.069 339 2HB TYR 45 1HB TYR 45 0.226 12.158 11.612 340 HD1 TYR 45 1HD TYR 45 2.464 11.117 8.828 341 HD2 TYR 45 2HD TYR 45 0.794 14.352 11.030 342 HE1 TYR 45 1HE TYR 45 3.960 12.678 7.657 343 HE2 TYR 45 2HE TYR 45 2.285 15.923 9.864 344 HH TYR 45 HH TYR 45 4.096 15.035 7.107 345 H ASP 46 H ASP 46 3.694 10.541 10.440 346 HA ASP 46 HA ASP 46 4.639 11.212 13.149 347 1HB ASP 46 2HB ASP 46 5.313 8.922 12.548 348 2HB ASP 46 1HB ASP 46 6.070 9.527 11.079 349 H ASP 47 H ASP 47 4.393 13.425 12.503 350 HA ASP 47 HA ASP 47 5.397 14.726 10.328 351 1HB ASP 47 2HB ASP 47 5.477 15.703 13.189 352 2HB ASP 47 1HB ASP 47 5.628 16.724 11.761 353 H ALA 48 H ALA 48 7.204 13.583 13.112 354 HA ALA 48 HA ALA 48 9.594 14.895 12.841 355 1HB ALA 48 1HB ALA 48 8.708 12.923 14.436 356 2HB ALA 48 2HB ALA 48 10.398 13.417 14.338 357 3HB ALA 48 3HB ALA 48 9.835 12.019 13.424 358 H THR 49 H THR 49 8.406 12.218 10.889 359 HA THR 49 HA THR 49 10.784 12.541 9.179 360 HB THR 49 HB THR 49 10.693 10.122 8.681 361 HG1 THR 49 1HG THR 49 9.116 8.948 9.385 362 1HG2 THR 49 1HG2 THR 49 11.437 11.242 11.233 363 2HG2 THR 49 2HG2 THR 49 12.246 10.019 10.252 364 3HG2 THR 49 3HG2 THR 49 10.968 9.547 11.371 365 H LYS 50 H LYS 50 7.736 13.335 9.183 366 HA LYS 50 HA LYS 50 6.085 13.616 7.616 367 1HB LYS 50 2HB LYS 50 8.453 13.248 5.772 368 2HB LYS 50 1HB LYS 50 6.869 13.794 5.244 369 1HG LYS 50 2HG LYS 50 8.579 15.227 7.264 370 2HG LYS 50 1HG LYS 50 8.504 15.620 5.546 371 1HD LYS 50 2HD LYS 50 6.058 15.995 5.801 372 2HD LYS 50 1HD LYS 50 6.243 15.746 7.538 373 1HE LYS 50 2HE LYS 50 7.625 17.877 5.911 374 2HE LYS 50 1HE LYS 50 6.218 18.129 6.940 375 1HZ LYS 50 1HZ LYS 50 7.529 18.329 8.698 376 2HZ LYS 50 2HZ LYS 50 8.875 18.264 7.677 377 3HZ LYS 50 3HZ LYS 50 8.287 16.847 8.390 378 H THR 51 H THR 51 6.644 10.924 8.603 379 HA THR 51 HA THR 51 5.922 9.278 6.289 380 HB THR 51 HB THR 51 6.952 8.495 9.019 381 HG1 THR 51 1HG THR 51 8.144 8.706 6.477 382 1HG2 THR 51 1HG2 THR 51 5.745 6.877 6.935 383 2HG2 THR 51 2HG2 THR 51 6.133 6.477 8.607 384 3HG2 THR 51 3HG2 THR 51 7.376 6.359 7.361 385 H PHE 52 H PHE 52 4.164 7.832 6.365 386 HA PHE 52 HA PHE 52 2.239 8.350 8.533 387 1HB PHE 52 2HB PHE 52 1.577 7.955 5.618 388 2HB PHE 52 1HB PHE 52 0.417 8.155 6.923 389 HD1 PHE 52 1HD PHE 52 -0.368 10.264 7.449 390 HD2 PHE 52 2HD PHE 52 3.268 9.880 5.272 391 HE1 PHE 52 1HE PHE 52 -0.311 12.703 7.121 392 HE2 PHE 52 2HE PHE 52 3.332 12.316 4.943 393 HZ PHE 52 HZ PHE 52 1.542 13.732 5.868 394 H THR 53 H THR 53 2.622 6.549 9.635 395 HA THR 53 HA THR 53 2.724 3.941 8.445 396 HB THR 53 HB THR 53 2.435 3.206 10.929 397 HG1 THR 53 1HG THR 53 3.288 5.859 11.360 398 1HG2 THR 53 1HG2 THR 53 4.535 2.811 10.158 399 2HG2 THR 53 2HG2 THR 53 4.864 4.041 11.384 400 3HG2 THR 53 3HG2 THR 53 4.800 4.489 9.678 401 H VAL 54 H VAL 54 1.151 2.624 7.942 402 HA VAL 54 HA VAL 54 -1.560 3.208 8.943 403 HB VAL 54 HB VAL 54 -0.770 1.852 6.347 404 1HG1 VAL 54 1HG1 VAL 54 -2.796 0.883 6.717 405 2HG1 VAL 54 2HG1 VAL 54 -3.352 2.400 6.010 406 3HG1 VAL 54 3HG1 VAL 54 -3.359 2.191 7.760 407 1HG2 VAL 54 1HG2 VAL 54 -1.521 3.821 5.232 408 2HG2 VAL 54 2HG2 VAL 54 -0.375 4.322 6.476 409 3HG2 VAL 54 3HG2 VAL 54 -2.107 4.524 6.741 410 H THR 55 H THR 55 -2.094 1.829 10.510 411 HA THR 55 HA THR 55 -1.010 -0.887 10.435 412 HB THR 55 HB THR 55 -2.428 0.495 12.711 413 HG1 THR 55 1HG THR 55 0.316 0.272 12.060 414 1HG2 THR 55 1HG2 THR 55 -1.247 -1.196 14.087 415 2HG2 THR 55 2HG2 THR 55 -0.779 -2.016 12.596 416 3HG2 THR 55 3HG2 THR 55 -2.483 -1.870 13.027 417 H GLU 56 H GLU 56 -2.217 -2.435 9.605 418 HA GLU 56 HA GLU 56 -4.802 -2.310 8.749 419 1HB GLU 56 2HB GLU 56 -3.280 -4.139 8.196 420 2HB GLU 56 1HB GLU 56 -3.362 -4.729 9.850 421 1HG GLU 56 2HG GLU 56 -4.749 -6.084 8.431 422 2HG GLU 56 1HG GLU 56 -5.760 -5.173 9.553 423 1H MET 1 1HT MET 1 7.234 18.333 -3.065 424 2H MET 1 2HT MET 1 6.512 19.438 -2.008 425 3H MET 1 3HT MET 1 5.662 18.061 -2.498 426 HA MET 1 HA MET 1 8.202 17.905 -0.998 427 1HB MET 1 2HB MET 1 6.692 19.170 0.380 428 2HB MET 1 1HB MET 1 5.364 18.074 0.025 429 1HG MET 1 2HG MET 1 6.154 17.639 2.237 430 2HG MET 1 1HG MET 1 6.583 16.277 1.206 431 1HE MET 1 1HE MET 1 7.917 19.792 1.952 432 2HE MET 1 2HE MET 1 9.515 19.513 2.643 433 3HE MET 1 3HE MET 1 8.070 19.128 3.579 434 H GLN 2 H GLN 2 8.844 15.875 -0.622 435 HA GLN 2 HA GLN 2 7.213 13.698 -1.705 436 1HB GLN 2 2HB GLN 2 9.549 13.944 -2.527 437 2HB GLN 2 1HB GLN 2 10.128 13.715 -0.885 438 1HG GLN 2 2HG GLN 2 10.378 11.664 -2.064 439 2HG GLN 2 1HG GLN 2 9.095 11.469 -0.876 440 1HE2 GLN 2 1HE2 GLN 2 7.979 13.339 -3.436 441 2HE2 GLN 2 2HE2 GLN 2 7.203 12.091 -4.336 442 H TYR 3 H TYR 3 6.287 12.227 -0.387 443 HA TYR 3 HA TYR 3 7.054 12.304 2.457 444 1HB TYR 3 2HB TYR 3 4.342 11.799 1.226 445 2HB TYR 3 1HB TYR 3 4.708 11.586 2.936 446 HD1 TYR 3 1HD TYR 3 4.815 13.445 4.409 447 HD2 TYR 3 2HD TYR 3 4.459 14.077 0.219 448 HE1 TYR 3 1HE TYR 3 4.334 15.821 4.815 449 HE2 TYR 3 2HE TYR 3 3.980 16.453 0.614 450 HH TYR 3 HH TYR 3 4.231 18.139 2.248 451 H LYS 4 H LYS 4 7.184 10.408 3.604 452 HA LYS 4 HA LYS 4 7.371 7.977 1.958 453 1HB LYS 4 2HB LYS 4 9.460 8.807 3.072 454 2HB LYS 4 1HB LYS 4 8.680 8.542 4.625 455 1HG LYS 4 2HG LYS 4 10.163 6.712 4.108 456 2HG LYS 4 1HG LYS 4 8.490 6.152 4.107 457 1HD LYS 4 2HD LYS 4 8.421 6.176 1.707 458 2HD LYS 4 1HD LYS 4 10.013 6.933 1.626 459 1HE LYS 4 2HE LYS 4 11.029 4.952 2.598 460 2HE LYS 4 1HE LYS 4 9.446 4.199 2.764 461 1HZ LYS 4 1HZ LYS 4 10.433 3.320 0.826 462 2HZ LYS 4 2HZ LYS 4 10.883 4.849 0.257 463 3HZ LYS 4 3HZ LYS 4 9.250 4.407 0.291 464 H VAL 5 H VAL 5 5.389 7.044 2.121 465 HA VAL 5 HA VAL 5 4.093 6.888 4.729 466 HB VAL 5 HB VAL 5 3.103 6.027 2.007 467 1HG1 VAL 5 1HG1 VAL 5 1.598 6.236 4.612 468 2HG1 VAL 5 2HG1 VAL 5 2.094 4.733 3.836 469 3HG1 VAL 5 3HG1 VAL 5 0.923 5.787 3.046 470 1HG2 VAL 5 1HG2 VAL 5 1.495 8.056 2.733 471 2HG2 VAL 5 2HG2 VAL 5 2.955 8.267 1.766 472 3HG2 VAL 5 3HG2 VAL 5 2.997 8.565 3.504 473 H ILE 6 H ILE 6 3.967 5.092 5.921 474 HA ILE 6 HA ILE 6 5.131 2.630 4.798 475 HB ILE 6 HB ILE 6 4.992 3.466 7.701 476 1HG1 ILE 6 2HG1 ILE 6 7.349 3.385 5.804 477 2HG1 ILE 6 1HG1 ILE 6 6.548 4.847 6.368 478 1HG2 ILE 6 1HG2 ILE 6 6.726 1.279 6.650 479 2HG2 ILE 6 2HG2 ILE 6 5.020 0.957 6.963 480 3HG2 ILE 6 3HG2 ILE 6 6.067 1.515 8.269 481 1HD1 ILE 6 1HD1 ILE 6 7.173 4.181 8.695 482 2HD1 ILE 6 2HD1 ILE 6 8.529 4.570 7.638 483 3HD1 ILE 6 3HD1 ILE 6 8.143 2.886 7.991 484 H LEU 7 H LEU 7 3.935 0.814 4.775 485 HA LEU 7 HA LEU 7 1.264 0.949 6.005 486 1HB LEU 7 2HB LEU 7 2.042 -0.866 3.734 487 2HB LEU 7 1HB LEU 7 0.435 -0.384 4.242 488 HG LEU 7 HG LEU 7 2.461 1.415 2.930 489 1HD1 LEU 7 1HD1 LEU 7 1.217 1.232 0.963 490 2HD1 LEU 7 2HD1 LEU 7 -0.161 0.507 1.794 491 3HD1 LEU 7 3HD1 LEU 7 1.319 -0.423 1.563 492 1HD2 LEU 7 1HD2 LEU 7 0.882 3.137 3.028 493 2HD2 LEU 7 2HD2 LEU 7 0.827 2.412 4.633 494 3HD2 LEU 7 3HD2 LEU 7 -0.428 2.036 3.455 495 H ASN 8 H ASN 8 1.732 0.070 7.992 496 HA ASN 8 HA ASN 8 3.026 -2.555 8.099 497 1HB ASN 8 2HB ASN 8 2.235 -0.682 10.339 498 2HB ASN 8 1HB ASN 8 3.125 -2.189 10.532 499 1HD2 ASN 8 1HD2 ASN 8 5.226 -1.977 10.696 500 2HD2 ASN 8 2HD2 ASN 8 6.174 -0.683 10.055 501 H GLY 9 H GLY 9 1.673 -4.240 7.838 502 1HA GLY 9 2HA GLY 9 -0.953 -4.099 9.193 503 2HA GLY 9 1HA GLY 9 -0.673 -4.982 7.703 504 H LYS 10 H LYS 10 -1.713 -6.702 8.988 505 HA LYS 10 HA LYS 10 -0.158 -7.900 11.098 506 1HB LYS 10 2HB LYS 10 -2.589 -8.919 9.620 507 2HB LYS 10 1HB LYS 10 -1.901 -9.648 11.065 508 1HG LYS 10 2HG LYS 10 -2.367 -7.557 12.294 509 2HG LYS 10 1HG LYS 10 -3.144 -6.914 10.848 510 1HD LYS 10 2HD LYS 10 -4.000 -9.422 12.293 511 2HD LYS 10 1HD LYS 10 -4.745 -7.839 12.504 512 1HE LYS 10 2HE LYS 10 -6.114 -9.014 10.977 513 2HE LYS 10 1HE LYS 10 -5.197 -7.853 10.021 514 1HZ LYS 10 1HZ LYS 10 -4.274 -9.484 8.854 515 2HZ LYS 10 2HZ LYS 10 -5.389 -10.538 9.560 516 3HZ LYS 10 3HZ LYS 10 -3.850 -10.363 10.238 517 H THR 11 H THR 11 -1.196 -8.950 7.848 518 HA THR 11 HA THR 11 1.002 -10.873 7.793 519 HB THR 11 HB THR 11 -0.371 -11.651 5.724 520 HG1 THR 11 1HG THR 11 -2.672 -11.135 6.193 521 1HG2 THR 11 1HG2 THR 11 -2.124 -12.205 7.958 522 2HG2 THR 11 2HG2 THR 11 -0.424 -12.439 8.365 523 3HG2 THR 11 3HG2 THR 11 -1.132 -13.303 6.999 524 H LEU 12 H LEU 12 0.517 -7.780 6.922 525 HA LEU 12 HA LEU 12 2.329 -8.044 4.649 526 1HB LEU 12 2HB LEU 12 0.104 -7.832 3.700 527 2HB LEU 12 1HB LEU 12 -0.190 -6.386 4.651 528 HG LEU 12 HG LEU 12 1.431 -5.150 3.391 529 1HD1 LEU 12 1HD1 LEU 12 2.192 -6.808 1.297 530 2HD1 LEU 12 2HD1 LEU 12 2.389 -7.788 2.747 531 3HD1 LEU 12 3HD1 LEU 12 3.204 -6.235 2.622 532 1HD2 LEU 12 1HD2 LEU 12 0.041 -4.796 1.682 533 2HD2 LEU 12 2HD2 LEU 12 -0.934 -6.099 2.363 534 3HD2 LEU 12 3HD2 LEU 12 0.224 -6.443 1.079 535 H LYS 13 H LYS 13 3.844 -6.518 4.471 536 HA LYS 13 HA LYS 13 3.694 -4.082 6.070 537 1HB LYS 13 2HB LYS 13 6.122 -5.878 6.199 538 2HB LYS 13 1HB LYS 13 5.854 -4.387 7.089 539 1HG LYS 13 2HG LYS 13 5.433 -5.955 8.699 540 2HG LYS 13 1HG LYS 13 3.810 -5.675 8.064 541 1HD LYS 13 2HD LYS 13 3.986 -7.654 6.672 542 2HD LYS 13 1HD LYS 13 5.643 -7.913 7.214 543 1HE LYS 13 2HE LYS 13 4.042 -9.370 8.377 544 2HE LYS 13 1HE LYS 13 4.879 -8.278 9.480 545 1HZ LYS 13 1HZ LYS 13 2.489 -8.434 9.931 546 2HZ LYS 13 2HZ LYS 13 2.156 -7.823 8.391 547 3HZ LYS 13 3HZ LYS 13 2.954 -6.859 9.527 548 H GLY 14 H GLY 14 4.936 -2.377 5.199 549 1HA GLY 14 2HA GLY 14 6.905 -2.733 3.211 550 2HA GLY 14 1HA GLY 14 5.356 -2.460 2.434 551 H GLU 15 H GLU 15 6.779 -0.657 1.618 552 HA GLU 15 HA GLU 15 6.181 1.724 3.195 553 1HB GLU 15 2HB GLU 15 8.886 1.169 1.956 554 2HB GLU 15 1HB GLU 15 8.397 2.687 2.694 555 1HG GLU 15 2HG GLU 15 9.684 1.606 4.316 556 2HG GLU 15 1HG GLU 15 8.014 1.365 4.823 557 H THR 16 H THR 16 5.951 3.623 1.945 558 HA THR 16 HA THR 16 6.150 3.447 -0.933 559 HB THR 16 HB THR 16 4.003 2.586 -0.899 560 HG1 THR 16 1HG THR 16 3.462 5.339 -0.762 561 1HG2 THR 16 1HG2 THR 16 2.192 3.664 0.583 562 2HG2 THR 16 2HG2 THR 16 3.553 4.224 1.551 563 3HG2 THR 16 3HG2 THR 16 3.306 2.497 1.296 564 H THR 17 H THR 17 5.451 5.605 -1.966 565 HA THR 17 HA THR 17 5.784 7.847 -0.121 566 HB THR 17 HB THR 17 7.527 8.844 -1.578 567 HG1 THR 17 1HG THR 17 7.412 6.303 -2.819 568 1HG2 THR 17 1HG2 THR 17 9.368 7.186 -1.024 569 2HG2 THR 17 2HG2 THR 17 8.106 6.219 -0.262 570 3HG2 THR 17 3HG2 THR 17 8.441 7.850 0.321 571 H THR 18 H THR 18 4.324 9.322 -0.510 572 HA THR 18 HA THR 18 3.264 9.695 -3.255 573 HB THR 18 HB THR 18 1.596 8.947 -1.566 574 HG1 THR 18 1HG THR 18 0.980 10.315 -3.296 575 1HG2 THR 18 1HG2 THR 18 1.901 9.735 0.509 576 2HG2 THR 18 2HG2 THR 18 0.901 11.065 -0.077 577 3HG2 THR 18 3HG2 THR 18 2.658 11.227 -0.050 578 H GLU 19 H GLU 19 3.067 11.840 -4.034 579 HA GLU 19 HA GLU 19 4.646 13.830 -2.528 580 1HB GLU 19 2HB GLU 19 5.616 13.200 -4.692 581 2HB GLU 19 1HB GLU 19 4.121 13.644 -5.502 582 1HG GLU 19 2HG GLU 19 4.431 15.962 -4.816 583 2HG GLU 19 1HG GLU 19 5.925 15.520 -3.993 584 H ALA 20 H ALA 20 3.534 15.476 -1.664 585 HA ALA 20 HA ALA 20 1.291 16.615 -3.128 586 1HB ALA 20 1HB ALA 20 0.593 14.723 -1.437 587 2HB ALA 20 2HB ALA 20 -0.367 16.191 -1.622 588 3HB ALA 20 3HB ALA 20 0.750 16.031 -0.265 589 H VAL 21 H VAL 21 0.667 18.677 -2.436 590 HA VAL 21 HA VAL 21 2.664 20.456 -1.804 591 HB VAL 21 HB VAL 21 -0.243 20.886 -1.122 592 1HG1 VAL 21 1HG1 VAL 21 1.421 22.567 -0.305 593 2HG1 VAL 21 2HG1 VAL 21 0.197 23.211 -1.398 594 3HG1 VAL 21 3HG1 VAL 21 1.828 22.892 -1.989 595 1HG2 VAL 21 1HG2 VAL 21 1.201 20.936 -3.744 596 2HG2 VAL 21 2HG2 VAL 21 -0.227 21.935 -3.477 597 3HG2 VAL 21 3HG2 VAL 21 -0.339 20.179 -3.332 598 H ASP 22 H ASP 22 0.773 18.543 0.380 599 HA ASP 22 HA ASP 22 2.464 19.328 2.580 600 1HB ASP 22 2HB ASP 22 0.524 19.925 4.077 601 2HB ASP 22 1HB ASP 22 0.906 21.109 2.831 602 H ALA 23 H ALA 23 1.649 18.202 4.688 603 HA ALA 23 HA ALA 23 1.716 15.453 4.234 604 1HB ALA 23 1HB ALA 23 0.578 15.873 6.785 605 2HB ALA 23 2HB ALA 23 1.706 17.196 6.491 606 3HB ALA 23 3HB ALA 23 2.261 15.526 6.384 607 H ALA 24 H ALA 24 -1.014 17.581 4.964 608 HA ALA 24 HA ALA 24 -2.967 15.563 5.194 609 1HB ALA 24 1HB ALA 24 -2.983 18.249 5.553 610 2HB ALA 24 2HB ALA 24 -4.439 17.261 5.441 611 3HB ALA 24 3HB ALA 24 -3.848 18.121 4.021 612 H THR 25 H THR 25 -2.189 17.673 2.417 613 HA THR 25 HA THR 25 -3.833 16.490 0.545 614 HB THR 25 HB THR 25 -2.097 17.229 -1.136 615 HG1 THR 25 1HG THR 25 -0.749 17.884 1.245 616 1HG2 THR 25 1HG2 THR 25 -3.065 19.185 0.916 617 2HG2 THR 25 2HG2 THR 25 -3.773 18.812 -0.656 618 3HG2 THR 25 3HG2 THR 25 -2.232 19.663 -0.562 619 H ALA 26 H ALA 26 -0.564 15.592 1.553 620 HA ALA 26 HA ALA 26 -0.219 13.426 -0.204 621 1HB ALA 26 1HB ALA 26 0.899 13.405 2.575 622 2HB ALA 26 2HB ALA 26 1.480 14.576 1.391 623 3HB ALA 26 3HB ALA 26 1.637 12.849 1.072 624 H GLU 27 H GLU 27 -1.382 13.534 3.175 625 HA GLU 27 HA GLU 27 -1.960 10.881 3.547 626 1HB GLU 27 2HB GLU 27 -2.084 12.563 5.318 627 2HB GLU 27 1HB GLU 27 -3.503 13.272 4.558 628 1HG GLU 27 2HG GLU 27 -4.741 11.204 4.943 629 2HG GLU 27 1HG GLU 27 -3.319 10.495 5.704 630 H LYS 28 H LYS 28 -4.124 13.396 2.232 631 HA LYS 28 HA LYS 28 -6.289 11.647 1.754 632 1HB LYS 28 2HB LYS 28 -5.545 14.374 0.749 633 2HB LYS 28 1HB LYS 28 -6.926 13.525 0.067 634 1HG LYS 28 2HG LYS 28 -7.372 15.150 1.972 635 2HG LYS 28 1HG LYS 28 -8.090 13.542 2.094 636 1HD LYS 28 2HD LYS 28 -6.277 12.834 3.572 637 2HD LYS 28 1HD LYS 28 -5.537 14.432 3.437 638 1HE LYS 28 2HE LYS 28 -8.259 13.833 4.594 639 2HE LYS 28 1HE LYS 28 -6.802 14.198 5.518 640 1HZ LYS 28 1HZ LYS 28 -8.178 16.150 5.310 641 2HZ LYS 28 2HZ LYS 28 -8.176 16.026 3.623 642 3HZ LYS 28 3HZ LYS 28 -6.742 16.381 4.445 643 H VAL 29 H VAL 29 -3.664 12.815 -0.342 644 HA VAL 29 HA VAL 29 -4.477 11.554 -2.698 645 HB VAL 29 HB VAL 29 -1.662 12.083 -1.716 646 1HG1 VAL 29 1HG1 VAL 29 -1.055 10.784 -3.435 647 2HG1 VAL 29 2HG1 VAL 29 -1.559 12.136 -4.448 648 3HG1 VAL 29 3HG1 VAL 29 -2.670 10.802 -4.142 649 1HG2 VAL 29 1HG2 VAL 29 -1.838 14.193 -2.480 650 2HG2 VAL 29 2HG2 VAL 29 -3.569 13.924 -2.276 651 3HG2 VAL 29 3HG2 VAL 29 -2.825 13.720 -3.863 652 H VAL 30 H VAL 30 -2.635 10.386 0.058 653 HA VAL 30 HA VAL 30 -2.056 7.812 -1.010 654 HB VAL 30 HB VAL 30 -2.288 8.700 1.874 655 1HG1 VAL 30 1HG1 VAL 30 -0.661 6.371 0.942 656 2HG1 VAL 30 2HG1 VAL 30 -2.384 6.173 1.265 657 3HG1 VAL 30 3HG1 VAL 30 -1.302 6.714 2.549 658 1HG2 VAL 30 1HG2 VAL 30 0.353 8.223 0.672 659 2HG2 VAL 30 2HG2 VAL 30 -0.178 9.474 1.796 660 3HG2 VAL 30 3HG2 VAL 30 -0.515 9.638 0.074 661 H LYS 31 H LYS 31 -4.571 9.067 1.205 662 HA LYS 31 HA LYS 31 -6.031 6.805 1.703 663 1HB LYS 31 2HB LYS 31 -6.928 9.629 1.195 664 2HB LYS 31 1HB LYS 31 -8.073 8.362 1.605 665 1HG LYS 31 2HG LYS 31 -6.930 7.984 3.710 666 2HG LYS 31 1HG LYS 31 -5.742 9.223 3.299 667 1HD LYS 31 2HD LYS 31 -7.468 10.918 3.270 668 2HD LYS 31 1HD LYS 31 -8.709 9.697 3.555 669 1HE LYS 31 2HE LYS 31 -7.706 9.179 5.726 670 2HE LYS 31 1HE LYS 31 -6.459 10.394 5.442 671 1HZ LYS 31 1HZ LYS 31 -7.870 12.076 5.900 672 2HZ LYS 31 2HZ LYS 31 -8.695 10.888 6.777 673 3HZ LYS 31 3HZ LYS 31 -9.213 11.304 5.222 674 H GLN 32 H GLN 32 -6.288 8.956 -1.066 675 HA GLN 32 HA GLN 32 -8.341 7.615 -2.424 676 1HB GLN 32 2HB GLN 32 -7.268 9.926 -2.875 677 2HB GLN 32 1HB GLN 32 -6.097 9.035 -3.838 678 1HG GLN 32 2HG GLN 32 -7.715 8.350 -5.380 679 2HG GLN 32 1HG GLN 32 -9.045 8.773 -4.298 680 1HE2 GLN 32 1HE2 GLN 32 -9.762 10.841 -4.199 681 2HE2 GLN 32 2HE2 GLN 32 -9.224 12.094 -5.260 682 H PHE 33 H PHE 33 -4.887 7.111 -2.297 683 HA PHE 33 HA PHE 33 -4.486 5.353 -4.408 684 1HB PHE 33 2HB PHE 33 -2.749 6.387 -2.869 685 2HB PHE 33 1HB PHE 33 -3.173 5.154 -1.687 686 HD1 PHE 33 1HD PHE 33 -2.225 5.384 -5.282 687 HD2 PHE 33 2HD PHE 33 -1.821 3.302 -1.580 688 HE1 PHE 33 1HE PHE 33 -0.609 3.843 -6.313 689 HE2 PHE 33 2HE PHE 33 -0.200 1.772 -2.620 690 HZ PHE 33 HZ PHE 33 0.405 2.049 -4.993 691 H PHE 34 H PHE 34 -4.971 4.478 -1.013 692 HA PHE 34 HA PHE 34 -5.510 1.734 -1.545 693 1HB PHE 34 2HB PHE 34 -6.118 3.346 0.937 694 2HB PHE 34 1HB PHE 34 -6.073 1.584 0.826 695 HD1 PHE 34 1HD PHE 34 -3.764 0.926 -0.633 696 HD2 PHE 34 2HD PHE 34 -4.307 4.121 2.114 697 HE1 PHE 34 1HE PHE 34 -1.342 0.974 -0.220 698 HE2 PHE 34 2HE PHE 34 -1.886 4.173 2.543 699 HZ PHE 34 HZ PHE 34 -0.409 2.600 1.362 700 H ASN 35 H ASN 35 -7.551 4.534 -0.934 701 HA ASN 35 HA ASN 35 -10.054 3.391 -0.691 702 1HB ASN 35 2HB ASN 35 -9.607 5.811 -0.533 703 2HB ASN 35 1HB ASN 35 -9.278 5.868 -2.260 704 1HD2 ASN 35 1HD2 ASN 35 -11.372 6.947 -0.280 705 2HD2 ASN 35 2HD2 ASN 35 -12.863 6.700 -1.119 706 H ASP 36 H ASP 36 -8.113 3.995 -3.532 707 HA ASP 36 HA ASP 36 -10.119 2.840 -5.315 708 1HB ASP 36 2HB ASP 36 -7.487 4.190 -5.922 709 2HB ASP 36 1HB ASP 36 -8.611 3.595 -7.137 710 H ASN 37 H ASN 37 -7.082 1.945 -3.842 711 HA ASN 37 HA ASN 37 -6.519 -0.160 -5.731 712 1HB ASN 37 2HB ASN 37 -5.414 0.391 -2.967 713 2HB ASN 37 1HB ASN 37 -4.872 -0.932 -3.991 714 1HD2 ASN 37 1HD2 ASN 37 -3.658 1.654 -2.892 715 2HD2 ASN 37 2HD2 ASN 37 -2.893 2.345 -4.279 716 H GLY 38 H GLY 38 -7.937 0.149 -2.561 717 1HA GLY 38 2HA GLY 38 -8.477 -1.868 -1.231 718 2HA GLY 38 1HA GLY 38 -9.886 -1.161 -1.988 719 H VAL 39 H VAL 39 -11.190 -2.576 -2.806 720 HA VAL 39 HA VAL 39 -10.337 -5.271 -3.251 721 HB VAL 39 HB VAL 39 -13.047 -4.001 -3.418 722 1HG1 VAL 39 1HG1 VAL 39 -13.628 -6.588 -3.134 723 2HG1 VAL 39 2HG1 VAL 39 -12.130 -6.753 -4.050 724 3HG1 VAL 39 3HG1 VAL 39 -13.475 -5.829 -4.719 725 1HG2 VAL 39 1HG2 VAL 39 -12.565 -3.998 -1.192 726 2HG2 VAL 39 2HG2 VAL 39 -11.480 -5.385 -1.313 727 3HG2 VAL 39 3HG2 VAL 39 -13.228 -5.627 -1.351 728 H ASP 40 H ASP 40 -12.054 -2.972 -5.450 729 HA ASP 40 HA ASP 40 -11.628 -4.827 -7.613 730 1HB ASP 40 2HB ASP 40 -12.961 -2.123 -7.528 731 2HB ASP 40 1HB ASP 40 -12.902 -3.160 -8.947 732 H GLY 41 H GLY 41 -9.229 -3.422 -6.464 733 1HA GLY 41 2HA GLY 41 -8.389 -1.504 -8.408 734 2HA GLY 41 1HA GLY 41 -7.355 -2.313 -7.240 735 H GLU 42 H GLU 42 -6.592 -1.771 -9.913 736 HA GLU 42 HA GLU 42 -6.811 -4.288 -11.362 737 1HB GLU 42 2HB GLU 42 -5.320 -1.744 -12.044 738 2HB GLU 42 1HB GLU 42 -5.492 -3.133 -13.106 739 1HG GLU 42 2HG GLU 42 -7.912 -2.808 -13.139 740 2HG GLU 42 1HG GLU 42 -7.735 -1.409 -12.081 741 H TRP 43 H TRP 43 -5.640 -5.815 -10.239 742 HA TRP 43 HA TRP 43 -2.885 -5.178 -9.493 743 1HB TRP 43 2HB TRP 43 -4.580 -7.589 -8.838 744 2HB TRP 43 1HB TRP 43 -2.971 -7.267 -8.209 745 HD1 TRP 43 HD TRP 43 -5.733 -4.581 -8.370 746 HE1 TRP 43 1HE TRP 43 -6.313 -3.891 -5.953 747 HE3 TRP 43 3HE TRP 43 -2.872 -7.974 -5.865 748 HZ2 TRP 43 2HZ TRP 43 -5.630 -4.682 -3.341 749 HZ3 TRP 43 3HZ TRP 43 -2.883 -7.941 -3.416 750 HH2 TRP 43 HH TRP 43 -4.233 -6.329 -2.173 751 H THR 44 H THR 44 -1.245 -5.766 -10.742 752 HA THR 44 HA THR 44 -1.609 -8.000 -12.621 753 HB THR 44 HB THR 44 0.369 -7.045 -13.804 754 HG1 THR 44 1HG THR 44 0.053 -4.881 -12.004 755 1HG2 THR 44 1HG2 THR 44 -0.711 -5.282 -14.890 756 2HG2 THR 44 2HG2 THR 44 -1.661 -4.870 -13.462 757 3HG2 THR 44 3HG2 THR 44 -2.007 -6.352 -14.355 758 H TYR 45 H TYR 45 -0.330 -9.799 -12.430 759 HA TYR 45 HA TYR 45 1.518 -9.825 -10.144 760 1HB TYR 45 2HB TYR 45 -0.359 -11.381 -9.983 761 2HB TYR 45 1HB TYR 45 0.096 -12.110 -11.519 762 HD1 TYR 45 1HD TYR 45 2.318 -11.123 -8.705 763 HD2 TYR 45 2HD TYR 45 0.601 -14.316 -10.931 764 HE1 TYR 45 1HE TYR 45 3.760 -12.720 -7.514 765 HE2 TYR 45 2HE TYR 45 2.037 -15.922 -9.744 766 HH TYR 45 HH TYR 45 3.828 -15.080 -6.961 767 H ASP 46 H ASP 46 3.583 -10.576 -10.300 768 HA ASP 46 HA ASP 46 4.551 -11.269 -12.995 769 1HB ASP 46 2HB ASP 46 5.272 -8.998 -12.385 770 2HB ASP 46 1HB ASP 46 5.993 -9.621 -10.903 771 H ASP 47 H ASP 47 4.241 -13.478 -12.354 772 HA ASP 47 HA ASP 47 5.183 -14.801 -10.164 773 1HB ASP 47 2HB ASP 47 5.279 -15.782 -13.024 774 2HB ASP 47 1HB ASP 47 5.385 -16.805 -11.595 775 H ALA 48 H ALA 48 7.057 -13.704 -12.921 776 HA ALA 48 HA ALA 48 9.410 -15.072 -12.618 777 1HB ALA 48 1HB ALA 48 8.595 -13.080 -14.224 778 2HB ALA 48 2HB ALA 48 10.271 -13.616 -14.103 779 3HB ALA 48 3HB ALA 48 9.729 -12.204 -13.196 780 H THR 49 H THR 49 8.261 -12.368 -10.682 781 HA THR 49 HA THR 49 10.603 -12.749 -8.938 782 HB THR 49 HB THR 49 10.566 -10.329 -8.441 783 HG1 THR 49 1HG THR 49 9.027 -9.116 -9.167 784 1HG2 THR 49 1HG2 THR 49 11.318 -11.465 -10.981 785 2HG2 THR 49 2HG2 THR 49 12.143 -10.263 -9.989 786 3HG2 THR 49 3HG2 THR 49 10.892 -9.759 -11.127 787 H LYS 50 H LYS 50 7.539 -13.469 -8.986 788 HA LYS 50 HA LYS 50 5.860 -13.709 -7.443 789 1HB LYS 50 2HB LYS 50 8.210 -13.398 -5.564 790 2HB LYS 50 1HB LYS 50 6.605 -13.904 -5.059 791 1HG LYS 50 2HG LYS 50 8.308 -15.378 -7.056 792 2HG LYS 50 1HG LYS 50 8.200 -15.771 -5.338 793 1HD LYS 50 2HD LYS 50 5.749 -16.086 -5.628 794 2HD LYS 50 1HD LYS 50 5.964 -15.843 -7.363 795 1HE LYS 50 2HE LYS 50 7.271 -18.005 -5.716 796 2HE LYS 50 1HE LYS 50 5.873 -18.224 -6.766 797 1HZ LYS 50 1HZ LYS 50 7.204 -18.455 -8.505 798 2HZ LYS 50 2HZ LYS 50 8.537 -18.422 -7.464 799 3HZ LYS 50 3HZ LYS 50 7.992 -16.992 -8.186 800 H THR 51 H THR 51 6.498 -11.031 -8.422 801 HA THR 51 HA THR 51 5.784 -9.368 -6.117 802 HB THR 51 HB THR 51 6.870 -8.611 -8.832 803 HG1 THR 51 1HG THR 51 8.022 -8.849 -6.273 804 1HG2 THR 51 1HG2 THR 51 5.674 -6.963 -6.765 805 2HG2 THR 51 2HG2 THR 51 6.095 -6.573 -8.431 806 3HG2 THR 51 3HG2 THR 51 7.323 -6.484 -7.167 807 H PHE 52 H PHE 52 4.061 -7.879 -6.217 808 HA PHE 52 HA PHE 52 2.155 -8.350 -8.414 809 1HB PHE 52 2HB PHE 52 1.463 -7.938 -5.507 810 2HB PHE 52 1HB PHE 52 0.315 -8.112 -6.828 811 HD1 PHE 52 1HD PHE 52 -0.512 -10.201 -7.365 812 HD2 PHE 52 2HD PHE 52 3.101 -9.905 -5.137 813 HE1 PHE 52 1HE PHE 52 -0.519 -12.640 -7.037 814 HE2 PHE 52 2HE PHE 52 3.101 -12.342 -4.808 815 HZ PHE 52 HZ PHE 52 1.290 -13.714 -5.758 816 H THR 53 H THR 53 2.598 -6.560 -9.508 817 HA THR 53 HA THR 53 2.746 -3.954 -8.317 818 HB THR 53 HB THR 53 2.510 -3.214 -10.804 819 HG1 THR 53 1HG THR 53 3.304 -5.887 -11.224 820 1HG2 THR 53 1HG2 THR 53 4.609 -2.870 -10.005 821 2HG2 THR 53 2HG2 THR 53 4.925 -4.106 -11.224 822 3HG2 THR 53 3HG2 THR 53 4.827 -4.554 -9.521 823 H VAL 54 H VAL 54 1.199 -2.601 -7.836 824 HA VAL 54 HA VAL 54 -1.510 -3.118 -8.876 825 HB VAL 54 HB VAL 54 -0.725 -1.782 -6.268 826 1HG1 VAL 54 1HG1 VAL 54 -2.723 -0.764 -6.667 827 2HG1 VAL 54 2HG1 VAL 54 -3.323 -2.266 -5.967 828 3HG1 VAL 54 3HG1 VAL 54 -3.301 -2.057 -7.718 829 1HG2 VAL 54 1HG2 VAL 54 -1.540 -3.732 -5.165 830 2HG2 VAL 54 2HG2 VAL 54 -0.388 -4.259 -6.392 831 3HG2 VAL 54 3HG2 VAL 54 -2.121 -4.420 -6.682 832 H THR 55 H THR 55 -1.989 -1.727 -10.449 833 HA THR 55 HA THR 55 -0.841 0.962 -10.359 834 HB THR 55 HB THR 55 -2.260 -0.386 -12.655 835 HG1 THR 55 1HG THR 55 0.479 -0.229 -11.965 836 1HG2 THR 55 1HG2 THR 55 -1.018 1.277 -14.013 837 2HG2 THR 55 2HG2 THR 55 -0.552 2.084 -12.516 838 3HG2 THR 55 3HG2 THR 55 -2.253 1.981 -12.971 839 H GLU 56 H GLU 56 -2.021 2.539 -9.546 840 HA GLU 56 HA GLU 56 -4.620 2.476 -8.725 841 1HB GLU 56 2HB GLU 56 -3.063 4.269 -8.151 842 2HB GLU 56 1HB GLU 56 -3.106 4.860 -9.807 843 1HG GLU 56 2HG GLU 56 -4.480 6.248 -8.407 844 2HG GLU 56 1HG GLU 56 -5.496 5.364 -9.543 Start of MODEL 36 1 1H MET 1 1HT MET 1 5.863 -18.625 2.506 2 2H MET 1 2HT MET 1 6.406 -19.748 1.364 3 3H MET 1 3HT MET 1 5.245 -18.598 0.931 4 HA MET 1 HA MET 1 8.049 -18.024 1.702 5 1HB MET 1 2HB MET 1 6.632 -17.937 -0.969 6 2HB MET 1 1HB MET 1 8.270 -17.370 -0.685 7 1HG MET 1 2HG MET 1 8.942 -19.634 -0.062 8 2HG MET 1 1HG MET 1 7.300 -20.199 -0.363 9 1HE MET 1 1HE MET 1 6.908 -19.739 -4.194 10 2HE MET 1 2HE MET 1 6.627 -18.389 -3.095 11 3HE MET 1 3HE MET 1 6.109 -20.014 -2.645 12 H GLN 2 H GLN 2 8.556 -15.769 0.676 13 HA GLN 2 HA GLN 2 6.483 -13.908 1.609 14 1HB GLN 2 2HB GLN 2 8.599 -13.780 2.852 15 2HB GLN 2 1HB GLN 2 9.473 -13.506 1.351 16 1HG GLN 2 2HG GLN 2 8.267 -11.406 1.032 17 2HG GLN 2 1HG GLN 2 7.395 -11.679 2.539 18 1HE2 GLN 2 1HE2 GLN 2 10.420 -12.864 3.056 19 2HE2 GLN 2 2HE2 GLN 2 11.165 -11.463 3.731 20 H TYR 3 H TYR 3 5.969 -12.101 0.334 21 HA TYR 3 HA TYR 3 7.025 -12.151 -2.412 22 1HB TYR 3 2HB TYR 3 4.133 -11.788 -1.604 23 2HB TYR 3 1HB TYR 3 4.756 -11.637 -3.244 24 HD1 TYR 3 1HD TYR 3 4.488 -13.464 -4.624 25 HD2 TYR 3 2HD TYR 3 4.843 -14.106 -0.434 26 HE1 TYR 3 1HE TYR 3 4.168 -15.878 -4.973 27 HE2 TYR 3 2HE TYR 3 4.525 -16.522 -0.771 28 HH TYR 3 HH TYR 3 4.729 -18.184 -2.495 29 H LYS 4 H LYS 4 7.135 -10.164 -3.485 30 HA LYS 4 HA LYS 4 6.956 -7.838 -1.685 31 1HB LYS 4 2HB LYS 4 9.217 -8.285 -2.511 32 2HB LYS 4 1HB LYS 4 8.637 -8.228 -4.171 33 1HG LYS 4 2HG LYS 4 8.064 -5.880 -3.909 34 2HG LYS 4 1HG LYS 4 8.592 -5.928 -2.226 35 1HD LYS 4 2HD LYS 4 10.344 -6.458 -4.627 36 2HD LYS 4 1HD LYS 4 10.292 -4.948 -3.714 37 1HE LYS 4 2HE LYS 4 11.097 -7.652 -2.643 38 2HE LYS 4 1HE LYS 4 12.185 -6.319 -3.024 39 1HZ LYS 4 1HZ LYS 4 11.929 -5.894 -0.843 40 2HZ LYS 4 2HZ LYS 4 10.439 -6.687 -0.733 41 3HZ LYS 4 3HZ LYS 4 10.514 -5.115 -1.348 42 H VAL 5 H VAL 5 5.084 -6.818 -1.997 43 HA VAL 5 HA VAL 5 3.925 -6.732 -4.668 44 HB VAL 5 HB VAL 5 2.772 -5.769 -2.049 45 1HG1 VAL 5 1HG1 VAL 5 0.862 -6.406 -4.111 46 2HG1 VAL 5 2HG1 VAL 5 1.988 -5.166 -4.660 47 3HG1 VAL 5 3HG1 VAL 5 1.058 -4.920 -3.184 48 1HG2 VAL 5 1HG2 VAL 5 2.586 -7.960 -1.633 49 2HG2 VAL 5 2HG2 VAL 5 2.912 -8.406 -3.308 50 3HG2 VAL 5 3HG2 VAL 5 1.286 -7.921 -2.826 51 H ILE 6 H ILE 6 4.118 -5.089 -5.953 52 HA ILE 6 HA ILE 6 5.219 -2.565 -4.974 53 HB ILE 6 HB ILE 6 4.887 -3.689 -7.756 54 1HG1 ILE 6 2HG1 ILE 6 7.346 -2.897 -6.182 55 2HG1 ILE 6 1HG1 ILE 6 6.769 -4.545 -6.395 56 1HG2 ILE 6 1HG2 ILE 6 4.658 -1.553 -8.409 57 2HG2 ILE 6 2HG2 ILE 6 6.399 -1.475 -8.128 58 3HG2 ILE 6 3HG2 ILE 6 5.278 -0.911 -6.888 59 1HD1 ILE 6 1HD1 ILE 6 7.789 -2.694 -8.533 60 2HD1 ILE 6 2HD1 ILE 6 7.081 -4.279 -8.840 61 3HD1 ILE 6 3HD1 ILE 6 8.574 -4.146 -7.912 62 H LEU 7 H LEU 7 3.920 -0.926 -4.558 63 HA LEU 7 HA LEU 7 1.200 -0.933 -5.657 64 1HB LEU 7 2HB LEU 7 2.216 0.957 -3.550 65 2HB LEU 7 1HB LEU 7 0.571 0.422 -3.843 66 HG LEU 7 HG LEU 7 2.796 -1.196 -2.616 67 1HD1 LEU 7 1HD1 LEU 7 1.831 0.391 -1.084 68 2HD1 LEU 7 2HD1 LEU 7 1.276 -1.233 -0.672 69 3HD1 LEU 7 3HD1 LEU 7 0.202 -0.123 -1.524 70 1HD2 LEU 7 1HD2 LEU 7 -0.011 -2.009 -3.361 71 2HD2 LEU 7 2HD2 LEU 7 1.081 -2.954 -2.346 72 3HD2 LEU 7 3HD2 LEU 7 1.491 -2.644 -4.033 73 H ASN 8 H ASN 8 1.686 -0.182 -7.756 74 HA ASN 8 HA ASN 8 3.026 2.393 -8.017 75 1HB ASN 8 2HB ASN 8 3.641 0.401 -9.421 76 2HB ASN 8 1HB ASN 8 2.058 0.526 -10.179 77 1HD2 ASN 8 1HD2 ASN 8 5.087 1.044 -10.809 78 2HD2 ASN 8 2HD2 ASN 8 5.015 2.482 -11.768 79 H GLY 9 H GLY 9 1.690 4.106 -7.729 80 1HA GLY 9 2HA GLY 9 -0.912 4.020 -9.132 81 2HA GLY 9 1HA GLY 9 -0.646 4.904 -7.639 82 H LYS 10 H LYS 10 -1.602 6.651 -8.957 83 HA LYS 10 HA LYS 10 -0.045 7.776 -11.086 84 1HB LYS 10 2HB LYS 10 -2.337 8.946 -9.504 85 2HB LYS 10 1HB LYS 10 -1.666 9.634 -10.976 86 1HG LYS 10 2HG LYS 10 -2.313 7.575 -12.181 87 2HG LYS 10 1HG LYS 10 -3.079 6.990 -10.705 88 1HD LYS 10 2HD LYS 10 -3.809 9.545 -12.135 89 2HD LYS 10 1HD LYS 10 -4.676 8.017 -12.297 90 1HE LYS 10 2HE LYS 10 -5.890 9.305 -10.730 91 2HE LYS 10 1HE LYS 10 -5.024 8.088 -9.798 92 1HZ LYS 10 1HZ LYS 10 -3.508 10.491 -10.098 93 2HZ LYS 10 2HZ LYS 10 -3.934 9.655 -8.689 94 3HZ LYS 10 3HZ LYS 10 -5.003 10.783 -9.360 95 H THR 11 H THR 11 -0.862 8.929 -7.802 96 HA THR 11 HA THR 11 1.490 10.670 -7.887 97 HB THR 11 HB THR 11 0.257 11.697 -5.860 98 HG1 THR 11 1HG THR 11 -2.030 11.342 -6.009 99 1HG2 THR 11 1HG2 THR 11 -0.417 13.307 -7.224 100 2HG2 THR 11 2HG2 THR 11 -1.566 12.238 -8.028 101 3HG2 THR 11 3HG2 THR 11 0.117 12.283 -8.556 102 H LEU 12 H LEU 12 0.868 7.674 -6.935 103 HA LEU 12 HA LEU 12 2.646 7.911 -4.630 104 1HB LEU 12 2HB LEU 12 0.388 7.764 -3.735 105 2HB LEU 12 1HB LEU 12 0.096 6.306 -4.665 106 HG LEU 12 HG LEU 12 1.679 5.073 -3.345 107 1HD1 LEU 12 1HD1 LEU 12 2.614 7.723 -2.689 108 2HD1 LEU 12 2HD1 LEU 12 3.441 6.177 -2.560 109 3HD1 LEU 12 3HD1 LEU 12 2.397 6.734 -1.248 110 1HD2 LEU 12 1HD2 LEU 12 0.183 4.738 -1.731 111 2HD2 LEU 12 2HD2 LEU 12 -0.704 6.117 -2.379 112 3HD2 LEU 12 3HD2 LEU 12 0.444 6.349 -1.062 113 H LYS 13 H LYS 13 4.125 6.359 -4.427 114 HA LYS 13 HA LYS 13 3.922 3.906 -5.981 115 1HB LYS 13 2HB LYS 13 6.247 5.823 -6.269 116 2HB LYS 13 1HB LYS 13 6.181 4.199 -6.943 117 1HG LYS 13 2HG LYS 13 4.269 4.855 -8.323 118 2HG LYS 13 1HG LYS 13 4.357 6.486 -7.657 119 1HD LYS 13 2HD LYS 13 6.596 6.756 -8.583 120 2HD LYS 13 1HD LYS 13 6.540 5.111 -9.222 121 1HE LYS 13 2HE LYS 13 4.624 5.734 -10.622 122 2HE LYS 13 1HE LYS 13 4.703 7.378 -9.991 123 1HZ LYS 13 1HZ LYS 13 5.794 7.307 -12.097 124 2HZ LYS 13 2HZ LYS 13 6.760 6.001 -11.628 125 3HZ LYS 13 3HZ LYS 13 6.981 7.515 -10.909 126 H GLY 14 H GLY 14 5.175 2.206 -5.123 127 1HA GLY 14 2HA GLY 14 7.169 2.566 -3.163 128 2HA GLY 14 1HA GLY 14 5.627 2.320 -2.363 129 H GLU 15 H GLU 15 6.923 0.491 -1.506 130 HA GLU 15 HA GLU 15 6.288 -1.894 -3.048 131 1HB GLU 15 2HB GLU 15 9.052 -1.369 -1.931 132 2HB GLU 15 1HB GLU 15 8.514 -2.873 -2.666 133 1HG GLU 15 2HG GLU 15 8.178 -1.721 -4.791 134 2HG GLU 15 1HG GLU 15 8.710 -0.209 -4.055 135 H THR 16 H THR 16 5.600 -3.520 -1.806 136 HA THR 16 HA THR 16 6.070 -3.392 1.081 137 HB THR 16 HB THR 16 3.927 -2.522 1.067 138 HG1 THR 16 1HG THR 16 3.394 -5.281 1.009 139 1HG2 THR 16 1HG2 THR 16 3.388 -4.248 -1.309 140 2HG2 THR 16 2HG2 THR 16 3.239 -2.500 -1.150 141 3HG2 THR 16 3HG2 THR 16 2.077 -3.563 -0.354 142 H THR 17 H THR 17 5.374 -5.525 2.166 143 HA THR 17 HA THR 17 5.685 -7.795 0.353 144 HB THR 17 HB THR 17 7.425 -8.766 1.882 145 HG1 THR 17 1HG THR 17 7.205 -7.510 3.685 146 1HG2 THR 17 1HG2 THR 17 8.474 -8.064 -0.001 147 2HG2 THR 17 2HG2 THR 17 9.224 -6.983 1.173 148 3HG2 THR 17 3HG2 THR 17 7.902 -6.404 0.160 149 H THR 18 H THR 18 4.141 -9.177 0.756 150 HA THR 18 HA THR 18 3.075 -9.488 3.496 151 HB THR 18 HB THR 18 1.452 -8.921 1.696 152 HG1 THR 18 1HG THR 18 0.881 -10.273 3.507 153 1HG2 THR 18 1HG2 THR 18 1.197 -11.467 0.464 154 2HG2 THR 18 2HG2 THR 18 2.836 -10.868 0.202 155 3HG2 THR 18 3HG2 THR 18 1.451 -9.889 -0.285 156 H GLU 19 H GLU 19 3.127 -11.478 4.486 157 HA GLU 19 HA GLU 19 4.789 -13.539 3.195 158 1HB GLU 19 2HB GLU 19 5.541 -12.752 5.395 159 2HB GLU 19 1HB GLU 19 3.982 -13.167 6.093 160 1HG GLU 19 2HG GLU 19 5.639 -14.833 6.652 161 2HG GLU 19 1HG GLU 19 4.394 -15.526 5.613 162 H ALA 20 H ALA 20 3.555 -14.994 2.078 163 HA ALA 20 HA ALA 20 1.337 -16.236 3.514 164 1HB ALA 20 1HB ALA 20 0.737 -14.277 1.805 165 2HB ALA 20 2HB ALA 20 -0.295 -15.687 2.045 166 3HB ALA 20 3HB ALA 20 0.806 -15.624 0.669 167 H VAL 21 H VAL 21 0.797 -18.286 2.839 168 HA VAL 21 HA VAL 21 2.804 -20.026 2.149 169 HB VAL 21 HB VAL 21 -0.102 -20.514 1.511 170 1HG1 VAL 21 1HG1 VAL 21 0.376 -22.815 1.765 171 2HG1 VAL 21 2HG1 VAL 21 1.976 -22.484 2.428 172 3HG1 VAL 21 3HG1 VAL 21 1.643 -22.160 0.727 173 1HG2 VAL 21 1HG2 VAL 21 0.011 -21.560 3.895 174 2HG2 VAL 21 2HG2 VAL 21 -0.260 -19.826 3.704 175 3HG2 VAL 21 3HG2 VAL 21 1.344 -20.429 4.121 176 H ASP 22 H ASP 22 0.552 -18.409 -0.027 177 HA ASP 22 HA ASP 22 2.298 -19.103 -2.257 178 1HB ASP 22 2HB ASP 22 0.487 -19.905 -3.679 179 2HB ASP 22 1HB ASP 22 0.618 -20.898 -2.232 180 H ALA 23 H ALA 23 1.475 -17.995 -4.343 181 HA ALA 23 HA ALA 23 1.509 -15.246 -3.928 182 1HB ALA 23 1HB ALA 23 1.085 -15.021 -6.301 183 2HB ALA 23 2HB ALA 23 0.531 -16.692 -6.383 184 3HB ALA 23 3HB ALA 23 2.218 -16.341 -6.012 185 H ALA 24 H ALA 24 -1.232 -17.385 -4.583 186 HA ALA 24 HA ALA 24 -3.173 -15.351 -4.812 187 1HB ALA 24 1HB ALA 24 -3.372 -17.847 -5.409 188 2HB ALA 24 2HB ALA 24 -4.787 -17.047 -4.724 189 3HB ALA 24 3HB ALA 24 -3.780 -18.080 -3.709 190 H THR 25 H THR 25 -2.288 -17.400 -2.022 191 HA THR 25 HA THR 25 -3.964 -16.240 -0.145 192 HB THR 25 HB THR 25 -2.307 -17.031 1.527 193 HG1 THR 25 1HG THR 25 -0.340 -17.435 1.009 194 1HG2 THR 25 1HG2 THR 25 -2.967 -18.904 -0.706 195 2HG2 THR 25 2HG2 THR 25 -3.754 -18.743 0.863 196 3HG2 THR 25 3HG2 THR 25 -2.132 -19.428 0.756 197 H ALA 26 H ALA 26 -0.697 -15.359 -1.164 198 HA ALA 26 HA ALA 26 -0.340 -13.165 0.557 199 1HB ALA 26 1HB ALA 26 0.975 -14.259 -1.794 200 2HB ALA 26 2HB ALA 26 1.665 -13.422 -0.406 201 3HB ALA 26 3HB ALA 26 1.021 -12.497 -1.762 202 H GLU 27 H GLU 27 -1.475 -13.308 -2.834 203 HA GLU 27 HA GLU 27 -2.057 -10.656 -3.232 204 1HB GLU 27 2HB GLU 27 -2.177 -12.339 -5.002 205 2HB GLU 27 1HB GLU 27 -3.586 -13.059 -4.236 206 1HG GLU 27 2HG GLU 27 -4.846 -11.000 -4.617 207 2HG GLU 27 1HG GLU 27 -3.433 -10.285 -5.391 208 H LYS 28 H LYS 28 -4.176 -13.174 -1.876 209 HA LYS 28 HA LYS 28 -6.407 -11.528 -1.436 210 1HB LYS 28 2HB LYS 28 -5.505 -13.997 0.059 211 2HB LYS 28 1HB LYS 28 -7.095 -13.258 0.214 212 1HG LYS 28 2HG LYS 28 -5.929 -14.459 -2.288 213 2HG LYS 28 1HG LYS 28 -7.182 -15.168 -1.267 214 1HD LYS 28 2HD LYS 28 -7.414 -12.540 -2.732 215 2HD LYS 28 1HD LYS 28 -8.098 -14.073 -3.282 216 1HE LYS 28 2HE LYS 28 -8.781 -12.640 -0.716 217 2HE LYS 28 1HE LYS 28 -9.782 -12.698 -2.167 218 1HZ LYS 28 1HZ LYS 28 -9.493 -14.634 -0.078 219 2HZ LYS 28 2HZ LYS 28 -9.280 -15.316 -1.610 220 3HZ LYS 28 3HZ LYS 28 -10.707 -14.483 -1.248 221 H VAL 29 H VAL 29 -3.635 -12.339 0.593 222 HA VAL 29 HA VAL 29 -4.416 -11.028 2.923 223 HB VAL 29 HB VAL 29 -1.644 -11.428 1.781 224 1HG1 VAL 29 1HG1 VAL 29 -1.124 -11.232 4.354 225 2HG1 VAL 29 2HG1 VAL 29 -2.570 -10.224 4.336 226 3HG1 VAL 29 3HG1 VAL 29 -1.188 -9.803 3.323 227 1HG2 VAL 29 1HG2 VAL 29 -1.632 -13.479 2.703 228 2HG2 VAL 29 2HG2 VAL 29 -3.387 -13.324 2.622 229 3HG2 VAL 29 3HG2 VAL 29 -2.536 -12.960 4.124 230 H VAL 30 H VAL 30 -2.787 -9.821 0.036 231 HA VAL 30 HA VAL 30 -2.355 -7.197 1.027 232 HB VAL 30 HB VAL 30 -2.708 -8.016 -1.862 233 1HG1 VAL 30 1HG1 VAL 30 -0.891 -5.841 -0.963 234 2HG1 VAL 30 2HG1 VAL 30 -2.626 -5.524 -0.976 235 3HG1 VAL 30 3HG1 VAL 30 -1.805 -6.001 -2.461 236 1HG2 VAL 30 1HG2 VAL 30 -0.863 -9.102 -0.192 237 2HG2 VAL 30 2HG2 VAL 30 0.014 -7.701 -0.809 238 3HG2 VAL 30 3HG2 VAL 30 -0.640 -8.895 -1.930 239 H LYS 31 H LYS 31 -4.891 -8.664 -1.030 240 HA LYS 31 HA LYS 31 -6.480 -6.468 -1.474 241 1HB LYS 31 2HB LYS 31 -7.365 -9.288 -0.867 242 2HB LYS 31 1HB LYS 31 -8.425 -8.032 -1.489 243 1HG LYS 31 2HG LYS 31 -6.892 -7.853 -3.457 244 2HG LYS 31 1HG LYS 31 -6.076 -9.299 -2.859 245 1HD LYS 31 2HD LYS 31 -7.637 -10.116 -4.402 246 2HD LYS 31 1HD LYS 31 -8.405 -10.365 -2.830 247 1HE LYS 31 2HE LYS 31 -10.006 -9.451 -4.407 248 2HE LYS 31 1HE LYS 31 -9.667 -8.281 -3.132 249 1HZ LYS 31 1HZ LYS 31 -9.623 -7.705 -5.737 250 2HZ LYS 31 2HZ LYS 31 -7.989 -8.065 -5.483 251 3HZ LYS 31 3HZ LYS 31 -8.741 -6.854 -4.571 252 H GLN 32 H GLN 32 -6.551 -8.662 1.301 253 HA GLN 32 HA GLN 32 -8.593 -7.348 2.720 254 1HB GLN 32 2HB GLN 32 -7.484 -9.657 3.140 255 2HB GLN 32 1HB GLN 32 -6.295 -8.751 4.065 256 1HG GLN 32 2HG GLN 32 -8.057 -9.698 5.474 257 2HG GLN 32 1HG GLN 32 -8.012 -7.935 5.550 258 1HE2 GLN 32 1HE2 GLN 32 -9.857 -10.698 4.753 259 2HE2 GLN 32 2HE2 GLN 32 -11.291 -9.881 4.244 260 H PHE 33 H PHE 33 -5.138 -6.897 2.531 261 HA PHE 33 HA PHE 33 -4.672 -5.108 4.598 262 1HB PHE 33 2HB PHE 33 -2.990 -6.232 3.070 263 2HB PHE 33 1HB PHE 33 -3.392 -5.029 1.854 264 HD1 PHE 33 1HD PHE 33 -2.201 -5.322 5.361 265 HD2 PHE 33 2HD PHE 33 -2.162 -3.079 1.732 266 HE1 PHE 33 1HE PHE 33 -0.492 -3.814 6.296 267 HE2 PHE 33 2HE PHE 33 -0.456 -1.581 2.676 268 HZ PHE 33 HZ PHE 33 0.377 -1.956 4.964 269 H PHE 34 H PHE 34 -5.246 -4.306 1.191 270 HA PHE 34 HA PHE 34 -5.701 -1.526 1.679 271 1HB PHE 34 2HB PHE 34 -6.390 -3.191 -0.745 272 2HB PHE 34 1HB PHE 34 -6.378 -1.427 -0.678 273 HD1 PHE 34 1HD PHE 34 -3.994 -0.860 0.862 274 HD2 PHE 34 2HD PHE 34 -4.651 -3.783 -2.154 275 HE1 PHE 34 1HE PHE 34 -1.590 -0.872 0.360 276 HE2 PHE 34 2HE PHE 34 -2.250 -3.800 -2.668 277 HZ PHE 34 HZ PHE 34 -0.719 -2.342 -1.393 278 H ASN 35 H ASN 35 -7.784 -4.306 1.209 279 HA ASN 35 HA ASN 35 -10.274 -3.150 0.990 280 1HB ASN 35 2HB ASN 35 -9.761 -5.592 0.923 281 2HB ASN 35 1HB ASN 35 -9.552 -5.567 2.670 282 1HD2 ASN 35 1HD2 ASN 35 -11.500 -6.676 0.534 283 2HD2 ASN 35 2HD2 ASN 35 -13.046 -6.428 1.269 284 H ASP 36 H ASP 36 -8.299 -3.699 3.809 285 HA ASP 36 HA ASP 36 -10.255 -2.438 5.574 286 1HB ASP 36 2HB ASP 36 -7.654 -3.842 6.182 287 2HB ASP 36 1HB ASP 36 -8.723 -3.155 7.400 288 H ASN 37 H ASN 37 -7.260 -1.644 3.984 289 HA ASN 37 HA ASN 37 -6.619 0.518 5.796 290 1HB ASN 37 2HB ASN 37 -5.542 -0.164 3.051 291 2HB ASN 37 1HB ASN 37 -4.960 1.174 4.029 292 1HD2 ASN 37 1HD2 ASN 37 -3.785 -1.438 3.001 293 2HD2 ASN 37 2HD2 ASN 37 -3.048 -2.126 4.406 294 H GLY 38 H GLY 38 -7.935 0.162 2.565 295 1HA GLY 38 2HA GLY 38 -8.405 2.193 1.220 296 2HA GLY 38 1HA GLY 38 -9.852 1.472 1.888 297 H VAL 39 H VAL 39 -11.202 2.839 2.748 298 HA VAL 39 HA VAL 39 -10.213 5.478 3.597 299 HB VAL 39 HB VAL 39 -13.015 4.687 2.889 300 1HG1 VAL 39 1HG1 VAL 39 -13.371 6.677 3.899 301 2HG1 VAL 39 2HG1 VAL 39 -12.842 7.323 2.345 302 3HG1 VAL 39 3HG1 VAL 39 -11.701 7.205 3.685 303 1HG2 VAL 39 1HG2 VAL 39 -11.008 6.050 1.103 304 2HG2 VAL 39 2HG2 VAL 39 -12.650 5.559 0.685 305 3HG2 VAL 39 3HG2 VAL 39 -11.421 4.339 1.012 306 H ASP 40 H ASP 40 -11.030 2.714 5.219 307 HA ASP 40 HA ASP 40 -12.262 4.286 7.376 308 1HB ASP 40 2HB ASP 40 -12.850 1.412 6.647 309 2HB ASP 40 1HB ASP 40 -13.493 2.254 8.054 310 H GLY 41 H GLY 41 -9.423 3.146 6.618 311 1HA GLY 41 2HA GLY 41 -8.860 1.437 8.881 312 2HA GLY 41 1HA GLY 41 -7.700 2.029 7.704 313 H GLU 42 H GLU 42 -6.789 1.992 10.160 314 HA GLU 42 HA GLU 42 -7.235 4.607 11.398 315 1HB GLU 42 2HB GLU 42 -5.628 2.228 12.352 316 2HB GLU 42 1HB GLU 42 -5.877 3.714 13.259 317 1HG GLU 42 2HG GLU 42 -8.023 1.777 12.415 318 2HG GLU 42 1HG GLU 42 -7.345 1.938 14.036 319 H TRP 43 H TRP 43 -6.138 6.096 10.215 320 HA TRP 43 HA TRP 43 -3.430 5.558 9.329 321 1HB TRP 43 2HB TRP 43 -5.258 7.925 8.929 322 2HB TRP 43 1HB TRP 43 -3.648 7.783 8.232 323 HD1 TRP 43 HD TRP 43 -6.768 5.445 8.259 324 HE1 TRP 43 1HE TRP 43 -7.116 4.593 5.858 325 HE3 TRP 43 3HE TRP 43 -2.876 7.848 6.003 326 HZ2 TRP 43 2HZ TRP 43 -5.875 4.906 3.322 327 HZ3 TRP 43 3HZ TRP 43 -2.519 7.526 3.599 328 HH2 TRP 43 HH TRP 43 -3.992 6.086 2.283 329 H THR 44 H THR 44 -1.805 5.874 10.703 330 HA THR 44 HA THR 44 -1.925 8.172 12.539 331 HB THR 44 HB THR 44 -0.152 6.991 13.824 332 HG1 THR 44 1HG THR 44 0.232 4.794 13.274 333 1HG2 THR 44 1HG2 THR 44 -1.560 4.937 14.464 334 2HG2 THR 44 2HG2 THR 44 -2.763 5.613 13.365 335 3HG2 THR 44 3HG2 THR 44 -2.217 6.547 14.759 336 H TYR 45 H TYR 45 -0.403 9.772 12.355 337 HA TYR 45 HA TYR 45 1.579 9.426 10.203 338 1HB TYR 45 2HB TYR 45 -0.179 11.160 9.846 339 2HB TYR 45 1HB TYR 45 0.429 12.015 11.259 340 HD1 TYR 45 1HD TYR 45 2.471 10.317 8.664 341 HD2 TYR 45 2HD TYR 45 1.150 14.029 10.272 342 HE1 TYR 45 1HE TYR 45 4.083 11.503 7.235 343 HE2 TYR 45 2HE TYR 45 2.759 15.224 8.846 344 HH TYR 45 HH TYR 45 4.017 14.908 6.825 345 H ASP 46 H ASP 46 3.686 10.144 10.468 346 HA ASP 46 HA ASP 46 4.486 10.802 13.225 347 1HB ASP 46 2HB ASP 46 5.116 8.492 12.676 348 2HB ASP 46 1HB ASP 46 5.973 9.058 11.246 349 H ASP 47 H ASP 47 4.375 13.027 12.584 350 HA ASP 47 HA ASP 47 5.564 14.279 10.464 351 1HB ASP 47 2HB ASP 47 5.481 15.271 13.320 352 2HB ASP 47 1HB ASP 47 5.751 16.276 11.900 353 H ALA 48 H ALA 48 7.134 13.069 13.368 354 HA ALA 48 HA ALA 48 9.571 14.310 13.288 355 1HB ALA 48 1HB ALA 48 10.231 12.782 14.804 356 2HB ALA 48 2HB ALA 48 9.708 11.417 13.817 357 3HB ALA 48 3HB ALA 48 8.530 12.319 14.767 358 H THR 49 H THR 49 8.443 11.718 11.200 359 HA THR 49 HA THR 49 10.929 12.009 9.647 360 HB THR 49 HB THR 49 10.787 9.609 9.071 361 HG1 THR 49 1HG THR 49 9.232 8.368 9.824 362 1HG2 THR 49 1HG2 THR 49 11.529 10.647 11.607 363 2HG2 THR 49 2HG2 THR 49 12.176 9.251 10.744 364 3HG2 THR 49 3HG2 THR 49 10.803 9.056 11.834 365 H LYS 50 H LYS 50 8.008 13.014 9.488 366 HA LYS 50 HA LYS 50 6.393 13.356 7.893 367 1HB LYS 50 2HB LYS 50 8.790 13.029 6.081 368 2HB LYS 50 1HB LYS 50 7.249 13.735 5.611 369 1HG LYS 50 2HG LYS 50 7.943 15.188 7.841 370 2HG LYS 50 1HG LYS 50 9.489 14.918 7.032 371 1HD LYS 50 2HD LYS 50 8.542 15.792 4.944 372 2HD LYS 50 1HD LYS 50 7.004 16.063 5.767 373 1HE LYS 50 2HE LYS 50 9.637 17.364 6.465 374 2HE LYS 50 1HE LYS 50 8.310 18.127 5.590 375 1HZ LYS 50 1HZ LYS 50 6.938 17.548 7.648 376 2HZ LYS 50 2HZ LYS 50 8.032 18.831 7.768 377 3HZ LYS 50 3HZ LYS 50 8.424 17.324 8.428 378 H THR 51 H THR 51 6.690 10.655 8.779 379 HA THR 51 HA THR 51 5.987 9.174 6.338 380 HB THR 51 HB THR 51 7.160 8.156 8.929 381 HG1 THR 51 1HG THR 51 8.601 9.243 7.464 382 1HG2 THR 51 1HG2 THR 51 7.364 6.275 6.821 383 2HG2 THR 51 2HG2 THR 51 5.670 6.728 7.008 384 3HG2 THR 51 3HG2 THR 51 6.573 6.102 8.387 385 H PHE 52 H PHE 52 4.149 7.990 6.269 386 HA PHE 52 HA PHE 52 2.271 8.346 8.507 387 1HB PHE 52 2HB PHE 52 1.667 7.688 5.616 388 2HB PHE 52 1HB PHE 52 0.483 8.016 6.876 389 HD1 PHE 52 1HD PHE 52 -0.284 10.176 7.219 390 HD2 PHE 52 2HD PHE 52 3.325 9.561 5.051 391 HE1 PHE 52 1HE PHE 52 -0.227 12.567 6.645 392 HE2 PHE 52 2HE PHE 52 3.389 11.952 4.475 393 HZ PHE 52 HZ PHE 52 1.612 13.458 5.272 394 H THR 53 H THR 53 1.560 6.603 9.593 395 HA THR 53 HA THR 53 2.254 3.964 8.500 396 HB THR 53 HB THR 53 1.968 3.269 10.994 397 HG1 THR 53 1HG THR 53 1.246 5.479 11.521 398 1HG2 THR 53 1HG2 THR 53 4.107 2.906 10.461 399 2HG2 THR 53 2HG2 THR 53 4.383 4.385 11.387 400 3HG2 THR 53 3HG2 THR 53 4.276 4.454 9.628 401 H VAL 54 H VAL 54 0.698 2.683 7.934 402 HA VAL 54 HA VAL 54 -2.033 3.201 8.907 403 HB VAL 54 HB VAL 54 -1.178 1.700 6.418 404 1HG1 VAL 54 1HG1 VAL 54 -3.632 1.938 5.859 405 2HG1 VAL 54 2HG1 VAL 54 -3.880 2.394 7.545 406 3HG1 VAL 54 3HG1 VAL 54 -3.241 0.800 7.147 407 1HG2 VAL 54 1HG2 VAL 54 -0.800 3.809 5.695 408 2HG2 VAL 54 2HG2 VAL 54 -1.831 4.534 6.929 409 3HG2 VAL 54 3HG2 VAL 54 -2.553 3.810 5.492 410 H THR 55 H THR 55 -2.392 1.918 10.628 411 HA THR 55 HA THR 55 -1.199 -0.738 10.674 412 HB THR 55 HB THR 55 -2.831 0.540 12.858 413 HG1 THR 55 1HG THR 55 -0.051 0.725 12.321 414 1HG2 THR 55 1HG2 THR 55 -1.254 -0.872 14.258 415 2HG2 THR 55 2HG2 THR 55 -0.859 -1.717 12.759 416 3HG2 THR 55 3HG2 THR 55 -2.517 -1.723 13.369 417 H GLU 56 H GLU 56 -2.265 -2.301 9.703 418 HA GLU 56 HA GLU 56 -4.892 -2.383 8.928 419 1HB GLU 56 2HB GLU 56 -3.251 -3.976 8.125 420 2HB GLU 56 1HB GLU 56 -3.088 -4.671 9.731 421 1HG GLU 56 2HG GLU 56 -4.423 -6.091 8.290 422 2HG GLU 56 1HG GLU 56 -5.383 -5.473 9.633 423 1H MET 1 1HT MET 1 6.348 18.530 -2.329 424 2H MET 1 2HT MET 1 6.902 19.640 -1.179 425 3H MET 1 3HT MET 1 5.708 18.517 -0.764 426 HA MET 1 HA MET 1 8.508 17.875 -1.495 427 1HB MET 1 2HB MET 1 7.050 17.823 1.156 428 2HB MET 1 1HB MET 1 8.678 17.216 0.894 429 1HG MET 1 2HG MET 1 9.414 19.463 0.283 430 2HG MET 1 1HG MET 1 7.783 20.068 0.559 431 1HE MET 1 1HE MET 1 7.325 19.618 4.384 432 2HE MET 1 2HE MET 1 7.028 18.275 3.280 433 3HE MET 1 3HE MET 1 6.555 19.912 2.825 434 H GLN 2 H GLN 2 8.945 15.609 -0.463 435 HA GLN 2 HA GLN 2 6.842 13.800 -1.425 436 1HB GLN 2 2HB GLN 2 8.971 13.618 -2.638 437 2HB GLN 2 1HB GLN 2 9.816 13.324 -1.125 438 1HG GLN 2 2HG GLN 2 8.554 11.254 -0.824 439 2HG GLN 2 1HG GLN 2 7.712 11.548 -2.342 440 1HE2 GLN 2 1HE2 GLN 2 10.772 12.660 -2.818 441 2HE2 GLN 2 2HE2 GLN 2 11.492 11.241 -3.482 442 H TYR 3 H TYR 3 6.265 12.006 -0.159 443 HA TYR 3 HA TYR 3 7.283 12.030 2.602 444 1HB TYR 3 2HB TYR 3 4.395 11.737 1.754 445 2HB TYR 3 1HB TYR 3 4.992 11.571 3.403 446 HD1 TYR 3 1HD TYR 3 4.748 13.405 4.780 447 HD2 TYR 3 2HD TYR 3 5.178 14.038 0.595 448 HE1 TYR 3 1HE TYR 3 4.482 15.825 5.123 449 HE2 TYR 3 2HE TYR 3 4.914 16.460 0.928 450 HH TYR 3 HH TYR 3 5.134 18.116 2.655 451 H LYS 4 H LYS 4 7.329 10.041 3.676 452 HA LYS 4 HA LYS 4 7.120 7.720 1.874 453 1HB LYS 4 2HB LYS 4 9.380 8.113 2.733 454 2HB LYS 4 1HB LYS 4 8.773 8.069 4.383 455 1HG LYS 4 2HG LYS 4 8.147 5.735 4.112 456 2HG LYS 4 1HG LYS 4 8.701 5.770 2.438 457 1HD LYS 4 2HD LYS 4 10.432 6.259 4.862 458 2HD LYS 4 1HD LYS 4 10.356 4.750 3.949 459 1HE LYS 4 2HE LYS 4 11.241 7.433 2.890 460 2HE LYS 4 1HE LYS 4 12.292 6.074 3.286 461 1HZ LYS 4 1HZ LYS 4 12.055 5.656 1.102 462 2HZ LYS 4 2HZ LYS 4 10.586 6.485 0.970 463 3HZ LYS 4 3HZ LYS 4 10.616 4.911 1.588 464 H VAL 5 H VAL 5 5.219 6.746 2.159 465 HA VAL 5 HA VAL 5 4.021 6.689 4.814 466 HB VAL 5 HB VAL 5 2.881 5.753 2.179 467 1HG1 VAL 5 1HG1 VAL 5 0.959 6.437 4.214 468 2HG1 VAL 5 2HG1 VAL 5 2.047 5.169 4.779 469 3HG1 VAL 5 3HG1 VAL 5 1.132 4.946 3.289 470 1HG2 VAL 5 1HG2 VAL 5 2.754 7.949 1.762 471 2HG2 VAL 5 2HG2 VAL 5 3.069 8.385 3.441 472 3HG2 VAL 5 3HG2 VAL 5 1.439 7.940 2.935 473 H ILE 6 H ILE 6 4.157 5.042 6.100 474 HA ILE 6 HA ILE 6 5.209 2.490 5.137 475 HB ILE 6 HB ILE 6 4.867 3.623 7.915 476 1HG1 ILE 6 2HG1 ILE 6 7.327 2.773 6.376 477 2HG1 ILE 6 1HG1 ILE 6 6.787 4.434 6.581 478 1HG2 ILE 6 1HG2 ILE 6 4.575 1.493 8.564 479 2HG2 ILE 6 2HG2 ILE 6 6.316 1.373 8.307 480 3HG2 ILE 6 3HG2 ILE 6 5.201 0.836 7.051 481 1HD1 ILE 6 1HD1 ILE 6 7.732 2.558 8.733 482 2HD1 ILE 6 2HD1 ILE 6 7.056 4.160 9.029 483 3HD1 ILE 6 3HD1 ILE 6 8.559 3.990 8.123 484 H LEU 7 H LEU 7 3.877 0.885 4.704 485 HA LEU 7 HA LEU 7 1.143 0.957 5.762 486 1HB LEU 7 2HB LEU 7 2.142 -0.957 3.670 487 2HB LEU 7 1HB LEU 7 0.506 -0.382 3.939 488 HG LEU 7 HG LEU 7 2.787 1.180 2.745 489 1HD1 LEU 7 1HD1 LEU 7 1.805 -0.382 1.199 490 2HD1 LEU 7 2HD1 LEU 7 1.295 1.255 0.780 491 3HD1 LEU 7 3HD1 LEU 7 0.183 0.170 1.617 492 1HD2 LEU 7 1HD2 LEU 7 -0.008 2.062 3.450 493 2HD2 LEU 7 2HD2 LEU 7 1.119 2.980 2.451 494 3HD2 LEU 7 3HD2 LEU 7 1.498 2.662 4.143 495 H ASN 8 H ASN 8 1.579 0.195 7.868 496 HA ASN 8 HA ASN 8 2.854 -2.413 8.147 497 1HB ASN 8 2HB ASN 8 3.496 -0.435 9.562 498 2HB ASN 8 1HB ASN 8 1.900 -0.520 10.296 499 1HD2 ASN 8 1HD2 ASN 8 4.908 -1.113 10.968 500 2HD2 ASN 8 2HD2 ASN 8 4.785 -2.548 11.926 501 H GLY 9 H GLY 9 1.481 -4.092 7.841 502 1HA GLY 9 2HA GLY 9 -1.137 -3.943 9.206 503 2HA GLY 9 1HA GLY 9 -0.873 -4.833 7.717 504 H LYS 10 H LYS 10 -1.889 -6.556 9.023 505 HA LYS 10 HA LYS 10 -0.391 -7.718 11.174 506 1HB LYS 10 2HB LYS 10 -2.688 -8.832 9.557 507 2HB LYS 10 1HB LYS 10 -2.056 -9.536 11.039 508 1HG LYS 10 2HG LYS 10 -2.669 -7.463 12.236 509 2HG LYS 10 1HG LYS 10 -3.399 -6.859 10.748 510 1HD LYS 10 2HD LYS 10 -4.211 -9.394 12.167 511 2HD LYS 10 1HD LYS 10 -5.043 -7.848 12.316 512 1HE LYS 10 2HE LYS 10 -6.267 -9.106 10.733 513 2HE LYS 10 1HE LYS 10 -5.356 -7.909 9.814 514 1HZ LYS 10 1HZ LYS 10 -3.906 -10.349 10.133 515 2HZ LYS 10 2HZ LYS 10 -4.290 -9.504 8.721 516 3HZ LYS 10 3HZ LYS 10 -5.395 -10.604 9.375 517 H THR 11 H THR 11 -1.188 -8.851 7.877 518 HA THR 11 HA THR 11 1.119 -10.650 7.994 519 HB THR 11 HB THR 11 -0.111 -11.646 5.951 520 HG1 THR 11 1HG THR 11 -2.390 -11.236 6.067 521 1HG2 THR 11 1HG2 THR 11 -0.843 -13.239 7.303 522 2HG2 THR 11 2HG2 THR 11 -1.976 -12.143 8.094 523 3HG2 THR 11 3HG2 THR 11 -0.302 -12.228 8.644 524 H LEU 12 H LEU 12 0.583 -7.639 7.035 525 HA LEU 12 HA LEU 12 2.388 -7.919 4.755 526 1HB LEU 12 2HB LEU 12 0.146 -7.717 3.827 527 2HB LEU 12 1HB LEU 12 -0.123 -6.252 4.754 528 HG LEU 12 HG LEU 12 1.508 -5.058 3.457 529 1HD1 LEU 12 1HD1 LEU 12 2.386 -7.731 2.814 530 2HD1 LEU 12 2HD1 LEU 12 3.252 -6.207 2.696 531 3HD1 LEU 12 3HD1 LEU 12 2.215 -6.737 1.370 532 1HD2 LEU 12 1HD2 LEU 12 0.044 -4.688 1.822 533 2HD2 LEU 12 2HD2 LEU 12 -0.886 -6.045 2.457 534 3HD2 LEU 12 3HD2 LEU 12 0.275 -6.304 1.156 535 H LYS 13 H LYS 13 3.905 -6.403 4.572 536 HA LYS 13 HA LYS 13 3.741 -3.947 6.126 537 1HB LYS 13 2HB LYS 13 6.015 -5.919 6.445 538 2HB LYS 13 1HB LYS 13 5.978 -4.294 7.118 539 1HG LYS 13 2HG LYS 13 4.032 -4.903 8.471 540 2HG LYS 13 1HG LYS 13 4.088 -6.537 7.805 541 1HD LYS 13 2HD LYS 13 6.309 -6.860 8.764 542 2HD LYS 13 1HD LYS 13 6.282 -5.215 9.402 543 1HE LYS 13 2HE LYS 13 4.333 -5.791 10.774 544 2HE LYS 13 1HE LYS 13 4.381 -7.436 10.145 545 1HZ LYS 13 1HZ LYS 13 5.443 -7.391 12.266 546 2HZ LYS 13 2HZ LYS 13 6.447 -6.108 11.810 547 3HZ LYS 13 3HZ LYS 13 6.641 -7.628 11.095 548 H GLY 14 H GLY 14 5.047 -2.279 5.286 549 1HA GLY 14 2HA GLY 14 7.059 -2.687 3.353 550 2HA GLY 14 1HA GLY 14 5.535 -2.402 2.530 551 H GLU 15 H GLU 15 6.887 -0.607 1.693 552 HA GLU 15 HA GLU 15 6.289 1.794 3.226 553 1HB GLU 15 2HB GLU 15 9.053 1.201 2.149 554 2HB GLU 15 1HB GLU 15 8.544 2.718 2.876 555 1HG GLU 15 2HG GLU 15 8.150 1.574 4.996 556 2HG GLU 15 1HG GLU 15 8.654 0.051 4.267 557 H THR 16 H THR 16 5.657 3.436 1.975 558 HA THR 16 HA THR 16 6.165 3.295 -0.906 559 HB THR 16 HB THR 16 4.002 2.479 -0.922 560 HG1 THR 16 1HG THR 16 3.536 5.249 -0.871 561 1HG2 THR 16 1HG2 THR 16 3.473 4.217 1.447 562 2HG2 THR 16 2HG2 THR 16 3.283 2.474 1.285 563 3HG2 THR 16 3HG2 THR 16 2.158 3.563 0.473 564 H THR 17 H THR 17 5.537 5.445 -1.999 565 HA THR 17 HA THR 17 5.876 7.708 -0.182 566 HB THR 17 HB THR 17 7.661 8.636 -1.686 567 HG1 THR 17 1HG THR 17 7.437 7.386 -3.492 568 1HG2 THR 17 1HG2 THR 17 8.666 7.908 0.213 569 2HG2 THR 17 2HG2 THR 17 9.407 6.809 -0.951 570 3HG2 THR 17 3HG2 THR 17 8.057 6.263 0.042 571 H THR 18 H THR 18 4.373 9.127 -0.607 572 HA THR 18 HA THR 18 3.353 9.462 -3.359 573 HB THR 18 HB THR 18 1.692 8.935 -1.584 574 HG1 THR 18 1HG THR 18 1.180 10.301 -3.403 575 1HG2 THR 18 1HG2 THR 18 1.483 11.486 -0.356 576 2HG2 THR 18 2HG2 THR 18 3.101 10.848 -0.071 577 3HG2 THR 18 3HG2 THR 18 1.688 9.904 0.397 578 H GLU 19 H GLU 19 3.468 11.452 -4.350 579 HA GLU 19 HA GLU 19 5.160 13.470 -3.035 580 1HB GLU 19 2HB GLU 19 5.925 12.667 -5.224 581 2HB GLU 19 1HB GLU 19 4.388 13.118 -5.946 582 1HG GLU 19 2HG GLU 19 6.090 14.743 -6.481 583 2HG GLU 19 1HG GLU 19 4.848 15.467 -5.459 584 H ALA 20 H ALA 20 3.948 14.956 -1.935 585 HA ALA 20 HA ALA 20 1.781 16.250 -3.401 586 1HB ALA 20 1HB ALA 20 1.109 14.307 -1.702 587 2HB ALA 20 2HB ALA 20 0.115 15.742 -1.957 588 3HB ALA 20 3HB ALA 20 1.196 15.652 -0.566 589 H VAL 21 H VAL 21 1.280 18.314 -2.735 590 HA VAL 21 HA VAL 21 3.320 20.004 -2.016 591 HB VAL 21 HB VAL 21 0.418 20.562 -1.419 592 1HG1 VAL 21 1HG1 VAL 21 0.956 22.852 -1.666 593 2HG1 VAL 21 2HG1 VAL 21 2.557 22.482 -2.306 594 3HG1 VAL 21 3HG1 VAL 21 2.191 22.166 -0.610 595 1HG2 VAL 21 1HG2 VAL 21 0.589 21.606 -3.800 596 2HG2 VAL 21 2HG2 VAL 21 0.274 19.879 -3.614 597 3HG2 VAL 21 3HG2 VAL 21 1.899 20.443 -4.009 598 H ASP 22 H ASP 22 0.999 18.442 0.127 599 HA ASP 22 HA ASP 22 2.729 19.094 2.382 600 1HB ASP 22 2HB ASP 22 0.917 19.940 3.778 601 2HB ASP 22 1HB ASP 22 1.093 20.929 2.334 602 H ALA 23 H ALA 23 1.850 18.006 4.457 603 HA ALA 23 HA ALA 23 1.822 15.259 4.041 604 1HB ALA 23 1HB ALA 23 1.361 15.043 6.409 605 2HB ALA 23 2HB ALA 23 0.845 16.728 6.483 606 3HB ALA 23 3HB ALA 23 2.528 16.336 6.136 607 H ALA 24 H ALA 24 -0.874 17.462 4.657 608 HA ALA 24 HA ALA 24 -2.867 15.476 4.861 609 1HB ALA 24 1HB ALA 24 -3.014 17.977 5.453 610 2HB ALA 24 2HB ALA 24 -4.438 17.211 4.748 611 3HB ALA 24 3HB ALA 24 -3.391 18.219 3.748 612 H THR 25 H THR 25 -1.893 17.504 2.082 613 HA THR 25 HA THR 25 -3.569 16.383 0.181 614 HB THR 25 HB THR 25 -1.871 17.135 -1.467 615 HG1 THR 25 1HG THR 25 0.098 17.490 -0.921 616 1HG2 THR 25 1HG2 THR 25 -2.517 19.024 0.757 617 2HG2 THR 25 2HG2 THR 25 -3.286 18.883 -0.824 618 3HG2 THR 25 3HG2 THR 25 -1.649 19.526 -0.695 619 H ALA 26 H ALA 26 -0.340 15.424 1.246 620 HA ALA 26 HA ALA 26 -0.011 13.223 -0.471 621 1HB ALA 26 1HB ALA 26 1.297 14.285 1.900 622 2HB ALA 26 2HB ALA 26 1.985 13.429 0.520 623 3HB ALA 26 3HB ALA 26 1.299 12.521 1.867 624 H GLU 27 H GLU 27 -1.192 13.393 2.905 625 HA GLU 27 HA GLU 27 -1.842 10.756 3.294 626 1HB GLU 27 2HB GLU 27 -1.947 12.442 5.061 627 2HB GLU 27 1HB GLU 27 -3.328 13.196 4.276 628 1HG GLU 27 2HG GLU 27 -4.641 11.168 4.638 629 2HG GLU 27 1HG GLU 27 -3.258 10.418 5.433 630 H LYS 28 H LYS 28 -3.881 13.325 1.909 631 HA LYS 28 HA LYS 28 -6.145 11.733 1.437 632 1HB LYS 28 2HB LYS 28 -5.162 14.181 -0.045 633 2HB LYS 28 1HB LYS 28 -6.766 13.479 -0.223 634 1HG LYS 28 2HG LYS 28 -5.609 14.651 2.296 635 2HG LYS 28 1HG LYS 28 -6.829 15.391 1.257 636 1HD LYS 28 2HD LYS 28 -7.147 12.770 2.719 637 2HD LYS 28 1HD LYS 28 -7.799 14.319 3.259 638 1HE LYS 28 2HE LYS 28 -8.481 12.903 0.685 639 2HE LYS 28 1HE LYS 28 -9.500 12.986 2.121 640 1HZ LYS 28 1HZ LYS 28 -9.136 14.914 0.036 641 2HZ LYS 28 2HZ LYS 28 -8.928 15.591 1.571 642 3HZ LYS 28 3HZ LYS 28 -10.368 14.792 1.189 643 H VAL 29 H VAL 29 -3.326 12.476 -0.553 644 HA VAL 29 HA VAL 29 -4.105 11.183 -2.894 645 HB VAL 29 HB VAL 29 -1.341 11.516 -1.713 646 1HG1 VAL 29 1HG1 VAL 29 -0.789 11.308 -4.278 647 2HG1 VAL 29 2HG1 VAL 29 -2.260 10.336 -4.281 648 3HG1 VAL 29 3HG1 VAL 29 -0.903 9.881 -3.248 649 1HG2 VAL 29 1HG2 VAL 29 -1.266 13.567 -2.633 650 2HG2 VAL 29 2HG2 VAL 29 -3.024 13.455 -2.578 651 3HG2 VAL 29 3HG2 VAL 29 -2.163 13.069 -4.067 652 H VAL 30 H VAL 30 -2.547 9.940 0.015 653 HA VAL 30 HA VAL 30 -2.164 7.304 -0.968 654 HB VAL 30 HB VAL 30 -2.539 8.132 1.914 655 1HG1 VAL 30 1HG1 VAL 30 -0.762 5.913 1.041 656 2HG1 VAL 30 2HG1 VAL 30 -2.505 5.639 1.029 657 3HG1 VAL 30 3HG1 VAL 30 -1.694 6.096 2.526 658 1HG2 VAL 30 1HG2 VAL 30 -0.645 9.174 0.271 659 2HG2 VAL 30 2HG2 VAL 30 0.189 7.751 0.899 660 3HG2 VAL 30 3HG2 VAL 30 -0.451 8.961 2.012 661 H LYS 31 H LYS 31 -4.693 8.834 1.051 662 HA LYS 31 HA LYS 31 -6.341 6.677 1.473 663 1HB LYS 31 2HB LYS 31 -7.149 9.518 0.854 664 2HB LYS 31 1HB LYS 31 -8.248 8.288 1.461 665 1HG LYS 31 2HG LYS 31 -6.747 8.071 3.450 666 2HG LYS 31 1HG LYS 31 -5.887 9.497 2.864 667 1HD LYS 31 2HD LYS 31 -7.450 10.353 4.386 668 2HD LYS 31 1HD LYS 31 -8.189 10.620 2.803 669 1HE LYS 31 2HE LYS 31 -9.835 9.744 4.357 670 2HE LYS 31 1HE LYS 31 -9.505 8.567 3.086 671 1HZ LYS 31 1HZ LYS 31 -9.513 7.991 5.691 672 2HZ LYS 31 2HZ LYS 31 -7.868 8.309 5.461 673 3HZ LYS 31 3HZ LYS 31 -8.635 7.118 4.537 674 H GLN 32 H GLN 32 -6.320 8.871 -1.302 675 HA GLN 32 HA GLN 32 -8.373 7.608 -2.751 676 1HB GLN 32 2HB GLN 32 -7.203 9.888 -3.154 677 2HB GLN 32 1HB GLN 32 -6.021 8.953 -4.062 678 1HG GLN 32 2HG GLN 32 -7.741 9.943 -5.496 679 2HG GLN 32 1HG GLN 32 -7.738 8.180 -5.572 680 1HE2 GLN 32 1HE2 GLN 32 -9.526 10.987 -4.800 681 2HE2 GLN 32 2HE2 GLN 32 -10.988 10.205 -4.311 682 H PHE 33 H PHE 33 -4.933 7.072 -2.512 683 HA PHE 33 HA PHE 33 -4.480 5.273 -4.573 684 1HB PHE 33 2HB PHE 33 -2.794 6.355 -3.021 685 2HB PHE 33 1HB PHE 33 -3.243 5.161 -1.812 686 HD1 PHE 33 1HD PHE 33 -1.996 5.425 -5.301 687 HD2 PHE 33 2HD PHE 33 -2.063 3.184 -1.672 688 HE1 PHE 33 1HE PHE 33 -0.310 3.876 -6.212 689 HE2 PHE 33 2HE PHE 33 -0.380 1.644 -2.592 690 HZ PHE 33 HZ PHE 33 0.494 1.999 -4.868 691 H PHE 34 H PHE 34 -5.122 4.484 -1.176 692 HA PHE 34 HA PHE 34 -5.638 1.717 -1.670 693 1HB PHE 34 2HB PHE 34 -6.320 3.398 0.745 694 2HB PHE 34 1HB PHE 34 -6.351 1.634 0.678 695 HD1 PHE 34 1HD PHE 34 -3.959 1.009 -0.828 696 HD2 PHE 34 2HD PHE 34 -4.588 3.948 2.177 697 HE1 PHE 34 1HE PHE 34 -1.563 0.963 -0.294 698 HE2 PHE 34 2HE PHE 34 -2.194 3.906 2.726 699 HZ PHE 34 HZ PHE 34 -0.682 2.412 1.473 700 H ASN 35 H ASN 35 -7.660 4.546 -1.229 701 HA ASN 35 HA ASN 35 -10.180 3.451 -1.045 702 1HB ASN 35 2HB ASN 35 -9.608 5.880 -0.970 703 2HB ASN 35 1HB ASN 35 -9.375 5.851 -2.714 704 1HD2 ASN 35 1HD2 ASN 35 -11.326 7.007 -0.606 705 2HD2 ASN 35 2HD2 ASN 35 -12.868 6.796 -1.363 706 H ASP 36 H ASP 36 -8.153 3.951 -3.836 707 HA ASP 36 HA ASP 36 -10.114 2.739 -5.628 708 1HB ASP 36 2HB ASP 36 -7.471 4.079 -6.199 709 2HB ASP 36 1HB ASP 36 -8.539 3.417 -7.433 710 H ASN 37 H ASN 37 -7.161 1.871 -3.996 711 HA ASN 37 HA ASN 37 -6.548 -0.305 -5.800 712 1HB ASN 37 2HB ASN 37 -5.492 0.351 -3.040 713 2HB ASN 37 1HB ASN 37 -4.930 -1.002 -4.010 714 1HD2 ASN 37 1HD2 ASN 37 -3.707 1.582 -2.965 715 2HD2 ASN 37 2HD2 ASN 37 -2.933 2.251 -4.359 716 H GLY 38 H GLY 38 -7.900 0.083 -2.587 717 1HA GLY 38 2HA GLY 38 -8.437 -1.935 -1.249 718 2HA GLY 38 1HA GLY 38 -9.857 -1.180 -1.939 719 H VAL 39 H VAL 39 -11.228 -2.513 -2.817 720 HA VAL 39 HA VAL 39 -10.291 -5.176 -3.652 721 HB VAL 39 HB VAL 39 -13.083 -4.318 -2.984 722 1HG1 VAL 39 1HG1 VAL 39 -13.473 -6.299 -3.999 723 2HG1 VAL 39 2HG1 VAL 39 -12.982 -6.956 -2.438 724 3HG1 VAL 39 3HG1 VAL 39 -11.820 -6.867 -3.761 725 1HG2 VAL 39 1HG2 VAL 39 -11.135 -5.729 -1.170 726 2HG2 VAL 39 2HG2 VAL 39 -12.771 -5.199 -0.775 727 3HG2 VAL 39 3HG2 VAL 39 -11.507 -4.008 -1.084 728 H ASP 40 H ASP 40 -11.018 -2.394 -5.286 729 HA ASP 40 HA ASP 40 -12.257 -3.935 -7.460 730 1HB ASP 40 2HB ASP 40 -12.785 -1.048 -6.738 731 2HB ASP 40 1HB ASP 40 -13.429 -1.872 -8.155 732 H GLY 41 H GLY 41 -9.403 -2.864 -6.661 733 1HA GLY 41 2HA GLY 41 -8.767 -1.171 -8.915 734 2HA GLY 41 1HA GLY 41 -7.636 -1.790 -7.723 735 H GLU 42 H GLU 42 -6.692 -1.776 -10.167 736 HA GLU 42 HA GLU 42 -7.183 -4.379 -11.412 737 1HB GLU 42 2HB GLU 42 -5.506 -2.041 -12.342 738 2HB GLU 42 1HB GLU 42 -5.778 -3.520 -13.253 739 1HG GLU 42 2HG GLU 42 -7.887 -1.532 -12.438 740 2HG GLU 42 1HG GLU 42 -7.190 -1.709 -14.048 741 H TRP 43 H TRP 43 -6.140 -5.893 -10.213 742 HA TRP 43 HA TRP 43 -3.432 -5.422 -9.287 743 1HB TRP 43 2HB TRP 43 -5.323 -7.745 -8.915 744 2HB TRP 43 1HB TRP 43 -3.719 -7.641 -8.195 745 HD1 TRP 43 HD TRP 43 -6.780 -5.229 -8.265 746 HE1 TRP 43 1HE TRP 43 -7.141 -4.367 -5.870 747 HE3 TRP 43 3HE TRP 43 -2.982 -7.724 -5.955 748 HZ2 TRP 43 2HZ TRP 43 -5.945 -4.708 -3.317 749 HZ3 TRP 43 3HZ TRP 43 -2.651 -7.411 -3.546 750 HH2 TRP 43 HH TRP 43 -4.107 -5.934 -2.250 751 H THR 44 H THR 44 -1.796 -5.778 -10.638 752 HA THR 44 HA THR 44 -1.947 -8.073 -12.477 753 HB THR 44 HB THR 44 -0.128 -6.935 -13.736 754 HG1 THR 44 1HG THR 44 0.302 -4.747 -13.181 755 1HG2 THR 44 1HG2 THR 44 -1.476 -4.848 -14.396 756 2HG2 THR 44 2HG2 THR 44 -2.708 -5.494 -13.314 757 3HG2 THR 44 3HG2 THR 44 -2.167 -6.441 -14.700 758 H TYR 45 H TYR 45 -0.467 -9.710 -12.272 759 HA TYR 45 HA TYR 45 1.494 -9.410 -10.093 760 1HB TYR 45 2HB TYR 45 -0.311 -11.102 -9.761 761 2HB TYR 45 1HB TYR 45 0.298 -11.970 -11.165 762 HD1 TYR 45 1HD TYR 45 2.341 -10.323 -8.542 763 HD2 TYR 45 2HD TYR 45 0.955 -14.002 -10.168 764 HE1 TYR 45 1HE TYR 45 3.903 -11.546 -7.090 765 HE2 TYR 45 2HE TYR 45 2.514 -15.235 -8.720 766 HH TYR 45 HH TYR 45 3.750 -14.950 -6.680 767 H ASP 46 H ASP 46 3.586 -10.180 -10.327 768 HA ASP 46 HA ASP 46 4.407 -10.857 -13.073 769 1HB ASP 46 2HB ASP 46 5.087 -8.563 -12.514 770 2HB ASP 46 1HB ASP 46 5.910 -9.150 -11.072 771 H ASP 47 H ASP 47 4.234 -13.079 -12.434 772 HA ASP 47 HA ASP 47 5.363 -14.360 -10.297 773 1HB ASP 47 2HB ASP 47 5.296 -15.349 -13.156 774 2HB ASP 47 1HB ASP 47 5.522 -16.359 -11.731 775 H ALA 48 H ALA 48 7.003 -13.189 -13.180 776 HA ALA 48 HA ALA 48 9.407 -14.489 -13.065 777 1HB ALA 48 1HB ALA 48 10.124 -12.976 -14.571 778 2HB ALA 48 2HB ALA 48 9.622 -11.600 -13.590 779 3HB ALA 48 3HB ALA 48 8.435 -12.471 -14.559 780 H THR 49 H THR 49 8.314 -11.869 -10.992 781 HA THR 49 HA THR 49 10.770 -12.219 -9.404 782 HB THR 49 HB THR 49 10.678 -9.817 -8.830 783 HG1 THR 49 1HG THR 49 9.164 -8.538 -9.605 784 1HG2 THR 49 1HG2 THR 49 11.431 -10.873 -11.356 785 2HG2 THR 49 2HG2 THR 49 12.098 -9.493 -10.484 786 3HG2 THR 49 3HG2 THR 49 10.746 -9.264 -11.593 787 H LYS 50 H LYS 50 7.822 -13.154 -9.287 788 HA LYS 50 HA LYS 50 6.178 -13.456 -7.716 789 1HB LYS 50 2HB LYS 50 8.556 -13.187 -5.870 790 2HB LYS 50 1HB LYS 50 6.992 -13.856 -5.422 791 1HG LYS 50 2HG LYS 50 7.681 -15.325 -7.641 792 2HG LYS 50 1HG LYS 50 9.222 -15.093 -6.811 793 1HD LYS 50 2HD LYS 50 8.226 -15.943 -4.738 794 2HD LYS 50 1HD LYS 50 6.693 -16.177 -5.582 795 1HE LYS 50 2HE LYS 50 9.302 -17.541 -6.241 796 2HE LYS 50 1HE LYS 50 7.944 -18.273 -5.387 797 1HZ LYS 50 1HZ LYS 50 6.617 -17.659 -7.464 798 2HZ LYS 50 2HZ LYS 50 7.680 -18.969 -7.570 799 3HZ LYS 50 3HZ LYS 50 8.117 -17.472 -8.221 800 H THR 51 H THR 51 6.553 -10.763 -8.596 801 HA THR 51 HA THR 51 5.851 -9.265 -6.165 802 HB THR 51 HB THR 51 7.085 -8.276 -8.740 803 HG1 THR 51 1HG THR 51 8.478 -9.398 -7.254 804 1HG2 THR 51 1HG2 THR 51 7.305 -6.400 -6.629 805 2HG2 THR 51 2HG2 THR 51 5.604 -6.811 -6.839 806 3HG2 THR 51 3HG2 THR 51 6.541 -6.209 -8.206 807 H PHE 52 H PHE 52 4.041 -8.037 -6.122 808 HA PHE 52 HA PHE 52 2.186 -8.348 -8.386 809 1HB PHE 52 2HB PHE 52 1.558 -7.674 -5.503 810 2HB PHE 52 1HB PHE 52 0.385 -7.973 -6.782 811 HD1 PHE 52 1HD PHE 52 -0.429 -10.114 -7.136 812 HD2 PHE 52 2HD PHE 52 3.162 -9.588 -4.916 813 HE1 PHE 52 1HE PHE 52 -0.438 -12.507 -6.561 814 HE2 PHE 52 2HE PHE 52 3.160 -11.979 -4.339 815 HZ PHE 52 HZ PHE 52 1.360 -13.441 -5.162 816 H THR 53 H THR 53 1.534 -6.587 -9.482 817 HA THR 53 HA THR 53 2.276 -3.968 -8.379 818 HB THR 53 HB THR 53 2.044 -3.264 -10.876 819 HG1 THR 53 1HG THR 53 1.275 -5.456 -11.413 820 1HG2 THR 53 1HG2 THR 53 4.183 -2.954 -10.313 821 2HG2 THR 53 2HG2 THR 53 4.435 -4.438 -11.235 822 3HG2 THR 53 3HG2 THR 53 4.300 -4.506 -9.478 823 H VAL 54 H VAL 54 0.744 -2.648 -7.834 824 HA VAL 54 HA VAL 54 -1.985 -3.099 -8.847 825 HB VAL 54 HB VAL 54 -1.127 -1.619 -6.344 826 1HG1 VAL 54 1HG1 VAL 54 -3.594 -1.798 -5.820 827 2HG1 VAL 54 2HG1 VAL 54 -3.831 -2.247 -7.510 828 3HG1 VAL 54 3HG1 VAL 54 -3.157 -0.670 -7.103 829 1HG2 VAL 54 1HG2 VAL 54 -0.812 -3.737 -5.617 830 2HG2 VAL 54 2HG2 VAL 54 -1.842 -4.436 -6.867 831 3HG2 VAL 54 3HG2 VAL 54 -2.567 -3.696 -5.439 832 H THR 55 H THR 55 -2.289 -1.808 -10.571 833 HA THR 55 HA THR 55 -1.030 0.819 -10.601 834 HB THR 55 HB THR 55 -2.660 -0.421 -12.808 835 HG1 THR 55 1HG THR 55 0.105 -0.673 -12.231 836 1HG2 THR 55 1HG2 THR 55 -1.031 0.952 -14.185 837 2HG2 THR 55 2HG2 THR 55 -0.637 1.788 -12.680 838 3HG2 THR 55 3HG2 THR 55 -2.286 1.834 -13.313 839 H GLU 56 H GLU 56 -2.070 2.406 -9.644 840 HA GLU 56 HA GLU 56 -4.706 2.553 -8.906 841 1HB GLU 56 2HB GLU 56 -3.038 4.105 -8.079 842 2HB GLU 56 1HB GLU 56 -2.836 4.796 -9.683 843 1HG GLU 56 2HG GLU 56 -4.155 6.249 -8.262 844 2HG GLU 56 1HG GLU 56 -5.112 5.653 -9.617 Start of MODEL 37 1 1H MET 1 1HT MET 1 5.299 -19.983 1.860 2 2H MET 1 2HT MET 1 4.190 -18.733 1.607 3 3H MET 1 3HT MET 1 5.261 -18.659 2.913 4 HA MET 1 HA MET 1 7.140 -18.546 1.375 5 1HB MET 1 2HB MET 1 5.436 -19.637 -0.396 6 2HB MET 1 1HB MET 1 5.253 -17.949 -0.853 7 1HG MET 1 2HG MET 1 7.928 -19.296 -0.657 8 2HG MET 1 1HG MET 1 6.963 -19.301 -2.128 9 1HE MET 1 1HE MET 1 5.999 -17.365 -3.132 10 2HE MET 1 2HE MET 1 7.051 -16.032 -3.608 11 3HE MET 1 3HE MET 1 5.954 -15.845 -2.239 12 H GLN 2 H GLN 2 7.931 -16.462 0.791 13 HA GLN 2 HA GLN 2 6.261 -14.283 1.791 14 1HB GLN 2 2HB GLN 2 8.501 -14.532 2.765 15 2HB GLN 2 1HB GLN 2 9.220 -14.366 1.169 16 1HG GLN 2 2HG GLN 2 9.411 -12.299 2.397 17 2HG GLN 2 1HG GLN 2 8.341 -12.090 1.012 18 1HE2 GLN 2 1HE2 GLN 2 6.628 -10.918 1.433 19 2HE2 GLN 2 2HE2 GLN 2 5.799 -10.819 2.945 20 H TYR 3 H TYR 3 5.551 -12.640 0.531 21 HA TYR 3 HA TYR 3 6.463 -12.599 -2.271 22 1HB TYR 3 2HB TYR 3 3.649 -12.226 -1.230 23 2HB TYR 3 1HB TYR 3 4.142 -11.910 -2.890 24 HD1 TYR 3 1HD TYR 3 4.521 -13.705 -4.434 25 HD2 TYR 3 2HD TYR 3 3.598 -14.534 -0.365 26 HE1 TYR 3 1HE TYR 3 4.107 -16.057 -5.016 27 HE2 TYR 3 2HE TYR 3 3.184 -16.890 -0.935 28 HH TYR 3 HH TYR 3 4.016 -18.492 -2.867 29 H LYS 4 H LYS 4 6.824 -10.632 -3.195 30 HA LYS 4 HA LYS 4 6.655 -8.323 -1.381 31 1HB LYS 4 2HB LYS 4 8.916 -8.848 -2.129 32 2HB LYS 4 1HB LYS 4 8.405 -8.763 -3.809 33 1HG LYS 4 2HG LYS 4 7.866 -6.384 -3.503 34 2HG LYS 4 1HG LYS 4 8.445 -6.483 -1.841 35 1HD LYS 4 2HD LYS 4 10.138 -7.115 -4.254 36 2HD LYS 4 1HD LYS 4 10.090 -5.535 -3.475 37 1HE LYS 4 2HE LYS 4 11.987 -6.660 -2.609 38 2HE LYS 4 1HE LYS 4 10.763 -6.684 -1.341 39 1HZ LYS 4 1HZ LYS 4 10.641 -8.979 -3.060 40 2HZ LYS 4 2HZ LYS 4 10.698 -8.896 -1.371 41 3HZ LYS 4 3HZ LYS 4 12.130 -8.836 -2.268 42 H VAL 5 H VAL 5 4.894 -7.144 -1.740 43 HA VAL 5 HA VAL 5 3.791 -7.006 -4.438 44 HB VAL 5 HB VAL 5 2.634 -5.986 -1.839 45 1HG1 VAL 5 1HG1 VAL 5 0.770 -6.473 -4.001 46 2HG1 VAL 5 2HG1 VAL 5 1.973 -5.261 -4.436 47 3HG1 VAL 5 3HG1 VAL 5 0.980 -5.040 -2.995 48 1HG2 VAL 5 1HG2 VAL 5 2.355 -8.194 -1.484 49 2HG2 VAL 5 2HG2 VAL 5 2.562 -8.601 -3.188 50 3HG2 VAL 5 3HG2 VAL 5 1.010 -7.996 -2.608 51 H ILE 6 H ILE 6 3.770 -5.233 -5.640 52 HA ILE 6 HA ILE 6 5.099 -2.835 -4.575 53 HB ILE 6 HB ILE 6 4.947 -3.873 -7.410 54 1HG1 ILE 6 2HG1 ILE 6 7.275 -3.540 -5.508 55 2HG1 ILE 6 1HG1 ILE 6 6.531 -5.066 -5.969 56 1HG2 ILE 6 1HG2 ILE 6 4.992 -1.255 -6.827 57 2HG2 ILE 6 2HG2 ILE 6 5.800 -1.957 -8.228 58 3HG2 ILE 6 3HG2 ILE 6 6.719 -1.607 -6.764 59 1HD1 ILE 6 1HD1 ILE 6 8.184 -3.212 -7.643 60 2HD1 ILE 6 2HD1 ILE 6 7.169 -4.467 -8.356 61 3HD1 ILE 6 3HD1 ILE 6 8.476 -4.908 -7.257 62 H LEU 7 H LEU 7 4.001 -0.980 -4.524 63 HA LEU 7 HA LEU 7 1.347 -0.924 -5.792 64 1HB LEU 7 2HB LEU 7 2.220 0.891 -3.560 65 2HB LEU 7 1HB LEU 7 0.594 0.441 -4.036 66 HG LEU 7 HG LEU 7 2.593 -1.326 -2.644 67 1HD1 LEU 7 1HD1 LEU 7 1.411 0.489 -1.335 68 2HD1 LEU 7 2HD1 LEU 7 1.209 -1.161 -0.746 69 3HD1 LEU 7 3HD1 LEU 7 -0.086 -0.386 -1.661 70 1HD2 LEU 7 1HD2 LEU 7 1.110 -2.453 -4.356 71 2HD2 LEU 7 2HD2 LEU 7 -0.253 -2.004 -3.333 72 3HD2 LEU 7 3HD2 LEU 7 1.007 -3.070 -2.708 73 H ASN 8 H ASN 8 1.614 0.030 -7.729 74 HA ASN 8 HA ASN 8 3.246 2.469 -7.888 75 1HB ASN 8 2HB ASN 8 2.243 0.682 -10.115 76 2HB ASN 8 1HB ASN 8 3.280 2.091 -10.319 77 1HD2 ASN 8 1HD2 ASN 8 5.349 1.668 -10.502 78 2HD2 ASN 8 2HD2 ASN 8 6.165 0.283 -9.873 79 H GLY 9 H GLY 9 2.003 4.173 -7.419 80 1HA GLY 9 2HA GLY 9 -0.526 4.463 -8.922 81 2HA GLY 9 1HA GLY 9 -0.293 5.093 -7.300 82 H LYS 10 H LYS 10 -1.067 6.491 -9.721 83 HA LYS 10 HA LYS 10 0.831 7.941 -11.010 84 1HB LYS 10 2HB LYS 10 -1.790 8.973 -9.919 85 2HB LYS 10 1HB LYS 10 -0.847 9.746 -11.185 86 1HG LYS 10 2HG LYS 10 -1.233 7.944 -12.686 87 2HG LYS 10 1HG LYS 10 -1.939 6.953 -11.408 88 1HD LYS 10 2HD LYS 10 -3.658 7.914 -12.871 89 2HD LYS 10 1HD LYS 10 -3.807 8.502 -11.213 90 1HE LYS 10 2HE LYS 10 -4.115 10.314 -12.805 91 2HE LYS 10 1HE LYS 10 -2.658 10.565 -11.845 92 1HZ LYS 10 1HZ LYS 10 -2.733 10.766 -14.497 93 2HZ LYS 10 2HZ LYS 10 -2.285 9.142 -14.345 94 3HZ LYS 10 3HZ LYS 10 -1.338 10.349 -13.634 95 H THR 11 H THR 11 -0.688 8.946 -7.939 96 HA THR 11 HA THR 11 1.434 10.900 -7.528 97 HB THR 11 HB THR 11 -0.155 11.484 -5.547 98 HG1 THR 11 1HG THR 11 -2.364 10.909 -6.217 99 1HG2 THR 11 1HG2 THR 11 -1.263 11.954 -8.296 100 2HG2 THR 11 2HG2 THR 11 0.137 12.817 -7.663 101 3HG2 THR 11 3HG2 THR 11 -1.427 12.969 -6.863 102 H LEU 12 H LEU 12 0.829 7.736 -6.687 103 HA LEU 12 HA LEU 12 2.597 7.993 -4.368 104 1HB LEU 12 2HB LEU 12 0.336 7.804 -3.497 105 2HB LEU 12 1HB LEU 12 0.063 6.359 -4.455 106 HG LEU 12 HG LEU 12 1.592 5.101 -3.133 107 1HD1 LEU 12 1HD1 LEU 12 3.399 6.176 -2.411 108 2HD1 LEU 12 2HD1 LEU 12 2.411 6.702 -1.047 109 3HD1 LEU 12 3HD1 LEU 12 2.591 7.735 -2.461 110 1HD2 LEU 12 1HD2 LEU 12 -0.763 6.044 -2.192 111 2HD2 LEU 12 2HD2 LEU 12 0.337 6.545 -0.907 112 3HD2 LEU 12 3HD2 LEU 12 0.232 4.844 -1.365 113 H LYS 13 H LYS 13 4.136 6.456 -4.195 114 HA LYS 13 HA LYS 13 3.934 4.014 -5.781 115 1HB LYS 13 2HB LYS 13 6.258 5.932 -6.047 116 2HB LYS 13 1HB LYS 13 6.156 4.340 -6.783 117 1HG LYS 13 2HG LYS 13 4.244 5.070 -8.112 118 2HG LYS 13 1HG LYS 13 4.335 6.667 -7.366 119 1HD LYS 13 2HD LYS 13 5.394 6.682 -9.558 120 2HD LYS 13 1HD LYS 13 6.589 6.961 -8.289 121 1HE LYS 13 2HE LYS 13 7.437 5.411 -9.971 122 2HE LYS 13 1HE LYS 13 7.268 4.620 -8.404 123 1HZ LYS 13 1HZ LYS 13 4.997 4.444 -10.222 124 2HZ LYS 13 2HZ LYS 13 5.615 3.292 -9.150 125 3HZ LYS 13 3HZ LYS 13 6.374 3.552 -10.639 126 H GLY 14 H GLY 14 5.188 2.293 -4.974 127 1HA GLY 14 2HA GLY 14 7.252 2.572 -3.086 128 2HA GLY 14 1HA GLY 14 5.741 2.365 -2.219 129 H GLU 15 H GLU 15 7.094 0.486 -1.461 130 HA GLU 15 HA GLU 15 6.368 -1.861 -3.056 131 1HB GLU 15 2HB GLU 15 9.070 -1.520 -1.737 132 2HB GLU 15 1HB GLU 15 8.515 -2.935 -2.617 133 1HG GLU 15 2HG GLU 15 9.756 -1.960 -4.240 134 2HG GLU 15 1HG GLU 15 8.215 -1.167 -4.557 135 H THR 16 H THR 16 6.028 -3.770 -1.817 136 HA THR 16 HA THR 16 6.213 -3.597 1.066 137 HB THR 16 HB THR 16 4.113 -2.629 1.013 138 HG1 THR 16 1HG THR 16 3.449 -5.353 0.869 139 1HG2 THR 16 1HG2 THR 16 3.702 -2.689 -1.373 140 2HG2 THR 16 2HG2 THR 16 2.288 -3.245 -0.478 141 3HG2 THR 16 3HG2 THR 16 3.338 -4.410 -1.278 142 H THR 17 H THR 17 5.378 -5.716 2.090 143 HA THR 17 HA THR 17 5.617 -7.985 0.263 144 HB THR 17 HB THR 17 7.298 -9.068 1.723 145 HG1 THR 17 1HG THR 17 6.764 -7.657 3.565 146 1HG2 THR 17 1HG2 THR 17 8.062 -6.429 0.517 147 2HG2 THR 17 2HG2 THR 17 8.221 -8.039 -0.187 148 3HG2 THR 17 3HG2 THR 17 9.232 -7.570 1.180 149 H THR 18 H THR 18 4.114 -9.426 0.664 150 HA THR 18 HA THR 18 2.942 -9.629 3.379 151 HB THR 18 HB THR 18 1.370 -8.925 1.579 152 HG1 THR 18 1HG THR 18 0.703 -10.243 3.382 153 1HG2 THR 18 1HG2 THR 18 2.324 -10.102 -0.325 154 2HG2 THR 18 2HG2 THR 18 0.627 -10.522 -0.091 155 3HG2 THR 18 3HG2 THR 18 1.891 -11.646 0.408 156 H GLU 19 H GLU 19 2.709 -11.669 4.296 157 HA GLU 19 HA GLU 19 4.260 -13.820 3.011 158 1HB GLU 19 2HB GLU 19 5.091 -13.140 5.199 159 2HB GLU 19 1HB GLU 19 3.502 -13.382 5.909 160 1HG GLU 19 2HG GLU 19 4.969 -15.213 6.471 161 2HG GLU 19 1HG GLU 19 3.656 -15.775 5.438 162 H ALA 20 H ALA 20 3.018 -15.293 1.979 163 HA ALA 20 HA ALA 20 0.668 -16.328 3.360 164 1HB ALA 20 1HB ALA 20 -0.888 -15.620 1.915 165 2HB ALA 20 2HB ALA 20 0.157 -15.861 0.516 166 3HB ALA 20 3HB ALA 20 0.307 -14.396 1.486 167 H VAL 21 H VAL 21 -0.008 -18.352 2.693 168 HA VAL 21 HA VAL 21 1.907 -20.230 2.108 169 HB VAL 21 HB VAL 21 -1.011 -20.517 1.392 170 1HG1 VAL 21 1HG1 VAL 21 0.987 -22.606 2.241 171 2HG1 VAL 21 2HG1 VAL 21 0.514 -22.292 0.572 172 3HG1 VAL 21 3HG1 VAL 21 -0.680 -22.871 1.732 173 1HG2 VAL 21 1HG2 VAL 21 -0.973 -21.609 3.774 174 2HG2 VAL 21 2HG2 VAL 21 -1.177 -19.869 3.587 175 3HG2 VAL 21 3HG2 VAL 21 0.400 -20.531 4.016 176 H ASP 22 H ASP 22 0.113 -18.270 -0.143 177 HA ASP 22 HA ASP 22 1.834 -19.130 -2.287 178 1HB ASP 22 2HB ASP 22 -0.063 -19.765 -3.813 179 2HB ASP 22 1HB ASP 22 0.266 -20.910 -2.516 180 H ALA 23 H ALA 23 1.077 -18.062 -4.441 181 HA ALA 23 HA ALA 23 1.149 -15.301 -4.074 182 1HB ALA 23 1HB ALA 23 1.851 -15.610 -6.172 183 2HB ALA 23 2HB ALA 23 0.145 -15.606 -6.620 184 3HB ALA 23 3HB ALA 23 0.976 -17.134 -6.326 185 H ALA 24 H ALA 24 -1.581 -17.434 -4.776 186 HA ALA 24 HA ALA 24 -3.509 -15.399 -5.108 187 1HB ALA 24 1HB ALA 24 -5.066 -17.079 -5.201 188 2HB ALA 24 2HB ALA 24 -4.318 -17.999 -3.896 189 3HB ALA 24 3HB ALA 24 -3.608 -18.022 -5.511 190 H THR 25 H THR 25 -2.836 -17.462 -2.259 191 HA THR 25 HA THR 25 -4.475 -16.182 -0.448 192 HB THR 25 HB THR 25 -2.797 -16.931 1.279 193 HG1 THR 25 1HG THR 25 -1.404 -17.650 -1.057 194 1HG2 THR 25 1HG2 THR 25 -4.469 -18.505 0.828 195 2HG2 THR 25 2HG2 THR 25 -2.944 -19.384 0.708 196 3HG2 THR 25 3HG2 THR 25 -3.792 -18.886 -0.755 197 H ALA 26 H ALA 26 -1.158 -15.428 -1.414 198 HA ALA 26 HA ALA 26 -0.745 -13.235 0.283 199 1HB ALA 26 1HB ALA 26 1.224 -13.817 -0.700 200 2HB ALA 26 2HB ALA 26 0.755 -12.536 -1.816 201 3HB ALA 26 3HB ALA 26 0.464 -14.223 -2.238 202 H GLU 27 H GLU 27 -1.953 -13.386 -3.077 203 HA GLU 27 HA GLU 27 -2.372 -10.708 -3.528 204 1HB GLU 27 2HB GLU 27 -2.735 -12.730 -5.096 205 2HB GLU 27 1HB GLU 27 -4.363 -12.761 -4.429 206 1HG GLU 27 2HG GLU 27 -4.469 -11.548 -6.446 207 2HG GLU 27 1HG GLU 27 -4.607 -10.382 -5.131 208 H LYS 28 H LYS 28 -4.601 -13.056 -2.052 209 HA LYS 28 HA LYS 28 -6.681 -11.202 -1.571 210 1HB LYS 28 2HB LYS 28 -6.026 -13.934 -0.523 211 2HB LYS 28 1HB LYS 28 -7.341 -13.007 0.186 212 1HG LYS 28 2HG LYS 28 -7.983 -14.635 -1.623 213 2HG LYS 28 1HG LYS 28 -8.549 -12.977 -1.839 214 1HD LYS 28 2HD LYS 28 -6.698 -12.544 -3.379 215 2HD LYS 28 1HD LYS 28 -6.125 -14.200 -3.157 216 1HE LYS 28 2HE LYS 28 -8.229 -15.048 -4.080 217 2HE LYS 28 1HE LYS 28 -8.796 -13.394 -4.304 218 1HZ LYS 28 1HZ LYS 28 -6.256 -14.226 -5.529 219 2HZ LYS 28 2HZ LYS 28 -7.350 -13.039 -6.031 220 3HZ LYS 28 3HZ LYS 28 -7.713 -14.672 -6.265 221 H VAL 29 H VAL 29 -4.108 -12.495 0.550 222 HA VAL 29 HA VAL 29 -4.772 -11.169 2.882 223 HB VAL 29 HB VAL 29 -1.967 -11.560 1.804 224 1HG1 VAL 29 1HG1 VAL 29 -1.210 -10.659 3.685 225 2HG1 VAL 29 2HG1 VAL 29 -2.188 -11.764 4.650 226 3HG1 VAL 29 3HG1 VAL 29 -2.864 -10.226 4.114 227 1HG2 VAL 29 1HG2 VAL 29 -2.089 -13.734 2.292 228 2HG2 VAL 29 2HG2 VAL 29 -3.836 -13.513 2.366 229 3HG2 VAL 29 3HG2 VAL 29 -2.874 -13.424 3.840 230 H VAL 30 H VAL 30 -3.057 -10.026 0.046 231 HA VAL 30 HA VAL 30 -2.467 -7.419 0.992 232 HB VAL 30 HB VAL 30 -2.924 -8.338 -1.857 233 1HG1 VAL 30 1HG1 VAL 30 -1.792 -6.381 -2.572 234 2HG1 VAL 30 2HG1 VAL 30 -1.328 -5.965 -0.921 235 3HG1 VAL 30 3HG1 VAL 30 -3.017 -5.856 -1.418 236 1HG2 VAL 30 1HG2 VAL 30 -0.191 -7.887 -0.855 237 2HG2 VAL 30 2HG2 VAL 30 -0.813 -9.126 -1.946 238 3HG2 VAL 30 3HG2 VAL 30 -1.025 -9.299 -0.205 239 H LYS 31 H LYS 31 -5.165 -8.800 -0.907 240 HA LYS 31 HA LYS 31 -6.674 -6.567 -1.407 241 1HB LYS 31 2HB LYS 31 -7.717 -9.257 -0.504 242 2HB LYS 31 1HB LYS 31 -8.690 -7.999 -1.240 243 1HG LYS 31 2HG LYS 31 -6.432 -9.486 -2.551 244 2HG LYS 31 1HG LYS 31 -8.151 -9.726 -2.840 245 1HD LYS 31 2HD LYS 31 -8.067 -7.154 -3.395 246 2HD LYS 31 1HD LYS 31 -6.365 -7.511 -3.684 247 1HE LYS 31 2HE LYS 31 -8.702 -8.893 -4.988 248 2HE LYS 31 1HE LYS 31 -7.667 -7.679 -5.741 249 1HZ LYS 31 1HZ LYS 31 -5.902 -9.128 -5.854 250 2HZ LYS 31 2HZ LYS 31 -7.204 -10.167 -6.151 251 3HZ LYS 31 3HZ LYS 31 -6.484 -10.131 -4.620 252 H GLN 32 H GLN 32 -6.798 -8.602 1.489 253 HA GLN 32 HA GLN 32 -8.646 -7.095 2.946 254 1HB GLN 32 2HB GLN 32 -7.924 -9.374 3.573 255 2HB GLN 32 1HB GLN 32 -6.341 -8.742 4.009 256 1HG GLN 32 2HG GLN 32 -7.632 -9.076 5.994 257 2HG GLN 32 1HG GLN 32 -7.398 -7.350 5.739 258 1HE2 GLN 32 1HE2 GLN 32 -9.671 -8.589 3.568 259 2HE2 GLN 32 2HE2 GLN 32 -11.096 -8.139 4.425 260 H PHE 33 H PHE 33 -5.150 -6.828 2.665 261 HA PHE 33 HA PHE 33 -4.579 -4.987 4.648 262 1HB PHE 33 2HB PHE 33 -2.968 -6.174 3.063 263 2HB PHE 33 1HB PHE 33 -3.356 -4.929 1.882 264 HD1 PHE 33 1HD PHE 33 -2.536 -4.986 5.513 265 HD2 PHE 33 2HD PHE 33 -1.702 -3.346 1.665 266 HE1 PHE 33 1HE PHE 33 -0.836 -3.508 6.502 267 HE2 PHE 33 2HE PHE 33 0.011 -1.886 2.663 268 HZ PHE 33 HZ PHE 33 0.442 -1.978 5.088 269 H PHE 34 H PHE 34 -4.993 -4.147 1.251 270 HA PHE 34 HA PHE 34 -5.437 -1.394 1.723 271 1HB PHE 34 2HB PHE 34 -6.190 -3.035 -0.702 272 2HB PHE 34 1HB PHE 34 -6.063 -1.275 -0.638 273 HD1 PHE 34 1HD PHE 34 -3.693 -0.720 0.792 274 HD2 PHE 34 2HD PHE 34 -4.441 -3.886 -1.944 275 HE1 PHE 34 1HE PHE 34 -1.285 -0.885 0.337 276 HE2 PHE 34 2HE PHE 34 -2.030 -4.054 -2.414 277 HZ PHE 34 HZ PHE 34 -0.457 -2.554 -1.257 278 H ASN 35 H ASN 35 -7.597 -4.132 1.379 279 HA ASN 35 HA ASN 35 -10.054 -2.857 1.167 280 1HB ASN 35 2HB ASN 35 -9.766 -5.293 1.024 281 2HB ASN 35 1HB ASN 35 -9.355 -5.352 2.734 282 1HD2 ASN 35 1HD2 ASN 35 -11.619 -6.273 0.831 283 2HD2 ASN 35 2HD2 ASN 35 -13.043 -5.949 1.754 284 H ASP 36 H ASP 36 -8.046 -3.499 3.958 285 HA ASP 36 HA ASP 36 -9.948 -2.251 5.781 286 1HB ASP 36 2HB ASP 36 -7.270 -3.552 6.319 287 2HB ASP 36 1HB ASP 36 -8.375 -2.955 7.552 288 H ASN 37 H ASN 37 -7.010 -1.457 4.102 289 HA ASN 37 HA ASN 37 -6.350 0.765 5.838 290 1HB ASN 37 2HB ASN 37 -5.266 0.047 3.104 291 2HB ASN 37 1HB ASN 37 -4.601 1.273 4.176 292 1HD2 ASN 37 1HD2 ASN 37 -3.585 -1.310 2.998 293 2HD2 ASN 37 2HD2 ASN 37 -2.939 -2.154 4.358 294 H GLY 38 H GLY 38 -7.619 0.291 2.598 295 1HA GLY 38 2HA GLY 38 -7.928 2.389 1.226 296 2HA GLY 38 1HA GLY 38 -9.397 1.555 1.671 297 H VAL 39 H VAL 39 -10.936 2.698 2.593 298 HA VAL 39 HA VAL 39 -10.293 5.425 3.493 299 HB VAL 39 HB VAL 39 -12.943 4.332 2.613 300 1HG1 VAL 39 1HG1 VAL 39 -11.987 6.964 3.535 301 2HG1 VAL 39 2HG1 VAL 39 -13.591 6.239 3.634 302 3HG1 VAL 39 3HG1 VAL 39 -13.052 6.982 2.129 303 1HG2 VAL 39 1HG2 VAL 39 -12.552 5.380 0.458 304 2HG2 VAL 39 2HG2 VAL 39 -11.293 4.192 0.798 305 3HG2 VAL 39 3HG2 VAL 39 -10.955 5.913 0.986 306 H ASP 40 H ASP 40 -10.852 2.555 5.007 307 HA ASP 40 HA ASP 40 -12.369 3.892 7.135 308 1HB ASP 40 2HB ASP 40 -12.574 0.992 6.301 309 2HB ASP 40 1HB ASP 40 -13.385 1.710 7.688 310 H GLY 41 H GLY 41 -9.397 2.905 6.378 311 1HA GLY 41 2HA GLY 41 -8.781 1.350 8.740 312 2HA GLY 41 1HA GLY 41 -7.645 1.876 7.510 313 H GLU 42 H GLU 42 -6.682 2.035 9.914 314 HA GLU 42 HA GLU 42 -6.965 4.856 10.724 315 1HB GLU 42 2HB GLU 42 -6.192 2.473 12.420 316 2HB GLU 42 1HB GLU 42 -6.141 4.142 12.965 317 1HG GLU 42 2HG GLU 42 -8.135 3.402 13.831 318 2HG GLU 42 1HG GLU 42 -8.645 4.179 12.335 319 H TRP 43 H TRP 43 -5.249 6.074 10.281 320 HA TRP 43 HA TRP 43 -2.613 4.757 10.068 321 1HB TRP 43 2HB TRP 43 -3.401 7.275 8.610 322 2HB TRP 43 1HB TRP 43 -1.975 6.286 8.354 323 HD1 TRP 43 HD TRP 43 -4.491 3.733 8.429 324 HE1 TRP 43 1HE TRP 43 -5.438 3.237 6.080 325 HE3 TRP 43 3HE TRP 43 -2.805 7.880 5.988 326 HZ2 TRP 43 2HZ TRP 43 -5.454 4.452 3.532 327 HZ3 TRP 43 3HZ TRP 43 -3.313 8.138 3.601 328 HH2 TRP 43 HH TRP 43 -4.608 6.456 2.394 329 H THR 44 H THR 44 -0.840 5.793 10.960 330 HA THR 44 HA THR 44 -1.435 8.165 12.607 331 HB THR 44 HB THR 44 0.434 7.419 14.073 332 HG1 THR 44 1HG THR 44 0.364 5.115 12.427 333 1HG2 THR 44 1HG2 THR 44 -1.761 5.399 13.700 334 2HG2 THR 44 2HG2 THR 44 -1.766 6.790 14.784 335 3HG2 THR 44 3HG2 THR 44 -0.658 5.448 15.076 336 H TYR 45 H TYR 45 -0.003 9.902 12.520 337 HA TYR 45 HA TYR 45 1.930 9.772 10.305 338 1HB TYR 45 2HB TYR 45 0.103 11.367 9.972 339 2HB TYR 45 1HB TYR 45 0.511 12.166 11.486 340 HD1 TYR 45 1HD TYR 45 2.818 10.954 8.830 341 HD2 TYR 45 2HD TYR 45 1.122 14.319 10.807 342 HE1 TYR 45 1HE TYR 45 4.364 12.436 7.622 343 HE2 TYR 45 2HE TYR 45 2.663 15.810 9.603 344 HH TYR 45 HH TYR 45 4.846 15.682 8.477 345 H ASP 46 H ASP 46 4.004 10.491 10.529 346 HA ASP 46 HA ASP 46 4.854 11.280 13.238 347 1HB ASP 46 2HB ASP 46 5.547 8.971 12.767 348 2HB ASP 46 1HB ASP 46 6.347 9.503 11.291 349 H ASP 47 H ASP 47 4.644 13.471 12.504 350 HA ASP 47 HA ASP 47 5.739 14.657 10.296 351 1HB ASP 47 2HB ASP 47 5.660 15.787 13.100 352 2HB ASP 47 1HB ASP 47 5.884 16.732 11.631 353 H ALA 48 H ALA 48 7.407 13.690 13.238 354 HA ALA 48 HA ALA 48 9.800 15.005 13.006 355 1HB ALA 48 1HB ALA 48 10.650 12.594 13.906 356 2HB ALA 48 2HB ALA 48 8.919 12.491 14.233 357 3HB ALA 48 3HB ALA 48 9.866 13.816 14.907 358 H THR 49 H THR 49 8.671 12.289 11.098 359 HA THR 49 HA THR 49 11.151 12.477 9.521 360 HB THR 49 HB THR 49 10.990 10.050 9.079 361 HG1 THR 49 1HG THR 49 8.696 9.942 9.586 362 1HG2 THR 49 1HG2 THR 49 12.354 9.706 10.777 363 2HG2 THR 49 2HG2 THR 49 11.003 9.734 11.908 364 3HG2 THR 49 3HG2 THR 49 11.830 11.232 11.486 365 H LYS 50 H LYS 50 8.160 13.410 9.339 366 HA LYS 50 HA LYS 50 6.578 13.680 7.698 367 1HB LYS 50 2HB LYS 50 9.098 13.363 6.069 368 2HB LYS 50 1HB LYS 50 7.549 13.758 5.341 369 1HG LYS 50 2HG LYS 50 8.862 15.410 7.484 370 2HG LYS 50 1HG LYS 50 9.043 15.706 5.753 371 1HD LYS 50 2HD LYS 50 6.557 15.897 5.604 372 2HD LYS 50 1HD LYS 50 6.496 15.791 7.364 373 1HE LYS 50 2HE LYS 50 6.403 18.112 6.614 374 2HE LYS 50 1HE LYS 50 7.867 17.797 7.543 375 1HZ LYS 50 1HZ LYS 50 9.086 18.458 5.836 376 2HZ LYS 50 2HZ LYS 50 7.680 18.860 4.988 377 3HZ LYS 50 3HZ LYS 50 8.365 17.324 4.807 378 H THR 51 H THR 51 6.958 10.983 8.703 379 HA THR 51 HA THR 51 6.134 9.464 6.320 380 HB THR 51 HB THR 51 7.638 8.472 8.745 381 HG1 THR 51 1HG THR 51 9.260 8.077 7.144 382 1HG2 THR 51 1HG2 THR 51 7.006 6.422 8.242 383 2HG2 THR 51 2HG2 THR 51 7.744 6.606 6.650 384 3HG2 THR 51 3HG2 THR 51 6.044 7.014 6.888 385 H PHE 52 H PHE 52 4.387 8.168 6.433 386 HA PHE 52 HA PHE 52 2.739 8.355 8.871 387 1HB PHE 52 2HB PHE 52 1.812 7.804 6.042 388 2HB PHE 52 1HB PHE 52 0.793 8.088 7.444 389 HD1 PHE 52 1HD PHE 52 -0.245 10.117 7.477 390 HD2 PHE 52 2HD PHE 52 3.630 9.838 5.737 391 HE1 PHE 52 1HE PHE 52 -0.326 12.514 6.916 392 HE2 PHE 52 2HE PHE 52 3.558 12.232 5.187 393 HZ PHE 52 HZ PHE 52 1.581 13.572 5.776 394 H THR 53 H THR 53 1.704 6.461 9.635 395 HA THR 53 HA THR 53 2.612 3.961 8.389 396 HB THR 53 HB THR 53 2.372 3.042 10.814 397 HG1 THR 53 1HG THR 53 2.811 5.797 11.286 398 1HG2 THR 53 1HG2 THR 53 4.630 4.424 9.554 399 2HG2 THR 53 2HG2 THR 53 4.510 2.797 10.227 400 3HG2 THR 53 3HG2 THR 53 4.751 4.182 11.297 401 H VAL 54 H VAL 54 1.117 2.556 7.853 402 HA VAL 54 HA VAL 54 -1.639 3.009 8.794 403 HB VAL 54 HB VAL 54 -0.702 1.616 6.270 404 1HG1 VAL 54 1HG1 VAL 54 -3.363 1.925 7.559 405 2HG1 VAL 54 2HG1 VAL 54 -2.697 0.573 6.647 406 3HG1 VAL 54 3HG1 VAL 54 -3.271 2.009 5.800 407 1HG2 VAL 54 1HG2 VAL 54 -0.375 3.812 5.736 408 2HG2 VAL 54 2HG2 VAL 54 -1.602 4.387 6.866 409 3HG2 VAL 54 3HG2 VAL 54 -2.085 3.660 5.334 410 H THR 55 H THR 55 -2.190 1.633 10.371 411 HA THR 55 HA THR 55 -1.006 -1.054 10.348 412 HB THR 55 HB THR 55 -2.354 0.381 12.635 413 HG1 THR 55 1HG THR 55 -0.525 1.424 12.627 414 1HG2 THR 55 1HG2 THR 55 -2.423 -1.982 13.004 415 2HG2 THR 55 2HG2 THR 55 -1.163 -1.286 14.023 416 3HG2 THR 55 3HG2 THR 55 -0.729 -2.147 12.546 417 H GLU 56 H GLU 56 -2.212 -2.687 9.685 418 HA GLU 56 HA GLU 56 -4.981 -2.445 9.153 419 1HB GLU 56 2HB GLU 56 -3.580 -3.953 7.865 420 2HB GLU 56 1HB GLU 56 -3.199 -4.882 9.308 421 1HG GLU 56 2HG GLU 56 -5.512 -5.593 9.490 422 2HG GLU 56 1HG GLU 56 -5.939 -4.617 8.085 423 1H MET 1 1HT MET 1 5.809 19.901 -1.691 424 2H MET 1 2HT MET 1 4.667 18.677 -1.453 425 3H MET 1 3HT MET 1 5.753 18.578 -2.746 426 HA MET 1 HA MET 1 7.606 18.420 -1.181 427 1HB MET 1 2HB MET 1 5.905 19.551 0.567 428 2HB MET 1 1HB MET 1 5.676 17.869 1.019 429 1HG MET 1 2HG MET 1 8.386 19.151 0.861 430 2HG MET 1 1HG MET 1 7.397 19.180 2.319 431 1HE MET 1 1HE MET 1 6.374 17.268 3.309 432 2HE MET 1 2HE MET 1 7.387 15.909 3.798 433 3HE MET 1 3HE MET 1 6.306 15.749 2.415 434 H GLN 2 H GLN 2 8.339 16.316 -0.587 435 HA GLN 2 HA GLN 2 6.632 14.179 -1.611 436 1HB GLN 2 2HB GLN 2 8.891 14.373 -2.552 437 2HB GLN 2 1HB GLN 2 9.582 14.191 -0.947 438 1HG GLN 2 2HG GLN 2 9.740 12.119 -2.171 439 2HG GLN 2 1HG GLN 2 8.645 11.937 -0.803 440 1HE2 GLN 2 1HE2 GLN 2 6.910 10.806 -1.248 441 2HE2 GLN 2 2HE2 GLN 2 6.102 10.726 -2.772 442 H TYR 3 H TYR 3 5.864 12.553 -0.361 443 HA TYR 3 HA TYR 3 6.736 12.491 2.454 444 1HB TYR 3 2HB TYR 3 3.927 12.186 1.374 445 2HB TYR 3 1HB TYR 3 4.389 11.858 3.039 446 HD1 TYR 3 1HD TYR 3 4.790 13.644 4.591 447 HD2 TYR 3 2HD TYR 3 3.946 14.495 0.509 448 HE1 TYR 3 1HE TYR 3 4.425 16.006 5.165 449 HE2 TYR 3 2HE TYR 3 3.580 16.860 1.072 450 HH TYR 3 HH TYR 3 4.424 18.442 3.015 451 H LYS 4 H LYS 4 7.034 10.517 3.381 452 HA LYS 4 HA LYS 4 6.835 8.211 1.566 453 1HB LYS 4 2HB LYS 4 9.098 8.682 2.345 454 2HB LYS 4 1HB LYS 4 8.562 8.610 4.018 455 1HG LYS 4 2HG LYS 4 7.968 6.245 3.704 456 2HG LYS 4 1HG LYS 4 8.573 6.329 2.049 457 1HD LYS 4 2HD LYS 4 10.247 6.920 4.488 458 2HD LYS 4 1HD LYS 4 10.171 5.341 3.707 459 1HE LYS 4 2HE LYS 4 12.106 6.419 2.869 460 2HE LYS 4 1HE LYS 4 10.902 6.474 1.584 461 1HZ LYS 4 1HZ LYS 4 10.812 8.770 3.301 462 2HZ LYS 4 2HZ LYS 4 10.891 8.686 1.612 463 3HZ LYS 4 3HZ LYS 4 12.308 8.592 2.530 464 H VAL 5 H VAL 5 5.041 7.077 1.900 465 HA VAL 5 HA VAL 5 3.897 6.964 4.581 466 HB VAL 5 HB VAL 5 2.751 5.973 1.967 467 1HG1 VAL 5 1HG1 VAL 5 0.870 6.506 4.101 468 2HG1 VAL 5 2HG1 VAL 5 2.038 5.265 4.554 469 3HG1 VAL 5 3HG1 VAL 5 1.060 5.067 3.100 470 1HG2 VAL 5 1HG2 VAL 5 2.532 8.187 1.609 471 2HG2 VAL 5 2HG2 VAL 5 2.725 8.589 3.315 472 3HG2 VAL 5 3HG2 VAL 5 1.167 8.023 2.712 473 H ILE 6 H ILE 6 3.816 5.194 5.782 474 HA ILE 6 HA ILE 6 5.101 2.763 4.736 475 HB ILE 6 HB ILE 6 4.935 3.806 7.568 476 1HG1 ILE 6 2HG1 ILE 6 7.280 3.415 5.700 477 2HG1 ILE 6 1HG1 ILE 6 6.569 4.960 6.150 478 1HG2 ILE 6 1HG2 ILE 6 4.924 1.187 6.988 479 2HG2 ILE 6 2HG2 ILE 6 5.728 1.870 8.398 480 3HG2 ILE 6 3HG2 ILE 6 6.659 1.497 6.948 481 1HD1 ILE 6 1HD1 ILE 6 8.150 3.067 7.848 482 2HD1 ILE 6 2HD1 ILE 6 7.157 4.346 8.547 483 3HD1 ILE 6 3HD1 ILE 6 8.489 4.754 7.466 484 H LEU 7 H LEU 7 3.959 0.936 4.670 485 HA LEU 7 HA LEU 7 1.287 0.944 5.900 486 1HB LEU 7 2HB LEU 7 2.147 -0.891 3.681 487 2HB LEU 7 1HB LEU 7 0.526 -0.401 4.134 488 HG LEU 7 HG LEU 7 2.587 1.316 2.769 489 1HD1 LEU 7 1HD1 LEU 7 1.379 -0.470 1.443 490 2HD1 LEU 7 2HD1 LEU 7 1.226 1.184 0.852 491 3HD1 LEU 7 3HD1 LEU 7 -0.099 0.439 1.748 492 1HD2 LEU 7 1HD2 LEU 7 1.107 2.480 4.461 493 2HD2 LEU 7 2HD2 LEU 7 -0.252 2.063 3.418 494 3HD2 LEU 7 3HD2 LEU 7 1.043 3.097 2.811 495 H ASN 8 H ASN 8 1.503 -0.014 7.841 496 HA ASN 8 HA ASN 8 3.074 -2.493 8.021 497 1HB ASN 8 2HB ASN 8 2.082 -0.682 10.235 498 2HB ASN 8 1HB ASN 8 3.082 -2.116 10.454 499 1HD2 ASN 8 1HD2 ASN 8 5.157 -1.743 10.666 500 2HD2 ASN 8 2HD2 ASN 8 6.017 -0.378 10.048 501 H GLY 9 H GLY 9 1.796 -4.165 7.535 502 1HA GLY 9 2HA GLY 9 -0.759 -4.395 9.003 503 2HA GLY 9 1HA GLY 9 -0.519 -5.031 7.383 504 H LYS 10 H LYS 10 -1.362 -6.409 9.794 505 HA LYS 10 HA LYS 10 0.482 -7.904 11.109 506 1HB LYS 10 2HB LYS 10 -2.148 -8.873 9.979 507 2HB LYS 10 1HB LYS 10 -1.242 -9.668 11.260 508 1HG LYS 10 2HG LYS 10 -1.605 -7.857 12.755 509 2HG LYS 10 1HG LYS 10 -2.269 -6.849 11.468 510 1HD LYS 10 2HD LYS 10 -4.031 -7.766 12.905 511 2HD LYS 10 1HD LYS 10 -4.170 -8.352 11.246 512 1HE LYS 10 2HE LYS 10 -4.545 -10.156 12.833 513 2HE LYS 10 1HE LYS 10 -3.081 -10.442 11.893 514 1HZ LYS 10 1HZ LYS 10 -3.198 -10.641 14.544 515 2HZ LYS 10 2HZ LYS 10 -2.708 -9.029 14.400 516 3HZ LYS 10 3HZ LYS 10 -1.782 -10.260 13.701 517 H THR 11 H THR 11 -1.016 -8.872 8.016 518 HA THR 11 HA THR 11 1.062 -10.878 7.636 519 HB THR 11 HB THR 11 -0.513 -11.423 5.632 520 HG1 THR 11 1HG THR 11 -2.717 -10.794 6.271 521 1HG2 THR 11 1HG2 THR 11 -1.671 -11.866 8.365 522 2HG2 THR 11 2HG2 THR 11 -0.282 -12.764 7.751 523 3HG2 THR 11 3HG2 THR 11 -1.837 -12.878 6.930 524 H LEU 12 H LEU 12 0.546 -7.701 6.786 525 HA LEU 12 HA LEU 12 2.340 -8.000 4.492 526 1HB LEU 12 2HB LEU 12 0.096 -7.756 3.590 527 2HB LEU 12 1HB LEU 12 -0.154 -6.306 4.543 528 HG LEU 12 HG LEU 12 1.424 -5.084 3.243 529 1HD1 LEU 12 1HD1 LEU 12 3.214 -6.205 2.547 530 2HD1 LEU 12 2HD1 LEU 12 2.232 -6.707 1.170 531 3HD1 LEU 12 3HD1 LEU 12 2.367 -7.743 2.585 532 1HD2 LEU 12 1HD2 LEU 12 -0.939 -5.970 2.268 533 2HD2 LEU 12 2HD2 LEU 12 0.166 -6.498 1.000 534 3HD2 LEU 12 3HD2 LEU 12 0.096 -4.795 1.457 535 H LYS 13 H LYS 13 3.919 -6.502 4.341 536 HA LYS 13 HA LYS 13 3.754 -4.056 5.925 537 1HB LYS 13 2HB LYS 13 6.027 -6.029 6.223 538 2HB LYS 13 1HB LYS 13 5.953 -4.434 6.959 539 1HG LYS 13 2HG LYS 13 4.005 -5.118 8.259 540 2HG LYS 13 1HG LYS 13 4.067 -6.716 7.515 541 1HD LYS 13 2HD LYS 13 5.094 -6.756 9.722 542 2HD LYS 13 1HD LYS 13 6.299 -7.066 8.469 543 1HE LYS 13 2HE LYS 13 7.161 -5.536 10.163 544 2HE LYS 13 1HE LYS 13 7.034 -4.742 8.595 545 1HZ LYS 13 1HZ LYS 13 4.742 -4.509 10.381 546 2HZ LYS 13 2HZ LYS 13 5.403 -3.373 9.317 547 3HZ LYS 13 3HZ LYS 13 6.134 -3.652 10.818 548 H GLY 14 H GLY 14 5.059 -2.365 5.137 549 1HA GLY 14 2HA GLY 14 7.142 -2.694 3.279 550 2HA GLY 14 1HA GLY 14 5.650 -2.450 2.389 551 H GLU 15 H GLU 15 7.059 -0.605 1.650 552 HA GLU 15 HA GLU 15 6.369 1.758 3.235 553 1HB GLU 15 2HB GLU 15 9.079 1.352 1.953 554 2HB GLU 15 1HB GLU 15 8.545 2.780 2.827 555 1HG GLU 15 2HG GLU 15 9.740 1.776 4.466 556 2HG GLU 15 1HG GLU 15 8.176 1.020 4.762 557 H THR 16 H THR 16 6.092 3.676 1.992 558 HA THR 16 HA THR 16 6.314 3.497 -0.889 559 HB THR 16 HB THR 16 4.190 2.581 -0.866 560 HG1 THR 16 1HG THR 16 3.590 5.320 -0.729 561 1HG2 THR 16 1HG2 THR 16 3.746 2.650 1.515 562 2HG2 THR 16 2HG2 THR 16 2.359 3.241 0.600 563 3HG2 THR 16 3HG2 THR 16 3.426 4.381 1.416 564 H THR 17 H THR 17 5.544 5.635 -1.923 565 HA THR 17 HA THR 17 5.812 7.899 -0.092 566 HB THR 17 HB THR 17 7.540 8.940 -1.528 567 HG1 THR 17 1HG THR 17 6.997 7.542 -3.377 568 1HG2 THR 17 1HG2 THR 17 8.223 6.283 -0.312 569 2HG2 THR 17 2HG2 THR 17 8.410 7.888 0.395 570 3HG2 THR 17 3HG2 THR 17 9.429 7.396 -0.958 571 H THR 18 H THR 18 4.351 9.375 -0.513 572 HA THR 18 HA THR 18 3.223 9.607 -3.246 573 HB THR 18 HB THR 18 1.609 8.941 -1.468 574 HG1 THR 18 1HG THR 18 0.998 10.276 -3.279 575 1HG2 THR 18 1HG2 THR 18 2.564 10.095 0.448 576 2HG2 THR 18 2HG2 THR 18 0.881 10.556 0.192 577 3HG2 THR 18 3HG2 THR 18 2.178 11.649 -0.289 578 H GLU 19 H GLU 19 3.053 11.651 -4.167 579 HA GLU 19 HA GLU 19 4.636 13.765 -2.858 580 1HB GLU 19 2HB GLU 19 5.482 13.065 -5.035 581 2HB GLU 19 1HB GLU 19 3.910 13.345 -5.767 582 1HG GLU 19 2HG GLU 19 5.429 15.139 -6.308 583 2HG GLU 19 1HG GLU 19 4.115 15.732 -5.293 584 H ALA 20 H ALA 20 3.416 15.269 -1.844 585 HA ALA 20 HA ALA 20 1.112 16.359 -3.258 586 1HB ALA 20 1HB ALA 20 -0.481 15.689 -1.835 587 2HB ALA 20 2HB ALA 20 0.549 15.905 -0.421 588 3HB ALA 20 3HB ALA 20 0.678 14.437 -1.390 589 H VAL 21 H VAL 21 0.475 18.400 -2.599 590 HA VAL 21 HA VAL 21 2.427 20.231 -1.987 591 HB VAL 21 HB VAL 21 -0.493 20.588 -1.313 592 1HG1 VAL 21 1HG1 VAL 21 1.568 22.628 -2.133 593 2HG1 VAL 21 2HG1 VAL 21 1.063 22.325 -0.471 594 3HG1 VAL 21 3HG1 VAL 21 -0.101 22.933 -1.648 595 1HG2 VAL 21 1HG2 VAL 21 -0.395 21.680 -3.694 596 2HG2 VAL 21 2HG2 VAL 21 -0.643 19.943 -3.510 597 3HG2 VAL 21 3HG2 VAL 21 0.954 20.567 -3.918 598 H ASP 22 H ASP 22 0.555 18.315 0.238 599 HA ASP 22 HA ASP 22 2.266 19.134 2.405 600 1HB ASP 22 2HB ASP 22 0.363 19.814 3.904 601 2HB ASP 22 1HB ASP 22 0.738 20.950 2.612 602 H ALA 23 H ALA 23 1.452 18.085 4.548 603 HA ALA 23 HA ALA 23 1.464 15.321 4.183 604 1HB ALA 23 1HB ALA 23 2.143 15.615 6.289 605 2HB ALA 23 2HB ALA 23 0.431 15.652 6.714 606 3HB ALA 23 3HB ALA 23 1.304 17.158 6.431 607 H ALA 24 H ALA 24 -1.224 17.520 4.846 608 HA ALA 24 HA ALA 24 -3.206 15.534 5.149 609 1HB ALA 24 1HB ALA 24 -4.724 17.251 5.223 610 2HB ALA 24 2HB ALA 24 -3.933 18.152 3.928 611 3HB ALA 24 3HB ALA 24 -3.246 18.158 5.552 612 H THR 25 H THR 25 -2.442 17.578 2.311 613 HA THR 25 HA THR 25 -4.088 16.338 0.477 614 HB THR 25 HB THR 25 -2.367 17.046 -1.226 615 HG1 THR 25 1HG THR 25 -0.990 17.732 1.130 616 1HG2 THR 25 1HG2 THR 25 -4.006 18.661 -0.799 617 2HG2 THR 25 2HG2 THR 25 -2.462 19.502 -0.657 618 3HG2 THR 25 3HG2 THR 25 -3.343 19.026 0.795 619 H ALA 26 H ALA 26 -0.804 15.505 1.490 620 HA ALA 26 HA ALA 26 -0.419 13.303 -0.201 621 1HB ALA 26 1HB ALA 26 1.549 13.837 0.809 622 2HB ALA 26 2HB ALA 26 1.034 12.566 1.918 623 3HB ALA 26 3HB ALA 26 0.777 14.261 2.336 624 H GLU 27 H GLU 27 -1.671 13.482 3.141 625 HA GLU 27 HA GLU 27 -2.161 10.815 3.585 626 1HB GLU 27 2HB GLU 27 -2.497 12.847 5.148 627 2HB GLU 27 1HB GLU 27 -4.113 12.918 4.458 628 1HG GLU 27 2HG GLU 27 -4.277 11.706 6.473 629 2HG GLU 27 1HG GLU 27 -4.425 10.545 5.157 630 H LYS 28 H LYS 28 -4.311 13.217 2.079 631 HA LYS 28 HA LYS 28 -6.428 11.414 1.569 632 1HB LYS 28 2HB LYS 28 -5.692 14.130 0.529 633 2HB LYS 28 1HB LYS 28 -7.020 13.234 -0.198 634 1HG LYS 28 2HG LYS 28 -7.648 14.878 1.601 635 2HG LYS 28 1HG LYS 28 -8.257 13.234 1.810 636 1HD LYS 28 2HD LYS 28 -6.439 12.756 3.375 637 2HD LYS 28 1HD LYS 28 -5.822 14.398 3.163 638 1HE LYS 28 2HE LYS 28 -7.919 15.298 4.055 639 2HE LYS 28 1HE LYS 28 -8.528 13.656 4.271 640 1HZ LYS 28 1HZ LYS 28 -5.986 14.427 5.532 641 2HZ LYS 28 2HZ LYS 28 -7.116 13.266 6.018 642 3HZ LYS 28 3HZ LYS 28 -7.442 14.910 6.247 643 H VAL 29 H VAL 29 -3.795 12.643 -0.516 644 HA VAL 29 HA VAL 29 -4.458 11.334 -2.859 645 HB VAL 29 HB VAL 29 -1.661 11.657 -1.739 646 1HG1 VAL 29 1HG1 VAL 29 -0.899 10.739 -3.611 647 2HG1 VAL 29 2HG1 VAL 29 -1.837 11.865 -4.588 648 3HG1 VAL 29 3HG1 VAL 29 -2.556 10.344 -4.063 649 1HG2 VAL 29 1HG2 VAL 29 -1.722 13.833 -2.229 650 2HG2 VAL 29 2HG2 VAL 29 -3.474 13.654 -2.328 651 3HG2 VAL 29 3HG2 VAL 29 -2.492 13.543 -3.789 652 H VAL 30 H VAL 30 -2.810 10.151 0.002 653 HA VAL 30 HA VAL 30 -2.271 7.530 -0.936 654 HB VAL 30 HB VAL 30 -2.746 8.461 1.907 655 1HG1 VAL 30 1HG1 VAL 30 -1.672 6.475 2.636 656 2HG1 VAL 30 2HG1 VAL 30 -1.196 6.048 0.993 657 3HG1 VAL 30 3HG1 VAL 30 -2.894 5.980 1.465 658 1HG2 VAL 30 1HG2 VAL 30 -0.011 7.943 0.943 659 2HG2 VAL 30 2HG2 VAL 30 -0.618 9.196 2.027 660 3HG2 VAL 30 3HG2 VAL 30 -0.801 9.374 0.280 661 H LYS 31 H LYS 31 -4.962 8.976 0.926 662 HA LYS 31 HA LYS 31 -6.531 6.778 1.403 663 1HB LYS 31 2HB LYS 31 -7.495 9.495 0.487 664 2HB LYS 31 1HB LYS 31 -8.510 8.261 1.207 665 1HG LYS 31 2HG LYS 31 -6.234 9.693 2.550 666 2HG LYS 31 1HG LYS 31 -7.952 9.975 2.815 667 1HD LYS 31 2HD LYS 31 -7.938 7.400 3.370 668 2HD LYS 31 1HD LYS 31 -6.232 7.718 3.685 669 1HE LYS 31 2HE LYS 31 -8.553 9.155 4.955 670 2HE LYS 31 1HE LYS 31 -7.560 7.917 5.722 671 1HZ LYS 31 1HZ LYS 31 -5.761 9.323 5.861 672 2HZ LYS 31 2HZ LYS 31 -7.040 10.392 6.139 673 3HZ LYS 31 3HZ LYS 31 -6.300 10.338 4.619 674 H GLN 32 H GLN 32 -6.565 8.817 -1.493 675 HA GLN 32 HA GLN 32 -8.428 7.356 -2.977 676 1HB GLN 32 2HB GLN 32 -7.642 9.616 -3.593 677 2HB GLN 32 1HB GLN 32 -6.070 8.947 -4.008 678 1HG GLN 32 2HG GLN 32 -7.324 9.310 -6.011 679 2HG GLN 32 1HG GLN 32 -7.135 7.580 -5.752 680 1HE2 GLN 32 1HE2 GLN 32 -9.408 8.874 -3.613 681 2HE2 GLN 32 2HE2 GLN 32 -10.832 8.458 -4.491 682 H PHE 33 H PHE 33 -4.944 7.003 -2.647 683 HA PHE 33 HA PHE 33 -4.389 5.148 -4.622 684 1HB PHE 33 2HB PHE 33 -2.774 6.296 -3.014 685 2HB PHE 33 1HB PHE 33 -3.207 5.062 -1.839 686 HD1 PHE 33 1HD PHE 33 -2.336 5.097 -5.459 687 HD2 PHE 33 2HD PHE 33 -1.597 3.439 -1.600 688 HE1 PHE 33 1HE PHE 33 -0.659 3.578 -6.423 689 HE2 PHE 33 2HE PHE 33 0.094 1.939 -2.572 690 HZ PHE 33 HZ PHE 33 0.562 2.018 -4.991 691 H PHE 34 H PHE 34 -4.873 4.320 -1.231 692 HA PHE 34 HA PHE 34 -5.376 1.578 -1.710 693 1HB PHE 34 2HB PHE 34 -6.124 3.237 0.705 694 2HB PHE 34 1HB PHE 34 -6.040 1.474 0.643 695 HD1 PHE 34 1HD PHE 34 -3.663 0.862 -0.754 696 HD2 PHE 34 2HD PHE 34 -4.372 4.045 1.972 697 HE1 PHE 34 1HE PHE 34 -1.259 0.970 -0.266 698 HE2 PHE 34 2HE PHE 34 -1.966 4.155 2.474 699 HZ PHE 34 HZ PHE 34 -0.413 2.616 1.341 700 H ASN 35 H ASN 35 -7.473 4.368 -1.396 701 HA ASN 35 HA ASN 35 -9.964 3.153 -1.220 702 1HB ASN 35 2HB ASN 35 -9.619 5.582 -1.072 703 2HB ASN 35 1HB ASN 35 -9.182 5.630 -2.776 704 1HD2 ASN 35 1HD2 ASN 35 -11.450 6.606 -0.905 705 2HD2 ASN 35 2HD2 ASN 35 -12.868 6.316 -1.849 706 H ASP 36 H ASP 36 -7.903 3.746 -3.982 707 HA ASP 36 HA ASP 36 -9.807 2.544 -5.832 708 1HB ASP 36 2HB ASP 36 -7.092 3.779 -6.330 709 2HB ASP 36 1HB ASP 36 -8.194 3.209 -7.580 710 H ASN 37 H ASN 37 -6.913 1.680 -4.111 711 HA ASN 37 HA ASN 37 -6.284 -0.559 -5.837 712 1HB ASN 37 2HB ASN 37 -5.221 0.134 -3.088 713 2HB ASN 37 1HB ASN 37 -4.572 -1.108 -4.153 714 1HD2 ASN 37 1HD2 ASN 37 -3.509 1.449 -2.959 715 2HD2 ASN 37 2HD2 ASN 37 -2.823 2.277 -4.310 716 H GLY 38 H GLY 38 -7.587 -0.053 -2.615 717 1HA GLY 38 2HA GLY 38 -7.966 -2.143 -1.248 718 2HA GLY 38 1HA GLY 38 -9.408 -1.273 -1.715 719 H VAL 39 H VAL 39 -10.961 -2.378 -2.659 720 HA VAL 39 HA VAL 39 -10.370 -5.121 -3.550 721 HB VAL 39 HB VAL 39 -13.006 -3.964 -2.706 722 1HG1 VAL 39 1HG1 VAL 39 -12.101 -6.617 -3.615 723 2HG1 VAL 39 2HG1 VAL 39 -13.686 -5.854 -3.737 724 3HG1 VAL 39 3HG1 VAL 39 -13.186 -6.611 -2.225 725 1HG2 VAL 39 1HG2 VAL 39 -12.670 -5.021 -0.546 726 2HG2 VAL 39 2HG2 VAL 39 -11.380 -3.864 -0.869 727 3HG2 VAL 39 3HG2 VAL 39 -11.080 -5.593 -1.053 728 H ASP 40 H ASP 40 -10.838 -2.239 -5.071 729 HA ASP 40 HA ASP 40 -12.358 -3.538 -7.222 730 1HB ASP 40 2HB ASP 40 -12.503 -0.634 -6.389 731 2HB ASP 40 1HB ASP 40 -13.313 -1.333 -7.787 732 H GLY 41 H GLY 41 -9.375 -2.624 -6.420 733 1HA GLY 41 2HA GLY 41 -8.686 -1.085 -8.775 734 2HA GLY 41 1HA GLY 41 -7.580 -1.639 -7.528 735 H GLU 42 H GLU 42 -6.590 -1.822 -9.918 736 HA GLU 42 HA GLU 42 -6.929 -4.635 -10.732 737 1HB GLU 42 2HB GLU 42 -6.074 -2.272 -12.418 738 2HB GLU 42 1HB GLU 42 -6.055 -3.943 -12.962 739 1HG GLU 42 2HG GLU 42 -8.019 -3.154 -13.856 740 2HG GLU 42 1HG GLU 42 -8.569 -3.917 -12.367 741 H TRP 43 H TRP 43 -5.249 -5.894 -10.266 742 HA TRP 43 HA TRP 43 -2.585 -4.640 -10.016 743 1HB TRP 43 2HB TRP 43 -3.454 -7.138 -8.569 744 2HB TRP 43 1HB TRP 43 -2.007 -6.185 -8.293 745 HD1 TRP 43 HD TRP 43 -4.462 -3.572 -8.402 746 HE1 TRP 43 1HE TRP 43 -5.428 -3.052 -6.068 747 HE3 TRP 43 3HE TRP 43 -2.911 -7.759 -5.939 748 HZ2 TRP 43 2HZ TRP 43 -5.508 -4.267 -3.520 749 HZ3 TRP 43 3HZ TRP 43 -3.458 -8.003 -3.559 750 HH2 TRP 43 HH TRP 43 -4.730 -6.289 -2.371 751 H THR 44 H THR 44 -0.826 -5.720 -10.883 752 HA THR 44 HA THR 44 -1.455 -8.077 -12.538 753 HB THR 44 HB THR 44 0.452 -7.377 -13.976 754 HG1 THR 44 1HG THR 44 0.416 -5.071 -12.332 755 1HG2 THR 44 1HG2 THR 44 -1.698 -5.304 -13.635 756 2HG2 THR 44 2HG2 THR 44 -1.721 -6.695 -14.718 757 3HG2 THR 44 3HG2 THR 44 -0.578 -5.381 -14.995 758 H TYR 45 H TYR 45 -0.066 -9.847 -12.432 759 HA TYR 45 HA TYR 45 1.838 -9.766 -10.188 760 1HB TYR 45 2HB TYR 45 -0.032 -11.315 -9.883 761 2HB TYR 45 1HB TYR 45 0.378 -12.125 -11.391 762 HD1 TYR 45 1HD TYR 45 2.675 -10.968 -8.702 763 HD2 TYR 45 2HD TYR 45 0.926 -14.291 -10.703 764 HE1 TYR 45 1HE TYR 45 4.167 -12.487 -7.473 765 HE2 TYR 45 2HE TYR 45 2.413 -15.818 -9.478 766 HH TYR 45 HH TYR 45 4.583 -15.742 -8.322 767 H ASP 46 H ASP 46 3.896 -10.535 -10.384 768 HA ASP 46 HA ASP 46 4.764 -11.346 -13.080 769 1HB ASP 46 2HB ASP 46 5.507 -9.052 -12.599 770 2HB ASP 46 1HB ASP 46 6.274 -9.605 -11.112 771 H ASP 47 H ASP 47 4.492 -13.530 -12.349 772 HA ASP 47 HA ASP 47 5.526 -14.742 -10.127 773 1HB ASP 47 2HB ASP 47 5.459 -15.871 -12.933 774 2HB ASP 47 1HB ASP 47 5.640 -16.819 -11.460 775 H ALA 48 H ALA 48 7.259 -13.816 -13.045 776 HA ALA 48 HA ALA 48 9.616 -15.189 -12.779 777 1HB ALA 48 1HB ALA 48 10.535 -12.799 -13.666 778 2HB ALA 48 2HB ALA 48 8.813 -12.654 -14.019 779 3HB ALA 48 3HB ALA 48 9.737 -14.002 -14.679 780 H THR 49 H THR 49 8.527 -12.445 -10.887 781 HA THR 49 HA THR 49 10.978 -12.695 -9.275 782 HB THR 49 HB THR 49 10.869 -10.263 -8.836 783 HG1 THR 49 1HG THR 49 8.588 -10.100 -9.374 784 1HG2 THR 49 1HG2 THR 49 12.267 -9.953 -10.513 785 2HG2 THR 49 2HG2 THR 49 10.930 -9.948 -11.664 786 3HG2 THR 49 3HG2 THR 49 11.715 -11.467 -11.230 787 H LYS 50 H LYS 50 7.964 -13.554 -9.136 788 HA LYS 50 HA LYS 50 6.351 -13.784 -7.517 789 1HB LYS 50 2HB LYS 50 8.856 -13.528 -5.853 790 2HB LYS 50 1HB LYS 50 7.287 -13.886 -5.147 791 1HG LYS 50 2HG LYS 50 8.590 -15.569 -7.271 792 2HG LYS 50 1HG LYS 50 8.739 -15.869 -5.538 793 1HD LYS 50 2HD LYS 50 6.247 -16.000 -5.425 794 2HD LYS 50 1HD LYS 50 6.214 -15.893 -7.185 795 1HE LYS 50 2HE LYS 50 6.054 -18.211 -6.436 796 2HE LYS 50 1HE LYS 50 7.538 -17.932 -7.345 797 1HZ LYS 50 1HZ LYS 50 8.717 -18.622 -5.621 798 2HZ LYS 50 2HZ LYS 50 7.290 -18.990 -4.793 799 3HZ LYS 50 3HZ LYS 50 8.008 -17.471 -4.603 800 H THR 51 H THR 51 6.811 -11.097 -8.518 801 HA THR 51 HA THR 51 5.991 -9.559 -6.145 802 HB THR 51 HB THR 51 7.552 -8.603 -8.547 803 HG1 THR 51 1HG THR 51 9.161 -8.248 -6.924 804 1HG2 THR 51 1HG2 THR 51 6.964 -6.538 -8.054 805 2HG2 THR 51 2HG2 THR 51 7.674 -6.741 -6.452 806 3HG2 THR 51 3HG2 THR 51 5.969 -7.108 -6.714 807 H PHE 52 H PHE 52 4.278 -8.221 -6.282 808 HA PHE 52 HA PHE 52 2.661 -8.368 -8.744 809 1HB PHE 52 2HB PHE 52 1.708 -7.794 -5.928 810 2HB PHE 52 1HB PHE 52 0.701 -8.053 -7.344 811 HD1 PHE 52 1HD PHE 52 -0.386 -10.058 -7.392 812 HD2 PHE 52 2HD PHE 52 3.470 -9.872 -5.598 813 HE1 PHE 52 1HE PHE 52 -0.531 -12.451 -6.833 814 HE2 PHE 52 2HE PHE 52 3.333 -12.263 -5.049 815 HZ PHE 52 HZ PHE 52 1.332 -13.556 -5.666 816 H THR 53 H THR 53 1.682 -6.450 -9.522 817 HA THR 53 HA THR 53 2.633 -3.972 -8.262 818 HB THR 53 HB THR 53 2.449 -3.049 -10.691 819 HG1 THR 53 1HG THR 53 2.828 -5.813 -11.157 820 1HG2 THR 53 1HG2 THR 53 4.655 -4.484 -9.398 821 2HG2 THR 53 2HG2 THR 53 4.586 -2.855 -10.074 822 3HG2 THR 53 3HG2 THR 53 4.807 -4.245 -11.139 823 H VAL 54 H VAL 54 1.165 -2.530 -7.748 824 HA VAL 54 HA VAL 54 -1.586 -2.916 -8.728 825 HB VAL 54 HB VAL 54 -0.653 -1.547 -6.189 826 1HG1 VAL 54 1HG1 VAL 54 -3.303 -1.792 -7.517 827 2HG1 VAL 54 2HG1 VAL 54 -2.616 -0.455 -6.595 828 3HG1 VAL 54 3HG1 VAL 54 -3.237 -1.877 -5.757 829 1HG2 VAL 54 1HG2 VAL 54 -0.387 -3.751 -5.651 830 2HG2 VAL 54 2HG2 VAL 54 -1.610 -4.296 -6.799 831 3HG2 VAL 54 3HG2 VAL 54 -2.098 -3.556 -5.274 832 H THR 55 H THR 55 -2.082 -1.528 -10.312 833 HA THR 55 HA THR 55 -0.833 1.128 -10.272 834 HB THR 55 HB THR 55 -2.184 -0.273 -12.579 835 HG1 THR 55 1HG THR 55 -0.382 -1.360 -12.543 836 1HG2 THR 55 1HG2 THR 55 -2.191 2.090 -12.948 837 2HG2 THR 55 2HG2 THR 55 -0.934 1.365 -13.949 838 3HG2 THR 55 3HG2 THR 55 -0.498 2.214 -12.465 839 H GLU 56 H GLU 56 -2.009 2.791 -9.625 840 HA GLU 56 HA GLU 56 -4.791 2.617 -9.133 841 1HB GLU 56 2HB GLU 56 -3.372 4.090 -7.824 842 2HB GLU 56 1HB GLU 56 -2.948 5.011 -9.260 843 1HG GLU 56 2HG GLU 56 -5.240 5.778 -9.476 844 2HG GLU 56 1HG GLU 56 -5.710 4.810 -8.079 Start of MODEL 38 1 1H MET 1 1HT MET 1 6.361 -19.986 2.369 2 2H MET 1 2HT MET 1 5.184 -19.252 1.401 3 3H MET 1 3HT MET 1 5.525 -18.628 2.935 4 HA MET 1 HA MET 1 7.907 -18.354 2.027 5 1HB MET 1 2HB MET 1 7.388 -19.624 -0.032 6 2HB MET 1 1HB MET 1 6.225 -18.390 -0.492 7 1HG MET 1 2HG MET 1 7.956 -16.762 -0.752 8 2HG MET 1 1HG MET 1 9.159 -17.870 -0.096 9 1HE MET 1 1HE MET 1 6.257 -18.840 -2.575 10 2HE MET 1 2HE MET 1 7.026 -18.538 -4.133 11 3HE MET 1 3HE MET 1 6.672 -17.193 -3.047 12 H GLN 2 H GLN 2 8.409 -16.141 1.081 13 HA GLN 2 HA GLN 2 6.359 -14.251 1.993 14 1HB GLN 2 2HB GLN 2 8.522 -14.090 3.137 15 2HB GLN 2 1HB GLN 2 9.333 -13.857 1.594 16 1HG GLN 2 2HG GLN 2 8.128 -11.760 1.271 17 2HG GLN 2 1HG GLN 2 7.305 -11.994 2.813 18 1HE2 GLN 2 1HE2 GLN 2 8.123 -10.821 4.380 19 2HE2 GLN 2 2HE2 GLN 2 9.779 -10.370 4.569 20 H TYR 3 H TYR 3 5.705 -12.536 0.695 21 HA TYR 3 HA TYR 3 6.711 -12.551 -2.067 22 1HB TYR 3 2HB TYR 3 3.810 -12.379 -1.228 23 2HB TYR 3 1HB TYR 3 4.401 -12.181 -2.873 24 HD1 TYR 3 1HD TYR 3 4.168 -14.006 -4.252 25 HD2 TYR 3 2HD TYR 3 4.735 -14.664 -0.087 26 HE1 TYR 3 1HE TYR 3 3.972 -16.429 -4.615 27 HE2 TYR 3 2HE TYR 3 4.547 -17.090 -0.440 28 HH TYR 3 HH TYR 3 3.527 -18.433 -3.472 29 H LYS 4 H LYS 4 6.657 -10.571 -3.150 30 HA LYS 4 HA LYS 4 6.345 -8.254 -1.373 31 1HB LYS 4 2HB LYS 4 8.610 -8.496 -2.174 32 2HB LYS 4 1HB LYS 4 8.052 -8.632 -3.835 33 1HG LYS 4 2HG LYS 4 7.530 -6.370 -3.975 34 2HG LYS 4 1HG LYS 4 7.507 -6.172 -2.225 35 1HD LYS 4 2HD LYS 4 9.501 -5.158 -3.273 36 2HD LYS 4 1HD LYS 4 9.909 -6.427 -2.119 37 1HE LYS 4 2HE LYS 4 9.703 -6.904 -5.086 38 2HE LYS 4 1HE LYS 4 11.203 -6.428 -4.293 39 1HZ LYS 4 1HZ LYS 4 11.500 -8.619 -4.071 40 2HZ LYS 4 2HZ LYS 4 9.870 -8.987 -4.324 41 3HZ LYS 4 3HZ LYS 4 10.401 -8.510 -2.790 42 H VAL 5 H VAL 5 5.342 -6.366 -2.187 43 HA VAL 5 HA VAL 5 3.750 -6.730 -4.625 44 HB VAL 5 HB VAL 5 2.652 -5.700 -2.003 45 1HG1 VAL 5 1HG1 VAL 5 1.121 -6.236 -4.534 46 2HG1 VAL 5 2HG1 VAL 5 1.766 -4.647 -4.127 47 3HG1 VAL 5 3HG1 VAL 5 0.570 -5.409 -3.078 48 1HG2 VAL 5 1HG2 VAL 5 1.667 -8.140 -3.419 49 2HG2 VAL 5 2HG2 VAL 5 1.517 -7.692 -1.720 50 3HG2 VAL 5 3HG2 VAL 5 3.069 -8.239 -2.355 51 H ILE 6 H ILE 6 4.040 -5.095 -5.963 52 HA ILE 6 HA ILE 6 5.146 -2.589 -4.941 53 HB ILE 6 HB ILE 6 4.845 -3.616 -7.766 54 1HG1 ILE 6 2HG1 ILE 6 7.294 -3.139 -6.056 55 2HG1 ILE 6 1HG1 ILE 6 6.593 -4.713 -6.409 56 1HG2 ILE 6 1HG2 ILE 6 4.603 -1.204 -7.754 57 2HG2 ILE 6 2HG2 ILE 6 6.166 -1.652 -8.438 58 3HG2 ILE 6 3HG2 ILE 6 6.069 -1.040 -6.787 59 1HD1 ILE 6 1HD1 ILE 6 8.554 -4.244 -7.785 60 2HD1 ILE 6 2HD1 ILE 6 7.746 -2.820 -8.442 61 3HD1 ILE 6 3HD1 ILE 6 7.098 -4.428 -8.763 62 H LEU 7 H LEU 7 3.918 -0.853 -4.660 63 HA LEU 7 HA LEU 7 1.217 -0.871 -5.818 64 1HB LEU 7 2HB LEU 7 2.138 0.921 -3.585 65 2HB LEU 7 1HB LEU 7 0.503 0.430 -3.989 66 HG LEU 7 HG LEU 7 2.628 -1.337 -2.785 67 1HD1 LEU 7 1HD1 LEU 7 1.336 -1.264 -0.787 68 2HD1 LEU 7 2HD1 LEU 7 0.050 -0.354 -1.581 69 3HD1 LEU 7 3HD1 LEU 7 1.619 0.398 -1.297 70 1HD2 LEU 7 1HD2 LEU 7 0.988 -3.061 -2.714 71 2HD2 LEU 7 2HD2 LEU 7 1.058 -2.469 -4.372 72 3HD2 LEU 7 3HD2 LEU 7 -0.266 -1.977 -3.317 73 H ASN 8 H ASN 8 1.855 -0.060 -7.868 74 HA ASN 8 HA ASN 8 3.094 2.574 -7.967 75 1HB ASN 8 2HB ASN 8 2.402 0.558 -10.099 76 2HB ASN 8 1HB ASN 8 3.001 2.168 -10.472 77 1HD2 ASN 8 1HD2 ASN 8 4.478 1.404 -7.664 78 2HD2 ASN 8 2HD2 ASN 8 5.920 0.689 -8.276 79 H GLY 9 H GLY 9 1.745 4.269 -7.719 80 1HA GLY 9 2HA GLY 9 -0.870 4.127 -9.092 81 2HA GLY 9 1HA GLY 9 -0.600 5.019 -7.606 82 H LYS 10 H LYS 10 -1.625 6.727 -8.896 83 HA LYS 10 HA LYS 10 -0.166 7.907 -11.058 84 1HB LYS 10 2HB LYS 10 -2.320 9.203 -9.387 85 2HB LYS 10 1HB LYS 10 -1.859 9.604 -11.033 86 1HG LYS 10 2HG LYS 10 -3.214 7.081 -10.109 87 2HG LYS 10 1HG LYS 10 -3.944 8.398 -11.028 88 1HD LYS 10 2HD LYS 10 -1.599 6.806 -12.039 89 2HD LYS 10 1HD LYS 10 -3.273 6.342 -12.346 90 1HE LYS 10 2HE LYS 10 -2.493 7.570 -14.236 91 2HE LYS 10 1HE LYS 10 -3.634 8.588 -13.362 92 1HZ LYS 10 1HZ LYS 10 -2.056 10.085 -12.898 93 2HZ LYS 10 2HZ LYS 10 -1.197 9.371 -14.166 94 3HZ LYS 10 3HZ LYS 10 -0.875 8.918 -12.571 95 H THR 11 H THR 11 -0.937 9.025 -7.762 96 HA THR 11 HA THR 11 1.404 10.785 -7.850 97 HB THR 11 HB THR 11 0.160 11.799 -5.819 98 HG1 THR 11 1HG THR 11 -2.018 10.493 -7.056 99 1HG2 THR 11 1HG2 THR 11 0.282 12.908 -8.024 100 2HG2 THR 11 2HG2 THR 11 -1.232 13.206 -7.168 101 3HG2 THR 11 3HG2 THR 11 -1.183 12.047 -8.496 102 H LEU 12 H LEU 12 0.817 7.783 -6.904 103 HA LEU 12 HA LEU 12 2.590 8.032 -4.598 104 1HB LEU 12 2HB LEU 12 0.325 7.909 -3.708 105 2HB LEU 12 1HB LEU 12 0.030 6.437 -4.616 106 HG LEU 12 HG LEU 12 1.599 5.218 -3.269 107 1HD1 LEU 12 1HD1 LEU 12 3.378 6.341 -2.547 108 2HD1 LEU 12 2HD1 LEU 12 2.364 6.887 -1.211 109 3HD1 LEU 12 3HD1 LEU 12 2.545 7.884 -2.651 110 1HD2 LEU 12 1HD2 LEU 12 0.117 4.934 -1.633 111 2HD2 LEU 12 2HD2 LEU 12 -0.766 6.302 -2.314 112 3HD2 LEU 12 3HD2 LEU 12 0.390 6.562 -1.009 113 H LYS 13 H LYS 13 4.045 6.438 -4.360 114 HA LYS 13 HA LYS 13 3.833 4.002 -5.947 115 1HB LYS 13 2HB LYS 13 6.315 5.719 -6.096 116 2HB LYS 13 1HB LYS 13 5.990 4.236 -6.981 117 1HG LYS 13 2HG LYS 13 5.595 5.801 -8.596 118 2HG LYS 13 1HG LYS 13 3.972 5.596 -7.931 119 1HD LYS 13 2HD LYS 13 4.343 7.575 -6.498 120 2HD LYS 13 1HD LYS 13 5.928 7.786 -7.239 121 1HE LYS 13 2HE LYS 13 3.277 7.872 -8.673 122 2HE LYS 13 1HE LYS 13 4.269 9.266 -8.249 123 1HZ LYS 13 1HZ LYS 13 5.322 9.008 -10.164 124 2HZ LYS 13 2HZ LYS 13 4.450 7.602 -10.514 125 3HZ LYS 13 3HZ LYS 13 5.898 7.502 -9.648 126 H GLY 14 H GLY 14 5.071 2.267 -5.095 127 1HA GLY 14 2HA GLY 14 7.045 2.551 -3.119 128 2HA GLY 14 1HA GLY 14 5.499 2.361 -2.315 129 H GLU 15 H GLU 15 6.644 0.472 -1.433 130 HA GLU 15 HA GLU 15 5.963 -1.889 -2.985 131 1HB GLU 15 2HB GLU 15 8.738 -1.469 -1.856 132 2HB GLU 15 1HB GLU 15 8.148 -2.953 -2.589 133 1HG GLU 15 2HG GLU 15 7.869 -1.800 -4.718 134 2HG GLU 15 1HG GLU 15 8.442 -0.303 -3.985 135 H THR 16 H THR 16 5.741 -3.782 -1.709 136 HA THR 16 HA THR 16 6.048 -3.584 1.161 137 HB THR 16 HB THR 16 3.928 -2.659 1.190 138 HG1 THR 16 1HG THR 16 3.322 -5.399 1.117 139 1HG2 THR 16 1HG2 THR 16 3.047 -2.542 -0.894 140 2HG2 THR 16 2HG2 THR 16 2.055 -3.842 -0.229 141 3HG2 THR 16 3HG2 THR 16 3.427 -4.222 -1.267 142 H THR 17 H THR 17 5.299 -5.734 2.225 143 HA THR 17 HA THR 17 5.576 -7.985 0.368 144 HB THR 17 HB THR 17 7.278 -9.019 1.887 145 HG1 THR 17 1HG THR 17 7.165 -6.442 3.037 146 1HG2 THR 17 1HG2 THR 17 7.780 -6.669 0.191 147 2HG2 THR 17 2HG2 THR 17 8.467 -8.291 0.128 148 3HG2 THR 17 3HG2 THR 17 9.073 -7.122 1.300 149 H THR 18 H THR 18 4.059 -9.406 0.736 150 HA THR 18 HA THR 18 2.931 -9.710 3.451 151 HB THR 18 HB THR 18 1.368 -9.037 1.618 152 HG1 THR 18 1HG THR 18 0.670 -10.269 3.438 153 1HG2 THR 18 1HG2 THR 18 2.067 -11.736 0.498 154 2HG2 THR 18 2HG2 THR 18 2.215 -10.166 -0.294 155 3HG2 THR 18 3HG2 THR 18 0.619 -10.828 0.061 156 H GLU 19 H GLU 19 2.831 -11.712 4.398 157 HA GLU 19 HA GLU 19 4.443 -13.834 3.161 158 1HB GLU 19 2HB GLU 19 5.164 -13.208 5.373 159 2HB GLU 19 1HB GLU 19 3.529 -13.339 6.002 160 1HG GLU 19 2HG GLU 19 4.878 -15.214 6.710 161 2HG GLU 19 1HG GLU 19 3.578 -15.749 5.649 162 H ALA 20 H ALA 20 3.239 -15.258 1.973 163 HA ALA 20 HA ALA 20 0.892 -16.428 3.242 164 1HB ALA 20 1HB ALA 20 0.509 -15.715 0.402 165 2HB ALA 20 2HB ALA 20 0.450 -14.394 1.568 166 3HB ALA 20 3HB ALA 20 -0.650 -15.763 1.731 167 H VAL 21 H VAL 21 0.372 -18.458 2.542 168 HA VAL 21 HA VAL 21 2.369 -20.197 1.820 169 HB VAL 21 HB VAL 21 -0.544 -20.654 1.187 170 1HG1 VAL 21 1HG1 VAL 21 -0.087 -22.947 1.300 171 2HG1 VAL 21 2HG1 VAL 21 1.477 -22.688 2.077 172 3HG1 VAL 21 3HG1 VAL 21 1.256 -22.276 0.375 173 1HG2 VAL 21 1HG2 VAL 21 -0.714 -20.057 3.390 174 2HG2 VAL 21 2HG2 VAL 21 0.923 -20.591 3.777 175 3HG2 VAL 21 3HG2 VAL 21 -0.362 -21.778 3.554 176 H ASP 22 H ASP 22 0.174 -18.482 -0.329 177 HA ASP 22 HA ASP 22 1.915 -19.151 -2.563 178 1HB ASP 22 2HB ASP 22 0.146 -19.971 -4.006 179 2HB ASP 22 1HB ASP 22 0.232 -20.962 -2.555 180 H ALA 23 H ALA 23 1.072 -18.026 -4.642 181 HA ALA 23 HA ALA 23 1.070 -15.283 -4.182 182 1HB ALA 23 1HB ALA 23 1.841 -16.013 -6.276 183 2HB ALA 23 2HB ALA 23 0.342 -15.151 -6.618 184 3HB ALA 23 3HB ALA 23 0.361 -16.914 -6.601 185 H ALA 24 H ALA 24 -1.636 -17.451 -4.891 186 HA ALA 24 HA ALA 24 -3.603 -15.438 -5.078 187 1HB ALA 24 1HB ALA 24 -4.327 -17.472 -5.912 188 2HB ALA 24 2HB ALA 24 -5.145 -17.420 -4.351 189 3HB ALA 24 3HB ALA 24 -3.680 -18.383 -4.549 190 H THR 25 H THR 25 -2.729 -17.556 -2.338 191 HA THR 25 HA THR 25 -4.400 -16.425 -0.433 192 HB THR 25 HB THR 25 -2.765 -17.283 1.219 193 HG1 THR 25 1HG THR 25 -0.785 -17.452 0.680 194 1HG2 THR 25 1HG2 THR 25 -2.563 -19.664 0.296 195 2HG2 THR 25 2HG2 THR 25 -3.508 -19.054 -1.062 196 3HG2 THR 25 3HG2 THR 25 -4.173 -18.998 0.570 197 H ALA 26 H ALA 26 -1.111 -15.573 -1.417 198 HA ALA 26 HA ALA 26 -0.717 -13.430 0.358 199 1HB ALA 26 1HB ALA 26 1.192 -12.995 -0.828 200 2HB ALA 26 2HB ALA 26 0.413 -13.254 -2.388 201 3HB ALA 26 3HB ALA 26 0.880 -14.636 -1.396 202 H GLU 27 H GLU 27 -1.829 -13.450 -3.040 203 HA GLU 27 HA GLU 27 -2.401 -10.806 -3.401 204 1HB GLU 27 2HB GLU 27 -2.596 -12.483 -5.168 205 2HB GLU 27 1HB GLU 27 -3.992 -13.187 -4.362 206 1HG GLU 27 2HG GLU 27 -5.258 -11.151 -4.728 207 2HG GLU 27 1HG GLU 27 -3.856 -10.399 -5.489 208 H LYS 28 H LYS 28 -4.533 -13.294 -2.020 209 HA LYS 28 HA LYS 28 -6.713 -11.603 -1.479 210 1HB LYS 28 2HB LYS 28 -5.838 -14.128 -0.057 211 2HB LYS 28 1HB LYS 28 -7.407 -13.357 0.135 212 1HG LYS 28 2HG LYS 28 -6.301 -14.596 -2.373 213 2HG LYS 28 1HG LYS 28 -7.611 -15.215 -1.367 214 1HD LYS 28 2HD LYS 28 -8.949 -13.240 -1.894 215 2HD LYS 28 1HD LYS 28 -7.636 -12.614 -2.893 216 1HE LYS 28 2HE LYS 28 -9.353 -13.673 -4.264 217 2HE LYS 28 1HE LYS 28 -7.826 -14.548 -4.368 218 1HZ LYS 28 1HZ LYS 28 -8.696 -16.353 -3.384 219 2HZ LYS 28 2HZ LYS 28 -10.173 -15.715 -3.901 220 3HZ LYS 28 3HZ LYS 28 -9.655 -15.463 -2.312 221 H VAL 29 H VAL 29 -3.937 -12.590 0.484 222 HA VAL 29 HA VAL 29 -4.628 -11.267 2.844 223 HB VAL 29 HB VAL 29 -1.861 -11.770 1.727 224 1HG1 VAL 29 1HG1 VAL 29 -2.831 -10.736 4.337 225 2HG1 VAL 29 2HG1 VAL 29 -1.384 -10.320 3.420 226 3HG1 VAL 29 3HG1 VAL 29 -1.443 -11.826 4.335 227 1HG2 VAL 29 1HG2 VAL 29 -2.790 -13.483 3.891 228 2HG2 VAL 29 2HG2 VAL 29 -2.031 -13.907 2.356 229 3HG2 VAL 29 3HG2 VAL 29 -3.771 -13.626 2.432 230 H VAL 30 H VAL 30 -2.974 -10.145 -0.056 231 HA VAL 30 HA VAL 30 -2.335 -7.558 0.959 232 HB VAL 30 HB VAL 30 -2.662 -8.479 -1.907 233 1HG1 VAL 30 1HG1 VAL 30 -1.625 -6.505 -2.618 234 2HG1 VAL 30 2HG1 VAL 30 -1.071 -6.104 -0.992 235 3HG1 VAL 30 3HG1 VAL 30 -2.781 -5.965 -1.400 236 1HG2 VAL 30 1HG2 VAL 30 -0.897 -9.567 -0.354 237 2HG2 VAL 30 2HG2 VAL 30 -0.047 -8.030 -0.526 238 3HG2 VAL 30 3HG2 VAL 30 -0.405 -9.004 -1.953 239 H LYS 31 H LYS 31 -4.918 -8.792 -1.201 240 HA LYS 31 HA LYS 31 -6.334 -6.453 -1.555 241 1HB LYS 31 2HB LYS 31 -7.203 -9.318 -1.405 242 2HB LYS 31 1HB LYS 31 -8.396 -8.039 -1.592 243 1HG LYS 31 2HG LYS 31 -7.284 -7.293 -3.629 244 2HG LYS 31 1HG LYS 31 -6.088 -8.576 -3.446 245 1HD LYS 31 2HD LYS 31 -7.749 -10.264 -3.756 246 2HD LYS 31 1HD LYS 31 -9.049 -9.074 -3.681 247 1HE LYS 31 2HE LYS 31 -8.609 -9.766 -5.983 248 2HE LYS 31 1HE LYS 31 -8.256 -8.055 -5.746 249 1HZ LYS 31 1HZ LYS 31 -6.525 -10.150 -6.583 250 2HZ LYS 31 2HZ LYS 31 -5.893 -9.356 -5.231 251 3HZ LYS 31 3HZ LYS 31 -6.279 -8.477 -6.623 252 H GLN 32 H GLN 32 -6.428 -8.715 1.141 253 HA GLN 32 HA GLN 32 -8.520 -7.438 2.568 254 1HB GLN 32 2HB GLN 32 -7.719 -9.738 3.073 255 2HB GLN 32 1HB GLN 32 -6.208 -9.061 3.664 256 1HG GLN 32 2HG GLN 32 -7.593 -9.589 5.531 257 2HG GLN 32 1HG GLN 32 -7.469 -7.840 5.396 258 1HE2 GLN 32 1HE2 GLN 32 -9.500 -9.035 2.992 259 2HE2 GLN 32 2HE2 GLN 32 -11.007 -8.759 3.781 260 H PHE 33 H PHE 33 -5.053 -7.019 2.404 261 HA PHE 33 HA PHE 33 -4.596 -5.284 4.522 262 1HB PHE 33 2HB PHE 33 -2.875 -6.356 3.019 263 2HB PHE 33 1HB PHE 33 -3.280 -5.158 1.796 264 HD1 PHE 33 1HD PHE 33 -2.223 -5.386 5.350 265 HD2 PHE 33 2HD PHE 33 -2.023 -3.221 1.678 266 HE1 PHE 33 1HE PHE 33 -0.596 -3.826 6.340 267 HE2 PHE 33 2HE PHE 33 -0.393 -1.675 2.682 268 HZ PHE 33 HZ PHE 33 0.314 -1.987 5.023 269 H PHE 34 H PHE 34 -5.115 -4.406 1.132 270 HA PHE 34 HA PHE 34 -5.531 -1.638 1.667 271 1HB PHE 34 2HB PHE 34 -6.178 -3.256 -0.798 272 2HB PHE 34 1HB PHE 34 -6.157 -1.492 -0.705 273 HD1 PHE 34 1HD PHE 34 -3.860 -0.814 0.781 274 HD2 PHE 34 2HD PHE 34 -4.347 -3.988 -2.003 275 HE1 PHE 34 1HE PHE 34 -1.437 -0.833 0.390 276 HE2 PHE 34 2HE PHE 34 -1.919 -4.007 -2.410 277 HZ PHE 34 HZ PHE 34 -0.470 -2.428 -1.200 278 H ASN 35 H ASN 35 -7.681 -4.365 1.113 279 HA ASN 35 HA ASN 35 -10.129 -3.101 0.924 280 1HB ASN 35 2HB ASN 35 -9.827 -5.530 0.719 281 2HB ASN 35 1HB ASN 35 -9.452 -5.640 2.434 282 1HD2 ASN 35 1HD2 ASN 35 -11.683 -6.464 0.423 283 2HD2 ASN 35 2HD2 ASN 35 -13.123 -6.187 1.337 284 H ASP 36 H ASP 36 -8.171 -3.803 3.718 285 HA ASP 36 HA ASP 36 -10.105 -2.581 5.531 286 1HB ASP 36 2HB ASP 36 -7.517 -4.039 6.082 287 2HB ASP 36 1HB ASP 36 -8.563 -3.366 7.329 288 H ASN 37 H ASN 37 -7.104 -1.769 3.964 289 HA ASN 37 HA ASN 37 -6.476 0.348 5.841 290 1HB ASN 37 2HB ASN 37 -5.323 -0.326 3.124 291 2HB ASN 37 1HB ASN 37 -4.759 1.008 4.123 292 1HD2 ASN 37 1HD2 ASN 37 -3.606 -1.642 3.130 293 2HD2 ASN 37 2HD2 ASN 37 -2.910 -2.329 4.556 294 H GLY 38 H GLY 38 -7.695 0.066 2.553 295 1HA GLY 38 2HA GLY 38 -8.104 2.137 1.251 296 2HA GLY 38 1HA GLY 38 -9.576 1.399 1.843 297 H VAL 39 H VAL 39 -10.963 2.719 2.740 298 HA VAL 39 HA VAL 39 -10.048 5.384 3.543 299 HB VAL 39 HB VAL 39 -12.853 4.439 3.026 300 1HG1 VAL 39 1HG1 VAL 39 -13.046 6.997 2.536 301 2HG1 VAL 39 2HG1 VAL 39 -11.617 7.102 3.566 302 3HG1 VAL 39 3HG1 VAL 39 -13.110 6.405 4.196 303 1HG2 VAL 39 1HG2 VAL 39 -12.600 5.548 0.823 304 2HG2 VAL 39 2HG2 VAL 39 -11.569 4.131 1.018 305 3HG2 VAL 39 3HG2 VAL 39 -10.881 5.748 1.160 306 H ASP 40 H ASP 40 -10.772 2.578 5.273 307 HA ASP 40 HA ASP 40 -11.762 4.228 7.497 308 1HB ASP 40 2HB ASP 40 -12.525 1.374 6.856 309 2HB ASP 40 1HB ASP 40 -13.018 2.254 8.299 310 H GLY 41 H GLY 41 -9.020 3.083 6.588 311 1HA GLY 41 2HA GLY 41 -8.326 1.264 8.708 312 2HA GLY 41 1HA GLY 41 -7.224 1.984 7.548 313 H GLU 42 H GLU 42 -6.410 1.698 10.108 314 HA GLU 42 HA GLU 42 -6.769 4.281 11.444 315 1HB GLU 42 2HB GLU 42 -5.284 1.806 12.359 316 2HB GLU 42 1HB GLU 42 -5.532 3.260 13.314 317 1HG GLU 42 2HG GLU 42 -7.116 1.717 14.082 318 2HG GLU 42 1HG GLU 42 -8.009 2.848 13.067 319 H TRP 43 H TRP 43 -5.552 5.760 10.361 320 HA TRP 43 HA TRP 43 -2.802 5.075 9.642 321 1HB TRP 43 2HB TRP 43 -4.488 7.479 8.951 322 2HB TRP 43 1HB TRP 43 -2.862 7.176 8.354 323 HD1 TRP 43 HD TRP 43 -5.383 4.284 8.465 324 HE1 TRP 43 1HE TRP 43 -5.975 3.649 6.029 325 HE3 TRP 43 3HE TRP 43 -3.034 8.103 6.023 326 HZ2 TRP 43 2HZ TRP 43 -5.510 4.634 3.443 327 HZ3 TRP 43 3HZ TRP 43 -3.152 8.185 3.573 328 HH2 TRP 43 HH TRP 43 -4.364 6.485 2.306 329 H THR 44 H THR 44 -1.133 5.684 10.833 330 HA THR 44 HA THR 44 -1.449 7.958 12.678 331 HB THR 44 HB THR 44 0.461 6.955 13.928 332 HG1 THR 44 1HG THR 44 0.077 4.724 12.226 333 1HG2 THR 44 1HG2 THR 44 -2.098 6.260 14.185 334 2HG2 THR 44 2HG2 THR 44 -0.806 5.564 15.162 335 3HG2 THR 44 3HG2 THR 44 -1.418 4.689 13.757 336 H TYR 45 H TYR 45 -0.070 9.680 12.480 337 HA TYR 45 HA TYR 45 1.787 9.576 10.207 338 1HB TYR 45 2HB TYR 45 0.024 11.264 10.050 339 2HB TYR 45 1HB TYR 45 0.534 11.959 11.585 340 HD1 TYR 45 1HD TYR 45 2.431 10.872 8.554 341 HD2 TYR 45 2HD TYR 45 1.448 14.046 11.209 342 HE1 TYR 45 1HE TYR 45 3.998 12.345 7.363 343 HE2 TYR 45 2HE TYR 45 3.009 15.530 10.022 344 HH TYR 45 HH TYR 45 4.000 15.618 7.619 345 H ASP 46 H ASP 46 3.896 10.274 10.349 346 HA ASP 46 HA ASP 46 4.913 10.808 13.064 347 1HB ASP 46 2HB ASP 46 5.533 8.543 12.360 348 2HB ASP 46 1HB ASP 46 6.245 9.183 10.883 349 H ASP 47 H ASP 47 4.697 13.048 12.535 350 HA ASP 47 HA ASP 47 5.679 14.447 10.412 351 1HB ASP 47 2HB ASP 47 5.854 15.276 13.314 352 2HB ASP 47 1HB ASP 47 5.962 16.363 11.934 353 H ALA 48 H ALA 48 7.537 13.153 13.106 354 HA ALA 48 HA ALA 48 9.932 14.451 12.839 355 1HB ALA 48 1HB ALA 48 10.757 12.903 14.248 356 2HB ALA 48 2HB ALA 48 10.171 11.551 13.280 357 3HB ALA 48 3HB ALA 48 9.067 12.408 14.357 358 H THR 49 H THR 49 8.682 11.886 10.781 359 HA THR 49 HA THR 49 11.031 12.273 9.046 360 HB THR 49 HB THR 49 10.895 9.883 8.421 361 HG1 THR 49 1HG THR 49 9.277 8.737 9.053 362 1HG2 THR 49 1HG2 THR 49 11.521 10.738 11.173 363 2HG2 THR 49 2HG2 THR 49 12.538 9.959 9.961 364 3HG2 THR 49 3HG2 THR 49 11.377 9.004 10.883 365 H LYS 50 H LYS 50 8.050 13.178 9.126 366 HA LYS 50 HA LYS 50 6.361 13.552 7.625 367 1HB LYS 50 2HB LYS 50 8.666 13.202 5.695 368 2HB LYS 50 1HB LYS 50 7.088 13.837 5.252 369 1HG LYS 50 2HG LYS 50 8.931 15.084 7.279 370 2HG LYS 50 1HG LYS 50 8.789 15.586 5.593 371 1HD LYS 50 2HD LYS 50 6.399 16.065 5.966 372 2HD LYS 50 1HD LYS 50 6.597 15.633 7.666 373 1HE LYS 50 2HE LYS 50 8.001 17.877 6.218 374 2HE LYS 50 1HE LYS 50 6.677 18.049 7.369 375 1HZ LYS 50 1HZ LYS 50 8.390 16.676 8.844 376 2HZ LYS 50 2HZ LYS 50 8.388 18.367 8.783 377 3HZ LYS 50 3HZ LYS 50 9.492 17.490 7.849 378 H THR 51 H THR 51 6.816 10.822 8.490 379 HA THR 51 HA THR 51 6.000 9.293 6.122 380 HB THR 51 HB THR 51 7.057 8.360 8.795 381 HG1 THR 51 1HG THR 51 8.238 8.202 6.227 382 1HG2 THR 51 1HG2 THR 51 5.524 6.706 7.847 383 2HG2 THR 51 2HG2 THR 51 7.197 6.146 7.852 384 3HG2 THR 51 3HG2 THR 51 6.460 6.713 6.353 385 H PHE 52 H PHE 52 4.203 7.866 6.237 386 HA PHE 52 HA PHE 52 2.325 8.458 8.428 387 1HB PHE 52 2HB PHE 52 1.593 8.025 5.535 388 2HB PHE 52 1HB PHE 52 0.474 8.316 6.858 389 HD1 PHE 52 1HD PHE 52 -0.209 10.474 7.329 390 HD2 PHE 52 2HD PHE 52 3.349 9.862 5.077 391 HE1 PHE 52 1HE PHE 52 -0.064 12.893 6.907 392 HE2 PHE 52 2HE PHE 52 3.502 12.278 4.657 393 HZ PHE 52 HZ PHE 52 1.796 13.798 5.570 394 H THR 53 H THR 53 2.656 6.651 9.549 395 HA THR 53 HA THR 53 2.712 4.046 8.355 396 HB THR 53 HB THR 53 2.410 3.312 10.839 397 HG1 THR 53 1HG THR 53 3.331 5.942 11.265 398 1HG2 THR 53 1HG2 THR 53 4.815 4.584 9.630 399 2HG2 THR 53 2HG2 THR 53 4.490 2.881 9.976 400 3HG2 THR 53 3HG2 THR 53 4.849 4.001 11.295 401 H VAL 54 H VAL 54 1.133 2.783 7.816 402 HA VAL 54 HA VAL 54 -1.584 3.367 8.789 403 HB VAL 54 HB VAL 54 -0.763 1.892 6.269 404 1HG1 VAL 54 1HG1 VAL 54 -2.811 0.986 6.566 405 2HG1 VAL 54 2HG1 VAL 54 -3.358 2.531 5.915 406 3HG1 VAL 54 3HG1 VAL 54 -3.337 2.266 7.658 407 1HG2 VAL 54 1HG2 VAL 54 -0.984 3.797 5.082 408 2HG2 VAL 54 2HG2 VAL 54 -0.591 4.556 6.626 409 3HG2 VAL 54 3HG2 VAL 54 -2.273 4.419 6.114 410 H THR 55 H THR 55 -1.727 2.128 10.582 411 HA THR 55 HA THR 55 -0.783 -0.620 10.501 412 HB THR 55 HB THR 55 -2.110 0.689 12.861 413 HG1 THR 55 1HG THR 55 0.568 0.913 11.965 414 1HG2 THR 55 1HG2 THR 55 -1.669 -1.703 13.046 415 2HG2 THR 55 2HG2 THR 55 -0.652 -0.770 14.144 416 3HG2 THR 55 3HG2 THR 55 0.028 -1.421 12.652 417 H GLU 56 H GLU 56 -2.041 -2.189 9.832 418 HA GLU 56 HA GLU 56 -4.713 -2.028 9.177 419 1HB GLU 56 2HB GLU 56 -3.158 -3.824 8.462 420 2HB GLU 56 1HB GLU 56 -3.218 -4.499 10.085 421 1HG GLU 56 2HG GLU 56 -5.586 -4.227 8.243 422 2HG GLU 56 1HG GLU 56 -4.641 -5.695 8.472 423 1H MET 1 1HT MET 1 6.878 19.878 -2.184 424 2H MET 1 2HT MET 1 5.669 19.174 -1.232 425 3H MET 1 3HT MET 1 6.017 18.541 -2.761 426 HA MET 1 HA MET 1 8.378 18.209 -1.820 427 1HB MET 1 2HB MET 1 7.862 19.492 0.233 428 2HB MET 1 1HB MET 1 6.661 18.287 0.675 429 1HG MET 1 2HG MET 1 8.351 16.616 0.958 430 2HG MET 1 1HG MET 1 9.590 17.696 0.319 431 1HE MET 1 1HE MET 1 6.675 18.734 2.759 432 2HE MET 1 2HE MET 1 7.414 18.413 4.326 433 3HE MET 1 3HE MET 1 7.044 17.078 3.236 434 H GLN 2 H GLN 2 8.814 15.984 -0.868 435 HA GLN 2 HA GLN 2 6.732 14.145 -1.810 436 1HB GLN 2 2HB GLN 2 8.906 13.929 -2.924 437 2HB GLN 2 1HB GLN 2 9.689 13.679 -1.370 438 1HG GLN 2 2HG GLN 2 8.430 11.612 -1.062 439 2HG GLN 2 1HG GLN 2 7.635 11.864 -2.615 440 1HE2 GLN 2 1HE2 GLN 2 8.444 10.673 -4.172 441 2HE2 GLN 2 2HE2 GLN 2 10.092 10.181 -4.336 442 H TYR 3 H TYR 3 6.016 12.447 -0.522 443 HA TYR 3 HA TYR 3 6.984 12.437 2.254 444 1HB TYR 3 2HB TYR 3 4.091 12.335 1.374 445 2HB TYR 3 1HB TYR 3 4.656 12.124 3.028 446 HD1 TYR 3 1HD TYR 3 4.447 13.954 4.404 447 HD2 TYR 3 2HD TYR 3 5.089 14.598 0.247 448 HE1 TYR 3 1HE TYR 3 4.305 16.380 4.765 449 HE2 TYR 3 2HE TYR 3 4.953 17.028 0.599 450 HH TYR 3 HH TYR 3 3.923 18.395 3.615 451 H LYS 4 H LYS 4 6.868 10.458 3.335 452 HA LYS 4 HA LYS 4 6.524 8.148 1.554 453 1HB LYS 4 2HB LYS 4 8.782 8.337 2.387 454 2HB LYS 4 1HB LYS 4 8.204 8.486 4.040 455 1HG LYS 4 2HG LYS 4 7.625 6.238 4.173 456 2HG LYS 4 1HG LYS 4 7.623 6.040 2.422 457 1HD LYS 4 2HD LYS 4 9.575 4.977 3.497 458 2HD LYS 4 1HD LYS 4 10.033 6.237 2.352 459 1HE LYS 4 2HE LYS 4 9.794 6.717 5.315 460 2HE LYS 4 1HE LYS 4 11.294 6.206 4.543 461 1HZ LYS 4 1HZ LYS 4 11.647 8.388 4.326 462 2HZ LYS 4 2HZ LYS 4 10.023 8.796 4.554 463 3HZ LYS 4 3HZ LYS 4 10.565 8.307 3.029 464 H VAL 5 H VAL 5 5.464 6.286 2.355 465 HA VAL 5 HA VAL 5 3.846 6.689 4.770 466 HB VAL 5 HB VAL 5 2.764 5.685 2.131 467 1HG1 VAL 5 1HG1 VAL 5 1.208 6.260 4.636 468 2HG1 VAL 5 2HG1 VAL 5 1.820 4.654 4.239 469 3HG1 VAL 5 3HG1 VAL 5 0.658 5.445 3.174 470 1HG2 VAL 5 1HG2 VAL 5 1.815 8.149 3.532 471 2HG2 VAL 5 2HG2 VAL 5 1.680 7.705 1.831 472 3HG2 VAL 5 3HG2 VAL 5 3.236 8.214 2.489 473 H ILE 6 H ILE 6 4.077 5.048 6.110 474 HA ILE 6 HA ILE 6 5.136 2.517 5.104 475 HB ILE 6 HB ILE 6 4.822 3.550 7.926 476 1HG1 ILE 6 2HG1 ILE 6 7.281 3.017 6.248 477 2HG1 ILE 6 1HG1 ILE 6 6.612 4.605 6.594 478 1HG2 ILE 6 1HG2 ILE 6 4.521 1.145 7.909 479 2HG2 ILE 6 2HG2 ILE 6 6.084 1.555 8.614 480 3HG2 ILE 6 3HG2 ILE 6 5.996 0.946 6.962 481 1HD1 ILE 6 1HD1 ILE 6 8.543 4.086 7.995 482 2HD1 ILE 6 2HD1 ILE 6 7.692 2.683 8.640 483 3HD1 ILE 6 3HD1 ILE 6 7.080 4.307 8.955 484 H LEU 7 H LEU 7 3.872 0.810 4.806 485 HA LEU 7 HA LEU 7 1.156 0.893 5.924 486 1HB LEU 7 2HB LEU 7 2.065 -0.921 3.703 487 2HB LEU 7 1HB LEU 7 0.438 -0.389 4.084 488 HG LEU 7 HG LEU 7 2.621 1.325 2.911 489 1HD1 LEU 7 1HD1 LEU 7 1.355 1.284 0.895 490 2HD1 LEU 7 2HD1 LEU 7 0.037 0.405 1.671 491 3HD1 LEU 7 3HD1 LEU 7 1.591 -0.385 1.408 492 1HD2 LEU 7 1HD2 LEU 7 1.024 3.090 2.817 493 2HD2 LEU 7 2HD2 LEU 7 1.055 2.495 4.476 494 3HD2 LEU 7 3HD2 LEU 7 -0.265 2.035 3.402 495 H ASN 8 H ASN 8 1.745 0.068 7.983 496 HA ASN 8 HA ASN 8 2.918 -2.595 8.098 497 1HB ASN 8 2HB ASN 8 2.245 -0.561 10.220 498 2HB ASN 8 1HB ASN 8 2.798 -2.186 10.602 499 1HD2 ASN 8 1HD2 ASN 8 4.333 -1.458 7.815 500 2HD2 ASN 8 2HD2 ASN 8 5.784 -0.781 8.447 501 H GLY 9 H GLY 9 1.532 -4.258 7.830 502 1HA GLY 9 2HA GLY 9 -1.098 -4.051 9.166 503 2HA GLY 9 1HA GLY 9 -0.832 -4.949 7.683 504 H LYS 10 H LYS 10 -1.913 -6.631 8.959 505 HA LYS 10 HA LYS 10 -0.514 -7.847 11.142 506 1HB LYS 10 2HB LYS 10 -2.674 -9.089 9.439 507 2HB LYS 10 1HB LYS 10 -2.247 -9.503 11.091 508 1HG LYS 10 2HG LYS 10 -3.528 -6.948 10.150 509 2HG LYS 10 1HG LYS 10 -4.302 -8.248 11.055 510 1HD LYS 10 2HD LYS 10 -1.933 -6.714 12.102 511 2HD LYS 10 1HD LYS 10 -3.599 -6.209 12.386 512 1HE LYS 10 2HE LYS 10 -2.878 -7.456 14.287 513 2HE LYS 10 1HE LYS 10 -4.030 -8.445 13.394 514 1HZ LYS 10 1HZ LYS 10 -2.483 -9.981 12.952 515 2HZ LYS 10 2HZ LYS 10 -1.626 -9.288 14.233 516 3HZ LYS 10 3HZ LYS 10 -1.271 -8.844 12.641 517 H THR 11 H THR 11 -1.266 -8.946 7.835 518 HA THR 11 HA THR 11 1.029 -10.763 7.956 519 HB THR 11 HB THR 11 -0.210 -11.745 5.906 520 HG1 THR 11 1HG THR 11 -2.374 -10.389 7.115 521 1HG2 THR 11 1HG2 THR 11 -0.145 -12.857 8.112 522 2HG2 THR 11 2HG2 THR 11 -1.653 -13.119 7.235 523 3HG2 THR 11 3HG2 THR 11 -1.596 -11.963 8.564 524 H LEU 12 H LEU 12 0.530 -7.748 7.003 525 HA LEU 12 HA LEU 12 2.327 -8.040 4.721 526 1HB LEU 12 2HB LEU 12 0.079 -7.861 3.799 527 2HB LEU 12 1HB LEU 12 -0.192 -6.384 4.703 528 HG LEU 12 HG LEU 12 1.424 -5.202 3.380 529 1HD1 LEU 12 1HD1 LEU 12 3.186 -6.368 2.683 530 2HD1 LEU 12 2HD1 LEU 12 2.178 -6.889 1.333 531 3HD1 LEU 12 3HD1 LEU 12 2.313 -7.890 2.773 532 1HD2 LEU 12 1HD2 LEU 12 -0.028 -4.883 1.723 533 2HD2 LEU 12 2HD2 LEU 12 -0.952 -6.227 2.390 534 3HD2 LEU 12 3HD2 LEU 12 0.216 -6.516 1.101 535 H LYS 13 H LYS 13 3.825 -6.482 4.505 536 HA LYS 13 HA LYS 13 3.649 -4.042 6.090 537 1HB LYS 13 2HB LYS 13 6.086 -5.819 6.273 538 2HB LYS 13 1HB LYS 13 5.786 -4.328 7.154 539 1HG LYS 13 2HG LYS 13 5.329 -5.884 8.761 540 2HG LYS 13 1HG LYS 13 3.723 -5.640 8.075 541 1HD LYS 13 2HD LYS 13 4.064 -7.625 6.646 542 2HD LYS 13 1HD LYS 13 5.634 -7.876 7.408 543 1HE LYS 13 2HE LYS 13 2.961 -7.897 8.804 544 2HE LYS 13 1HE LYS 13 3.926 -9.316 8.394 545 1HZ LYS 13 1HZ LYS 13 4.957 -9.083 10.323 546 2HZ LYS 13 2HZ LYS 13 4.114 -7.657 10.662 547 3HZ LYS 13 3HZ LYS 13 5.577 -7.591 9.817 548 H GLY 14 H GLY 14 4.942 -2.336 5.256 549 1HA GLY 14 2HA GLY 14 6.935 -2.669 3.306 550 2HA GLY 14 1HA GLY 14 5.404 -2.441 2.481 551 H GLU 15 H GLU 15 6.610 -0.581 1.615 552 HA GLU 15 HA GLU 15 5.964 1.796 3.156 553 1HB GLU 15 2HB GLU 15 8.744 1.310 2.068 554 2HB GLU 15 1HB GLU 15 8.178 2.807 2.795 555 1HG GLU 15 2HG GLU 15 7.842 1.660 4.918 556 2HG GLU 15 1HG GLU 15 8.391 0.149 4.193 557 H THR 16 H THR 16 5.806 3.693 1.879 558 HA THR 16 HA THR 16 6.149 3.488 -0.986 559 HB THR 16 HB THR 16 4.007 2.614 -1.044 560 HG1 THR 16 1HG THR 16 3.469 5.371 -0.980 561 1HG2 THR 16 1HG2 THR 16 3.095 2.519 1.028 562 2HG2 THR 16 2HG2 THR 16 2.144 3.843 0.350 563 3HG2 THR 16 3HG2 THR 16 3.509 4.189 1.406 564 H THR 17 H THR 17 5.467 5.656 -2.060 565 HA THR 17 HA THR 17 5.774 7.900 -0.198 566 HB THR 17 HB THR 17 7.521 8.890 -1.693 567 HG1 THR 17 1HG THR 17 7.362 6.319 -2.844 568 1HG2 THR 17 1HG2 THR 17 7.942 6.529 0.010 569 2HG2 THR 17 2HG2 THR 17 8.667 8.135 0.083 570 3HG2 THR 17 3HG2 THR 17 9.262 6.952 -1.081 571 H THR 18 H THR 18 4.296 9.358 -0.587 572 HA THR 18 HA THR 18 3.214 9.688 -3.317 573 HB THR 18 HB THR 18 1.610 9.052 -1.507 574 HG1 THR 18 1HG THR 18 0.967 10.302 -3.337 575 1HG2 THR 18 1HG2 THR 18 2.359 11.734 -0.376 576 2HG2 THR 18 2HG2 THR 18 2.457 10.160 0.415 577 3HG2 THR 18 3HG2 THR 18 0.884 10.861 0.040 578 H GLU 19 H GLU 19 3.176 11.694 -4.265 579 HA GLU 19 HA GLU 19 4.821 13.774 -3.005 580 1HB GLU 19 2HB GLU 19 5.558 13.131 -5.204 581 2HB GLU 19 1HB GLU 19 3.937 13.302 -5.858 582 1HG GLU 19 2HG GLU 19 5.341 15.144 -6.546 583 2HG GLU 19 1HG GLU 19 4.039 15.710 -5.503 584 H ALA 20 H ALA 20 3.637 15.227 -1.833 585 HA ALA 20 HA ALA 20 1.337 16.454 -3.135 586 1HB ALA 20 1HB ALA 20 0.899 15.752 -0.301 587 2HB ALA 20 2HB ALA 20 0.824 14.432 -1.467 588 3HB ALA 20 3HB ALA 20 -0.240 15.825 -1.646 589 H VAL 21 H VAL 21 0.854 18.495 -2.443 590 HA VAL 21 HA VAL 21 2.884 20.186 -1.694 591 HB VAL 21 HB VAL 21 -0.025 20.713 -1.099 592 1HG1 VAL 21 1HG1 VAL 21 0.489 22.993 -1.204 593 2HG1 VAL 21 2HG1 VAL 21 2.055 22.697 -1.957 594 3HG1 VAL 21 3HG1 VAL 21 1.801 22.289 -0.261 595 1HG2 VAL 21 1HG2 VAL 21 -0.179 20.122 -3.308 596 2HG2 VAL 21 2HG2 VAL 21 1.475 20.617 -3.670 597 3HG2 VAL 21 3HG2 VAL 21 0.217 21.835 -3.462 598 H ASP 22 H ASP 22 0.615 18.526 0.426 599 HA ASP 22 HA ASP 22 2.341 19.153 2.682 600 1HB ASP 22 2HB ASP 22 0.574 20.016 4.102 601 2HB ASP 22 1HB ASP 22 0.704 21.003 2.651 602 H ALA 23 H ALA 23 1.442 18.048 4.750 603 HA ALA 23 HA ALA 23 1.381 15.307 4.291 604 1HB ALA 23 1HB ALA 23 2.140 16.018 6.394 605 2HB ALA 23 2HB ALA 23 0.615 15.192 6.716 606 3HB ALA 23 3HB ALA 23 0.677 16.954 6.699 607 H ALA 24 H ALA 24 -1.282 17.539 4.961 608 HA ALA 24 HA ALA 24 -3.299 15.574 5.121 609 1HB ALA 24 1HB ALA 24 -3.986 17.624 5.944 610 2HB ALA 24 2HB ALA 24 -4.781 17.591 4.372 611 3HB ALA 24 3HB ALA 24 -3.298 18.520 4.590 612 H THR 25 H THR 25 -2.336 17.671 2.393 613 HA THR 25 HA THR 25 -4.006 16.580 0.462 614 HB THR 25 HB THR 25 -2.328 17.400 -1.164 615 HG1 THR 25 1HG THR 25 -0.351 17.520 -0.597 616 1HG2 THR 25 1HG2 THR 25 -2.081 19.774 -0.237 617 2HG2 THR 25 2HG2 THR 25 -3.058 19.185 1.107 618 3HG2 THR 25 3HG2 THR 25 -3.702 19.148 -0.535 619 H ALA 26 H ALA 26 -0.754 15.650 1.494 620 HA ALA 26 HA ALA 26 -0.386 13.499 -0.275 621 1HB ALA 26 1HB ALA 26 1.495 13.016 0.937 622 2HB ALA 26 2HB ALA 26 0.700 13.294 2.486 623 3HB ALA 26 3HB ALA 26 1.217 14.663 1.502 624 H GLU 27 H GLU 27 -1.546 13.545 3.106 625 HA GLU 27 HA GLU 27 -2.184 10.915 3.458 626 1HB GLU 27 2HB GLU 27 -2.364 12.594 5.223 627 2HB GLU 27 1HB GLU 27 -3.730 13.332 4.400 628 1HG GLU 27 2HG GLU 27 -5.051 11.328 4.747 629 2HG GLU 27 1HG GLU 27 -3.679 10.543 5.525 630 H LYS 28 H LYS 28 -4.236 13.451 2.048 631 HA LYS 28 HA LYS 28 -6.450 11.816 1.478 632 1HB LYS 28 2HB LYS 28 -5.492 14.318 0.069 633 2HB LYS 28 1HB LYS 28 -7.077 13.586 -0.148 634 1HG LYS 28 2HG LYS 28 -5.978 14.799 2.377 635 2HG LYS 28 1HG LYS 28 -7.260 15.448 1.350 636 1HD LYS 28 2HD LYS 28 -8.651 13.507 1.861 637 2HD LYS 28 1HD LYS 28 -7.368 12.848 2.877 638 1HE LYS 28 2HE LYS 28 -9.077 13.948 4.226 639 2HE LYS 28 1HE LYS 28 -7.531 14.786 4.352 640 1HZ LYS 28 1HZ LYS 28 -8.344 16.612 3.357 641 2HZ LYS 28 2HZ LYS 28 -9.843 16.009 3.852 642 3HZ LYS 28 3HZ LYS 28 -9.309 15.746 2.270 643 H VAL 29 H VAL 29 -3.624 12.736 -0.449 644 HA VAL 29 HA VAL 29 -4.312 11.427 -2.817 645 HB VAL 29 HB VAL 29 -1.550 11.863 -1.660 646 1HG1 VAL 29 1HG1 VAL 29 -2.507 10.855 -4.287 647 2HG1 VAL 29 2HG1 VAL 29 -1.084 10.402 -3.348 648 3HG1 VAL 29 3HG1 VAL 29 -1.093 11.910 -4.262 649 1HG2 VAL 29 1HG2 VAL 29 -2.407 13.598 -3.835 650 2HG2 VAL 29 2HG2 VAL 29 -1.659 14.003 -2.290 651 3HG2 VAL 29 3HG2 VAL 29 -3.404 13.764 -2.390 652 H VAL 30 H VAL 30 -2.726 10.266 0.105 653 HA VAL 30 HA VAL 30 -2.136 7.665 -0.901 654 HB VAL 30 HB VAL 30 -2.481 8.596 1.960 655 1HG1 VAL 30 1HG1 VAL 30 -1.505 6.596 2.685 656 2HG1 VAL 30 2HG1 VAL 30 -0.937 6.181 1.067 657 3HG1 VAL 30 3HG1 VAL 30 -2.655 6.084 1.451 658 1HG2 VAL 30 1HG2 VAL 30 -0.669 9.639 0.434 659 2HG2 VAL 30 2HG2 VAL 30 0.141 8.083 0.615 660 3HG2 VAL 30 3HG2 VAL 30 -0.213 9.064 2.037 661 H LYS 31 H LYS 31 -4.720 8.960 1.223 662 HA LYS 31 HA LYS 31 -6.199 6.657 1.557 663 1HB LYS 31 2HB LYS 31 -6.994 9.543 1.395 664 2HB LYS 31 1HB LYS 31 -8.220 8.295 1.562 665 1HG LYS 31 2HG LYS 31 -7.158 7.521 3.617 666 2HG LYS 31 1HG LYS 31 -5.926 8.773 3.451 667 1HD LYS 31 2HD LYS 31 -7.548 10.503 3.740 668 2HD LYS 31 1HD LYS 31 -8.877 9.348 3.644 669 1HE LYS 31 2HE LYS 31 -8.453 10.023 5.952 670 2HE LYS 31 1HE LYS 31 -8.137 8.306 5.718 671 1HZ LYS 31 1HZ LYS 31 -6.369 10.358 6.581 672 2HZ LYS 31 2HZ LYS 31 -5.738 9.549 5.237 673 3HZ LYS 31 3HZ LYS 31 -6.163 8.679 6.622 674 H GLN 32 H GLN 32 -6.197 8.921 -1.139 675 HA GLN 32 HA GLN 32 -8.299 7.695 -2.596 676 1HB GLN 32 2HB GLN 32 -7.436 9.974 -3.089 677 2HB GLN 32 1HB GLN 32 -5.934 9.262 -3.658 678 1HG GLN 32 2HG GLN 32 -7.280 9.826 -5.545 679 2HG GLN 32 1HG GLN 32 -7.199 8.073 -5.410 680 1HE2 GLN 32 1HE2 GLN 32 -9.234 9.316 -3.034 681 2HE2 GLN 32 2HE2 GLN 32 -10.737 9.077 -3.844 682 H PHE 33 H PHE 33 -4.847 7.193 -2.385 683 HA PHE 33 HA PHE 33 -4.401 5.446 -4.496 684 1HB PHE 33 2HB PHE 33 -2.677 6.476 -2.969 685 2HB PHE 33 1HB PHE 33 -3.127 5.289 -1.752 686 HD1 PHE 33 1HD PHE 33 -2.015 5.489 -5.290 687 HD2 PHE 33 2HD PHE 33 -1.921 3.322 -1.615 688 HE1 PHE 33 1HE PHE 33 -0.414 3.890 -6.258 689 HE2 PHE 33 2HE PHE 33 -0.317 1.735 -2.597 690 HZ PHE 33 HZ PHE 33 0.431 2.030 -4.928 691 H PHE 34 H PHE 34 -4.989 4.581 -1.112 692 HA PHE 34 HA PHE 34 -5.466 1.823 -1.655 693 1HB PHE 34 2HB PHE 34 -6.108 3.456 0.802 694 2HB PHE 34 1HB PHE 34 -6.128 1.692 0.708 695 HD1 PHE 34 1HD PHE 34 -3.830 0.959 -0.746 696 HD2 PHE 34 2HD PHE 34 -4.275 4.145 2.033 697 HE1 PHE 34 1HE PHE 34 -1.411 0.920 -0.323 698 HE2 PHE 34 2HE PHE 34 -1.855 4.105 2.471 699 HZ PHE 34 HZ PHE 34 -0.428 2.492 1.281 700 H ASN 35 H ASN 35 -7.556 4.601 -1.132 701 HA ASN 35 HA ASN 35 -10.037 3.396 -0.979 702 1HB ASN 35 2HB ASN 35 -9.678 5.819 -0.766 703 2HB ASN 35 1HB ASN 35 -9.276 5.917 -2.476 704 1HD2 ASN 35 1HD2 ASN 35 -11.513 6.800 -0.500 705 2HD2 ASN 35 2HD2 ASN 35 -12.947 6.560 -1.434 706 H ASP 36 H ASP 36 -8.022 4.053 -3.744 707 HA ASP 36 HA ASP 36 -9.961 2.879 -5.583 708 1HB ASP 36 2HB ASP 36 -7.330 4.274 -6.099 709 2HB ASP 36 1HB ASP 36 -8.375 3.626 -7.359 710 H ASN 37 H ASN 37 -7.002 1.992 -3.974 711 HA ASN 37 HA ASN 37 -6.400 -0.139 -5.841 712 1HB ASN 37 2HB ASN 37 -5.270 0.508 -3.109 713 2HB ASN 37 1HB ASN 37 -4.723 -0.839 -4.100 714 1HD2 ASN 37 1HD2 ASN 37 -3.519 1.783 -3.093 715 2HD2 ASN 37 2HD2 ASN 37 -2.789 2.451 -4.512 716 H GLY 38 H GLY 38 -7.660 0.171 -2.573 717 1HA GLY 38 2HA GLY 38 -8.137 -1.893 -1.280 718 2HA GLY 38 1HA GLY 38 -9.581 -1.117 -1.891 719 H VAL 39 H VAL 39 -10.987 -2.399 -2.805 720 HA VAL 39 HA VAL 39 -10.126 -5.083 -3.596 721 HB VAL 39 HB VAL 39 -12.914 -4.072 -3.120 722 1HG1 VAL 39 1HG1 VAL 39 -13.172 -6.627 -2.636 723 2HG1 VAL 39 2HG1 VAL 39 -11.732 -6.763 -3.642 724 3HG1 VAL 39 3HG1 VAL 39 -13.199 -6.032 -4.295 725 1HG2 VAL 39 1HG2 VAL 39 -12.718 -5.187 -0.915 726 2HG2 VAL 39 2HG2 VAL 39 -11.650 -3.796 -1.094 727 3HG2 VAL 39 3HG2 VAL 39 -10.999 -5.429 -1.230 728 H ASP 40 H ASP 40 -10.758 -2.259 -5.335 729 HA ASP 40 HA ASP 40 -11.752 -3.889 -7.573 730 1HB ASP 40 2HB ASP 40 -12.458 -1.016 -6.949 731 2HB ASP 40 1HB ASP 40 -12.950 -1.889 -8.396 732 H GLY 41 H GLY 41 -8.998 -2.809 -6.626 733 1HA GLY 41 2HA GLY 41 -8.228 -1.009 -8.735 734 2HA GLY 41 1HA GLY 41 -7.160 -1.757 -7.561 735 H GLU 42 H GLU 42 -6.304 -1.492 -10.110 736 HA GLU 42 HA GLU 42 -6.707 -4.064 -11.451 737 1HB GLU 42 2HB GLU 42 -5.152 -1.624 -12.341 738 2HB GLU 42 1HB GLU 42 -5.418 -3.070 -13.303 739 1HG GLU 42 2HG GLU 42 -6.957 -1.493 -14.092 740 2HG GLU 42 1HG GLU 42 -7.891 -2.601 -13.089 741 H TRP 43 H TRP 43 -5.542 -5.574 -10.357 742 HA TRP 43 HA TRP 43 -2.789 -4.955 -9.597 743 1HB TRP 43 2HB TRP 43 -4.542 -7.317 -8.925 744 2HB TRP 43 1HB TRP 43 -2.919 -7.051 -8.306 745 HD1 TRP 43 HD TRP 43 -5.367 -4.100 -8.452 746 HE1 TRP 43 1HE TRP 43 -5.978 -3.451 -6.022 747 HE3 TRP 43 3HE TRP 43 -3.144 -7.975 -5.978 748 HZ2 TRP 43 2HZ TRP 43 -5.573 -4.448 -3.431 749 HZ3 TRP 43 3HZ TRP 43 -3.298 -8.054 -3.532 750 HH2 TRP 43 HH TRP 43 -4.488 -6.327 -2.280 751 H THR 44 H THR 44 -1.121 -5.604 -10.760 752 HA THR 44 HA THR 44 -1.462 -7.869 -12.611 753 HB THR 44 HB THR 44 0.489 -6.911 -13.832 754 HG1 THR 44 1HG THR 44 0.137 -4.672 -12.136 755 1HG2 THR 44 1HG2 THR 44 -2.049 -6.156 -14.124 756 2HG2 THR 44 2HG2 THR 44 -0.727 -5.490 -15.085 757 3HG2 THR 44 3HG2 THR 44 -1.337 -4.602 -13.689 758 H TYR 45 H TYR 45 -0.129 -9.624 -12.395 759 HA TYR 45 HA TYR 45 1.697 -9.567 -10.093 760 1HB TYR 45 2HB TYR 45 -0.108 -11.211 -9.961 761 2HB TYR 45 1HB TYR 45 0.406 -11.917 -11.490 762 HD1 TYR 45 1HD TYR 45 2.286 -10.876 -8.434 763 HD2 TYR 45 2HD TYR 45 1.263 -14.026 -11.102 764 HE1 TYR 45 1HE TYR 45 3.801 -12.386 -7.221 765 HE2 TYR 45 2HE TYR 45 2.770 -15.547 -9.894 766 HH TYR 45 HH TYR 45 3.728 -15.658 -7.479 767 H ASP 46 H ASP 46 3.791 -10.316 -10.207 768 HA ASP 46 HA ASP 46 4.832 -10.873 -12.907 769 1HB ASP 46 2HB ASP 46 5.497 -8.624 -12.193 770 2HB ASP 46 1HB ASP 46 6.173 -9.283 -10.706 771 H ASP 47 H ASP 47 4.555 -13.108 -12.383 772 HA ASP 47 HA ASP 47 5.471 -14.530 -10.245 773 1HB ASP 47 2HB ASP 47 5.669 -15.364 -13.145 774 2HB ASP 47 1HB ASP 47 5.728 -16.452 -11.762 775 H ALA 48 H ALA 48 7.399 -13.283 -12.912 776 HA ALA 48 HA ALA 48 9.758 -14.637 -12.613 777 1HB ALA 48 1HB ALA 48 10.639 -13.111 -14.010 778 2HB ALA 48 2HB ALA 48 10.073 -11.745 -13.049 779 3HB ALA 48 3HB ALA 48 8.963 -12.574 -14.142 780 H THR 49 H THR 49 8.542 -12.043 -10.571 781 HA THR 49 HA THR 49 10.856 -12.487 -8.804 782 HB THR 49 HB THR 49 10.769 -10.095 -8.180 783 HG1 THR 49 1HG THR 49 9.189 -8.909 -8.836 784 1HG2 THR 49 1HG2 THR 49 11.414 -10.964 -10.925 785 2HG2 THR 49 2HG2 THR 49 12.431 -10.209 -9.698 786 3HG2 THR 49 3HG2 THR 49 11.307 -9.227 -10.635 787 H LYS 50 H LYS 50 7.856 -13.318 -8.926 788 HA LYS 50 HA LYS 50 6.137 -13.652 -7.449 789 1HB LYS 50 2HB LYS 50 8.423 -13.357 -5.488 790 2HB LYS 50 1HB LYS 50 6.824 -13.951 -5.066 791 1HG LYS 50 2HG LYS 50 8.662 -15.246 -7.068 792 2HG LYS 50 1HG LYS 50 8.487 -15.744 -5.384 793 1HD LYS 50 2HD LYS 50 6.091 -16.166 -5.789 794 2HD LYS 50 1HD LYS 50 6.321 -15.738 -7.486 795 1HE LYS 50 2HE LYS 50 7.652 -18.015 -6.020 796 2HE LYS 50 1HE LYS 50 6.339 -18.155 -7.190 797 1HZ LYS 50 1HZ LYS 50 8.106 -16.824 -8.639 798 2HZ LYS 50 2HZ LYS 50 8.062 -18.513 -8.579 799 3HZ LYS 50 3HZ LYS 50 9.174 -17.664 -7.630 800 H THR 51 H THR 51 6.673 -10.933 -8.308 801 HA THR 51 HA THR 51 5.860 -9.384 -5.952 802 HB THR 51 HB THR 51 6.973 -8.477 -8.610 803 HG1 THR 51 1HG THR 51 8.122 -8.346 -6.026 804 1HG2 THR 51 1HG2 THR 51 5.468 -6.787 -7.682 805 2HG2 THR 51 2HG2 THR 51 7.152 -6.267 -7.662 806 3HG2 THR 51 3HG2 THR 51 6.381 -6.818 -6.175 807 H PHE 52 H PHE 52 4.102 -7.913 -6.091 808 HA PHE 52 HA PHE 52 2.238 -8.460 -8.308 809 1HB PHE 52 2HB PHE 52 1.479 -8.010 -5.425 810 2HB PHE 52 1HB PHE 52 0.371 -8.274 -6.763 811 HD1 PHE 52 1HD PHE 52 -0.359 -10.414 -7.245 812 HD2 PHE 52 2HD PHE 52 3.181 -9.890 -4.944 813 HE1 PHE 52 1HE PHE 52 -0.279 -12.836 -6.822 814 HE2 PHE 52 2HE PHE 52 3.268 -12.310 -4.521 815 HZ PHE 52 HZ PHE 52 1.538 -13.785 -5.460 816 H THR 53 H THR 53 2.629 -6.661 -9.423 817 HA THR 53 HA THR 53 2.731 -4.058 -8.228 818 HB THR 53 HB THR 53 2.481 -3.318 -10.716 819 HG1 THR 53 1HG THR 53 3.345 -5.968 -11.130 820 1HG2 THR 53 1HG2 THR 53 4.839 -4.647 -9.472 821 2HG2 THR 53 2HG2 THR 53 4.559 -2.937 -9.823 822 3HG2 THR 53 3HG2 THR 53 4.909 -4.066 -11.137 823 H VAL 54 H VAL 54 1.177 -2.756 -7.712 824 HA VAL 54 HA VAL 54 -1.540 -3.275 -8.723 825 HB VAL 54 HB VAL 54 -0.720 -1.821 -6.191 826 1HG1 VAL 54 1HG1 VAL 54 -2.741 -0.865 -6.516 827 2HG1 VAL 54 2HG1 VAL 54 -3.335 -2.397 -5.874 828 3HG1 VAL 54 3HG1 VAL 54 -3.284 -2.132 -7.616 829 1HG2 VAL 54 1HG2 VAL 54 -1.003 -3.721 -5.009 830 2HG2 VAL 54 2HG2 VAL 54 -0.608 -4.487 -6.547 831 3HG2 VAL 54 3HG2 VAL 54 -2.293 -4.311 -6.058 832 H THR 55 H THR 55 -1.628 -2.033 -10.517 833 HA THR 55 HA THR 55 -0.620 0.690 -10.421 834 HB THR 55 HB THR 55 -1.943 -0.585 -12.800 835 HG1 THR 55 1HG THR 55 0.716 -0.876 -11.867 836 1HG2 THR 55 1HG2 THR 55 -1.442 1.796 -12.979 837 2HG2 THR 55 2HG2 THR 55 -0.433 0.838 -14.064 838 3HG2 THR 55 3HG2 THR 55 0.242 1.472 -12.559 839 H GLU 56 H GLU 56 -1.848 2.289 -9.767 840 HA GLU 56 HA GLU 56 -4.532 2.194 -9.153 841 1HB GLU 56 2HB GLU 56 -2.944 3.951 -8.415 842 2HB GLU 56 1HB GLU 56 -2.965 4.626 -10.037 843 1HG GLU 56 2HG GLU 56 -5.363 4.412 -8.230 844 2HG GLU 56 1HG GLU 56 -4.381 5.859 -8.447 Start of MODEL 39 1 1H MET 1 1HT MET 1 7.188 -18.245 3.435 2 2H MET 1 2HT MET 1 6.618 -19.517 2.478 3 3H MET 1 3HT MET 1 5.608 -18.206 2.830 4 HA MET 1 HA MET 1 8.140 -17.916 1.331 5 1HB MET 1 2HB MET 1 6.291 -19.488 0.362 6 2HB MET 1 1HB MET 1 5.415 -17.997 0.063 7 1HG MET 1 2HG MET 1 8.157 -18.635 -0.998 8 2HG MET 1 1HG MET 1 6.653 -18.797 -1.901 9 1HE MET 1 1HE MET 1 8.020 -15.896 -3.806 10 2HE MET 1 2HE MET 1 8.108 -17.641 -3.562 11 3HE MET 1 3HE MET 1 9.328 -16.588 -2.845 12 H GLN 2 H GLN 2 8.578 -15.826 0.840 13 HA GLN 2 HA GLN 2 6.652 -13.802 1.736 14 1HB GLN 2 2HB GLN 2 8.833 -13.734 2.851 15 2HB GLN 2 1HB GLN 2 9.634 -13.584 1.293 16 1HG GLN 2 2HG GLN 2 8.535 -11.431 0.933 17 2HG GLN 2 1HG GLN 2 7.736 -11.582 2.499 18 1HE2 GLN 2 1HE2 GLN 2 8.649 -10.413 4.012 19 2HE2 GLN 2 2HE2 GLN 2 10.334 -10.058 4.157 20 H TYR 3 H TYR 3 5.922 -12.236 0.396 21 HA TYR 3 HA TYR 3 6.873 -12.318 -2.393 22 1HB TYR 3 2HB TYR 3 4.049 -11.844 -1.413 23 2HB TYR 3 1HB TYR 3 4.571 -11.746 -3.092 24 HD1 TYR 3 1HD TYR 3 4.324 -13.614 -4.433 25 HD2 TYR 3 2HD TYR 3 4.589 -14.134 -0.221 26 HE1 TYR 3 1HE TYR 3 3.892 -16.017 -4.708 27 HE2 TYR 3 2HE TYR 3 4.166 -16.539 -0.487 28 HH TYR 3 HH TYR 3 4.317 -18.265 -2.154 29 H LYS 4 H LYS 4 6.952 -10.360 -3.526 30 HA LYS 4 HA LYS 4 6.948 -7.987 -1.779 31 1HB LYS 4 2HB LYS 4 9.135 -8.576 -2.772 32 2HB LYS 4 1HB LYS 4 8.434 -8.425 -4.377 33 1HG LYS 4 2HG LYS 4 8.006 -6.062 -3.987 34 2HG LYS 4 1HG LYS 4 8.667 -6.205 -2.357 35 1HD LYS 4 2HD LYS 4 10.834 -6.868 -3.313 36 2HD LYS 4 1HD LYS 4 10.166 -6.675 -4.935 37 1HE LYS 4 2HE LYS 4 11.457 -4.713 -4.296 38 2HE LYS 4 1HE LYS 4 9.751 -4.306 -4.480 39 1HZ LYS 4 1HZ LYS 4 11.153 -4.797 -1.907 40 2HZ LYS 4 2HZ LYS 4 9.510 -4.432 -2.070 41 3HZ LYS 4 3HZ LYS 4 10.677 -3.287 -2.505 42 H VAL 5 H VAL 5 5.027 -7.014 -1.986 43 HA VAL 5 HA VAL 5 3.762 -6.889 -4.610 44 HB VAL 5 HB VAL 5 2.706 -6.021 -1.915 45 1HG1 VAL 5 1HG1 VAL 5 1.586 -4.740 -3.566 46 2HG1 VAL 5 2HG1 VAL 5 0.498 -6.061 -3.142 47 3HG1 VAL 5 3HG1 VAL 5 1.429 -6.131 -4.638 48 1HG2 VAL 5 1HG2 VAL 5 2.540 -8.239 -1.617 49 2HG2 VAL 5 2HG2 VAL 5 2.755 -8.587 -3.333 50 3HG2 VAL 5 3HG2 VAL 5 1.170 -8.113 -2.720 51 H ILE 6 H ILE 6 4.015 -5.252 -5.871 52 HA ILE 6 HA ILE 6 5.061 -2.719 -4.853 53 HB ILE 6 HB ILE 6 4.801 -3.782 -7.669 54 1HG1 ILE 6 2HG1 ILE 6 7.215 -3.242 -5.927 55 2HG1 ILE 6 1HG1 ILE 6 6.565 -4.829 -6.322 56 1HG2 ILE 6 1HG2 ILE 6 6.471 -1.634 -7.844 57 2HG2 ILE 6 2HG2 ILE 6 5.273 -1.068 -6.679 58 3HG2 ILE 6 3HG2 ILE 6 4.760 -1.626 -8.272 59 1HD1 ILE 6 1HD1 ILE 6 8.492 -4.384 -7.678 60 2HD1 ILE 6 2HD1 ILE 6 7.798 -2.861 -8.233 61 3HD1 ILE 6 3HD1 ILE 6 7.055 -4.391 -8.701 62 H LEU 7 H LEU 7 3.819 -0.996 -4.613 63 HA LEU 7 HA LEU 7 1.122 -1.014 -5.786 64 1HB LEU 7 2HB LEU 7 2.102 0.795 -3.583 65 2HB LEU 7 1HB LEU 7 0.444 0.405 -4.009 66 HG LEU 7 HG LEU 7 2.427 -1.472 -2.737 67 1HD1 LEU 7 1HD1 LEU 7 1.237 -1.219 -0.746 68 2HD1 LEU 7 2HD1 LEU 7 -0.136 -0.457 -1.554 69 3HD1 LEU 7 3HD1 LEU 7 1.381 0.423 -1.370 70 1HD2 LEU 7 1HD2 LEU 7 -0.494 -1.985 -3.214 71 2HD2 LEU 7 2HD2 LEU 7 0.769 -3.130 -2.755 72 3HD2 LEU 7 3HD2 LEU 7 0.741 -2.451 -4.381 73 H ASN 8 H ASN 8 1.564 -0.180 -7.827 74 HA ASN 8 HA ASN 8 3.012 2.353 -7.992 75 1HB ASN 8 2HB ASN 8 3.624 0.405 -9.450 76 2HB ASN 8 1HB ASN 8 2.060 0.576 -10.238 77 1HD2 ASN 8 1HD2 ASN 8 5.132 1.113 -10.743 78 2HD2 ASN 8 2HD2 ASN 8 5.082 2.570 -11.672 79 H GLY 9 H GLY 9 1.774 4.124 -7.768 80 1HA GLY 9 2HA GLY 9 -0.810 4.153 -9.198 81 2HA GLY 9 1HA GLY 9 -0.536 5.007 -7.690 82 H LYS 10 H LYS 10 -1.408 6.799 -9.011 83 HA LYS 10 HA LYS 10 0.290 7.895 -11.054 84 1HB LYS 10 2HB LYS 10 -2.234 8.821 -9.710 85 2HB LYS 10 1HB LYS 10 -1.345 9.879 -10.789 86 1HG LYS 10 2HG LYS 10 -2.396 7.171 -11.563 87 2HG LYS 10 1HG LYS 10 -3.236 8.689 -11.861 88 1HD LYS 10 2HD LYS 10 -0.451 8.136 -12.857 89 2HD LYS 10 1HD LYS 10 -1.896 7.735 -13.788 90 1HE LYS 10 2HE LYS 10 -1.197 9.843 -14.569 91 2HE LYS 10 1HE LYS 10 -2.576 10.151 -13.518 92 1HZ LYS 10 1HZ LYS 10 -1.325 11.305 -12.092 93 2HZ LYS 10 2HZ LYS 10 -0.211 11.419 -13.361 94 3HZ LYS 10 3HZ LYS 10 -0.024 10.226 -12.177 95 H THR 11 H THR 11 -0.780 9.057 -7.857 96 HA THR 11 HA THR 11 1.541 10.831 -7.752 97 HB THR 11 HB THR 11 0.194 11.749 -5.748 98 HG1 THR 11 1HG THR 11 -1.236 9.894 -5.744 99 1HG2 THR 11 1HG2 THR 11 0.309 13.045 -7.759 100 2HG2 THR 11 2HG2 THR 11 -1.358 13.028 -7.182 101 3HG2 THR 11 3HG2 THR 11 -0.885 12.008 -8.540 102 H LEU 12 H LEU 12 0.869 7.780 -6.867 103 HA LEU 12 HA LEU 12 2.620 7.981 -4.537 104 1HB LEU 12 2HB LEU 12 0.349 7.829 -3.679 105 2HB LEU 12 1HB LEU 12 0.065 6.387 -4.635 106 HG LEU 12 HG LEU 12 1.606 5.120 -3.314 107 1HD1 LEU 12 1HD1 LEU 12 3.381 6.165 -2.494 108 2HD1 LEU 12 2HD1 LEU 12 2.342 6.764 -1.200 109 3HD1 LEU 12 3HD1 LEU 12 2.606 7.736 -2.644 110 1HD2 LEU 12 1HD2 LEU 12 0.124 4.796 -1.687 111 2HD2 LEU 12 2HD2 LEU 12 -0.761 6.169 -2.351 112 3HD2 LEU 12 3HD2 LEU 12 0.380 6.411 -1.028 113 H LYS 13 H LYS 13 4.086 6.418 -4.316 114 HA LYS 13 HA LYS 13 3.916 3.989 -5.921 115 1HB LYS 13 2HB LYS 13 6.248 5.910 -6.086 116 2HB LYS 13 1HB LYS 13 6.212 4.302 -6.795 117 1HG LYS 13 2HG LYS 13 4.395 4.966 -8.263 118 2HG LYS 13 1HG LYS 13 4.366 6.568 -7.526 119 1HD LYS 13 2HD LYS 13 6.697 5.363 -9.019 120 2HD LYS 13 1HD LYS 13 5.575 6.562 -9.664 121 1HE LYS 13 2HE LYS 13 6.267 8.130 -7.902 122 2HE LYS 13 1HE LYS 13 7.411 6.932 -7.297 123 1HZ LYS 13 1HZ LYS 13 7.480 8.061 -10.042 124 2HZ LYS 13 2HZ LYS 13 8.636 7.054 -9.328 125 3HZ LYS 13 3HZ LYS 13 8.421 8.630 -8.755 126 H GLY 14 H GLY 14 5.059 2.256 -5.015 127 1HA GLY 14 2HA GLY 14 7.022 2.574 -2.998 128 2HA GLY 14 1HA GLY 14 5.454 2.309 -2.254 129 H GLU 15 H GLU 15 6.919 0.485 -1.457 130 HA GLU 15 HA GLU 15 6.270 -1.877 -3.046 131 1HB GLU 15 2HB GLU 15 8.997 -1.453 -1.808 132 2HB GLU 15 1HB GLU 15 8.464 -2.868 -2.700 133 1HG GLU 15 2HG GLU 15 9.619 -1.826 -4.342 134 2HG GLU 15 1HG GLU 15 8.048 -1.066 -4.591 135 H THR 16 H THR 16 5.582 -3.554 -1.850 136 HA THR 16 HA THR 16 5.991 -3.479 1.048 137 HB THR 16 HB THR 16 3.866 -2.580 1.022 138 HG1 THR 16 1HG THR 16 3.275 -5.321 0.882 139 1HG2 THR 16 1HG2 THR 16 3.113 -4.378 -1.262 140 2HG2 THR 16 2HG2 THR 16 3.426 -2.647 -1.360 141 3HG2 THR 16 3HG2 THR 16 2.040 -3.245 -0.447 142 H THR 17 H THR 17 5.294 -5.610 2.092 143 HA THR 17 HA THR 17 5.556 -7.872 0.258 144 HB THR 17 HB THR 17 7.309 -8.881 1.722 145 HG1 THR 17 1HG THR 17 7.028 -7.649 3.575 146 1HG2 THR 17 1HG2 THR 17 9.165 -7.274 1.044 147 2HG2 THR 17 2HG2 THR 17 7.893 -6.336 0.263 148 3HG2 THR 17 3HG2 THR 17 8.196 -7.999 -0.239 149 H THR 18 H THR 18 4.046 -9.288 0.680 150 HA THR 18 HA THR 18 3.017 -9.597 3.437 151 HB THR 18 HB THR 18 1.355 -8.937 1.712 152 HG1 THR 18 1HG THR 18 0.765 -10.287 3.493 153 1HG2 THR 18 1HG2 THR 18 2.145 -9.933 -0.286 154 2HG2 THR 18 2HG2 THR 18 0.604 -10.697 0.108 155 3HG2 THR 18 3HG2 THR 18 2.117 -11.544 0.432 156 H GLU 19 H GLU 19 2.900 -11.654 4.344 157 HA GLU 19 HA GLU 19 4.522 -13.722 3.010 158 1HB GLU 19 2HB GLU 19 5.285 -13.013 5.238 159 2HB GLU 19 1HB GLU 19 3.715 -13.420 5.916 160 1HG GLU 19 2HG GLU 19 5.233 -15.169 6.451 161 2HG GLU 19 1HG GLU 19 4.100 -15.779 5.244 162 H ALA 20 H ALA 20 3.333 -15.244 1.954 163 HA ALA 20 HA ALA 20 1.048 -16.403 3.335 164 1HB ALA 20 1HB ALA 20 0.684 -15.506 0.499 165 2HB ALA 20 2HB ALA 20 0.294 -14.461 1.864 166 3HB ALA 20 3HB ALA 20 -0.538 -16.003 1.670 167 H VAL 21 H VAL 21 0.404 -18.414 2.582 168 HA VAL 21 HA VAL 21 2.358 -20.219 1.907 169 HB VAL 21 HB VAL 21 -0.553 -20.568 1.197 170 1HG1 VAL 21 1HG1 VAL 21 1.037 -22.805 2.249 171 2HG1 VAL 21 2HG1 VAL 21 1.503 -22.232 0.647 172 3HG1 VAL 21 3HG1 VAL 21 -0.151 -22.766 0.947 173 1HG2 VAL 21 1HG2 VAL 21 -0.734 -19.958 3.404 174 2HG2 VAL 21 2HG2 VAL 21 0.854 -20.600 3.827 175 3HG2 VAL 21 3HG2 VAL 21 -0.498 -21.700 3.555 176 H ASP 22 H ASP 22 0.270 -18.430 -0.291 177 HA ASP 22 HA ASP 22 2.046 -19.150 -2.483 178 1HB ASP 22 2HB ASP 22 0.289 -19.905 -3.975 179 2HB ASP 22 1HB ASP 22 0.301 -20.899 -2.522 180 H ALA 23 H ALA 23 1.316 -17.983 -4.575 181 HA ALA 23 HA ALA 23 1.388 -15.241 -4.099 182 1HB ALA 23 1HB ALA 23 1.932 -15.245 -6.248 183 2HB ALA 23 2HB ALA 23 0.287 -15.708 -6.683 184 3HB ALA 23 3HB ALA 23 1.491 -16.949 -6.347 185 H ALA 24 H ALA 24 -1.347 -17.330 -4.906 186 HA ALA 24 HA ALA 24 -3.262 -15.276 -5.170 187 1HB ALA 24 1HB ALA 24 -4.768 -17.351 -4.312 188 2HB ALA 24 2HB ALA 24 -3.321 -18.208 -4.837 189 3HB ALA 24 3HB ALA 24 -4.195 -17.177 -5.970 190 H THR 25 H THR 25 -2.565 -17.424 -2.406 191 HA THR 25 HA THR 25 -4.255 -16.260 -0.557 192 HB THR 25 HB THR 25 -2.589 -17.096 1.145 193 HG1 THR 25 1HG THR 25 -0.724 -16.794 -0.156 194 1HG2 THR 25 1HG2 THR 25 -2.558 -19.530 -0.004 195 2HG2 THR 25 2HG2 THR 25 -3.857 -18.753 -0.911 196 3HG2 THR 25 3HG2 THR 25 -3.944 -18.850 0.848 197 H ALA 26 H ALA 26 -0.942 -15.407 -1.460 198 HA ALA 26 HA ALA 26 -0.604 -13.280 0.348 199 1HB ALA 26 1HB ALA 26 0.851 -14.426 -1.809 200 2HB ALA 26 2HB ALA 26 1.425 -13.309 -0.571 201 3HB ALA 26 3HB ALA 26 0.760 -12.686 -2.080 202 H GLU 27 H GLU 27 -1.676 -13.321 -3.062 203 HA GLU 27 HA GLU 27 -2.172 -10.651 -3.431 204 1HB GLU 27 2HB GLU 27 -2.316 -12.319 -5.214 205 2HB GLU 27 1HB GLU 27 -3.768 -12.989 -4.482 206 1HG GLU 27 2HG GLU 27 -4.946 -10.891 -4.877 207 2HG GLU 27 1HG GLU 27 -3.489 -10.209 -5.602 208 H LYS 28 H LYS 28 -4.426 -13.113 -2.171 209 HA LYS 28 HA LYS 28 -6.553 -11.310 -1.715 210 1HB LYS 28 2HB LYS 28 -5.895 -14.067 -0.731 211 2HB LYS 28 1HB LYS 28 -7.259 -13.188 -0.049 212 1HG LYS 28 2HG LYS 28 -7.708 -14.782 -1.995 213 2HG LYS 28 1HG LYS 28 -8.416 -13.169 -2.070 214 1HD LYS 28 2HD LYS 28 -6.610 -12.426 -3.530 215 2HD LYS 28 1HD LYS 28 -5.865 -14.024 -3.435 216 1HE LYS 28 2HE LYS 28 -7.123 -13.757 -5.511 217 2HE LYS 28 1HE LYS 28 -7.826 -15.015 -4.494 218 1HZ LYS 28 1HZ LYS 28 -9.485 -13.409 -3.744 219 2HZ LYS 28 2HZ LYS 28 -9.541 -13.614 -5.421 220 3HZ LYS 28 3HZ LYS 28 -8.825 -12.232 -4.764 221 H VAL 29 H VAL 29 -3.981 -12.546 0.411 222 HA VAL 29 HA VAL 29 -4.803 -11.315 2.770 223 HB VAL 29 HB VAL 29 -1.974 -11.789 1.801 224 1HG1 VAL 29 1HG1 VAL 29 -1.402 -11.734 4.227 225 2HG1 VAL 29 2HG1 VAL 29 -3.029 -11.127 4.543 226 3HG1 VAL 29 3HG1 VAL 29 -1.910 -10.177 3.569 227 1HG2 VAL 29 1HG2 VAL 29 -3.094 -13.509 3.891 228 2HG2 VAL 29 2HG2 VAL 29 -2.150 -13.926 2.462 229 3HG2 VAL 29 3HG2 VAL 29 -3.887 -13.660 2.325 230 H VAL 30 H VAL 30 -2.935 -10.086 0.052 231 HA VAL 30 HA VAL 30 -2.371 -7.538 1.170 232 HB VAL 30 HB VAL 30 -2.681 -8.172 -1.769 233 1HG1 VAL 30 1HG1 VAL 30 -2.440 -5.759 -0.789 234 2HG1 VAL 30 2HG1 VAL 30 -1.504 -6.236 -2.205 235 3HG1 VAL 30 3HG1 VAL 30 -0.746 -6.214 -0.614 236 1HG2 VAL 30 1HG2 VAL 30 -0.924 -9.413 -0.003 237 2HG2 VAL 30 2HG2 VAL 30 0.043 -8.168 -0.796 238 3HG2 VAL 30 3HG2 VAL 30 -0.806 -9.374 -1.762 239 H LYS 31 H LYS 31 -4.944 -8.756 -1.002 240 HA LYS 31 HA LYS 31 -6.370 -6.461 -1.465 241 1HB LYS 31 2HB LYS 31 -7.438 -9.216 -0.848 242 2HB LYS 31 1HB LYS 31 -8.432 -7.892 -1.432 243 1HG LYS 31 2HG LYS 31 -7.132 -7.802 -3.480 244 2HG LYS 31 1HG LYS 31 -6.108 -9.113 -2.895 245 1HD LYS 31 2HD LYS 31 -7.652 -10.184 -4.287 246 2HD LYS 31 1HD LYS 31 -8.286 -10.447 -2.658 247 1HE LYS 31 2HE LYS 31 -9.185 -8.202 -4.455 248 2HE LYS 31 1HE LYS 31 -9.986 -9.770 -4.387 249 1HZ LYS 31 1HZ LYS 31 -9.903 -9.120 -1.801 250 2HZ LYS 31 2HZ LYS 31 -11.205 -8.757 -2.818 251 3HZ LYS 31 3HZ LYS 31 -10.036 -7.580 -2.491 252 H GLN 32 H GLN 32 -6.628 -8.637 1.292 253 HA GLN 32 HA GLN 32 -8.590 -7.250 2.722 254 1HB GLN 32 2HB GLN 32 -7.564 -9.594 3.108 255 2HB GLN 32 1HB GLN 32 -6.341 -8.748 4.044 256 1HG GLN 32 2HG GLN 32 -7.909 -8.021 5.633 257 2HG GLN 32 1HG GLN 32 -9.273 -8.451 4.598 258 1HE2 GLN 32 1HE2 GLN 32 -9.924 -10.563 4.448 259 2HE2 GLN 32 2HE2 GLN 32 -9.375 -11.796 5.528 260 H PHE 33 H PHE 33 -5.112 -6.894 2.549 261 HA PHE 33 HA PHE 33 -4.609 -5.143 4.641 262 1HB PHE 33 2HB PHE 33 -2.938 -6.255 3.094 263 2HB PHE 33 1HB PHE 33 -3.335 -5.032 1.895 264 HD1 PHE 33 1HD PHE 33 -2.190 -5.342 5.417 265 HD2 PHE 33 2HD PHE 33 -2.058 -3.120 1.780 266 HE1 PHE 33 1HE PHE 33 -0.487 -3.850 6.380 267 HE2 PHE 33 2HE PHE 33 -0.354 -1.634 2.751 268 HZ PHE 33 HZ PHE 33 0.428 -2.008 5.057 269 H PHE 34 H PHE 34 -5.031 -4.225 1.249 270 HA PHE 34 HA PHE 34 -5.485 -1.472 1.771 271 1HB PHE 34 2HB PHE 34 -6.195 -3.078 -0.689 272 2HB PHE 34 1HB PHE 34 -6.080 -1.317 -0.595 273 HD1 PHE 34 1HD PHE 34 -3.759 -0.702 0.808 274 HD2 PHE 34 2HD PHE 34 -4.404 -3.969 -1.838 275 HE1 PHE 34 1HE PHE 34 -1.339 -0.854 0.421 276 HE2 PHE 34 2HE PHE 34 -1.981 -4.123 -2.238 277 HZ PHE 34 HZ PHE 34 -0.452 -2.568 -1.087 278 H ASN 35 H ASN 35 -7.616 -4.210 1.272 279 HA ASN 35 HA ASN 35 -10.083 -2.990 1.067 280 1HB ASN 35 2HB ASN 35 -9.688 -5.431 0.931 281 2HB ASN 35 1HB ASN 35 -9.378 -5.467 2.662 282 1HD2 ASN 35 1HD2 ASN 35 -11.482 -6.487 0.652 283 2HD2 ASN 35 2HD2 ASN 35 -12.974 -6.192 1.474 284 H ASP 36 H ASP 36 -8.105 -3.619 3.870 285 HA ASP 36 HA ASP 36 -10.038 -2.373 5.668 286 1HB ASP 36 2HB ASP 36 -7.419 -3.765 6.261 287 2HB ASP 36 1HB ASP 36 -8.526 -3.131 7.476 288 H ASN 37 H ASN 37 -7.069 -1.583 4.048 289 HA ASN 37 HA ASN 37 -6.420 0.568 5.879 290 1HB ASN 37 2HB ASN 37 -5.246 -0.145 3.181 291 2HB ASN 37 1HB ASN 37 -4.639 1.127 4.235 292 1HD2 ASN 37 1HD2 ASN 37 -3.599 -1.565 3.196 293 2HD2 ASN 37 2HD2 ASN 37 -2.980 -2.316 4.627 294 H GLY 38 H GLY 38 -7.611 0.236 2.580 295 1HA GLY 38 2HA GLY 38 -7.911 2.349 1.268 296 2HA GLY 38 1HA GLY 38 -9.407 1.585 1.754 297 H VAL 39 H VAL 39 -10.855 2.819 2.699 298 HA VAL 39 HA VAL 39 -10.020 5.482 3.646 299 HB VAL 39 HB VAL 39 -12.754 4.589 2.801 300 1HG1 VAL 39 1HG1 VAL 39 -11.585 7.137 3.718 301 2HG1 VAL 39 2HG1 VAL 39 -13.235 6.529 3.855 302 3HG1 VAL 39 3HG1 VAL 39 -12.682 7.243 2.340 303 1HG2 VAL 39 1HG2 VAL 39 -10.807 6.145 1.114 304 2HG2 VAL 39 2HG2 VAL 39 -12.363 5.464 0.634 305 3HG2 VAL 39 3HG2 VAL 39 -11.007 4.397 0.997 306 H ASP 40 H ASP 40 -10.767 2.633 5.139 307 HA ASP 40 HA ASP 40 -12.216 4.050 7.269 308 1HB ASP 40 2HB ASP 40 -12.494 1.150 6.464 309 2HB ASP 40 1HB ASP 40 -13.286 1.900 7.847 310 H GLY 41 H GLY 41 -9.252 3.122 6.615 311 1HA GLY 41 2HA GLY 41 -8.686 1.507 8.956 312 2HA GLY 41 1HA GLY 41 -7.517 2.086 7.781 313 H GLU 42 H GLU 42 -6.566 2.256 10.154 314 HA GLU 42 HA GLU 42 -7.155 4.927 11.230 315 1HB GLU 42 2HB GLU 42 -5.603 2.642 12.469 316 2HB GLU 42 1HB GLU 42 -5.908 4.196 13.234 317 1HG GLU 42 2HG GLU 42 -7.462 2.712 14.164 318 2HG GLU 42 1HG GLU 42 -8.369 3.684 13.008 319 H TRP 43 H TRP 43 -5.958 6.383 10.139 320 HA TRP 43 HA TRP 43 -3.220 5.731 9.392 321 1HB TRP 43 2HB TRP 43 -4.950 8.120 8.746 322 2HB TRP 43 1HB TRP 43 -3.322 7.858 8.128 323 HD1 TRP 43 HD TRP 43 -6.440 5.522 8.235 324 HE1 TRP 43 1HE TRP 43 -6.776 4.576 5.862 325 HE3 TRP 43 3HE TRP 43 -2.605 7.916 5.866 326 HZ2 TRP 43 2HZ TRP 43 -5.566 4.820 3.320 327 HZ3 TRP 43 3HZ TRP 43 -2.258 7.508 3.471 328 HH2 TRP 43 HH TRP 43 -3.710 5.989 2.221 329 H THR 44 H THR 44 -1.575 6.232 10.659 330 HA THR 44 HA THR 44 -1.820 8.552 12.459 331 HB THR 44 HB THR 44 -0.026 7.450 13.803 332 HG1 THR 44 1HG THR 44 0.699 6.126 11.982 333 1HG2 THR 44 1HG2 THR 44 -2.725 6.753 13.731 334 2HG2 THR 44 2HG2 THR 44 -1.580 6.498 15.049 335 3HG2 THR 44 3HG2 THR 44 -1.840 5.233 13.847 336 H TYR 45 H TYR 45 -0.278 10.152 12.352 337 HA TYR 45 HA TYR 45 1.701 9.866 10.190 338 1HB TYR 45 2HB TYR 45 -0.044 11.607 9.875 339 2HB TYR 45 1HB TYR 45 0.532 12.410 11.330 340 HD1 TYR 45 1HD TYR 45 2.635 10.835 8.713 341 HD2 TYR 45 2HD TYR 45 1.244 14.470 10.430 342 HE1 TYR 45 1HE TYR 45 4.263 12.087 7.362 343 HE2 TYR 45 2HE TYR 45 2.868 15.733 9.081 344 HH TYR 45 HH TYR 45 4.223 14.819 6.500 345 H ASP 46 H ASP 46 3.814 10.535 10.474 346 HA ASP 46 HA ASP 46 4.623 11.140 13.242 347 1HB ASP 46 2HB ASP 46 5.226 8.833 12.655 348 2HB ASP 46 1HB ASP 46 6.089 9.412 11.232 349 H ASP 47 H ASP 47 4.537 13.375 12.644 350 HA ASP 47 HA ASP 47 5.708 14.673 10.555 351 1HB ASP 47 2HB ASP 47 5.732 15.570 13.445 352 2HB ASP 47 1HB ASP 47 5.976 16.616 12.049 353 H ALA 48 H ALA 48 7.340 13.354 13.378 354 HA ALA 48 HA ALA 48 9.793 14.557 13.253 355 1HB ALA 48 1HB ALA 48 10.461 11.965 13.874 356 2HB ALA 48 2HB ALA 48 8.755 12.056 14.309 357 3HB ALA 48 3HB ALA 48 9.905 13.194 15.011 358 H THR 49 H THR 49 8.600 11.971 11.180 359 HA THR 49 HA THR 49 11.032 12.294 9.550 360 HB THR 49 HB THR 49 10.907 9.894 8.978 361 HG1 THR 49 1HG THR 49 9.468 8.582 9.945 362 1HG2 THR 49 1HG2 THR 49 12.029 10.915 11.199 363 2HG2 THR 49 2HG2 THR 49 12.144 9.222 10.717 364 3HG2 THR 49 3HG2 THR 49 10.939 9.722 11.905 365 H LYS 50 H LYS 50 8.064 13.229 9.477 366 HA LYS 50 HA LYS 50 6.440 13.577 7.895 367 1HB LYS 50 2HB LYS 50 8.780 13.140 6.025 368 2HB LYS 50 1HB LYS 50 7.251 13.882 5.581 369 1HG LYS 50 2HG LYS 50 9.162 14.978 7.633 370 2HG LYS 50 1HG LYS 50 9.059 15.512 5.955 371 1HD LYS 50 2HD LYS 50 6.845 15.664 8.000 372 2HD LYS 50 1HD LYS 50 7.834 17.015 7.441 373 1HE LYS 50 2HE LYS 50 6.984 16.671 5.163 374 2HE LYS 50 1HE LYS 50 5.971 15.352 5.750 375 1HZ LYS 50 1HZ LYS 50 5.752 18.016 6.980 376 2HZ LYS 50 2HZ LYS 50 4.591 16.793 6.865 377 3HZ LYS 50 3HZ LYS 50 4.985 17.715 5.503 378 H THR 51 H THR 51 6.855 10.865 8.840 379 HA THR 51 HA THR 51 6.078 9.304 6.475 380 HB THR 51 HB THR 51 7.209 8.380 9.122 381 HG1 THR 51 1HG THR 51 8.394 8.338 6.553 382 1HG2 THR 51 1HG2 THR 51 7.230 6.202 8.390 383 2HG2 THR 51 2HG2 THR 51 7.025 6.656 6.700 384 3HG2 THR 51 3HG2 THR 51 5.664 6.771 7.814 385 H PHE 52 H PHE 52 4.343 7.871 6.588 386 HA PHE 52 HA PHE 52 2.433 8.362 8.786 387 1HB PHE 52 2HB PHE 52 1.789 7.744 5.891 388 2HB PHE 52 1HB PHE 52 0.618 8.024 7.174 389 HD1 PHE 52 1HD PHE 52 -0.185 10.162 7.573 390 HD2 PHE 52 2HD PHE 52 3.389 9.658 5.319 391 HE1 PHE 52 1HE PHE 52 -0.200 12.559 7.022 392 HE2 PHE 52 2HE PHE 52 3.382 12.055 4.766 393 HZ PHE 52 HZ PHE 52 1.587 13.510 5.617 394 H THR 53 H THR 53 1.622 6.568 9.800 395 HA THR 53 HA THR 53 2.411 3.978 8.654 396 HB THR 53 HB THR 53 2.027 3.186 11.105 397 HG1 THR 53 1HG THR 53 2.345 4.733 12.631 398 1HG2 THR 53 1HG2 THR 53 4.180 2.851 10.644 399 2HG2 THR 53 2HG2 THR 53 4.421 4.307 11.616 400 3HG2 THR 53 3HG2 THR 53 4.367 4.419 9.857 401 H VAL 54 H VAL 54 0.676 3.554 7.438 402 HA VAL 54 HA VAL 54 -2.007 3.669 8.526 403 HB VAL 54 HB VAL 54 -1.067 2.479 5.906 404 1HG1 VAL 54 1HG1 VAL 54 -3.205 2.035 5.389 405 2HG1 VAL 54 2HG1 VAL 54 -3.799 3.516 6.137 406 3HG1 VAL 54 3HG1 VAL 54 -3.467 2.099 7.131 407 1HG2 VAL 54 1HG2 VAL 54 -1.771 5.261 6.708 408 2HG2 VAL 54 2HG2 VAL 54 -2.201 4.705 5.091 409 3HG2 VAL 54 3HG2 VAL 54 -0.516 4.687 5.611 410 H THR 55 H THR 55 -2.786 2.097 9.786 411 HA THR 55 HA THR 55 -1.398 -0.426 9.917 412 HB THR 55 HB THR 55 -3.858 0.374 11.465 413 HG1 THR 55 1HG THR 55 -1.121 0.817 12.068 414 1HG2 THR 55 1HG2 THR 55 -2.672 -1.085 13.196 415 2HG2 THR 55 2HG2 THR 55 -1.733 -1.701 11.834 416 3HG2 THR 55 3HG2 THR 55 -3.488 -1.891 11.856 417 H GLU 56 H GLU 56 -2.520 -2.444 9.959 418 HA GLU 56 HA GLU 56 -4.005 -2.877 7.573 419 1HB GLU 56 2HB GLU 56 -4.334 -5.215 8.556 420 2HB GLU 56 1HB GLU 56 -2.690 -4.690 8.233 421 1HG GLU 56 2HG GLU 56 -2.784 -5.831 10.327 422 2HG GLU 56 1HG GLU 56 -2.425 -4.137 10.609 423 1H MET 1 1HT MET 1 7.677 18.117 -3.241 424 2H MET 1 2HT MET 1 7.123 19.402 -2.293 425 3H MET 1 3HT MET 1 6.088 18.117 -2.659 426 HA MET 1 HA MET 1 8.591 17.766 -1.123 427 1HB MET 1 2HB MET 1 6.766 19.384 -0.181 428 2HB MET 1 1HB MET 1 5.850 17.912 0.106 429 1HG MET 1 2HG MET 1 8.592 18.484 1.206 430 2HG MET 1 1HG MET 1 7.081 18.683 2.088 431 1HE MET 1 1HE MET 1 8.350 15.749 4.011 432 2HE MET 1 2HE MET 1 8.483 17.492 3.769 433 3HE MET 1 3HE MET 1 9.687 16.410 3.068 434 H GLN 2 H GLN 2 8.971 15.665 -0.627 435 HA GLN 2 HA GLN 2 7.008 13.689 -1.550 436 1HB GLN 2 2HB GLN 2 9.203 13.567 -2.633 437 2HB GLN 2 1HB GLN 2 9.980 13.397 -1.065 438 1HG GLN 2 2HG GLN 2 8.822 11.274 -0.723 439 2HG GLN 2 1HG GLN 2 8.050 11.443 -2.297 440 1HE2 GLN 2 1HE2 GLN 2 8.956 10.253 -3.799 441 2HE2 GLN 2 2HE2 GLN 2 10.633 9.855 -3.920 442 H TYR 3 H TYR 3 6.222 12.141 -0.221 443 HA TYR 3 HA TYR 3 7.135 12.201 2.581 444 1HB TYR 3 2HB TYR 3 4.316 11.795 1.562 445 2HB TYR 3 1HB TYR 3 4.811 11.685 3.249 446 HD1 TYR 3 1HD TYR 3 4.589 13.558 4.585 447 HD2 TYR 3 2HD TYR 3 4.927 14.070 0.377 448 HE1 TYR 3 1HE TYR 3 4.215 15.971 4.855 449 HE2 TYR 3 2HE TYR 3 4.559 16.486 0.637 450 HH TYR 3 HH TYR 3 4.729 18.207 2.308 451 H LYS 4 H LYS 4 7.152 10.241 3.714 452 HA LYS 4 HA LYS 4 7.114 7.870 1.968 453 1HB LYS 4 2HB LYS 4 9.301 8.405 2.992 454 2HB LYS 4 1HB LYS 4 8.573 8.271 4.587 455 1HG LYS 4 2HG LYS 4 8.095 5.920 4.191 456 2HG LYS 4 1HG LYS 4 8.781 6.045 2.569 457 1HD LYS 4 2HD LYS 4 10.951 6.656 3.557 458 2HD LYS 4 1HD LYS 4 10.253 6.479 5.168 459 1HE LYS 4 2HE LYS 4 11.506 4.488 4.547 460 2HE LYS 4 1HE LYS 4 9.788 4.121 4.707 461 1HZ LYS 4 1HZ LYS 4 11.238 4.578 2.154 462 2HZ LYS 4 2HZ LYS 4 9.585 4.252 2.295 463 3HZ LYS 4 3HZ LYS 4 10.717 3.081 2.746 464 H VAL 5 H VAL 5 5.167 6.942 2.148 465 HA VAL 5 HA VAL 5 3.861 6.850 4.752 466 HB VAL 5 HB VAL 5 2.822 6.006 2.045 467 1HG1 VAL 5 1HG1 VAL 5 1.651 4.754 3.679 468 2HG1 VAL 5 2HG1 VAL 5 0.601 6.101 3.239 469 3HG1 VAL 5 3HG1 VAL 5 1.512 6.147 4.748 470 1HG2 VAL 5 1HG2 VAL 5 2.716 8.228 1.743 471 2HG2 VAL 5 2HG2 VAL 5 2.915 8.570 3.462 472 3HG2 VAL 5 3HG2 VAL 5 1.328 8.136 2.827 473 H ILE 6 H ILE 6 4.057 5.206 6.018 474 HA ILE 6 HA ILE 6 5.057 2.649 5.015 475 HB ILE 6 HB ILE 6 4.782 3.717 7.826 476 1HG1 ILE 6 2HG1 ILE 6 7.209 3.119 6.119 477 2HG1 ILE 6 1HG1 ILE 6 6.592 4.723 6.505 478 1HG2 ILE 6 1HG2 ILE 6 6.397 1.531 8.024 479 2HG2 ILE 6 2HG2 ILE 6 5.203 0.993 6.843 480 3HG2 ILE 6 3HG2 ILE 6 4.680 1.563 8.428 481 1HD1 ILE 6 1HD1 ILE 6 8.488 4.229 7.888 482 2HD1 ILE 6 2HD1 ILE 6 7.748 2.724 8.433 483 3HD1 ILE 6 3HD1 ILE 6 7.038 4.273 8.890 484 H LEU 7 H LEU 7 3.776 0.958 4.757 485 HA LEU 7 HA LEU 7 1.063 1.041 5.891 486 1HB LEU 7 2HB LEU 7 2.030 -0.793 3.702 487 2HB LEU 7 1HB LEU 7 0.377 -0.364 4.104 488 HG LEU 7 HG LEU 7 2.423 1.466 2.861 489 1HD1 LEU 7 1HD1 LEU 7 1.255 1.241 0.854 490 2HD1 LEU 7 2HD1 LEU 7 -0.146 0.513 1.642 491 3HD1 LEU 7 3HD1 LEU 7 1.351 -0.405 1.479 492 1HD2 LEU 7 1HD2 LEU 7 -0.491 2.049 3.295 493 2HD2 LEU 7 2HD2 LEU 7 0.805 3.162 2.856 494 3HD2 LEU 7 3HD2 LEU 7 0.739 2.485 4.482 495 H ASN 8 H ASN 8 1.456 0.195 7.937 496 HA ASN 8 HA ASN 8 2.841 -2.372 8.122 497 1HB ASN 8 2HB ASN 8 3.480 -0.439 9.590 498 2HB ASN 8 1HB ASN 8 1.900 -0.571 10.355 499 1HD2 ASN 8 1HD2 ASN 8 4.951 -1.183 10.904 500 2HD2 ASN 8 2HD2 ASN 8 4.853 -2.638 11.832 501 H GLY 9 H GLY 9 1.563 -4.112 7.880 502 1HA GLY 9 2HA GLY 9 -1.041 -4.078 9.274 503 2HA GLY 9 1HA GLY 9 -0.767 -4.939 7.771 504 H LYS 10 H LYS 10 -1.699 -6.709 9.078 505 HA LYS 10 HA LYS 10 -0.058 -7.844 11.146 506 1HB LYS 10 2HB LYS 10 -2.585 -8.710 9.766 507 2HB LYS 10 1HB LYS 10 -1.736 -9.789 10.857 508 1HG LYS 10 2HG LYS 10 -2.733 -7.056 11.617 509 2HG LYS 10 1HG LYS 10 -3.612 -8.553 11.902 510 1HD LYS 10 2HD LYS 10 -0.830 -8.068 12.938 511 2HD LYS 10 1HD LYS 10 -2.277 -7.632 13.847 512 1HE LYS 10 2HE LYS 10 -1.641 -9.756 14.639 513 2HE LYS 10 1HE LYS 10 -3.013 -10.032 13.568 514 1HZ LYS 10 1HZ LYS 10 -1.770 -11.215 12.160 515 2HZ LYS 10 2HZ LYS 10 -0.678 -11.356 13.444 516 3HZ LYS 10 3HZ LYS 10 -0.445 -10.168 12.263 517 H THR 11 H THR 11 -1.111 -8.981 7.933 518 HA THR 11 HA THR 11 1.166 -10.811 7.860 519 HB THR 11 HB THR 11 -0.171 -11.696 5.837 520 HG1 THR 11 1HG THR 11 -1.557 -9.807 5.815 521 1HG2 THR 11 1HG2 THR 11 -0.118 -12.994 7.849 522 2HG2 THR 11 2HG2 THR 11 -1.775 -12.938 7.249 523 3HG2 THR 11 3HG2 THR 11 -1.297 -11.929 8.615 524 H LEU 12 H LEU 12 0.583 -7.745 6.968 525 HA LEU 12 HA LEU 12 2.361 -7.990 4.662 526 1HB LEU 12 2HB LEU 12 0.106 -7.781 3.771 527 2HB LEU 12 1HB LEU 12 -0.156 -6.333 4.724 528 HG LEU 12 HG LEU 12 1.435 -5.104 3.426 529 1HD1 LEU 12 1HD1 LEU 12 3.196 -6.192 2.630 530 2HD1 LEU 12 2HD1 LEU 12 2.159 -6.767 1.321 531 3HD1 LEU 12 3HD1 LEU 12 2.381 -7.744 2.769 532 1HD2 LEU 12 1HD2 LEU 12 -0.016 -4.743 1.777 533 2HD2 LEU 12 2HD2 LEU 12 -0.943 -6.096 2.429 534 3HD2 LEU 12 3HD2 LEU 12 0.208 -6.366 1.122 535 H LYS 13 H LYS 13 3.868 -6.462 4.462 536 HA LYS 13 HA LYS 13 3.733 -4.030 6.065 537 1HB LYS 13 2HB LYS 13 6.017 -6.007 6.262 538 2HB LYS 13 1HB LYS 13 6.009 -4.398 6.972 539 1HG LYS 13 2HG LYS 13 4.157 -5.016 8.413 540 2HG LYS 13 1HG LYS 13 4.100 -6.618 7.675 541 1HD LYS 13 2HD LYS 13 6.436 -5.469 9.200 542 2HD LYS 13 1HD LYS 13 5.277 -6.642 9.831 543 1HE LYS 13 2HE LYS 13 5.955 -8.226 8.078 544 2HE LYS 13 1HE LYS 13 7.136 -7.057 7.489 545 1HZ LYS 13 1HZ LYS 13 7.139 -8.187 10.234 546 2HZ LYS 13 2HZ LYS 13 8.330 -7.207 9.538 547 3HZ LYS 13 3HZ LYS 13 8.084 -8.778 8.961 548 H GLY 14 H GLY 14 4.932 -2.323 5.175 549 1HA GLY 14 2HA GLY 14 6.914 -2.691 3.186 550 2HA GLY 14 1HA GLY 14 5.364 -2.387 2.421 551 H GLU 15 H GLU 15 6.885 -0.600 1.644 552 HA GLU 15 HA GLU 15 6.270 1.776 3.225 553 1HB GLU 15 2HB GLU 15 9.003 1.286 2.024 554 2HB GLU 15 1HB GLU 15 8.492 2.715 2.911 555 1HG GLU 15 2HG GLU 15 9.597 1.646 4.567 556 2HG GLU 15 1HG GLU 15 8.006 0.922 4.795 557 H THR 16 H THR 16 5.641 3.471 2.018 558 HA THR 16 HA THR 16 6.090 3.385 -0.873 559 HB THR 16 HB THR 16 3.941 2.537 -0.877 560 HG1 THR 16 1HG THR 16 3.414 5.292 -0.746 561 1HG2 THR 16 1HG2 THR 16 3.200 4.355 1.396 562 2HG2 THR 16 2HG2 THR 16 3.469 2.617 1.497 563 3HG2 THR 16 3HG2 THR 16 2.112 3.247 0.565 564 H THR 17 H THR 17 5.458 5.532 -1.928 565 HA THR 17 HA THR 17 5.750 7.787 -0.089 566 HB THR 17 HB THR 17 7.546 8.754 -1.529 567 HG1 THR 17 1HG THR 17 7.263 7.528 -3.384 568 1HG2 THR 17 1HG2 THR 17 9.353 7.101 -0.825 569 2HG2 THR 17 2HG2 THR 17 8.048 6.195 -0.060 570 3HG2 THR 17 3HG2 THR 17 8.384 7.850 0.445 571 H THR 18 H THR 18 4.279 9.239 -0.531 572 HA THR 18 HA THR 18 3.298 9.572 -3.303 573 HB THR 18 HB THR 18 1.597 8.954 -1.602 574 HG1 THR 18 1HG THR 18 1.063 10.317 -3.391 575 1HG2 THR 18 1HG2 THR 18 2.382 9.931 0.408 576 2HG2 THR 18 2HG2 THR 18 0.866 10.733 -0.008 577 3HG2 THR 18 3HG2 THR 18 2.404 11.542 -0.310 578 H GLU 19 H GLU 19 3.243 11.632 -4.212 579 HA GLU 19 HA GLU 19 4.897 13.659 -2.854 580 1HB GLU 19 2HB GLU 19 5.673 12.933 -5.071 581 2HB GLU 19 1HB GLU 19 4.123 13.376 -5.771 582 1HG GLU 19 2HG GLU 19 5.690 15.090 -6.284 583 2HG GLU 19 1HG GLU 19 4.555 15.726 -5.093 584 H ALA 20 H ALA 20 3.729 15.210 -1.814 585 HA ALA 20 HA ALA 20 1.494 16.425 -3.227 586 1HB ALA 20 1HB ALA 20 1.068 15.537 -0.397 587 2HB ALA 20 2HB ALA 20 0.671 14.501 -1.768 588 3HB ALA 20 3HB ALA 20 -0.125 16.063 -1.585 589 H VAL 21 H VAL 21 0.889 18.451 -2.484 590 HA VAL 21 HA VAL 21 2.875 20.209 -1.781 591 HB VAL 21 HB VAL 21 -0.035 20.626 -1.110 592 1HG1 VAL 21 1HG1 VAL 21 1.622 22.826 -2.142 593 2HG1 VAL 21 2HG1 VAL 21 2.051 22.242 -0.533 594 3HG1 VAL 21 3HG1 VAL 21 0.414 22.816 -0.855 595 1HG2 VAL 21 1HG2 VAL 21 -0.200 20.021 -3.321 596 2HG2 VAL 21 2HG2 VAL 21 1.408 20.625 -3.720 597 3HG2 VAL 21 3HG2 VAL 21 0.080 21.757 -3.469 598 H ASP 22 H ASP 22 0.714 18.472 0.386 599 HA ASP 22 HA ASP 22 2.476 19.148 2.604 600 1HB ASP 22 2HB ASP 22 0.718 19.944 4.070 601 2HB ASP 22 1HB ASP 22 0.772 20.938 2.620 602 H ALA 23 H ALA 23 1.687 17.999 4.685 603 HA ALA 23 HA ALA 23 1.701 15.257 4.209 604 1HB ALA 23 1HB ALA 23 2.214 15.247 6.367 605 2HB ALA 23 2HB ALA 23 0.574 15.749 6.779 606 3HB ALA 23 3HB ALA 23 1.813 16.962 6.459 607 H ALA 24 H ALA 24 -0.995 17.410 4.980 608 HA ALA 24 HA ALA 24 -2.963 15.405 5.216 609 1HB ALA 24 1HB ALA 24 -4.407 17.515 4.336 610 2HB ALA 24 2HB ALA 24 -2.945 18.337 4.884 611 3HB ALA 24 3HB ALA 24 -3.860 17.326 6.003 612 H THR 25 H THR 25 -2.175 17.535 2.461 613 HA THR 25 HA THR 25 -3.865 16.412 0.588 614 HB THR 25 HB THR 25 -2.156 17.208 -1.089 615 HG1 THR 25 1HG THR 25 -0.317 16.859 0.238 616 1HG2 THR 25 1HG2 THR 25 -2.082 19.638 0.060 617 2HG2 THR 25 2HG2 THR 25 -3.411 18.893 0.948 618 3HG2 THR 25 3HG2 THR 25 -3.473 18.993 -0.811 619 H ALA 26 H ALA 26 -0.587 15.479 1.538 620 HA ALA 26 HA ALA 26 -0.276 13.344 -0.264 621 1HB ALA 26 1HB ALA 26 1.175 14.454 1.913 622 2HB ALA 26 2HB ALA 26 1.740 13.323 0.682 623 3HB ALA 26 3HB ALA 26 1.039 12.715 2.182 624 H GLU 27 H GLU 27 -1.394 13.411 3.130 625 HA GLU 27 HA GLU 27 -1.960 10.754 3.491 626 1HB GLU 27 2HB GLU 27 -2.091 12.425 5.273 627 2HB GLU 27 1HB GLU 27 -3.514 13.130 4.520 628 1HG GLU 27 2HG GLU 27 -4.747 11.061 4.898 629 2HG GLU 27 1HG GLU 27 -3.320 10.345 5.643 630 H LYS 28 H LYS 28 -4.138 13.269 2.200 631 HA LYS 28 HA LYS 28 -6.299 11.519 1.713 632 1HB LYS 28 2HB LYS 28 -5.561 14.258 0.739 633 2HB LYS 28 1HB LYS 28 -6.937 13.413 0.038 634 1HG LYS 28 2HG LYS 28 -7.374 15.018 1.978 635 2HG LYS 28 1HG LYS 28 -8.124 13.422 2.042 636 1HD LYS 28 2HD LYS 28 -6.355 12.636 3.528 637 2HD LYS 28 1HD LYS 28 -5.570 14.216 3.442 638 1HE LYS 28 2HE LYS 28 -6.864 13.980 5.501 639 2HE LYS 28 1HE LYS 28 -7.521 15.254 4.475 640 1HZ LYS 28 1HZ LYS 28 -9.207 13.688 3.700 641 2HZ LYS 28 2HZ LYS 28 -9.283 13.896 5.377 642 3HZ LYS 28 3HZ LYS 28 -8.591 12.496 4.730 643 H VAL 29 H VAL 29 -3.669 12.691 -0.375 644 HA VAL 29 HA VAL 29 -4.487 11.478 -2.745 645 HB VAL 29 HB VAL 29 -1.662 11.887 -1.737 646 1HG1 VAL 29 1HG1 VAL 29 -1.058 11.816 -4.155 647 2HG1 VAL 29 2HG1 VAL 29 -2.693 11.250 -4.495 648 3HG1 VAL 29 3HG1 VAL 29 -1.611 10.271 -3.504 649 1HG2 VAL 29 1HG2 VAL 29 -2.710 13.631 -3.843 650 2HG2 VAL 29 2HG2 VAL 29 -1.777 14.026 -2.401 651 3HG2 VAL 29 3HG2 VAL 29 -3.522 13.802 -2.288 652 H VAL 30 H VAL 30 -2.687 10.206 -0.003 653 HA VAL 30 HA VAL 30 -2.171 7.646 -1.113 654 HB VAL 30 HB VAL 30 -2.507 8.287 1.822 655 1HG1 VAL 30 1HG1 VAL 30 -2.311 5.870 0.844 656 2HG1 VAL 30 2HG1 VAL 30 -1.383 6.324 2.273 657 3HG1 VAL 30 3HG1 VAL 30 -0.603 6.283 0.692 658 1HG2 VAL 30 1HG2 VAL 30 -0.696 9.486 0.082 659 2HG2 VAL 30 2HG2 VAL 30 0.229 8.218 0.886 660 3HG2 VAL 30 3HG2 VAL 30 -0.603 9.443 1.842 661 H LYS 31 H LYS 31 -4.743 8.926 1.023 662 HA LYS 31 HA LYS 31 -6.232 6.666 1.465 663 1HB LYS 31 2HB LYS 31 -7.223 9.445 0.833 664 2HB LYS 31 1HB LYS 31 -8.257 8.147 1.403 665 1HG LYS 31 2HG LYS 31 -6.990 8.027 3.469 666 2HG LYS 31 1HG LYS 31 -5.925 9.312 2.899 667 1HD LYS 31 2HD LYS 31 -7.462 10.420 4.269 668 2HD LYS 31 1HD LYS 31 -8.066 10.698 2.632 669 1HE LYS 31 2HE LYS 31 -9.044 8.476 4.416 670 2HE LYS 31 1HE LYS 31 -9.806 10.063 4.336 671 1HZ LYS 31 1HZ LYS 31 -9.702 9.410 1.752 672 2HZ LYS 31 2HZ LYS 31 -11.027 9.081 2.749 673 3HZ LYS 31 3HZ LYS 31 -9.883 7.873 2.440 674 H GLN 32 H GLN 32 -6.398 8.848 -1.295 675 HA GLN 32 HA GLN 32 -8.373 7.509 -2.753 676 1HB GLN 32 2HB GLN 32 -7.285 9.828 -3.124 677 2HB GLN 32 1HB GLN 32 -6.069 8.951 -4.043 678 1HG GLN 32 2HG GLN 32 -7.632 8.264 -5.653 679 2HG GLN 32 1HG GLN 32 -8.999 8.726 -4.639 680 1HE2 GLN 32 1HE2 GLN 32 -9.600 10.853 -4.496 681 2HE2 GLN 32 2HE2 GLN 32 -9.006 12.072 -5.569 682 H PHE 33 H PHE 33 -4.908 7.069 -2.530 683 HA PHE 33 HA PHE 33 -4.417 5.305 -4.614 684 1HB PHE 33 2HB PHE 33 -2.742 6.376 -3.045 685 2HB PHE 33 1HB PHE 33 -3.185 5.164 -1.852 686 HD1 PHE 33 1HD PHE 33 -1.983 5.447 -5.357 687 HD2 PHE 33 2HD PHE 33 -1.955 3.222 -1.719 688 HE1 PHE 33 1HE PHE 33 -0.303 3.912 -6.296 689 HE2 PHE 33 2HE PHE 33 -0.276 1.695 -2.667 690 HZ PHE 33 HZ PHE 33 0.547 2.050 -4.962 691 H PHE 34 H PHE 34 -4.909 4.398 -1.229 692 HA PHE 34 HA PHE 34 -5.422 1.657 -1.758 693 1HB PHE 34 2HB PHE 34 -6.127 3.280 0.692 694 2HB PHE 34 1HB PHE 34 -6.054 1.517 0.599 695 HD1 PHE 34 1HD PHE 34 -3.729 0.844 -0.772 696 HD2 PHE 34 2HD PHE 34 -4.331 4.128 1.866 697 HE1 PHE 34 1HE PHE 34 -1.312 0.938 -0.349 698 HE2 PHE 34 2HE PHE 34 -1.911 4.224 2.300 699 HZ PHE 34 HZ PHE 34 -0.405 2.630 1.171 700 H ASN 35 H ASN 35 -7.493 4.447 -1.289 701 HA ASN 35 HA ASN 35 -9.991 3.286 -1.120 702 1HB ASN 35 2HB ASN 35 -9.539 5.716 -0.978 703 2HB ASN 35 1HB ASN 35 -9.204 5.746 -2.705 704 1HD2 ASN 35 1HD2 ASN 35 -11.311 6.816 -0.722 705 2HD2 ASN 35 2HD2 ASN 35 -12.797 6.558 -1.567 706 H ASP 36 H ASP 36 -7.959 3.867 -3.893 707 HA ASP 36 HA ASP 36 -9.896 2.668 -5.720 708 1HB ASP 36 2HB ASP 36 -7.236 3.994 -6.275 709 2HB ASP 36 1HB ASP 36 -8.341 3.388 -7.506 710 H ASN 37 H ASN 37 -6.970 1.806 -4.058 711 HA ASN 37 HA ASN 37 -6.348 -0.361 -5.879 712 1HB ASN 37 2HB ASN 37 -5.196 0.324 -3.166 713 2HB ASN 37 1HB ASN 37 -4.604 -0.963 -4.210 714 1HD2 ASN 37 1HD2 ASN 37 -3.515 1.705 -3.157 715 2HD2 ASN 37 2HD2 ASN 37 -2.856 2.440 -4.578 716 H GLY 38 H GLY 38 -7.578 0.003 -2.597 717 1HA GLY 38 2HA GLY 38 -7.947 -2.103 -1.291 718 2HA GLY 38 1HA GLY 38 -9.417 -1.304 -1.798 719 H VAL 39 H VAL 39 -10.881 -2.503 -2.762 720 HA VAL 39 HA VAL 39 -10.098 -5.184 -3.698 721 HB VAL 39 HB VAL 39 -12.822 -4.225 -2.892 722 1HG1 VAL 39 1HG1 VAL 39 -11.701 -6.801 -3.792 723 2HG1 VAL 39 2HG1 VAL 39 -13.334 -6.154 -3.954 724 3HG1 VAL 39 3HG1 VAL 39 -12.820 -6.880 -2.431 725 1HG2 VAL 39 1HG2 VAL 39 -10.937 -5.829 -1.179 726 2HG2 VAL 39 2HG2 VAL 39 -12.481 -5.110 -0.721 727 3HG2 VAL 39 3HG2 VAL 39 -11.094 -4.075 -1.064 728 H ASP 40 H ASP 40 -10.754 -2.319 -5.202 729 HA ASP 40 HA ASP 40 -12.207 -3.700 -7.353 730 1HB ASP 40 2HB ASP 40 -12.425 -0.794 -6.550 731 2HB ASP 40 1HB ASP 40 -13.216 -1.525 -7.945 732 H GLY 41 H GLY 41 -9.230 -2.845 -6.655 733 1HA GLY 41 2HA GLY 41 -8.592 -1.244 -8.988 734 2HA GLY 41 1HA GLY 41 -7.455 -1.852 -7.797 735 H GLU 42 H GLU 42 -6.474 -2.046 -10.156 736 HA GLU 42 HA GLU 42 -7.113 -4.702 -11.241 737 1HB GLU 42 2HB GLU 42 -5.490 -2.454 -12.459 738 2HB GLU 42 1HB GLU 42 -5.820 -4.001 -13.227 739 1HG GLU 42 2HG GLU 42 -7.325 -2.479 -14.180 740 2HG GLU 42 1HG GLU 42 -8.271 -3.430 -13.037 741 H TRP 43 H TRP 43 -5.968 -6.184 -10.133 742 HA TRP 43 HA TRP 43 -3.225 -5.600 -9.349 743 1HB TRP 43 2HB TRP 43 -5.021 -7.947 -8.727 744 2HB TRP 43 1HB TRP 43 -3.398 -7.723 -8.085 745 HD1 TRP 43 HD TRP 43 -6.456 -5.313 -8.237 746 HE1 TRP 43 1HE TRP 43 -6.801 -4.359 -5.868 747 HE3 TRP 43 3HE TRP 43 -2.713 -7.798 -5.813 748 HZ2 TRP 43 2HZ TRP 43 -5.634 -4.631 -3.309 749 HZ3 TRP 43 3HZ TRP 43 -2.390 -7.399 -3.414 750 HH2 TRP 43 HH TRP 43 -3.823 -5.847 -2.185 751 H THR 44 H THR 44 -1.576 -6.141 -10.591 752 HA THR 44 HA THR 44 -1.851 -8.455 -12.395 753 HB THR 44 HB THR 44 -0.012 -7.396 -13.714 754 HG1 THR 44 1HG THR 44 0.718 -6.092 -11.882 755 1HG2 THR 44 1HG2 THR 44 -2.694 -6.634 -13.680 756 2HG2 THR 44 2HG2 THR 44 -1.524 -6.407 -14.981 757 3HG2 THR 44 3HG2 THR 44 -1.771 -5.135 -13.785 758 H TYR 45 H TYR 45 -0.350 -10.092 -12.267 759 HA TYR 45 HA TYR 45 1.605 -9.854 -10.077 760 1HB TYR 45 2HB TYR 45 -0.188 -11.552 -9.787 761 2HB TYR 45 1HB TYR 45 0.390 -12.368 -11.234 762 HD1 TYR 45 1HD TYR 45 2.494 -10.844 -8.587 763 HD2 TYR 45 2HD TYR 45 1.041 -14.446 -10.323 764 HE1 TYR 45 1HE TYR 45 4.072 -12.136 -7.213 765 HE2 TYR 45 2HE TYR 45 2.613 -15.748 -8.953 766 HH TYR 45 HH TYR 45 3.953 -14.866 -6.353 767 H ASP 46 H ASP 46 3.705 -10.574 -10.332 768 HA ASP 46 HA ASP 46 4.538 -11.198 -13.088 769 1HB ASP 46 2HB ASP 46 5.189 -8.906 -12.492 770 2HB ASP 46 1HB ASP 46 6.017 -9.507 -11.058 771 H ASP 47 H ASP 47 4.389 -13.430 -12.491 772 HA ASP 47 HA ASP 47 5.499 -14.758 -10.387 773 1HB ASP 47 2HB ASP 47 5.543 -15.655 -13.276 774 2HB ASP 47 1HB ASP 47 5.740 -16.706 -11.876 775 H ALA 48 H ALA 48 7.201 -13.478 -13.186 776 HA ALA 48 HA ALA 48 9.623 -14.741 -13.028 777 1HB ALA 48 1HB ALA 48 10.362 -12.165 -13.637 778 2HB ALA 48 2HB ALA 48 8.661 -12.216 -14.097 779 3HB ALA 48 3HB ALA 48 9.792 -13.380 -14.783 780 H THR 49 H THR 49 8.463 -12.126 -10.970 781 HA THR 49 HA THR 49 10.864 -12.509 -9.306 782 HB THR 49 HB THR 49 10.788 -10.104 -8.734 783 HG1 THR 49 1HG THR 49 9.396 -8.758 -9.722 784 1HG2 THR 49 1HG2 THR 49 11.917 -11.154 -10.941 785 2HG2 THR 49 2HG2 THR 49 12.066 -9.465 -10.457 786 3HG2 THR 49 3HG2 THR 49 10.867 -9.934 -11.661 787 H LYS 50 H LYS 50 7.874 -13.370 -9.274 788 HA LYS 50 HA LYS 50 6.219 -13.678 -7.716 789 1HB LYS 50 2HB LYS 50 8.542 -13.298 -5.813 790 2HB LYS 50 1HB LYS 50 6.989 -14.003 -5.391 791 1HG LYS 50 2HG LYS 50 8.902 -15.145 -7.416 792 2HG LYS 50 1HG LYS 50 8.762 -15.676 -5.739 793 1HD LYS 50 2HD LYS 50 6.575 -15.774 -7.816 794 2HD LYS 50 1HD LYS 50 7.522 -17.148 -7.243 795 1HE LYS 50 2HE LYS 50 6.650 -16.783 -4.978 796 2HE LYS 50 1HE LYS 50 5.678 -15.442 -5.580 797 1HZ LYS 50 1HZ LYS 50 5.411 -18.099 -6.813 798 2HZ LYS 50 2HZ LYS 50 4.277 -16.847 -6.712 799 3HZ LYS 50 3HZ LYS 50 4.630 -17.778 -5.345 800 H THR 51 H THR 51 6.714 -10.977 -8.656 801 HA THR 51 HA THR 51 5.941 -9.398 -6.302 802 HB THR 51 HB THR 51 7.131 -8.502 -8.933 803 HG1 THR 51 1HG THR 51 8.281 -8.487 -6.345 804 1HG2 THR 51 1HG2 THR 51 7.194 -6.325 -8.199 805 2HG2 THR 51 2HG2 THR 51 6.956 -6.772 -6.511 806 3HG2 THR 51 3HG2 THR 51 5.609 -6.855 -7.645 807 H PHE 52 H PHE 52 4.244 -7.923 -6.437 808 HA PHE 52 HA PHE 52 2.354 -8.368 -8.663 809 1HB PHE 52 2HB PHE 52 1.683 -7.733 -5.778 810 2HB PHE 52 1HB PHE 52 0.525 -7.986 -7.077 811 HD1 PHE 52 1HD PHE 52 -0.323 -10.103 -7.488 812 HD2 PHE 52 2HD PHE 52 3.228 -9.686 -5.183 813 HE1 PHE 52 1HE PHE 52 -0.406 -12.500 -6.937 814 HE2 PHE 52 2HE PHE 52 3.155 -12.082 -4.631 815 HZ PHE 52 HZ PHE 52 1.336 -13.493 -5.508 816 H THR 53 H THR 53 1.601 -6.555 -9.687 817 HA THR 53 HA THR 53 2.436 -3.984 -8.530 818 HB THR 53 HB THR 53 2.106 -3.183 -10.987 819 HG1 THR 53 1HG THR 53 2.407 -4.737 -12.508 820 1HG2 THR 53 1HG2 THR 53 4.260 -2.902 -10.495 821 2HG2 THR 53 2HG2 THR 53 4.478 -4.362 -11.464 822 3HG2 THR 53 3HG2 THR 53 4.397 -4.473 -9.705 823 H VAL 54 H VAL 54 0.695 -3.519 -7.339 824 HA VAL 54 HA VAL 54 -1.976 -3.568 -8.465 825 HB VAL 54 HB VAL 54 -1.043 -2.401 -5.831 826 1HG1 VAL 54 1HG1 VAL 54 -3.176 -1.905 -5.344 827 2HG1 VAL 54 2HG1 VAL 54 -3.797 -3.372 -6.101 828 3HG1 VAL 54 3HG1 VAL 54 -3.417 -1.963 -7.091 829 1HG2 VAL 54 1HG2 VAL 54 -1.804 -5.165 -6.644 830 2HG2 VAL 54 2HG2 VAL 54 -2.243 -4.598 -5.033 831 3HG2 VAL 54 3HG2 VAL 54 -0.550 -4.621 -5.530 832 H THR 55 H THR 55 -2.697 -1.979 -9.736 833 HA THR 55 HA THR 55 -1.246 0.511 -9.847 834 HB THR 55 HB THR 55 -3.704 -0.229 -11.429 835 HG1 THR 55 1HG THR 55 -0.971 -0.739 -11.994 836 1HG2 THR 55 1HG2 THR 55 -2.459 1.200 -13.142 837 2HG2 THR 55 2HG2 THR 55 -1.524 1.793 -11.768 838 3HG2 THR 55 3HG2 THR 55 -3.273 2.026 -11.814 839 H GLU 56 H GLU 56 -2.319 2.554 -9.903 840 HA GLU 56 HA GLU 56 -3.827 3.024 -7.540 841 1HB GLU 56 2HB GLU 56 -4.086 5.370 -8.526 842 2HB GLU 56 1HB GLU 56 -2.459 4.805 -8.181 843 1HG GLU 56 2HG GLU 56 -2.494 5.948 -10.275 844 2HG GLU 56 1HG GLU 56 -2.173 4.246 -10.552 Start of MODEL 40 1 1H MET 1 1HT MET 1 5.603 -18.297 3.119 2 2H MET 1 2HT MET 1 5.554 -19.724 2.212 3 3H MET 1 3HT MET 1 4.285 -18.610 2.104 4 HA MET 1 HA MET 1 7.051 -18.321 1.102 5 1HB MET 1 2HB MET 1 4.316 -18.272 -0.186 6 2HB MET 1 1HB MET 1 5.809 -17.892 -1.034 7 1HG MET 1 2HG MET 1 5.170 -20.525 0.278 8 2HG MET 1 1HG MET 1 5.050 -20.182 -1.447 9 1HE MET 1 1HE MET 1 7.641 -18.278 -1.818 10 2HE MET 1 2HE MET 1 7.132 -19.525 -2.957 11 3HE MET 1 3HE MET 1 8.797 -19.486 -2.379 12 H GLN 2 H GLN 2 7.825 -16.324 0.638 13 HA GLN 2 HA GLN 2 6.276 -14.048 1.645 14 1HB GLN 2 2HB GLN 2 8.511 -14.365 2.608 15 2HB GLN 2 1HB GLN 2 9.223 -14.290 1.001 16 1HG GLN 2 2HG GLN 2 9.524 -12.194 2.161 17 2HG GLN 2 1HG GLN 2 8.462 -11.980 0.770 18 1HE2 GLN 2 1HE2 GLN 2 8.900 -11.100 3.863 19 2HE2 GLN 2 2HE2 GLN 2 7.271 -10.755 4.321 20 H TYR 3 H TYR 3 5.567 -12.462 0.329 21 HA TYR 3 HA TYR 3 6.518 -12.471 -2.459 22 1HB TYR 3 2HB TYR 3 3.674 -12.080 -1.506 23 2HB TYR 3 1HB TYR 3 4.217 -11.893 -3.171 24 HD1 TYR 3 1HD TYR 3 4.722 -13.820 -4.538 25 HD2 TYR 3 2HD TYR 3 3.535 -14.293 -0.480 26 HE1 TYR 3 1HE TYR 3 4.343 -16.217 -4.935 27 HE2 TYR 3 2HE TYR 3 3.153 -16.691 -0.865 28 HH TYR 3 HH TYR 3 3.100 -18.064 -4.001 29 H LYS 4 H LYS 4 6.751 -10.491 -3.456 30 HA LYS 4 HA LYS 4 6.626 -8.182 -1.638 31 1HB LYS 4 2HB LYS 4 8.856 -8.701 -2.518 32 2HB LYS 4 1HB LYS 4 8.248 -8.573 -4.162 33 1HG LYS 4 2HG LYS 4 7.761 -6.212 -3.809 34 2HG LYS 4 1HG LYS 4 8.343 -6.335 -2.148 35 1HD LYS 4 2HD LYS 4 9.987 -6.834 -4.631 36 2HD LYS 4 1HD LYS 4 10.038 -5.374 -3.640 37 1HE LYS 4 2HE LYS 4 10.771 -6.720 -1.720 38 2HE LYS 4 1HE LYS 4 10.744 -8.164 -2.731 39 1HZ LYS 4 1HZ LYS 4 12.887 -7.657 -3.060 40 2HZ LYS 4 2HZ LYS 4 12.702 -6.042 -2.596 41 3HZ LYS 4 3HZ LYS 4 12.301 -6.520 -4.167 42 H VAL 5 H VAL 5 4.834 -7.028 -1.899 43 HA VAL 5 HA VAL 5 3.615 -6.849 -4.546 44 HB VAL 5 HB VAL 5 2.546 -5.892 -1.885 45 1HG1 VAL 5 1HG1 VAL 5 1.491 -5.814 -4.671 46 2HG1 VAL 5 2HG1 VAL 5 1.376 -4.611 -3.388 47 3HG1 VAL 5 3HG1 VAL 5 0.363 -6.054 -3.335 48 1HG2 VAL 5 1HG2 VAL 5 0.926 -7.922 -2.649 49 2HG2 VAL 5 2HG2 VAL 5 2.291 -8.101 -1.547 50 3HG2 VAL 5 3HG2 VAL 5 2.482 -8.491 -3.256 51 H ILE 6 H ILE 6 3.794 -5.154 -5.770 52 HA ILE 6 HA ILE 6 5.072 -2.730 -4.723 53 HB ILE 6 HB ILE 6 4.770 -3.746 -7.552 54 1HG1 ILE 6 2HG1 ILE 6 7.201 -3.372 -5.790 55 2HG1 ILE 6 1HG1 ILE 6 6.457 -4.913 -6.203 56 1HG2 ILE 6 1HG2 ILE 6 4.626 -1.387 -7.689 57 2HG2 ILE 6 2HG2 ILE 6 6.277 -1.823 -8.128 58 3HG2 ILE 6 3HG2 ILE 6 5.933 -1.169 -6.526 59 1HD1 ILE 6 1HD1 ILE 6 8.188 -3.145 -7.815 60 2HD1 ILE 6 2HD1 ILE 6 6.913 -4.022 -8.663 61 3HD1 ILE 6 3HD1 ILE 6 8.121 -4.906 -7.730 62 H LEU 7 H LEU 7 3.945 -0.910 -4.506 63 HA LEU 7 HA LEU 7 1.250 -0.802 -5.671 64 1HB LEU 7 2HB LEU 7 2.255 0.986 -3.476 65 2HB LEU 7 1HB LEU 7 0.602 0.536 -3.856 66 HG LEU 7 HG LEU 7 2.690 -1.219 -2.583 67 1HD1 LEU 7 1HD1 LEU 7 1.209 -1.188 -0.667 68 2HD1 LEU 7 2HD1 LEU 7 0.073 -0.155 -1.535 69 3HD1 LEU 7 3HD1 LEU 7 1.671 0.456 -1.110 70 1HD2 LEU 7 1HD2 LEU 7 0.957 -2.927 -2.472 71 2HD2 LEU 7 2HD2 LEU 7 1.318 -2.503 -4.144 72 3HD2 LEU 7 3HD2 LEU 7 -0.143 -1.886 -3.375 73 H ASN 8 H ASN 8 1.978 -0.076 -7.721 74 HA ASN 8 HA ASN 8 3.379 2.471 -7.859 75 1HB ASN 8 2HB ASN 8 2.470 0.583 -10.034 76 2HB ASN 8 1HB ASN 8 3.333 2.089 -10.327 77 1HD2 ASN 8 1HD2 ASN 8 3.755 -1.072 -10.266 78 2HD2 ASN 8 2HD2 ASN 8 5.396 -1.178 -9.739 79 H GLY 9 H GLY 9 2.123 4.157 -7.413 80 1HA GLY 9 2HA GLY 9 -0.401 4.425 -8.928 81 2HA GLY 9 1HA GLY 9 -0.182 5.058 -7.304 82 H LYS 10 H LYS 10 -0.961 6.463 -9.716 83 HA LYS 10 HA LYS 10 0.921 7.943 -11.003 84 1HB LYS 10 2HB LYS 10 -1.704 8.925 -9.874 85 2HB LYS 10 1HB LYS 10 -0.776 9.739 -11.126 86 1HG LYS 10 2HG LYS 10 -1.179 8.015 -12.684 87 2HG LYS 10 1HG LYS 10 -1.789 6.929 -11.436 88 1HD LYS 10 2HD LYS 10 -3.590 7.903 -12.817 89 2HD LYS 10 1HD LYS 10 -3.733 8.331 -11.111 90 1HE LYS 10 2HE LYS 10 -2.717 10.504 -11.571 91 2HE LYS 10 1HE LYS 10 -2.565 10.078 -13.275 92 1HZ LYS 10 1HZ LYS 10 -5.158 9.660 -12.907 93 2HZ LYS 10 2HZ LYS 10 -4.526 11.153 -13.390 94 3HZ LYS 10 3HZ LYS 10 -4.913 10.886 -11.767 95 H THR 11 H THR 11 -0.631 8.956 -7.955 96 HA THR 11 HA THR 11 1.508 10.883 -7.506 97 HB THR 11 HB THR 11 -0.099 11.498 -5.559 98 HG1 THR 11 1HG THR 11 -1.352 9.549 -5.883 99 1HG2 THR 11 1HG2 THR 11 -0.628 11.993 -8.456 100 2HG2 THR 11 2HG2 THR 11 0.003 13.094 -7.231 101 3HG2 THR 11 3HG2 THR 11 -1.700 12.640 -7.215 102 H LEU 12 H LEU 12 0.826 7.730 -6.658 103 HA LEU 12 HA LEU 12 2.550 7.970 -4.301 104 1HB LEU 12 2HB LEU 12 0.253 7.750 -3.510 105 2HB LEU 12 1HB LEU 12 0.041 6.300 -4.477 106 HG LEU 12 HG LEU 12 1.509 5.057 -3.093 107 1HD1 LEU 12 1HD1 LEU 12 2.497 7.704 -2.394 108 2HD1 LEU 12 2HD1 LEU 12 3.326 6.157 -2.410 109 3HD1 LEU 12 3HD1 LEU 12 2.347 6.619 -1.015 110 1HD2 LEU 12 1HD2 LEU 12 0.126 4.842 -1.339 111 2HD2 LEU 12 2HD2 LEU 12 -0.847 6.034 -2.201 112 3HD2 LEU 12 3HD2 LEU 12 0.239 6.549 -0.908 113 H LYS 13 H LYS 13 4.128 6.469 -4.149 114 HA LYS 13 HA LYS 13 3.971 4.038 -5.761 115 1HB LYS 13 2HB LYS 13 6.251 6.012 -5.999 116 2HB LYS 13 1HB LYS 13 6.205 4.417 -6.736 117 1HG LYS 13 2HG LYS 13 4.282 5.086 -8.081 118 2HG LYS 13 1HG LYS 13 4.318 6.686 -7.337 119 1HD LYS 13 2HD LYS 13 6.561 7.054 -8.244 120 2HD LYS 13 1HD LYS 13 6.524 5.454 -8.987 121 1HE LYS 13 2HE LYS 13 5.991 7.195 -10.613 122 2HE LYS 13 1HE LYS 13 4.617 6.122 -10.352 123 1HZ LYS 13 1HZ LYS 13 4.030 8.509 -10.425 124 2HZ LYS 13 2HZ LYS 13 4.944 8.757 -9.023 125 3HZ LYS 13 3HZ LYS 13 3.580 7.756 -8.978 126 H GLY 14 H GLY 14 5.224 2.330 -4.962 127 1HA GLY 14 2HA GLY 14 7.292 2.601 -3.081 128 2HA GLY 14 1HA GLY 14 5.787 2.374 -2.209 129 H GLU 15 H GLU 15 7.075 0.481 -1.458 130 HA GLU 15 HA GLU 15 6.345 -1.840 -3.069 131 1HB GLU 15 2HB GLU 15 9.118 -1.408 -1.936 132 2HB GLU 15 1HB GLU 15 8.546 -2.897 -2.679 133 1HG GLU 15 2HG GLU 15 8.226 -1.719 -4.795 134 2HG GLU 15 1HG GLU 15 8.802 -0.229 -4.051 135 H THR 16 H THR 16 5.789 -3.622 -1.878 136 HA THR 16 HA THR 16 6.209 -3.571 1.006 137 HB THR 16 HB THR 16 4.120 -2.579 1.062 138 HG1 THR 16 1HG THR 16 3.418 -5.292 0.886 139 1HG2 THR 16 1HG2 THR 16 2.294 -2.934 -0.389 140 2HG2 THR 16 2HG2 THR 16 3.063 -4.342 -1.119 141 3HG2 THR 16 3HG2 THR 16 3.722 -2.733 -1.403 142 H THR 17 H THR 17 5.382 -5.691 2.022 143 HA THR 17 HA THR 17 5.519 -7.931 0.149 144 HB THR 17 HB THR 17 7.229 -9.064 1.551 145 HG1 THR 17 1HG THR 17 8.226 -8.003 3.154 146 1HG2 THR 17 1HG2 THR 17 8.147 -8.109 -0.371 147 2HG2 THR 17 2HG2 THR 17 9.165 -7.540 0.951 148 3HG2 THR 17 3HG2 THR 17 7.954 -6.469 0.245 149 H THR 18 H THR 18 3.981 -9.327 0.578 150 HA THR 18 HA THR 18 2.882 -9.529 3.314 151 HB THR 18 HB THR 18 1.278 -8.903 1.519 152 HG1 THR 18 1HG THR 18 0.639 -10.202 3.340 153 1HG2 THR 18 1HG2 THR 18 1.988 -11.584 0.362 154 2HG2 THR 18 2HG2 THR 18 2.143 -10.005 -0.408 155 3HG2 THR 18 3HG2 THR 18 0.544 -10.664 -0.063 156 H GLU 19 H GLU 19 2.746 -11.529 4.315 157 HA GLU 19 HA GLU 19 4.325 -13.677 3.069 158 1HB GLU 19 2HB GLU 19 5.129 -12.913 5.247 159 2HB GLU 19 1HB GLU 19 3.553 -13.222 5.960 160 1HG GLU 19 2HG GLU 19 5.110 -14.979 6.533 161 2HG GLU 19 1HG GLU 19 3.816 -15.608 5.513 162 H ALA 20 H ALA 20 3.147 -15.229 2.087 163 HA ALA 20 HA ALA 20 0.852 -16.326 3.492 164 1HB ALA 20 1HB ALA 20 0.265 -14.392 1.795 165 2HB ALA 20 2HB ALA 20 -0.762 -15.813 1.978 166 3HB ALA 20 3HB ALA 20 0.373 -15.711 0.630 167 H VAL 21 H VAL 21 0.237 -18.371 2.833 168 HA VAL 21 HA VAL 21 2.202 -20.180 2.202 169 HB VAL 21 HB VAL 21 -0.711 -20.590 1.537 170 1HG1 VAL 21 1HG1 VAL 21 -0.147 -22.949 2.220 171 2HG1 VAL 21 2HG1 VAL 21 1.549 -22.466 2.187 172 3HG1 VAL 21 3HG1 VAL 21 0.582 -22.395 0.713 173 1HG2 VAL 21 1HG2 VAL 21 -0.625 -21.616 3.944 174 2HG2 VAL 21 2HG2 VAL 21 -0.890 -19.885 3.714 175 3HG2 VAL 21 3HG2 VAL 21 0.711 -20.483 4.155 176 H ASP 22 H ASP 22 0.041 -18.531 -0.032 177 HA ASP 22 HA ASP 22 1.790 -19.323 -2.226 178 1HB ASP 22 2HB ASP 22 -0.019 -20.082 -3.661 179 2HB ASP 22 1HB ASP 22 0.022 -21.044 -2.189 180 H ALA 23 H ALA 23 1.066 -18.202 -4.332 181 HA ALA 23 HA ALA 23 1.189 -15.454 -3.941 182 1HB ALA 23 1HB ALA 23 1.442 -17.133 -6.090 183 2HB ALA 23 2HB ALA 23 1.495 -15.371 -6.156 184 3HB ALA 23 3HB ALA 23 -0.014 -16.221 -6.486 185 H ALA 24 H ALA 24 -1.616 -17.496 -4.633 186 HA ALA 24 HA ALA 24 -3.472 -15.391 -4.916 187 1HB ALA 24 1HB ALA 24 -4.789 -17.102 -5.460 188 2HB ALA 24 2HB ALA 24 -4.776 -17.660 -3.788 189 3HB ALA 24 3HB ALA 24 -3.548 -18.231 -4.918 190 H THR 25 H THR 25 -2.759 -17.477 -2.100 191 HA THR 25 HA THR 25 -4.401 -16.226 -0.258 192 HB THR 25 HB THR 25 -2.816 -17.089 1.444 193 HG1 THR 25 1HG THR 25 -0.850 -17.504 0.956 194 1HG2 THR 25 1HG2 THR 25 -2.626 -19.509 0.346 195 2HG2 THR 25 2HG2 THR 25 -3.835 -18.796 -0.723 196 3HG2 THR 25 3HG2 THR 25 -4.126 -18.867 1.016 197 H ALA 26 H ALA 26 -1.065 -15.505 -1.205 198 HA ALA 26 HA ALA 26 -0.652 -13.322 0.518 199 1HB ALA 26 1HB ALA 26 0.523 -13.867 -2.211 200 2HB ALA 26 2HB ALA 26 1.199 -14.362 -0.661 201 3HB ALA 26 3HB ALA 26 1.113 -12.651 -1.080 202 H GLU 27 H GLU 27 -1.683 -13.424 -2.903 203 HA GLU 27 HA GLU 27 -2.147 -10.758 -3.333 204 1HB GLU 27 2HB GLU 27 -2.294 -12.450 -5.088 205 2HB GLU 27 1HB GLU 27 -3.744 -13.114 -4.347 206 1HG GLU 27 2HG GLU 27 -4.928 -11.027 -4.786 207 2HG GLU 27 1HG GLU 27 -3.474 -10.355 -5.522 208 H LYS 28 H LYS 28 -4.407 -13.171 -2.012 209 HA LYS 28 HA LYS 28 -6.597 -11.470 -1.653 210 1HB LYS 28 2HB LYS 28 -5.774 -13.914 -0.076 211 2HB LYS 28 1HB LYS 28 -7.345 -13.134 0.048 212 1HG LYS 28 2HG LYS 28 -6.193 -14.428 -2.413 213 2HG LYS 28 1HG LYS 28 -7.464 -15.083 -1.381 214 1HD LYS 28 2HD LYS 28 -8.892 -13.176 -1.935 215 2HD LYS 28 1HD LYS 28 -7.620 -12.523 -2.969 216 1HE LYS 28 2HE LYS 28 -9.030 -15.163 -3.346 217 2HE LYS 28 1HE LYS 28 -9.327 -13.695 -4.275 218 1HZ LYS 28 1HZ LYS 28 -6.582 -14.261 -4.356 219 2HZ LYS 28 2HZ LYS 28 -7.692 -14.262 -5.632 220 3HZ LYS 28 3HZ LYS 28 -7.418 -15.678 -4.749 221 H VAL 29 H VAL 29 -3.861 -12.207 0.454 222 HA VAL 29 HA VAL 29 -4.710 -10.893 2.756 223 HB VAL 29 HB VAL 29 -1.880 -11.097 1.713 224 1HG1 VAL 29 1HG1 VAL 29 -2.838 -10.745 4.547 225 2HG1 VAL 29 2HG1 VAL 29 -2.224 -9.438 3.531 226 3HG1 VAL 29 3HG1 VAL 29 -1.166 -10.777 3.981 227 1HG2 VAL 29 1HG2 VAL 29 -3.639 -13.144 2.452 228 2HG2 VAL 29 2HG2 VAL 29 -2.555 -12.933 3.826 229 3HG2 VAL 29 3HG2 VAL 29 -1.895 -13.261 2.225 230 H VAL 30 H VAL 30 -3.108 -9.663 -0.126 231 HA VAL 30 HA VAL 30 -2.655 -7.032 0.796 232 HB VAL 30 HB VAL 30 -3.177 -7.947 -2.041 233 1HG1 VAL 30 1HG1 VAL 30 -3.332 -5.483 -1.587 234 2HG1 VAL 30 2HG1 VAL 30 -2.096 -5.950 -2.755 235 3HG1 VAL 30 3HG1 VAL 30 -1.636 -5.537 -1.103 236 1HG2 VAL 30 1HG2 VAL 30 -1.260 -9.003 -0.602 237 2HG2 VAL 30 2HG2 VAL 30 -0.450 -7.474 -0.939 238 3HG2 VAL 30 3HG2 VAL 30 -0.964 -8.512 -2.270 239 H LYS 31 H LYS 31 -5.346 -8.502 -1.047 240 HA LYS 31 HA LYS 31 -6.924 -6.274 -1.431 241 1HB LYS 31 2HB LYS 31 -7.616 -9.157 -0.989 242 2HB LYS 31 1HB LYS 31 -8.887 -7.956 -1.162 243 1HG LYS 31 2HG LYS 31 -8.495 -8.986 -3.284 244 2HG LYS 31 1HG LYS 31 -7.925 -7.318 -3.350 245 1HD LYS 31 2HD LYS 31 -5.626 -8.134 -2.931 246 2HD LYS 31 1HD LYS 31 -6.238 -9.789 -2.987 247 1HE LYS 31 2HE LYS 31 -6.399 -7.779 -5.229 248 2HE LYS 31 1HE LYS 31 -5.237 -9.098 -5.123 249 1HZ LYS 31 1HZ LYS 31 -7.163 -9.600 -6.550 250 2HZ LYS 31 2HZ LYS 31 -8.182 -9.462 -5.208 251 3HZ LYS 31 3HZ LYS 31 -7.011 -10.682 -5.259 252 H GLN 32 H GLN 32 -6.840 -8.423 1.386 253 HA GLN 32 HA GLN 32 -8.804 -7.023 2.862 254 1HB GLN 32 2HB GLN 32 -8.258 -9.286 3.465 255 2HB GLN 32 1HB GLN 32 -6.573 -8.877 3.720 256 1HG GLN 32 2HG GLN 32 -8.792 -7.696 5.361 257 2HG GLN 32 1HG GLN 32 -8.025 -9.225 5.769 258 1HE2 GLN 32 1HE2 GLN 32 -5.458 -7.807 4.578 259 2HE2 GLN 32 2HE2 GLN 32 -4.889 -6.918 5.938 260 H PHE 33 H PHE 33 -5.312 -6.791 2.609 261 HA PHE 33 HA PHE 33 -4.736 -5.006 4.646 262 1HB PHE 33 2HB PHE 33 -3.102 -6.198 3.121 263 2HB PHE 33 1HB PHE 33 -3.464 -4.985 1.899 264 HD1 PHE 33 1HD PHE 33 -2.618 -5.039 5.524 265 HD2 PHE 33 2HD PHE 33 -1.881 -3.323 1.688 266 HE1 PHE 33 1HE PHE 33 -0.934 -3.538 6.509 267 HE2 PHE 33 2HE PHE 33 -0.185 -1.844 2.679 268 HZ PHE 33 HZ PHE 33 0.286 -1.957 5.096 269 H PHE 34 H PHE 34 -5.339 -4.223 1.258 270 HA PHE 34 HA PHE 34 -5.585 -1.417 1.736 271 1HB PHE 34 2HB PHE 34 -6.360 -3.059 -0.677 272 2HB PHE 34 1HB PHE 34 -6.325 -1.295 -0.625 273 HD1 PHE 34 1HD PHE 34 -3.918 -0.803 0.957 274 HD2 PHE 34 2HD PHE 34 -4.628 -3.631 -2.141 275 HE1 PHE 34 1HE PHE 34 -1.515 -0.847 0.459 276 HE2 PHE 34 2HE PHE 34 -2.220 -3.675 -2.648 277 HZ PHE 34 HZ PHE 34 -0.669 -2.285 -1.335 278 H ASN 35 H ASN 35 -7.883 -4.048 1.390 279 HA ASN 35 HA ASN 35 -10.270 -2.658 1.229 280 1HB ASN 35 2HB ASN 35 -10.230 -5.068 1.077 281 2HB ASN 35 1HB ASN 35 -9.605 -5.209 2.717 282 1HD2 ASN 35 1HD2 ASN 35 -12.232 -5.704 0.974 283 2HD2 ASN 35 2HD2 ASN 35 -13.468 -5.410 2.142 284 H ASP 36 H ASP 36 -8.251 -3.351 4.000 285 HA ASP 36 HA ASP 36 -10.076 -1.968 5.806 286 1HB ASP 36 2HB ASP 36 -7.514 -3.470 6.370 287 2HB ASP 36 1HB ASP 36 -8.554 -2.753 7.598 288 H ASN 37 H ASN 37 -7.065 -1.375 4.152 289 HA ASN 37 HA ASN 37 -6.294 0.794 5.901 290 1HB ASN 37 2HB ASN 37 -5.285 0.023 3.152 291 2HB ASN 37 1HB ASN 37 -4.592 1.296 4.151 292 1HD2 ASN 37 1HD2 ASN 37 -3.546 -1.287 3.075 293 2HD2 ASN 37 2HD2 ASN 37 -2.892 -2.087 4.458 294 H GLY 38 H GLY 38 -7.650 0.407 2.689 295 1HA GLY 38 2HA GLY 38 -8.017 2.427 1.293 296 2HA GLY 38 1HA GLY 38 -9.492 1.762 1.954 297 H VAL 39 H VAL 39 -10.819 3.188 2.710 298 HA VAL 39 HA VAL 39 -9.779 5.794 3.605 299 HB VAL 39 HB VAL 39 -12.521 5.096 2.608 300 1HG1 VAL 39 1HG1 VAL 39 -12.875 7.032 3.793 301 2HG1 VAL 39 2HG1 VAL 39 -12.428 7.700 2.224 302 3HG1 VAL 39 3HG1 VAL 39 -11.238 7.625 3.523 303 1HG2 VAL 39 1HG2 VAL 39 -11.386 6.730 0.722 304 2HG2 VAL 39 2HG2 VAL 39 -11.534 4.976 0.607 305 3HG2 VAL 39 3HG2 VAL 39 -10.039 5.697 1.200 306 H ASP 40 H ASP 40 -10.810 3.054 5.097 307 HA ASP 40 HA ASP 40 -12.139 4.610 7.204 308 1HB ASP 40 2HB ASP 40 -12.771 1.775 6.359 309 2HB ASP 40 1HB ASP 40 -13.487 2.610 7.734 310 H GLY 41 H GLY 41 -9.321 3.275 6.533 311 1HA GLY 41 2HA GLY 41 -8.973 1.585 8.861 312 2HA GLY 41 1HA GLY 41 -7.738 2.017 7.688 313 H GLU 42 H GLU 42 -6.774 2.033 10.069 314 HA GLU 42 HA GLU 42 -6.898 4.815 11.034 315 1HB GLU 42 2HB GLU 42 -6.152 2.312 12.560 316 2HB GLU 42 1HB GLU 42 -6.115 3.946 13.211 317 1HG GLU 42 2HG GLU 42 -8.527 4.135 12.874 318 2HG GLU 42 1HG GLU 42 -8.563 2.495 12.227 319 H TRP 43 H TRP 43 -5.180 5.985 10.526 320 HA TRP 43 HA TRP 43 -2.565 4.632 10.301 321 1HB TRP 43 2HB TRP 43 -3.326 7.134 8.801 322 2HB TRP 43 1HB TRP 43 -1.920 6.116 8.551 323 HD1 TRP 43 HD TRP 43 -4.379 3.548 8.660 324 HE1 TRP 43 1HE TRP 43 -5.390 3.050 6.330 325 HE3 TRP 43 3HE TRP 43 -2.890 7.767 6.199 326 HZ2 TRP 43 2HZ TRP 43 -5.528 4.278 3.811 327 HZ3 TRP 43 3HZ TRP 43 -3.491 8.026 3.833 328 HH2 TRP 43 HH TRP 43 -4.784 6.318 2.660 329 H THR 44 H THR 44 -0.764 5.710 11.128 330 HA THR 44 HA THR 44 -1.354 8.088 12.767 331 HB THR 44 HB THR 44 0.519 7.358 14.232 332 HG1 THR 44 1HG THR 44 0.468 5.073 12.562 333 1HG2 THR 44 1HG2 THR 44 -1.988 6.514 14.418 334 2HG2 THR 44 2HG2 THR 44 -0.719 5.978 15.518 335 3HG2 THR 44 3HG2 THR 44 -1.199 4.958 14.162 336 H TYR 45 H TYR 45 0.073 9.826 12.654 337 HA TYR 45 HA TYR 45 2.009 9.665 10.441 338 1HB TYR 45 2HB TYR 45 0.120 11.252 10.151 339 2HB TYR 45 1HB TYR 45 0.663 12.122 11.581 340 HD1 TYR 45 1HD TYR 45 2.829 10.688 8.935 341 HD2 TYR 45 2HD TYR 45 1.176 14.222 10.633 342 HE1 TYR 45 1HE TYR 45 4.314 12.051 7.527 343 HE2 TYR 45 2HE TYR 45 2.656 15.594 9.227 344 HH TYR 45 HH TYR 45 4.720 15.423 8.010 345 H ASP 46 H ASP 46 4.071 10.474 10.655 346 HA ASP 46 HA ASP 46 4.907 11.219 13.380 347 1HB ASP 46 2HB ASP 46 5.653 8.941 12.844 348 2HB ASP 46 1HB ASP 46 6.433 9.533 11.380 349 H ASP 47 H ASP 47 4.677 13.428 12.745 350 HA ASP 47 HA ASP 47 5.685 14.742 10.583 351 1HB ASP 47 2HB ASP 47 5.771 15.701 13.450 352 2HB ASP 47 1HB ASP 47 5.914 16.730 12.030 353 H ALA 48 H ALA 48 7.500 13.641 13.398 354 HA ALA 48 HA ALA 48 9.886 14.952 13.087 355 1HB ALA 48 1HB ALA 48 9.016 13.022 14.739 356 2HB ALA 48 2HB ALA 48 10.706 13.512 14.613 357 3HB ALA 48 3HB ALA 48 10.133 12.089 13.742 358 H THR 49 H THR 49 8.665 12.270 11.179 359 HA THR 49 HA THR 49 11.049 12.515 9.468 360 HB THR 49 HB THR 49 10.885 10.095 8.987 361 HG1 THR 49 1HG THR 49 8.899 10.163 11.008 362 1HG2 THR 49 1HG2 THR 49 11.075 10.555 11.950 363 2HG2 THR 49 2HG2 THR 49 12.374 10.886 10.805 364 3HG2 THR 49 3HG2 THR 49 11.786 9.238 11.020 365 H LYS 50 H LYS 50 8.041 13.412 9.489 366 HA LYS 50 HA LYS 50 6.335 13.661 7.981 367 1HB LYS 50 2HB LYS 50 8.677 13.530 6.084 368 2HB LYS 50 1HB LYS 50 7.070 14.116 5.670 369 1HG LYS 50 2HG LYS 50 7.675 15.599 7.886 370 2HG LYS 50 1HG LYS 50 9.242 15.442 7.090 371 1HD LYS 50 2HD LYS 50 6.723 16.333 5.710 372 2HD LYS 50 1HD LYS 50 7.913 17.441 6.393 373 1HE LYS 50 2HE LYS 50 8.330 17.230 4.039 374 2HE LYS 50 1HE LYS 50 9.630 16.422 4.913 375 1HZ LYS 50 1HZ LYS 50 8.868 14.345 4.294 376 2HZ LYS 50 2HZ LYS 50 8.569 15.257 2.901 377 3HZ LYS 50 3HZ LYS 50 7.301 14.889 3.956 378 H THR 51 H THR 51 6.745 10.981 8.800 379 HA THR 51 HA THR 51 5.972 9.531 6.357 380 HB THR 51 HB THR 51 7.463 8.481 8.767 381 HG1 THR 51 1HG THR 51 8.903 9.505 7.496 382 1HG2 THR 51 1HG2 THR 51 7.023 6.405 8.164 383 2HG2 THR 51 2HG2 THR 51 7.509 6.737 6.501 384 3HG2 THR 51 3HG2 THR 51 5.846 7.030 7.010 385 H PHE 52 H PHE 52 4.207 8.242 6.417 386 HA PHE 52 HA PHE 52 2.555 8.377 8.854 387 1HB PHE 52 2HB PHE 52 1.643 7.784 6.028 388 2HB PHE 52 1HB PHE 52 0.622 8.092 7.424 389 HD1 PHE 52 1HD PHE 52 -0.373 10.149 7.512 390 HD2 PHE 52 2HD PHE 52 3.410 9.784 5.593 391 HE1 PHE 52 1HE PHE 52 -0.447 12.535 6.912 392 HE2 PHE 52 2HE PHE 52 3.344 12.169 4.999 393 HZ PHE 52 HZ PHE 52 1.413 13.547 5.658 394 H THR 53 H THR 53 1.594 6.459 9.646 395 HA THR 53 HA THR 53 2.548 3.985 8.377 396 HB THR 53 HB THR 53 2.387 3.056 10.804 397 HG1 THR 53 1HG THR 53 2.789 4.580 12.377 398 1HG2 THR 53 1HG2 THR 53 4.603 4.715 9.698 399 2HG2 THR 53 2HG2 THR 53 4.499 2.964 9.901 400 3HG2 THR 53 3HG2 THR 53 4.725 4.005 11.308 401 H VAL 54 H VAL 54 1.098 2.527 7.885 402 HA VAL 54 HA VAL 54 -1.666 2.920 8.817 403 HB VAL 54 HB VAL 54 -0.661 1.485 6.350 404 1HG1 VAL 54 1HG1 VAL 54 -3.116 1.533 5.739 405 2HG1 VAL 54 2HG1 VAL 54 -3.432 1.934 7.426 406 3HG1 VAL 54 3HG1 VAL 54 -2.649 0.409 7.015 407 1HG2 VAL 54 1HG2 VAL 54 -2.398 3.843 6.089 408 2HG2 VAL 54 2HG2 VAL 54 -0.989 3.358 5.147 409 3HG2 VAL 54 3HG2 VAL 54 -0.776 4.166 6.700 410 H THR 55 H THR 55 -2.123 1.583 10.480 411 HA THR 55 HA THR 55 -0.897 -1.079 10.478 412 HB THR 55 HB THR 55 -2.349 0.265 12.755 413 HG1 THR 55 1HG THR 55 -0.272 0.791 13.499 414 1HG2 THR 55 1HG2 THR 55 -0.511 -2.107 12.608 415 2HG2 THR 55 2HG2 THR 55 -2.189 -2.067 13.155 416 3HG2 THR 55 3HG2 THR 55 -0.930 -1.283 14.111 417 H GLU 56 H GLU 56 -2.061 -2.684 9.700 418 HA GLU 56 HA GLU 56 -4.710 -2.634 8.957 419 1HB GLU 56 2HB GLU 56 -3.023 -4.355 8.305 420 2HB GLU 56 1HB GLU 56 -3.181 -5.067 9.903 421 1HG GLU 56 2HG GLU 56 -5.395 -4.832 7.875 422 2HG GLU 56 1HG GLU 56 -4.448 -6.282 8.197 423 1H MET 1 1HT MET 1 6.090 18.208 -2.947 424 2H MET 1 2HT MET 1 6.062 19.635 -2.040 425 3H MET 1 3HT MET 1 4.766 18.553 -1.951 426 HA MET 1 HA MET 1 7.509 18.196 -0.909 427 1HB MET 1 2HB MET 1 4.757 18.215 0.339 428 2HB MET 1 1HB MET 1 6.226 17.799 1.208 429 1HG MET 1 2HG MET 1 5.672 20.446 -0.112 430 2HG MET 1 1HG MET 1 5.519 20.106 1.611 431 1HE MET 1 1HE MET 1 8.057 18.139 2.018 432 2HE MET 1 2HE MET 1 7.560 19.398 3.150 433 3HE MET 1 3HE MET 1 9.235 19.320 2.596 434 H GLN 2 H GLN 2 8.228 16.182 -0.435 435 HA GLN 2 HA GLN 2 6.639 13.945 -1.465 436 1HB GLN 2 2HB GLN 2 8.893 14.206 -2.395 437 2HB GLN 2 1HB GLN 2 9.581 14.116 -0.780 438 1HG GLN 2 2HG GLN 2 9.847 12.012 -1.935 439 2HG GLN 2 1HG GLN 2 8.760 11.825 -0.559 440 1HE2 GLN 2 1HE2 GLN 2 9.221 10.932 -3.645 441 2HE2 GLN 2 2HE2 GLN 2 7.590 10.628 -4.126 442 H TYR 3 H TYR 3 5.872 12.376 -0.159 443 HA TYR 3 HA TYR 3 6.784 12.362 2.642 444 1HB TYR 3 2HB TYR 3 3.945 12.040 1.650 445 2HB TYR 3 1HB TYR 3 4.461 11.839 3.321 446 HD1 TYR 3 1HD TYR 3 4.992 13.754 4.696 447 HD2 TYR 3 2HD TYR 3 3.875 14.255 0.622 448 HE1 TYR 3 1HE TYR 3 4.665 16.159 5.087 449 HE2 TYR 3 2HE TYR 3 3.546 16.662 1.002 450 HH TYR 3 HH TYR 3 3.480 18.036 4.138 451 H LYS 4 H LYS 4 6.955 10.377 3.643 452 HA LYS 4 HA LYS 4 6.800 8.072 1.823 453 1HB LYS 4 2HB LYS 4 9.030 8.537 2.732 454 2HB LYS 4 1HB LYS 4 8.394 8.423 4.368 455 1HG LYS 4 2HG LYS 4 7.855 6.075 4.010 456 2HG LYS 4 1HG LYS 4 8.462 6.183 2.356 457 1HD LYS 4 2HD LYS 4 10.083 6.644 4.860 458 2HD LYS 4 1HD LYS 4 10.114 5.182 3.871 459 1HE LYS 4 2HE LYS 4 10.906 6.509 1.963 460 2HE LYS 4 1HE LYS 4 10.900 7.953 2.973 461 1HZ LYS 4 1HZ LYS 4 13.024 7.395 3.333 462 2HZ LYS 4 2HZ LYS 4 12.808 5.785 2.865 463 3HZ LYS 4 3HZ LYS 4 12.395 6.272 4.431 464 H VAL 5 H VAL 5 4.975 6.961 2.058 465 HA VAL 5 HA VAL 5 3.716 6.813 4.687 466 HB VAL 5 HB VAL 5 2.661 5.882 2.011 467 1HG1 VAL 5 1HG1 VAL 5 1.565 5.831 4.782 468 2HG1 VAL 5 2HG1 VAL 5 1.439 4.629 3.498 469 3HG1 VAL 5 3HG1 VAL 5 0.463 6.096 3.431 470 1HG2 VAL 5 1HG2 VAL 5 1.080 7.951 2.753 471 2HG2 VAL 5 2HG2 VAL 5 2.465 8.096 1.670 472 3HG2 VAL 5 3HG2 VAL 5 2.641 8.481 3.382 473 H ILE 6 H ILE 6 3.837 5.115 5.912 474 HA ILE 6 HA ILE 6 5.070 2.659 4.885 475 HB ILE 6 HB ILE 6 4.752 3.682 7.709 476 1HG1 ILE 6 2HG1 ILE 6 7.198 3.250 5.982 477 2HG1 ILE 6 1HG1 ILE 6 6.486 4.809 6.384 478 1HG2 ILE 6 1HG2 ILE 6 4.548 1.329 7.843 479 2HG2 ILE 6 2HG2 ILE 6 6.204 1.724 8.306 480 3HG2 ILE 6 3HG2 ILE 6 5.867 1.079 6.699 481 1HD1 ILE 6 1HD1 ILE 6 8.151 2.999 8.019 482 2HD1 ILE 6 2HD1 ILE 6 6.886 3.906 8.849 483 3HD1 ILE 6 3HD1 ILE 6 8.129 4.760 7.935 484 H LEU 7 H LEU 7 3.903 0.867 4.652 485 HA LEU 7 HA LEU 7 1.190 0.826 5.779 486 1HB LEU 7 2HB LEU 7 2.181 -0.986 3.596 487 2HB LEU 7 1HB LEU 7 0.535 -0.498 3.954 488 HG LEU 7 HG LEU 7 2.682 1.206 2.710 489 1HD1 LEU 7 1HD1 LEU 7 1.228 1.211 0.774 490 2HD1 LEU 7 2HD1 LEU 7 0.055 0.206 1.625 491 3HD1 LEU 7 3HD1 LEU 7 1.644 -0.443 1.222 492 1HD2 LEU 7 1HD2 LEU 7 0.993 2.957 2.575 493 2HD2 LEU 7 2HD2 LEU 7 1.320 2.524 4.253 494 3HD2 LEU 7 3HD2 LEU 7 -0.145 1.941 3.463 495 H ASN 8 H ASN 8 1.870 0.082 7.837 496 HA ASN 8 HA ASN 8 3.207 -2.500 7.995 497 1HB ASN 8 2HB ASN 8 2.313 -0.589 10.157 498 2HB ASN 8 1HB ASN 8 3.135 -2.116 10.463 499 1HD2 ASN 8 1HD2 ASN 8 3.635 1.035 10.407 500 2HD2 ASN 8 2HD2 ASN 8 5.285 1.100 9.905 501 H GLY 9 H GLY 9 1.917 -4.154 7.532 502 1HA GLY 9 2HA GLY 9 -0.635 -4.359 9.009 503 2HA GLY 9 1HA GLY 9 -0.408 -4.998 7.389 504 H LYS 10 H LYS 10 -1.256 -6.383 9.790 505 HA LYS 10 HA LYS 10 0.572 -7.908 11.104 506 1HB LYS 10 2HB LYS 10 -2.060 -8.827 9.938 507 2HB LYS 10 1HB LYS 10 -1.170 -9.663 11.202 508 1HG LYS 10 2HG LYS 10 -1.552 -7.930 12.755 509 2HG LYS 10 1HG LYS 10 -2.119 -6.829 11.498 510 1HD LYS 10 2HD LYS 10 -3.962 -7.758 12.853 511 2HD LYS 10 1HD LYS 10 -4.091 -8.184 11.146 512 1HE LYS 10 2HE LYS 10 -3.136 -10.380 11.618 513 2HE LYS 10 1HE LYS 10 -2.996 -9.959 13.325 514 1HZ LYS 10 1HZ LYS 10 -5.574 -9.478 12.921 515 2HZ LYS 10 2HZ LYS 10 -4.985 -10.985 13.413 516 3HZ LYS 10 3HZ LYS 10 -5.342 -10.709 11.784 517 H THR 11 H THR 11 -0.961 -8.885 8.033 518 HA THR 11 HA THR 11 1.137 -10.862 7.614 519 HB THR 11 HB THR 11 -0.455 -11.440 5.644 520 HG1 THR 11 1HG THR 11 -1.666 -9.459 5.950 521 1HG2 THR 11 1HG2 THR 11 -1.038 -11.920 8.533 522 2HG2 THR 11 2HG2 THR 11 -0.418 -13.037 7.318 523 3HG2 THR 11 3HG2 THR 11 -2.110 -12.540 7.277 524 H LEU 12 H LEU 12 0.543 -7.694 6.757 525 HA LEU 12 HA LEU 12 2.295 -7.976 4.424 526 1HB LEU 12 2HB LEU 12 0.014 -7.701 3.602 527 2HB LEU 12 1HB LEU 12 -0.175 -6.247 4.565 528 HG LEU 12 HG LEU 12 1.341 -5.039 3.203 529 1HD1 LEU 12 1HD1 LEU 12 2.275 -7.709 2.516 530 2HD1 LEU 12 2HD1 LEU 12 3.141 -6.182 2.545 531 3HD1 LEU 12 3HD1 LEU 12 2.171 -6.621 1.137 532 1HD2 LEU 12 1HD2 LEU 12 -0.011 -4.791 1.428 533 2HD2 LEU 12 2HD2 LEU 12 -1.025 -5.960 2.275 534 3HD2 LEU 12 3HD2 LEU 12 0.067 -6.500 1.000 535 H LYS 13 H LYS 13 3.911 -6.514 4.296 536 HA LYS 13 HA LYS 13 3.791 -4.078 5.905 537 1HB LYS 13 2HB LYS 13 6.016 -6.109 6.174 538 2HB LYS 13 1HB LYS 13 6.000 -4.512 6.913 539 1HG LYS 13 2HG LYS 13 4.042 -5.136 8.231 540 2HG LYS 13 1HG LYS 13 4.049 -6.735 7.487 541 1HD LYS 13 2HD LYS 13 6.271 -7.158 8.425 542 2HD LYS 13 1HD LYS 13 6.262 -5.558 9.167 543 1HE LYS 13 2HE LYS 13 5.664 -7.284 10.785 544 2HE LYS 13 1HE LYS 13 4.320 -6.178 10.505 545 1HZ LYS 13 1HZ LYS 13 3.675 -8.551 10.569 546 2HZ LYS 13 2HZ LYS 13 4.601 -8.820 9.181 547 3HZ LYS 13 3HZ LYS 13 3.263 -7.786 9.116 548 H GLY 14 H GLY 14 5.094 -2.402 5.124 549 1HA GLY 14 2HA GLY 14 7.182 -2.725 3.272 550 2HA GLY 14 1HA GLY 14 5.695 -2.461 2.380 551 H GLU 15 H GLU 15 7.041 -0.600 1.647 552 HA GLU 15 HA GLU 15 6.345 1.739 3.249 553 1HB GLU 15 2HB GLU 15 9.122 1.241 2.154 554 2HB GLU 15 1HB GLU 15 8.575 2.741 2.890 555 1HG GLU 15 2HG GLU 15 8.197 1.572 5.000 556 2HG GLU 15 1HG GLU 15 8.747 0.068 4.264 557 H THR 16 H THR 16 5.848 3.533 2.050 558 HA THR 16 HA THR 16 6.307 3.471 -0.829 559 HB THR 16 HB THR 16 4.196 2.532 -0.913 560 HG1 THR 16 1HG THR 16 3.558 5.260 -0.748 561 1HG2 THR 16 1HG2 THR 16 2.359 2.931 0.511 562 2HG2 THR 16 2HG2 THR 16 3.151 4.319 1.253 563 3HG2 THR 16 3HG2 THR 16 3.766 2.694 1.545 564 H THR 17 H THR 17 5.546 5.610 -1.856 565 HA THR 17 HA THR 17 5.711 7.846 0.019 566 HB THR 17 HB THR 17 7.468 8.938 -1.356 567 HG1 THR 17 1HG THR 17 8.462 7.853 -2.947 568 1HG2 THR 17 1HG2 THR 17 8.335 7.962 0.578 569 2HG2 THR 17 2HG2 THR 17 9.358 7.367 -0.729 570 3HG2 THR 17 3HG2 THR 17 8.112 6.327 -0.042 571 H THR 18 H THR 18 4.214 9.281 -0.429 572 HA THR 18 HA THR 18 3.159 9.510 -3.182 573 HB THR 18 HB THR 18 1.516 8.921 -1.410 574 HG1 THR 18 1HG THR 18 0.935 10.237 -3.240 575 1HG2 THR 18 1HG2 THR 18 2.274 11.584 -0.243 576 2HG2 THR 18 2HG2 THR 18 2.379 10.002 0.529 577 3HG2 THR 18 3HG2 THR 18 0.802 10.700 0.162 578 H GLU 19 H GLU 19 3.087 11.511 -4.185 579 HA GLU 19 HA GLU 19 4.700 13.620 -2.915 580 1HB GLU 19 2HB GLU 19 5.516 12.837 -5.084 581 2HB GLU 19 1HB GLU 19 3.957 13.185 -5.817 582 1HG GLU 19 2HG GLU 19 5.565 14.902 -6.369 583 2HG GLU 19 1HG GLU 19 4.272 15.563 -5.367 584 H ALA 20 H ALA 20 3.547 15.200 -1.950 585 HA ALA 20 HA ALA 20 1.297 16.353 -3.387 586 1HB ALA 20 1HB ALA 20 0.639 14.432 -1.699 587 2HB ALA 20 2HB ALA 20 -0.350 15.879 -1.896 588 3HB ALA 20 3HB ALA 20 0.763 15.750 -0.533 589 H VAL 21 H VAL 21 0.724 18.412 -2.737 590 HA VAL 21 HA VAL 21 2.723 20.173 -2.078 591 HB VAL 21 HB VAL 21 -0.187 20.654 -1.453 592 1HG1 VAL 21 1HG1 VAL 21 0.441 22.997 -2.129 593 2HG1 VAL 21 2HG1 VAL 21 2.125 22.475 -2.070 594 3HG1 VAL 21 3HG1 VAL 21 1.136 22.427 -0.612 595 1HG2 VAL 21 1HG2 VAL 21 -0.043 21.676 -3.860 596 2HG2 VAL 21 2HG2 VAL 21 -0.353 19.953 -3.634 597 3HG2 VAL 21 3HG2 VAL 21 1.267 20.511 -4.051 598 H ASP 22 H ASP 22 0.490 18.576 0.125 599 HA ASP 22 HA ASP 22 2.228 19.326 2.344 600 1HB ASP 22 2HB ASP 22 0.417 20.130 3.753 601 2HB ASP 22 1HB ASP 22 0.504 21.090 2.281 602 H ALA 23 H ALA 23 1.447 18.223 4.439 603 HA ALA 23 HA ALA 23 1.508 15.474 4.050 604 1HB ALA 23 1HB ALA 23 1.772 17.147 6.202 605 2HB ALA 23 2HB ALA 23 1.780 15.385 6.268 606 3HB ALA 23 3HB ALA 23 0.288 16.270 6.579 607 H ALA 24 H ALA 24 -1.255 17.584 4.702 608 HA ALA 24 HA ALA 24 -3.167 15.524 4.958 609 1HB ALA 24 1HB ALA 24 -4.448 17.267 5.484 610 2HB ALA 24 2HB ALA 24 -4.399 17.825 3.812 611 3HB ALA 24 3HB ALA 24 -3.174 18.366 4.961 612 H THR 25 H THR 25 -2.362 17.591 2.154 613 HA THR 25 HA THR 25 -4.008 16.381 0.288 614 HB THR 25 HB THR 25 -2.379 17.206 -1.392 615 HG1 THR 25 1HG THR 25 -0.411 17.572 -0.876 616 1HG2 THR 25 1HG2 THR 25 -2.146 19.619 -0.291 617 2HG2 THR 25 2HG2 THR 25 -3.387 18.937 0.761 618 3HG2 THR 25 3HG2 THR 25 -3.651 19.014 -0.982 619 H ALA 26 H ALA 26 -0.704 15.580 1.282 620 HA ALA 26 HA ALA 26 -0.321 13.386 -0.436 621 1HB ALA 26 1HB ALA 26 0.827 13.903 2.311 622 2HB ALA 26 2HB ALA 26 1.539 14.381 0.770 623 3HB ALA 26 3HB ALA 26 1.405 12.673 1.187 624 H GLU 27 H GLU 27 -1.396 13.514 2.971 625 HA GLU 27 HA GLU 27 -1.931 10.861 3.393 626 1HB GLU 27 2HB GLU 27 -2.061 12.555 5.147 627 2HB GLU 27 1HB GLU 27 -3.484 13.254 4.386 628 1HG GLU 27 2HG GLU 27 -4.725 11.197 4.808 629 2HG GLU 27 1HG GLU 27 -3.300 10.490 5.564 630 H LYS 28 H LYS 28 -4.113 13.328 2.041 631 HA LYS 28 HA LYS 28 -6.340 11.680 1.650 632 1HB LYS 28 2HB LYS 28 -5.435 14.103 0.086 633 2HB LYS 28 1HB LYS 28 -7.022 13.360 -0.060 634 1HG LYS 28 2HG LYS 28 -5.873 14.627 2.417 635 2HG LYS 28 1HG LYS 28 -7.115 15.314 1.368 636 1HD LYS 28 2HD LYS 28 -8.597 13.441 1.902 637 2HD LYS 28 1HD LYS 28 -7.355 12.757 2.953 638 1HE LYS 28 2HE LYS 28 -8.705 15.433 3.311 639 2HE LYS 28 1HE LYS 28 -9.051 13.970 4.234 640 1HZ LYS 28 1HZ LYS 28 -6.295 14.470 4.355 641 2HZ LYS 28 2HZ LYS 28 -7.423 14.497 5.614 642 3HZ LYS 28 3HZ LYS 28 -7.101 15.908 4.737 643 H VAL 29 H VAL 29 -3.558 12.350 -0.417 644 HA VAL 29 HA VAL 29 -4.405 11.056 -2.732 645 HB VAL 29 HB VAL 29 -1.586 11.193 -1.647 646 1HG1 VAL 29 1HG1 VAL 29 -2.511 10.861 -4.495 647 2HG1 VAL 29 2HG1 VAL 29 -1.944 9.542 -3.471 648 3HG1 VAL 29 3HG1 VAL 29 -0.849 10.853 -3.907 649 1HG2 VAL 29 1HG2 VAL 29 -3.284 13.281 -2.410 650 2HG2 VAL 29 2HG2 VAL 29 -2.187 13.043 -3.771 651 3HG2 VAL 29 3HG2 VAL 29 -1.540 13.356 -2.160 652 H VAL 30 H VAL 30 -2.873 9.788 0.173 653 HA VAL 30 HA VAL 30 -2.472 7.148 -0.742 654 HB VAL 30 HB VAL 30 -3.012 8.074 2.087 655 1HG1 VAL 30 1HG1 VAL 30 -3.219 5.615 1.630 656 2HG1 VAL 30 2HG1 VAL 30 -1.989 6.053 2.816 657 3HG1 VAL 30 3HG1 VAL 30 -1.517 5.627 1.170 658 1HG2 VAL 30 1HG2 VAL 30 -1.050 9.085 0.675 659 2HG2 VAL 30 2HG2 VAL 30 -0.282 7.535 1.024 660 3HG2 VAL 30 3HG2 VAL 30 -0.788 8.585 2.347 661 H LYS 31 H LYS 31 -5.152 8.681 1.061 662 HA LYS 31 HA LYS 31 -6.789 6.493 1.423 663 1HB LYS 31 2HB LYS 31 -7.406 9.393 0.971 664 2HB LYS 31 1HB LYS 31 -8.707 8.221 1.128 665 1HG LYS 31 2HG LYS 31 -8.319 9.243 3.254 666 2HG LYS 31 1HG LYS 31 -7.791 7.561 3.328 667 1HD LYS 31 2HD LYS 31 -5.466 8.321 2.942 668 2HD LYS 31 1HD LYS 31 -6.038 9.990 2.991 669 1HE LYS 31 2HE LYS 31 -6.282 7.985 5.230 670 2HE LYS 31 1HE LYS 31 -5.087 9.276 5.139 671 1HZ LYS 31 1HZ LYS 31 -7.019 9.825 6.540 672 2HZ LYS 31 2HZ LYS 31 -8.023 9.712 5.183 673 3HZ LYS 31 3HZ LYS 31 -6.822 10.902 5.249 674 H GLN 32 H GLN 32 -6.612 8.639 -1.391 675 HA GLN 32 HA GLN 32 -8.590 7.287 -2.897 676 1HB GLN 32 2HB GLN 32 -7.979 9.535 -3.489 677 2HB GLN 32 1HB GLN 32 -6.303 9.086 -3.722 678 1HG GLN 32 2HG GLN 32 -8.526 7.958 -5.394 679 2HG GLN 32 1HG GLN 32 -7.718 9.469 -5.790 680 1HE2 GLN 32 1HE2 GLN 32 -5.201 7.989 -4.564 681 2HE2 GLN 32 2HE2 GLN 32 -4.634 7.086 -5.916 682 H PHE 33 H PHE 33 -5.109 6.970 -2.593 683 HA PHE 33 HA PHE 33 -4.546 5.172 -4.622 684 1HB PHE 33 2HB PHE 33 -2.906 6.324 -3.074 685 2HB PHE 33 1HB PHE 33 -3.314 5.120 -1.857 686 HD1 PHE 33 1HD PHE 33 -2.416 5.153 -5.470 687 HD2 PHE 33 2HD PHE 33 -1.776 3.419 -1.624 688 HE1 PHE 33 1HE PHE 33 -0.756 3.612 -6.431 689 HE2 PHE 33 2HE PHE 33 -0.102 1.899 -2.591 690 HZ PHE 33 HZ PHE 33 0.406 2.001 -5.002 691 H PHE 34 H PHE 34 -5.217 4.403 -1.244 692 HA PHE 34 HA PHE 34 -5.524 1.605 -1.724 693 1HB PHE 34 2HB PHE 34 -6.292 3.265 0.676 694 2HB PHE 34 1HB PHE 34 -6.300 1.500 0.624 695 HD1 PHE 34 1HD PHE 34 -3.883 0.949 -0.923 696 HD2 PHE 34 2HD PHE 34 -4.568 3.796 2.165 697 HE1 PHE 34 1HE PHE 34 -1.488 0.935 -0.391 698 HE2 PHE 34 2HE PHE 34 -2.167 3.782 2.707 699 HZ PHE 34 HZ PHE 34 -0.632 2.354 1.416 700 H ASN 35 H ASN 35 -7.761 4.291 -1.412 701 HA ASN 35 HA ASN 35 -10.184 2.960 -1.284 702 1HB ASN 35 2HB ASN 35 -10.087 5.368 -1.131 703 2HB ASN 35 1HB ASN 35 -9.436 5.494 -2.763 704 1HD2 ASN 35 1HD2 ASN 35 -12.074 6.054 -1.057 705 2HD2 ASN 35 2HD2 ASN 35 -13.301 5.788 -2.241 706 H ASP 36 H ASP 36 -8.109 3.602 -4.027 707 HA ASP 36 HA ASP 36 -9.941 2.263 -5.859 708 1HB ASP 36 2HB ASP 36 -7.336 3.702 -6.386 709 2HB ASP 36 1HB ASP 36 -8.376 3.012 -7.628 710 H ASN 37 H ASN 37 -6.969 1.598 -4.161 711 HA ASN 37 HA ASN 37 -6.228 -0.590 -5.899 712 1HB ASN 37 2HB ASN 37 -5.238 0.158 -3.137 713 2HB ASN 37 1HB ASN 37 -4.564 -1.132 -4.126 714 1HD2 ASN 37 1HD2 ASN 37 -3.470 1.425 -3.036 715 2HD2 ASN 37 2HD2 ASN 37 -2.778 2.210 -4.409 716 H GLY 38 H GLY 38 -7.617 -0.169 -2.707 717 1HA GLY 38 2HA GLY 38 -8.055 -2.179 -1.317 718 2HA GLY 38 1HA GLY 38 -9.503 -1.479 -1.999 719 H VAL 39 H VAL 39 -10.854 -2.872 -2.773 720 HA VAL 39 HA VAL 39 -9.865 -5.502 -3.655 721 HB VAL 39 HB VAL 39 -12.603 -4.739 -2.697 722 1HG1 VAL 39 1HG1 VAL 39 -12.988 -6.665 -3.886 723 2HG1 VAL 39 2HG1 VAL 39 -12.579 -7.345 -2.311 724 3HG1 VAL 39 3HG1 VAL 39 -11.368 -7.298 -3.593 725 1HG2 VAL 39 1HG2 VAL 39 -11.534 -6.399 -0.795 726 2HG2 VAL 39 2HG2 VAL 39 -11.642 -4.641 -0.680 727 3HG2 VAL 39 3HG2 VAL 39 -10.155 -5.399 -1.254 728 H ASP 40 H ASP 40 -10.809 -2.740 -5.160 729 HA ASP 40 HA ASP 40 -12.144 -4.263 -7.286 730 1HB ASP 40 2HB ASP 40 -12.718 -1.412 -6.451 731 2HB ASP 40 1HB ASP 40 -13.436 -2.230 -7.836 732 H GLY 41 H GLY 41 -9.305 -2.997 -6.575 733 1HA GLY 41 2HA GLY 41 -8.883 -1.316 -8.898 734 2HA GLY 41 1HA GLY 41 -7.676 -1.778 -7.709 735 H GLU 42 H GLU 42 -6.679 -1.817 -10.075 736 HA GLU 42 HA GLU 42 -6.856 -4.596 -11.042 737 1HB GLU 42 2HB GLU 42 -6.029 -2.111 -12.556 738 2HB GLU 42 1HB GLU 42 -6.022 -3.745 -13.208 739 1HG GLU 42 2HG GLU 42 -8.442 -3.876 -12.904 740 2HG GLU 42 1HG GLU 42 -8.448 -2.237 -12.259 741 H TRP 43 H TRP 43 -5.175 -5.806 -10.510 742 HA TRP 43 HA TRP 43 -2.531 -4.517 -10.249 743 1HB TRP 43 2HB TRP 43 -3.373 -7.000 -8.759 744 2HB TRP 43 1HB TRP 43 -1.946 -6.015 -8.489 745 HD1 TRP 43 HD TRP 43 -4.341 -3.390 -8.632 746 HE1 TRP 43 1HE TRP 43 -5.372 -2.867 -6.316 747 HE3 TRP 43 3HE TRP 43 -2.990 -7.644 -6.150 748 HZ2 TRP 43 2HZ TRP 43 -5.576 -4.090 -3.800 749 HZ3 TRP 43 3HZ TRP 43 -3.631 -7.888 -3.793 750 HH2 TRP 43 HH TRP 43 -4.899 -6.147 -2.639 751 H THR 44 H THR 44 -0.745 -5.639 -11.049 752 HA THR 44 HA THR 44 -1.370 -8.002 -12.697 753 HB THR 44 HB THR 44 0.541 -7.319 -14.134 754 HG1 THR 44 1HG THR 44 0.522 -5.032 -12.466 755 1HG2 THR 44 1HG2 THR 44 -1.942 -6.414 -14.357 756 2HG2 THR 44 2HG2 THR 44 -0.643 -5.908 -15.439 757 3HG2 THR 44 3HG2 THR 44 -1.119 -4.878 -14.089 758 H TYR 45 H TYR 45 0.014 -9.774 -12.564 759 HA TYR 45 HA TYR 45 1.920 -9.660 -10.324 760 1HB TYR 45 2HB TYR 45 -0.010 -11.201 -10.060 761 2HB TYR 45 1HB TYR 45 0.532 -12.083 -11.482 762 HD1 TYR 45 1HD TYR 45 2.696 -10.702 -8.806 763 HD2 TYR 45 2HD TYR 45 0.979 -14.195 -10.528 764 HE1 TYR 45 1HE TYR 45 4.125 -12.101 -7.378 765 HE2 TYR 45 2HE TYR 45 2.406 -15.603 -9.103 766 HH TYR 45 HH TYR 45 4.456 -15.483 -7.857 767 H ASP 46 H ASP 46 3.965 -10.519 -10.509 768 HA ASP 46 HA ASP 46 4.821 -11.284 -13.221 769 1HB ASP 46 2HB ASP 46 5.615 -9.025 -12.675 770 2HB ASP 46 1HB ASP 46 6.361 -9.636 -11.201 771 H ASP 47 H ASP 47 4.528 -13.488 -12.590 772 HA ASP 47 HA ASP 47 5.474 -14.826 -10.415 773 1HB ASP 47 2HB ASP 47 5.578 -15.786 -13.280 774 2HB ASP 47 1HB ASP 47 5.676 -16.819 -11.858 775 H ALA 48 H ALA 48 7.354 -13.769 -13.203 776 HA ALA 48 HA ALA 48 9.704 -15.137 -12.859 777 1HB ALA 48 1HB ALA 48 8.905 -13.186 -14.522 778 2HB ALA 48 2HB ALA 48 10.580 -13.717 -14.373 779 3HB ALA 48 3HB ALA 48 10.030 -12.282 -13.509 780 H THR 49 H THR 49 8.520 -12.428 -10.968 781 HA THR 49 HA THR 49 10.875 -12.729 -9.224 782 HB THR 49 HB THR 49 10.762 -10.305 -8.744 783 HG1 THR 49 1HG THR 49 8.805 -10.326 -10.794 784 1HG2 THR 49 1HG2 THR 49 10.984 -10.770 -11.706 785 2HG2 THR 49 2HG2 THR 49 12.258 -11.133 -10.541 786 3HG2 THR 49 3HG2 THR 49 11.713 -9.470 -10.764 787 H LYS 50 H LYS 50 7.847 -13.552 -9.288 788 HA LYS 50 HA LYS 50 6.113 -13.760 -7.804 789 1HB LYS 50 2HB LYS 50 8.431 -13.686 -5.874 790 2HB LYS 50 1HB LYS 50 6.805 -14.232 -5.482 791 1HG LYS 50 2HG LYS 50 7.404 -15.729 -7.690 792 2HG LYS 50 1HG LYS 50 8.964 -15.611 -6.872 793 1HD LYS 50 2HD LYS 50 6.404 -16.439 -5.527 794 2HD LYS 50 1HD LYS 50 7.576 -17.577 -6.194 795 1HE LYS 50 2HE LYS 50 7.966 -17.375 -3.834 796 2HE LYS 50 1HE LYS 50 9.297 -16.600 -4.691 797 1HZ LYS 50 1HZ LYS 50 8.575 -14.506 -4.081 798 2HZ LYS 50 2HZ LYS 50 8.235 -15.409 -2.695 799 3HZ LYS 50 3HZ LYS 50 6.991 -15.010 -3.766 800 H THR 51 H THR 51 6.600 -11.091 -8.617 801 HA THR 51 HA THR 51 5.828 -9.623 -6.183 802 HB THR 51 HB THR 51 7.377 -8.609 -8.574 803 HG1 THR 51 1HG THR 51 8.775 -9.667 -7.282 804 1HG2 THR 51 1HG2 THR 51 6.981 -6.523 -7.976 805 2HG2 THR 51 2HG2 THR 51 7.434 -6.866 -6.306 806 3HG2 THR 51 3HG2 THR 51 5.771 -7.119 -6.839 807 H PHE 52 H PHE 52 4.095 -8.291 -6.269 808 HA PHE 52 HA PHE 52 2.475 -8.386 -8.729 809 1HB PHE 52 2HB PHE 52 1.538 -7.769 -5.916 810 2HB PHE 52 1HB PHE 52 0.529 -8.054 -7.327 811 HD1 PHE 52 1HD PHE 52 -0.512 -10.085 -7.429 812 HD2 PHE 52 2HD PHE 52 3.249 -9.812 -5.457 813 HE1 PHE 52 1HE PHE 52 -0.654 -12.470 -6.830 814 HE2 PHE 52 2HE PHE 52 3.117 -12.194 -4.864 815 HZ PHE 52 HZ PHE 52 1.163 -13.525 -5.550 816 H THR 53 H THR 53 1.573 -6.445 -9.534 817 HA THR 53 HA THR 53 2.568 -3.996 -8.251 818 HB THR 53 HB THR 53 2.465 -3.062 -10.680 819 HG1 THR 53 1HG THR 53 2.851 -4.596 -12.248 820 1HG2 THR 53 1HG2 THR 53 4.625 -4.775 -9.544 821 2HG2 THR 53 2HG2 THR 53 4.566 -3.023 -9.746 822 3HG2 THR 53 3HG2 THR 53 4.786 -4.068 -11.151 823 H VAL 54 H VAL 54 1.148 -2.502 -7.779 824 HA VAL 54 HA VAL 54 -1.612 -2.827 -8.750 825 HB VAL 54 HB VAL 54 -0.608 -1.418 -6.270 826 1HG1 VAL 54 1HG1 VAL 54 -3.070 -1.405 -5.692 827 2HG1 VAL 54 2HG1 VAL 54 -3.372 -1.799 -7.384 828 3HG1 VAL 54 3HG1 VAL 54 -2.559 -0.293 -6.963 829 1HG2 VAL 54 1HG2 VAL 54 -2.405 -3.731 -6.034 830 2HG2 VAL 54 2HG2 VAL 54 -0.998 -3.282 -5.072 831 3HG2 VAL 54 3HG2 VAL 54 -0.783 -4.094 -6.622 832 H THR 55 H THR 55 -2.012 -1.481 -10.420 833 HA THR 55 HA THR 55 -0.723 1.152 -10.401 834 HB THR 55 HB THR 55 -2.174 -0.157 -12.696 835 HG1 THR 55 1HG THR 55 -0.100 -0.734 -13.412 836 1HG2 THR 55 1HG2 THR 55 -0.281 2.169 -12.525 837 2HG2 THR 55 2HG2 THR 55 -1.952 2.170 -13.096 838 3HG2 THR 55 3HG2 THR 55 -0.699 1.355 -14.034 839 H GLU 56 H GLU 56 -1.857 2.783 -9.639 840 HA GLU 56 HA GLU 56 -4.517 2.798 -8.932 841 1HB GLU 56 2HB GLU 56 -2.799 4.478 -8.255 842 2HB GLU 56 1HB GLU 56 -2.916 5.194 -9.857 843 1HG GLU 56 2HG GLU 56 -5.164 5.014 -7.860 844 2HG GLU 56 1HG GLU 56 -4.179 6.440 -8.169
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