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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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500860 |
2rre ![]() ![]() |
11250 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -11.354 -23.179 10.140 2 HA MET 1 HA MET 1 -10.508 -20.944 9.541 3 HB2 MET 1 2HB MET 1 -11.128 -21.292 7.164 4 HB3 MET 1 1HB MET 1 -10.633 -22.778 7.963 5 HG2 MET 1 2HG MET 1 -12.748 -23.666 7.929 6 HG3 MET 1 1HG MET 1 -13.526 -22.086 7.855 7 HE1 MET 1 2HE MET 1 -14.780 -24.206 5.463 8 HE2 MET 1 3HE MET 1 -14.967 -22.661 4.633 9 HE3 MET 1 1HE MET 1 -15.123 -22.744 6.387 10 H LYS 2 H LYS 2 -10.973 -18.887 8.771 11 HA LYS 2 HA LYS 2 -13.652 -17.924 9.421 12 HB2 LYS 2 2HB LYS 2 -10.951 -16.711 9.232 13 HB3 LYS 2 1HB LYS 2 -12.307 -15.676 8.807 14 HG2 LYS 2 2HG LYS 2 -13.202 -15.750 10.941 15 HG3 LYS 2 1HG LYS 2 -12.331 -17.226 11.362 16 HD2 LYS 2 2HD LYS 2 -10.327 -16.096 11.699 17 HD3 LYS 2 1HD LYS 2 -10.839 -14.705 10.741 18 HE2 LYS 2 2HE LYS 2 -12.494 -15.261 13.104 19 HE3 LYS 2 1HE LYS 2 -10.831 -14.796 13.457 20 HZ1 LYS 2 3HZ LYS 2 -12.532 -13.238 11.604 21 HZ2 LYS 2 1HZ LYS 2 -11.101 -12.757 12.370 22 HZ3 LYS 2 2HZ LYS 2 -12.522 -12.944 13.270 23 HA PRO 3 HA PRO 3 -14.984 -17.454 5.246 24 HB2 PRO 3 2HB PRO 3 -16.424 -15.135 5.414 25 HB3 PRO 3 1HB PRO 3 -17.007 -16.695 6.007 26 HG2 PRO 3 2HG PRO 3 -15.758 -14.437 7.523 27 HG3 PRO 3 1HG PRO 3 -17.150 -15.446 7.960 28 HD2 PRO 3 2HD PRO 3 -14.702 -15.859 9.008 29 HD3 PRO 3 1HD PRO 3 -15.818 -17.199 8.668 30 H ARG 4 H ARG 4 -15.415 -15.236 3.746 31 HA ARG 4 HA ARG 4 -12.705 -14.158 3.451 32 HB2 ARG 4 2HB ARG 4 -13.396 -13.595 1.151 33 HB3 ARG 4 1HB ARG 4 -13.572 -15.309 1.498 34 HG2 ARG 4 2HG ARG 4 -15.646 -15.165 0.735 35 HG3 ARG 4 1HG ARG 4 -16.036 -14.199 2.160 36 HD2 ARG 4 2HD ARG 4 -15.314 -12.174 0.887 37 HD3 ARG 4 1HD ARG 4 -15.147 -13.194 -0.540 38 HE ARG 4 HE ARG 4 -17.721 -13.529 0.529 39 HH11 ARG 4 1HH1 ARG 4 -15.798 -11.127 -1.118 40 HH12 ARG 4 2HH1 ARG 4 -17.163 -10.362 -1.860 41 HH21 ARG 4 1HH2 ARG 4 -19.518 -12.525 -0.446 42 HH22 ARG 4 2HH2 ARG 4 -19.275 -11.155 -1.479 43 HA PRO 5 HA PRO 5 -14.566 -10.404 5.202 44 HB2 PRO 5 2HB PRO 5 -11.797 -9.417 4.943 45 HB3 PRO 5 1HB PRO 5 -12.830 -9.501 6.372 46 HG2 PRO 5 2HG PRO 5 -10.745 -11.154 6.056 47 HG3 PRO 5 1HG PRO 5 -12.248 -11.691 6.829 48 HD2 PRO 5 2HD PRO 5 -11.266 -12.182 4.042 49 HD3 PRO 5 1HD PRO 5 -12.083 -13.293 5.161 50 H GLY 6 H GLY 6 -12.102 -10.374 2.631 51 HA2 GLY 6 2HA GLY 6 -13.355 -9.407 0.519 52 HA3 GLY 6 1HA GLY 6 -13.292 -7.954 1.504 53 H VAL 7 H VAL 7 -10.655 -8.828 2.629 54 HA VAL 7 HA VAL 7 -9.029 -7.865 0.388 55 HB VAL 7 HB VAL 7 -7.288 -7.472 2.166 56 HG11 VAL 7 1HG1 VAL 7 -9.611 -5.901 3.061 57 HG12 VAL 7 2HG1 VAL 7 -9.308 -5.896 1.324 58 HG13 VAL 7 3HG1 VAL 7 -8.049 -5.369 2.441 59 HG21 VAL 7 3HG2 VAL 7 -8.883 -9.072 3.715 60 HG22 VAL 7 1HG2 VAL 7 -9.274 -7.458 4.311 61 HG23 VAL 7 2HG2 VAL 7 -7.602 -8.020 4.316 62 H PHE 8 H PHE 8 -7.679 -9.182 -0.644 63 HA PHE 8 HA PHE 8 -7.007 -11.757 0.617 64 HB2 PHE 8 2HB PHE 8 -8.031 -11.106 -1.985 65 HB3 PHE 8 1HB PHE 8 -6.452 -11.864 -2.159 66 HD1 PHE 8 1HD PHE 8 -9.428 -12.372 0.041 67 HD2 PHE 8 2HD PHE 8 -6.568 -14.105 -2.589 68 HE1 PHE 8 1HE PHE 8 -10.457 -14.580 0.384 69 HE2 PHE 8 2HE PHE 8 -7.591 -16.317 -2.252 70 HZ PHE 8 HZ PHE 8 -9.539 -16.556 -0.763 71 H VAL 9 H VAL 9 -4.941 -12.208 1.027 72 HA VAL 9 HA VAL 9 -2.667 -12.103 1.069 73 HB VAL 9 HB VAL 9 -2.854 -10.481 -1.473 74 HG11 VAL 9 1HG1 VAL 9 -0.620 -10.672 -1.675 75 HG12 VAL 9 2HG1 VAL 9 -0.590 -12.294 -0.981 76 HG13 VAL 9 3HG1 VAL 9 -0.676 -10.885 0.075 77 HG21 VAL 9 3HG2 VAL 9 -3.864 -12.982 -1.190 78 HG22 VAL 9 1HG2 VAL 9 -2.199 -13.341 -1.643 79 HG23 VAL 9 2HG2 VAL 9 -3.203 -12.340 -2.693 80 H ASP 10 H ASP 10 -3.514 -8.962 -0.399 81 HA ASP 10 HA ASP 10 -3.081 -7.512 2.017 82 HB2 ASP 10 2HB ASP 10 -1.083 -6.234 1.163 83 HB3 ASP 10 1HB ASP 10 -0.755 -7.903 1.614 84 H ARG 11 H ARG 11 -5.269 -7.390 0.610 85 HA ARG 11 HA ARG 11 -5.295 -5.535 -1.538 86 HB2 ARG 11 2HB ARG 11 -7.101 -7.297 -0.533 87 HB3 ARG 11 1HB ARG 11 -7.747 -5.783 0.086 88 HG2 ARG 11 2HG ARG 11 -8.385 -5.065 -1.950 89 HG3 ARG 11 1HG ARG 11 -6.990 -5.779 -2.759 90 HD2 ARG 11 2HD ARG 11 -8.140 -8.035 -2.222 91 HD3 ARG 11 1HD ARG 11 -9.587 -7.054 -1.990 92 HE ARG 11 HE ARG 11 -8.390 -7.773 -4.471 93 HH11 ARG 11 1HH1 ARG 11 -10.169 -5.233 -2.869 94 HH12 ARG 11 2HH1 ARG 11 -10.860 -4.622 -4.334 95 HH21 ARG 11 1HH2 ARG 11 -9.297 -6.967 -6.400 96 HH22 ARG 11 2HH2 ARG 11 -10.366 -5.605 -6.339 97 H LYS 12 H LYS 12 -5.481 -5.224 1.935 98 HA LYS 12 HA LYS 12 -6.583 -2.691 2.191 99 HB2 LYS 12 2HB LYS 12 -4.627 -4.264 3.818 100 HB3 LYS 12 1HB LYS 12 -4.933 -2.584 4.237 101 HG2 LYS 12 2HG LYS 12 -6.673 -3.277 5.414 102 HG3 LYS 12 1HG LYS 12 -7.459 -3.706 3.893 103 HD2 LYS 12 2HD LYS 12 -7.549 -5.673 5.153 104 HD3 LYS 12 1HD LYS 12 -6.169 -5.917 4.079 105 HE2 LYS 12 2HE LYS 12 -4.831 -4.870 6.076 106 HE3 LYS 12 1HE LYS 12 -6.227 -5.393 7.016 107 HZ1 LYS 12 3HZ LYS 12 -4.524 -7.086 7.006 108 HZ2 LYS 12 1HZ LYS 12 -4.521 -7.129 5.314 109 HZ3 LYS 12 2HZ LYS 12 -5.885 -7.644 6.172 110 H LEU 13 H LEU 13 -3.260 -3.629 1.450 111 HA LEU 13 HA LEU 13 -2.032 -1.140 1.689 112 HB2 LEU 13 2HB LEU 13 -1.138 -3.578 1.082 113 HB3 LEU 13 1HB LEU 13 -1.202 -2.919 -0.542 114 HG LEU 13 HG LEU 13 1.017 -2.618 0.275 115 HD11 LEU 13 1HD1 LEU 13 -0.377 -0.639 -0.810 116 HD12 LEU 13 2HD1 LEU 13 1.299 -0.437 -0.300 117 HD13 LEU 13 3HD1 LEU 13 -0.012 0.124 0.738 118 HD21 LEU 13 3HD2 LEU 13 0.507 -2.840 2.666 119 HD22 LEU 13 1HD2 LEU 13 -0.185 -1.218 2.660 120 HD23 LEU 13 2HD2 LEU 13 1.533 -1.443 2.334 121 H LYS 14 H LYS 14 -3.779 -2.568 -1.033 122 HA LYS 14 HA LYS 14 -3.270 -0.368 -2.792 123 HB2 LYS 14 2HB LYS 14 -3.845 -2.799 -3.421 124 HB3 LYS 14 1HB LYS 14 -5.516 -2.346 -3.109 125 HG2 LYS 14 2HG LYS 14 -4.965 -0.379 -4.749 126 HG3 LYS 14 1HG LYS 14 -3.685 -1.469 -5.284 127 HD2 LYS 14 2HD LYS 14 -5.511 -1.941 -6.687 128 HD3 LYS 14 1HD LYS 14 -5.505 -3.242 -5.493 129 HE2 LYS 14 2HE LYS 14 -7.259 -2.142 -4.238 130 HE3 LYS 14 1HE LYS 14 -7.218 -0.764 -5.337 131 HZ1 LYS 14 3HZ LYS 14 -9.045 -2.359 -5.772 132 HZ2 LYS 14 1HZ LYS 14 -7.892 -3.529 -6.178 133 HZ3 LYS 14 2HZ LYS 14 -8.029 -2.119 -7.103 134 H GLN 15 H GLN 15 -6.156 -1.493 -1.034 135 HA GLN 15 HA GLN 15 -7.855 0.602 -1.762 136 HB2 GLN 15 2HB GLN 15 -8.495 -1.562 -0.627 137 HB3 GLN 15 1HB GLN 15 -7.916 -0.861 0.878 138 HG2 GLN 15 2HG GLN 15 -10.180 -0.463 0.975 139 HG3 GLN 15 1HG GLN 15 -9.553 1.060 0.346 140 HE21 GLN 15 1HE2 GLN 15 -10.377 -2.088 -1.076 141 HE22 GLN 15 2HE2 GLN 15 -11.400 -1.452 -2.315 142 H ARG 16 H ARG 16 -5.694 0.272 1.031 143 HA ARG 16 HA ARG 16 -6.405 2.698 2.275 144 HB2 ARG 16 2HB ARG 16 -5.051 0.690 3.197 145 HB3 ARG 16 1HB ARG 16 -3.660 1.490 2.477 146 HG2 ARG 16 2HG ARG 16 -3.723 2.136 4.746 147 HG3 ARG 16 1HG ARG 16 -4.270 3.529 3.810 148 HD2 ARG 16 2HD ARG 16 -5.669 3.220 5.767 149 HD3 ARG 16 1HD ARG 16 -6.597 2.931 4.298 150 HE ARG 16 HE ARG 16 -6.179 0.494 4.776 151 HH11 ARG 16 1HH1 ARG 16 -6.291 2.868 7.346 152 HH12 ARG 16 2HH1 ARG 16 -6.782 1.720 8.543 153 HH21 ARG 16 1HH2 ARG 16 -6.826 -1.002 6.355 154 HH22 ARG 16 2HH2 ARG 16 -7.086 -0.472 7.984 155 H VAL 17 H VAL 17 -3.817 1.884 -0.013 156 HA VAL 17 HA VAL 17 -2.617 4.437 -0.044 157 HB VAL 17 HB VAL 17 -2.545 2.106 -1.937 158 HG11 VAL 17 1HG1 VAL 17 -1.588 4.880 -2.446 159 HG12 VAL 17 2HG1 VAL 17 -2.261 3.694 -3.564 160 HG13 VAL 17 3HG1 VAL 17 -0.600 3.527 -2.997 161 HG21 VAL 17 3HG2 VAL 17 -0.444 1.710 -1.089 162 HG22 VAL 17 1HG2 VAL 17 -1.267 2.370 0.326 163 HG23 VAL 17 2HG2 VAL 17 -0.196 3.396 -0.630 164 H ILE 18 H ILE 18 -4.925 2.939 -2.334 165 HA ILE 18 HA ILE 18 -5.188 5.092 -4.062 166 HB ILE 18 HB ILE 18 -7.358 4.192 -4.714 167 HG12 ILE 18 2HG1 ILE 18 -7.057 2.311 -2.364 168 HG13 ILE 18 1HG1 ILE 18 -8.175 3.669 -2.428 169 HG21 ILE 18 1HG2 ILE 18 -4.914 2.893 -4.850 170 HG22 ILE 18 2HG2 ILE 18 -6.336 2.571 -5.841 171 HG23 ILE 18 3HG2 ILE 18 -6.052 1.631 -4.376 172 HD11 ILE 18 3HD1 ILE 18 -9.294 2.613 -4.349 173 HD12 ILE 18 1HD1 ILE 18 -9.340 1.618 -2.894 174 HD13 ILE 18 2HD1 ILE 18 -8.209 1.231 -4.190 175 H GLN 19 H GLN 19 -6.737 4.508 -0.962 176 HA GLN 19 HA GLN 19 -8.585 6.672 -1.155 177 HB2 GLN 19 2HB GLN 19 -7.587 4.990 1.133 178 HB3 GLN 19 1HB GLN 19 -8.694 6.332 1.389 179 HG2 GLN 19 2HG GLN 19 -9.698 4.699 -0.720 180 HG3 GLN 19 1HG GLN 19 -9.293 3.676 0.658 181 HE21 GLN 19 1HE2 GLN 19 -10.451 3.858 2.541 182 HE22 GLN 19 2HE2 GLN 19 -11.906 4.780 2.669 183 H TYR 20 H TYR 20 -5.303 6.315 0.011 184 HA TYR 20 HA TYR 20 -5.200 8.822 1.370 185 HB2 TYR 20 2HB TYR 20 -3.338 6.635 0.749 186 HB3 TYR 20 1HB TYR 20 -2.584 8.225 0.806 187 HD1 TYR 20 1HD TYR 20 -4.184 9.528 2.932 188 HD2 TYR 20 2HD TYR 20 -2.594 5.588 2.698 189 HE1 TYR 20 1HE TYR 20 -4.124 9.412 5.388 190 HE2 TYR 20 2HE TYR 20 -2.531 5.462 5.153 191 HH TYR 20 HH TYR 20 -2.481 7.766 7.115 192 H LEU 21 H LEU 21 -4.317 7.726 -1.870 193 HA LEU 21 HA LEU 21 -3.100 10.197 -2.629 194 HB2 LEU 21 2HB LEU 21 -4.251 8.292 -4.625 195 HB3 LEU 21 1HB LEU 21 -2.805 9.273 -4.740 196 HG LEU 21 HG LEU 21 -2.668 7.241 -2.633 197 HD11 LEU 21 1HD1 LEU 21 -3.204 5.411 -3.762 198 HD12 LEU 21 2HD1 LEU 21 -2.166 5.883 -5.105 199 HD13 LEU 21 3HD1 LEU 21 -3.839 6.431 -5.050 200 HD21 LEU 21 3HD2 LEU 21 -0.462 7.026 -3.349 201 HD22 LEU 21 1HD2 LEU 21 -0.830 8.733 -3.608 202 HD23 LEU 21 2HD2 LEU 21 -0.833 7.612 -4.971 203 H SER 22 H SER 22 -6.283 8.732 -3.156 204 HA SER 22 HA SER 22 -7.355 10.713 -4.815 205 HB2 SER 22 2HB SER 22 -8.356 8.438 -4.283 206 HB3 SER 22 1HB SER 22 -8.932 9.140 -2.771 207 HG SER 22 HG SER 22 -10.383 9.167 -4.702 208 H SER 23 H SER 23 -7.431 10.392 -1.282 209 HA SER 23 HA SER 23 -8.951 12.706 -0.777 210 HB2 SER 23 2HB SER 23 -8.180 12.498 1.528 211 HB3 SER 23 1HB SER 23 -8.570 10.903 0.885 212 HG SER 23 HG SER 23 -6.554 10.997 2.036 213 H ASN 24 H ASN 24 -5.497 12.183 -1.192 214 HA ASN 24 HA ASN 24 -5.012 14.861 -1.932 215 HB2 ASN 24 2HB ASN 24 -3.649 15.597 -0.032 216 HB3 ASN 24 1HB ASN 24 -5.306 15.283 0.471 217 HD21 ASN 24 1HD2 ASN 24 -5.718 13.134 1.420 218 HD22 ASN 24 2HD2 ASN 24 -4.490 12.438 2.418 219 H ARG 25 H ARG 25 -2.598 15.303 -2.085 220 HA ARG 25 HA ARG 25 -1.366 13.249 -3.533 221 HB2 ARG 25 2HB ARG 25 -0.644 15.938 -2.600 222 HB3 ARG 25 1HB ARG 25 0.730 14.858 -2.789 223 HG2 ARG 25 2HG ARG 25 -0.647 14.412 -5.098 224 HG3 ARG 25 1HG ARG 25 -0.962 16.123 -4.807 225 HD2 ARG 25 2HD ARG 25 1.666 16.073 -4.303 226 HD3 ARG 25 1HD ARG 25 1.572 14.733 -5.444 227 HE ARG 25 HE ARG 25 1.153 16.231 -7.126 228 HH11 ARG 25 1HH1 ARG 25 0.742 17.830 -4.052 229 HH12 ARG 25 2HH1 ARG 25 0.594 19.408 -4.750 230 HH21 ARG 25 1HH2 ARG 25 0.962 18.305 -8.047 231 HH22 ARG 25 2HH2 ARG 25 0.719 19.678 -7.019 232 H CYS 26 H CYS 26 -1.123 14.178 -0.156 233 HA CYS 26 HA CYS 26 -0.165 13.181 1.649 234 HB2 CYS 26 2HB CYS 26 -1.400 11.187 0.321 235 HB3 CYS 26 1HB CYS 26 0.256 10.595 0.260 236 HG CYS 26 HG CYS 26 -0.765 11.334 3.059 237 H GLY 27 H GLY 27 1.521 14.471 -0.345 238 HA2 GLY 27 2HA GLY 27 3.961 14.528 0.475 239 HA3 GLY 27 1HA GLY 27 3.992 12.883 -0.142 240 H LYS 28 H LYS 28 5.737 14.851 -1.051 241 HA LYS 28 HA LYS 28 4.699 15.784 -3.606 242 HB2 LYS 28 2HB LYS 28 6.507 16.852 -1.843 243 HB3 LYS 28 1HB LYS 28 7.563 16.154 -3.064 244 HG2 LYS 28 2HG LYS 28 6.497 17.444 -4.793 245 HG3 LYS 28 1HG LYS 28 5.306 18.060 -3.646 246 HD2 LYS 28 2HD LYS 28 7.548 18.796 -2.381 247 HD3 LYS 28 1HD LYS 28 8.140 18.819 -4.042 248 HE2 LYS 28 2HE LYS 28 5.673 20.254 -3.068 249 HE3 LYS 28 1HE LYS 28 7.254 21.004 -3.286 250 HZ1 LYS 28 3HZ LYS 28 6.181 19.559 -5.572 251 HZ2 LYS 28 1HZ LYS 28 7.041 21.015 -5.517 252 HZ3 LYS 28 2HZ LYS 28 5.388 20.995 -5.161 253 H TYR 29 H TYR 29 4.517 14.138 -5.022 254 HA TYR 29 HA TYR 29 5.088 12.459 -6.444 255 HB2 TYR 29 2HB TYR 29 7.853 13.607 -6.015 256 HB3 TYR 29 1HB TYR 29 7.429 12.455 -7.277 257 HD1 TYR 29 2HD TYR 29 5.338 13.234 -8.758 258 HD2 TYR 29 1HD TYR 29 7.913 15.836 -6.590 259 HE1 TYR 29 2HE TYR 29 4.702 15.090 -10.241 260 HE2 TYR 29 1HE TYR 29 7.284 17.699 -8.067 261 HH TYR 29 HH TYR 29 5.531 17.230 -10.974 262 H VAL 30 H VAL 30 4.523 11.319 -4.227 263 HA VAL 30 HA VAL 30 6.626 9.964 -2.880 264 HB VAL 30 HB VAL 30 4.443 10.351 -1.823 265 HG11 VAL 30 1HG1 VAL 30 3.156 9.895 -3.966 266 HG12 VAL 30 2HG1 VAL 30 2.461 9.264 -2.474 267 HG13 VAL 30 3HG1 VAL 30 3.317 8.183 -3.574 268 HG21 VAL 30 3HG2 VAL 30 5.380 7.510 -2.112 269 HG22 VAL 30 1HG2 VAL 30 4.086 7.965 -1.003 270 HG23 VAL 30 2HG2 VAL 30 5.699 8.647 -0.802 271 H ASP 31 H ASP 31 7.839 8.397 -3.693 272 HA ASP 31 HA ASP 31 6.906 6.842 -5.963 273 HB2 ASP 31 2HB ASP 31 9.530 7.386 -4.686 274 HB3 ASP 31 1HB ASP 31 9.351 5.832 -5.495 275 H THR 32 H THR 32 7.963 4.429 -5.763 276 HA THR 32 HA THR 32 6.213 3.004 -4.123 277 HB THR 32 HB THR 32 7.729 1.044 -4.604 278 HG1 THR 32 1HG THR 32 9.168 2.918 -6.162 279 HG21 THR 32 3HG2 THR 32 7.519 2.190 -7.260 280 HG22 THR 32 1HG2 THR 32 6.035 2.350 -6.323 281 HG23 THR 32 2HG2 THR 32 6.751 0.758 -6.574 282 H GLY 33 H GLY 33 9.740 3.404 -3.716 283 HA2 GLY 33 2HA GLY 33 9.871 2.188 -1.184 284 HA3 GLY 33 1HA GLY 33 11.064 3.295 -1.846 285 H ILE 34 H ILE 34 9.182 5.497 -2.133 286 HA ILE 34 HA ILE 34 9.445 6.594 0.489 287 HB ILE 34 HB ILE 34 7.860 7.749 -1.802 288 HG12 ILE 34 2HG1 ILE 34 10.805 8.053 -1.170 289 HG13 ILE 34 1HG1 ILE 34 10.131 7.200 -2.554 290 HG21 ILE 34 1HG2 ILE 34 7.838 9.726 -0.673 291 HG22 ILE 34 2HG2 ILE 34 9.353 9.392 0.166 292 HG23 ILE 34 3HG2 ILE 34 7.860 8.620 0.701 293 HD11 ILE 34 3HD1 ILE 34 9.326 10.018 -2.232 294 HD12 ILE 34 1HD1 ILE 34 9.709 9.101 -3.688 295 HD13 ILE 34 2HD1 ILE 34 11.008 9.715 -2.665 296 H LEU 35 H LEU 35 6.657 5.659 -1.513 297 HA LEU 35 HA LEU 35 4.653 6.367 0.303 298 HB2 LEU 35 2HB LEU 35 4.184 5.843 -2.025 299 HB3 LEU 35 1HB LEU 35 4.676 4.179 -1.776 300 HG LEU 35 HG LEU 35 2.776 3.949 -0.144 301 HD11 LEU 35 1HD1 LEU 35 1.094 5.572 0.008 302 HD12 LEU 35 2HD1 LEU 35 1.723 6.477 -1.368 303 HD13 LEU 35 3HD1 LEU 35 2.604 6.473 0.159 304 HD21 LEU 35 3HD2 LEU 35 1.402 3.241 -1.799 305 HD22 LEU 35 1HD2 LEU 35 2.830 3.547 -2.787 306 HD23 LEU 35 2HD2 LEU 35 1.539 4.745 -2.709 307 H ALA 36 H ALA 36 6.583 3.441 0.013 308 HA ALA 36 HA ALA 36 5.121 1.827 1.795 309 HB1 ALA 36 1HB ALA 36 8.095 1.649 1.385 310 HB2 ALA 36 2HB ALA 36 6.934 1.108 0.172 311 HB3 ALA 36 3HB ALA 36 6.960 0.353 1.765 312 H SER 37 H SER 37 8.023 3.822 2.339 313 HA SER 37 HA SER 37 8.202 3.314 5.106 314 HB2 SER 37 2HB SER 37 9.182 5.766 3.627 315 HB3 SER 37 1HB SER 37 9.769 5.164 5.177 316 HG SER 37 HG SER 37 11.053 4.592 3.279 317 H ASP 38 H ASP 38 6.388 5.649 3.239 318 HA ASP 38 HA ASP 38 5.667 7.294 5.464 319 HB2 ASP 38 2HB ASP 38 4.941 7.127 2.589 320 HB3 ASP 38 1HB ASP 38 3.772 7.898 3.657 321 H LEU 39 H LEU 39 3.977 4.787 3.592 322 HA LEU 39 HA LEU 39 1.548 4.873 4.967 323 HB2 LEU 39 2HB LEU 39 2.468 3.496 2.839 324 HB3 LEU 39 1HB LEU 39 2.487 2.225 4.046 325 HG LEU 39 HG LEU 39 0.097 2.590 4.476 326 HD11 LEU 39 1HD1 LEU 39 -1.132 4.013 2.767 327 HD12 LEU 39 2HD1 LEU 39 0.436 4.735 2.403 328 HD13 LEU 39 3HD1 LEU 39 -0.242 4.870 4.026 329 HD21 LEU 39 3HD2 LEU 39 1.061 1.093 2.599 330 HD22 LEU 39 1HD2 LEU 39 0.396 2.313 1.512 331 HD23 LEU 39 2HD2 LEU 39 -0.669 1.441 2.615 332 H GLN 40 H GLN 40 4.526 3.118 5.668 333 HA GLN 40 HA GLN 40 3.418 1.628 7.843 334 HB2 GLN 40 2HB GLN 40 5.706 0.949 8.301 335 HB3 GLN 40 1HB GLN 40 5.383 0.847 6.576 336 HG2 GLN 40 2HG GLN 40 6.575 2.905 6.189 337 HG3 GLN 40 1HG GLN 40 6.814 3.126 7.921 338 HE21 GLN 40 1HE2 GLN 40 7.383 0.703 5.390 339 HE22 GLN 40 2HE2 GLN 40 8.946 0.231 5.954 340 H ARG 41 H ARG 41 5.160 4.665 7.522 341 HA ARG 41 HA ARG 41 5.723 5.087 10.244 342 HB2 ARG 41 2HB ARG 41 5.712 6.691 7.783 343 HB3 ARG 41 1HB ARG 41 5.397 7.620 9.242 344 HG2 ARG 41 2HG ARG 41 7.484 7.253 10.095 345 HG3 ARG 41 1HG ARG 41 7.685 5.722 9.242 346 HD2 ARG 41 2HD ARG 41 8.254 6.768 7.244 347 HD3 ARG 41 1HD ARG 41 7.534 8.302 7.731 348 HE ARG 41 HE ARG 41 9.532 8.878 8.661 349 HH11 ARG 41 1HH1 ARG 41 9.440 5.404 8.332 350 HH12 ARG 41 2HH1 ARG 41 11.075 5.186 8.856 351 HH21 ARG 41 1HH2 ARG 41 11.683 8.592 9.350 352 HH22 ARG 41 2HH2 ARG 41 12.349 6.996 9.434 353 H LEU 42 H LEU 42 2.979 6.155 8.248 354 HA LEU 42 HA LEU 42 1.642 7.458 10.393 355 HB2 LEU 42 2HB LEU 42 -0.328 7.422 8.841 356 HB3 LEU 42 1HB LEU 42 1.117 8.184 8.204 357 HG LEU 42 HG LEU 42 1.422 5.639 7.277 358 HD11 LEU 42 1HD1 LEU 42 -0.531 4.603 6.763 359 HD12 LEU 42 2HD1 LEU 42 -1.443 6.110 6.693 360 HD13 LEU 42 3HD1 LEU 42 -1.031 5.401 8.254 361 HD21 LEU 42 3HD2 LEU 42 1.748 7.550 5.903 362 HD22 LEU 42 1HD2 LEU 42 0.050 8.010 6.031 363 HD23 LEU 42 2HD2 LEU 42 0.506 6.565 5.128 364 H TYR 43 H TYR 43 1.617 4.200 9.120 365 HA TYR 43 HA TYR 43 -0.374 3.464 11.165 366 HB2 TYR 43 2HB TYR 43 0.136 2.380 8.412 367 HB3 TYR 43 1HB TYR 43 -0.616 1.366 9.637 368 HD1 TYR 43 1HD TYR 43 -2.287 3.451 11.018 369 HD2 TYR 43 2HD TYR 43 -1.622 2.672 6.889 370 HE1 TYR 43 1HE TYR 43 -4.477 4.432 10.486 371 HE2 TYR 43 2HE TYR 43 -3.811 3.653 6.346 372 HH TYR 43 HH TYR 43 -6.154 4.349 8.722 373 H SER 44 H SER 44 2.067 3.702 12.151 374 HA SER 44 HA SER 44 3.751 1.444 11.893 375 HB2 SER 44 2HB SER 44 4.059 3.882 13.017 376 HB3 SER 44 1HB SER 44 3.782 2.914 14.465 377 HG SER 44 HG SER 44 5.461 1.480 13.539 378 H VAL 45 H VAL 45 0.959 2.134 13.862 379 HA VAL 45 HA VAL 45 1.365 -0.025 15.701 380 HB VAL 45 HB VAL 45 0.040 1.965 16.303 381 HG11 VAL 45 1HG1 VAL 45 -2.311 2.100 15.448 382 HG12 VAL 45 2HG1 VAL 45 -1.865 0.911 14.224 383 HG13 VAL 45 3HG1 VAL 45 -1.066 2.481 14.258 384 HG21 VAL 45 3HG2 VAL 45 -2.112 0.452 16.934 385 HG22 VAL 45 1HG2 VAL 45 -0.577 0.400 17.801 386 HG23 VAL 45 2HG2 VAL 45 -0.929 -0.801 16.557 387 H ASP 46 H ASP 46 -0.288 0.398 12.649 388 HA ASP 46 HA ASP 46 -1.418 -2.298 12.832 389 HB2 ASP 46 2HB ASP 46 -2.587 -0.032 11.956 390 HB3 ASP 46 1HB ASP 46 -1.935 -0.633 10.435 391 H TYR 47 H TYR 47 0.053 -0.385 10.206 392 HA TYR 47 HA TYR 47 0.960 -2.721 8.844 393 HB2 TYR 47 2HB TYR 47 1.291 0.229 8.442 394 HB3 TYR 47 1HB TYR 47 2.296 -0.891 7.527 395 HD1 TYR 47 2HD TYR 47 0.434 -3.083 6.961 396 HD2 TYR 47 1HD TYR 47 -0.214 1.122 6.911 397 HE1 TYR 47 2HE TYR 47 -1.386 -3.388 5.335 398 HE2 TYR 47 1HE TYR 47 -2.035 0.828 5.286 399 HH TYR 47 HH TYR 47 -2.549 -2.054 3.602 400 H GLY 48 H GLY 48 2.451 -0.376 11.004 401 HA2 GLY 48 2HA GLY 48 5.138 -1.010 10.600 402 HA3 GLY 48 1HA GLY 48 4.467 -0.399 12.105 403 H ARG 49 H ARG 49 5.387 -3.242 10.309 404 HA ARG 49 HA ARG 49 5.211 -4.806 12.799 405 HB2 ARG 49 2HB ARG 49 4.665 -6.773 11.532 406 HB3 ARG 49 1HB ARG 49 3.549 -5.498 11.066 407 HG2 ARG 49 2HG ARG 49 5.091 -5.062 9.101 408 HG3 ARG 49 1HG ARG 49 5.876 -6.588 9.515 409 HD2 ARG 49 2HD ARG 49 2.941 -6.246 8.904 410 HD3 ARG 49 1HD ARG 49 4.151 -6.845 7.770 411 HE ARG 49 HE ARG 49 4.035 -8.330 10.229 412 HH11 ARG 49 1HH1 ARG 49 2.697 -7.991 7.023 413 HH12 ARG 49 2HH1 ARG 49 2.155 -9.634 6.940 414 HH21 ARG 49 1HH2 ARG 49 3.323 -10.491 10.121 415 HH22 ARG 49 2HH2 ARG 49 2.510 -11.053 8.699 416 H ARG 50 H ARG 50 6.553 -7.082 11.857 417 HA ARG 50 HA ARG 50 9.281 -6.039 11.756 418 HB2 ARG 50 2HB ARG 50 8.017 -8.555 12.709 419 HB3 ARG 50 1HB ARG 50 9.663 -8.664 12.102 420 HG2 ARG 50 2HG ARG 50 10.259 -6.813 13.696 421 HG3 ARG 50 1HG ARG 50 8.654 -7.015 14.401 422 HD2 ARG 50 2HD ARG 50 9.340 -9.520 14.564 423 HD3 ARG 50 1HD ARG 50 10.980 -8.894 14.406 424 HE ARG 50 HE ARG 50 9.946 -7.381 16.387 425 HH11 ARG 50 1HH1 ARG 50 10.087 -10.828 15.866 426 HH12 ARG 50 2HH1 ARG 50 10.135 -11.207 17.554 427 HH21 ARG 50 1HH2 ARG 50 10.010 -7.878 18.609 428 HH22 ARG 50 2HH2 ARG 50 10.091 -9.533 19.112 429 H LYS 51 H LYS 51 7.774 -5.886 9.369 430 HA LYS 51 HA LYS 51 9.352 -7.689 7.673 431 HB2 LYS 51 2HB LYS 51 6.411 -7.356 7.758 432 HB3 LYS 51 1HB LYS 51 7.136 -7.414 6.158 433 HG2 LYS 51 2HG LYS 51 7.347 -9.505 8.312 434 HG3 LYS 51 1HG LYS 51 6.437 -9.619 6.805 435 HD2 LYS 51 2HD LYS 51 8.242 -10.523 5.867 436 HD3 LYS 51 1HD LYS 51 9.050 -8.965 6.047 437 HE2 LYS 51 2HE LYS 51 10.263 -10.957 7.011 438 HE3 LYS 51 1HE LYS 51 10.019 -9.596 8.106 439 HZ1 LYS 51 3HZ LYS 51 9.479 -12.061 8.811 440 HZ2 LYS 51 1HZ LYS 51 7.991 -11.702 8.090 441 HZ3 LYS 51 2HZ LYS 51 8.559 -10.759 9.374 442 H ARG 52 H ARG 52 10.646 -5.635 7.753 443 HA ARG 52 HA ARG 52 9.708 -3.278 6.498 444 HB2 ARG 52 2HB ARG 52 11.878 -3.862 7.980 445 HB3 ARG 52 1HB ARG 52 12.605 -3.900 6.379 446 HG2 ARG 52 2HG ARG 52 11.523 -1.612 6.030 447 HG3 ARG 52 1HG ARG 52 11.279 -1.606 7.778 448 HD2 ARG 52 2HD ARG 52 13.945 -2.018 6.432 449 HD3 ARG 52 1HD ARG 52 13.366 -0.463 7.027 450 HE ARG 52 HE ARG 52 14.399 -2.645 8.590 451 HH11 ARG 52 1HH1 ARG 52 12.387 0.206 8.630 452 HH12 ARG 52 2HH1 ARG 52 12.562 0.457 10.335 453 HH21 ARG 52 1HH2 ARG 52 14.630 -2.317 10.832 454 HH22 ARG 52 2HH2 ARG 52 13.835 -0.975 11.585 455 H ASN 53 H ASN 53 11.552 -6.060 5.305 456 HA ASN 53 HA ASN 53 11.876 -5.004 2.674 457 HB2 ASN 53 2HB ASN 53 12.069 -7.893 3.542 458 HB3 ASN 53 1HB ASN 53 12.780 -7.168 2.103 459 HD21 ASN 53 1HD2 ASN 53 12.997 -7.524 5.543 460 HD22 ASN 53 2HD2 ASN 53 14.588 -6.872 5.717 461 H ALA 54 H ALA 54 9.727 -7.470 4.075 462 HA ALA 54 HA ALA 54 8.374 -8.138 1.716 463 HB1 ALA 54 1HB ALA 54 6.476 -8.661 3.487 464 HB2 ALA 54 2HB ALA 54 7.808 -8.421 4.616 465 HB3 ALA 54 3HB ALA 54 7.928 -9.653 3.360 466 H PHE 55 H PHE 55 7.501 -5.798 4.256 467 HA PHE 55 HA PHE 55 5.118 -4.895 3.113 468 HB2 PHE 55 2HB PHE 55 5.989 -4.406 5.442 469 HB3 PHE 55 1HB PHE 55 7.019 -3.178 4.712 470 HD1 PHE 55 2HD PHE 55 3.434 -4.217 4.679 471 HD2 PHE 55 1HD PHE 55 6.246 -1.023 4.726 472 HE1 PHE 55 2HE PHE 55 1.586 -2.597 4.809 473 HE2 PHE 55 1HE PHE 55 4.404 0.603 4.858 474 HZ PHE 55 HZ PHE 55 2.070 -0.184 4.898 475 H ARG 56 H ARG 56 8.453 -3.884 2.582 476 HA ARG 56 HA ARG 56 7.948 -1.597 1.043 477 HB2 ARG 56 2HB ARG 56 10.256 -3.494 1.266 478 HB3 ARG 56 1HB ARG 56 10.265 -2.258 0.016 479 HG2 ARG 56 2HG ARG 56 9.784 -1.559 2.888 480 HG3 ARG 56 1HG ARG 56 11.415 -1.743 2.242 481 HD2 ARG 56 2HD ARG 56 9.880 -0.117 0.463 482 HD3 ARG 56 1HD ARG 56 9.720 0.513 2.102 483 HE ARG 56 HE ARG 56 12.080 0.525 0.457 484 HH11 ARG 56 1HH1 ARG 56 10.863 0.649 3.727 485 HH12 ARG 56 2HH1 ARG 56 12.267 1.447 4.352 486 HH21 ARG 56 1HH2 ARG 56 13.929 1.572 1.279 487 HH22 ARG 56 2HH2 ARG 56 14.008 1.971 2.963 488 H ILE 57 H ILE 57 8.327 -4.990 0.110 489 HA ILE 57 HA ILE 57 8.192 -4.591 -2.678 490 HB ILE 57 HB ILE 57 7.332 -7.048 -1.146 491 HG12 ILE 57 2HG1 ILE 57 10.028 -6.739 -2.402 492 HG13 ILE 57 1HG1 ILE 57 9.738 -6.011 -0.826 493 HG21 ILE 57 1HG2 ILE 57 7.738 -6.428 -4.005 494 HG22 ILE 57 2HG2 ILE 57 6.651 -7.584 -3.235 495 HG23 ILE 57 3HG2 ILE 57 8.357 -7.979 -3.438 496 HD11 ILE 57 3HD1 ILE 57 8.909 -8.819 -1.120 497 HD12 ILE 57 1HD1 ILE 57 9.695 -7.996 0.227 498 HD13 ILE 57 2HD1 ILE 57 10.643 -8.505 -1.171 499 H GLN 58 H GLN 58 5.704 -5.214 -0.241 500 HA GLN 58 HA GLN 58 3.537 -5.579 -1.979 501 HB2 GLN 58 2HB GLN 58 3.850 -4.813 0.882 502 HB3 GLN 58 1HB GLN 58 2.284 -4.536 0.130 503 HG2 GLN 58 2HG GLN 58 1.753 -6.681 0.260 504 HG3 GLN 58 1HG GLN 58 3.272 -7.171 -0.489 505 HE21 GLN 58 1HE2 GLN 58 3.501 -8.938 0.869 506 HE22 GLN 58 2HE2 GLN 58 3.928 -8.775 2.536 507 H VAL 59 H VAL 59 4.788 -2.637 -0.437 508 HA VAL 59 HA VAL 59 2.834 -0.893 -1.503 509 HB VAL 59 HB VAL 59 5.647 -0.171 -0.675 510 HG11 VAL 59 1HG1 VAL 59 4.931 1.794 -1.530 511 HG12 VAL 59 2HG1 VAL 59 4.119 1.925 0.030 512 HG13 VAL 59 3HG1 VAL 59 3.228 1.362 -1.384 513 HG21 VAL 59 3HG2 VAL 59 5.099 -0.324 1.500 514 HG22 VAL 59 1HG2 VAL 59 3.858 -1.440 0.928 515 HG23 VAL 59 2HG2 VAL 59 3.453 0.249 1.230 516 H GLU 60 H GLU 60 5.901 -2.085 -2.704 517 HA GLU 60 HA GLU 60 6.218 -0.231 -4.820 518 HB2 GLU 60 2HB GLU 60 7.306 -2.993 -4.314 519 HB3 GLU 60 1HB GLU 60 7.683 -2.109 -5.787 520 HG2 GLU 60 2HG GLU 60 8.108 -0.509 -3.407 521 HG3 GLU 60 1HG GLU 60 9.057 -1.996 -3.398 522 H LYS 61 H LYS 61 4.799 -3.482 -4.677 523 HA LYS 61 HA LYS 61 4.065 -3.490 -7.443 524 HB2 LYS 61 2HB LYS 61 3.630 -5.282 -5.104 525 HB3 LYS 61 1HB LYS 61 2.537 -5.444 -6.473 526 HG2 LYS 61 2HG LYS 61 4.377 -7.010 -6.647 527 HG3 LYS 61 1HG LYS 61 4.444 -5.824 -7.953 528 HD2 LYS 61 2HD LYS 61 6.123 -4.549 -6.668 529 HD3 LYS 61 1HD LYS 61 6.087 -5.798 -5.421 530 HE2 LYS 61 2HE LYS 61 6.727 -6.403 -8.295 531 HE3 LYS 61 1HE LYS 61 7.964 -5.932 -7.132 532 HZ1 LYS 61 3HZ LYS 61 6.887 -7.851 -5.751 533 HZ2 LYS 61 1HZ LYS 61 8.036 -8.189 -6.947 534 HZ3 LYS 61 2HZ LYS 61 6.390 -8.400 -7.273 535 H VAL 62 H VAL 62 2.502 -2.620 -4.433 536 HA VAL 62 HA VAL 62 -0.133 -2.452 -5.489 537 HB VAL 62 HB VAL 62 1.148 -1.429 -2.969 538 HG11 VAL 62 1HG1 VAL 62 -1.432 -0.984 -2.437 539 HG12 VAL 62 2HG1 VAL 62 -1.438 -0.609 -4.160 540 HG13 VAL 62 3HG1 VAL 62 -0.361 0.266 -3.072 541 HG21 VAL 62 3HG2 VAL 62 0.531 -3.433 -2.234 542 HG22 VAL 62 1HG2 VAL 62 -0.225 -3.800 -3.785 543 HG23 VAL 62 2HG2 VAL 62 -1.153 -2.998 -2.518 544 H PHE 63 H PHE 63 2.569 -0.241 -5.286 545 HA PHE 63 HA PHE 63 1.102 2.127 -5.852 546 HB2 PHE 63 2HB PHE 63 3.356 2.133 -4.823 547 HB3 PHE 63 1HB PHE 63 4.033 1.550 -6.340 548 HD1 PHE 63 1HD PHE 63 4.201 3.008 -8.271 549 HD2 PHE 63 2HD PHE 63 2.624 4.415 -4.576 550 HE1 PHE 63 1HE PHE 63 4.457 5.328 -9.049 551 HE2 PHE 63 2HE PHE 63 2.876 6.737 -5.349 552 HZ PHE 63 HZ PHE 63 3.794 7.197 -7.589 553 H SER 64 H SER 64 2.802 -0.241 -7.838 554 HA SER 64 HA SER 64 2.430 1.187 -10.288 555 HB2 SER 64 2HB SER 64 4.259 -0.500 -9.835 556 HB3 SER 64 1HB SER 64 3.031 -1.757 -9.974 557 HG SER 64 HG SER 64 4.238 -1.236 -11.942 558 H ILE 65 H ILE 65 0.701 -1.354 -8.582 559 HA ILE 65 HA ILE 65 -1.053 -1.982 -10.742 560 HB ILE 65 HB ILE 65 -0.475 -3.488 -8.784 561 HG12 ILE 65 2HG1 ILE 65 -3.443 -3.212 -9.230 562 HG13 ILE 65 1HG1 ILE 65 -2.359 -3.787 -10.493 563 HG21 ILE 65 1HG2 ILE 65 -1.683 -3.320 -6.753 564 HG22 ILE 65 2HG2 ILE 65 -2.693 -2.019 -7.384 565 HG23 ILE 65 3HG2 ILE 65 -0.984 -1.734 -7.065 566 HD11 ILE 65 3HD1 ILE 65 -2.441 -5.078 -7.793 567 HD12 ILE 65 1HD1 ILE 65 -1.837 -5.729 -9.316 568 HD13 ILE 65 2HD1 ILE 65 -3.570 -5.520 -9.073 569 H ILE 66 H ILE 66 -1.341 0.088 -7.873 570 HA ILE 66 HA ILE 66 -4.052 0.713 -8.109 571 HB ILE 66 HB ILE 66 -3.546 2.782 -6.858 572 HG12 ILE 66 2HG1 ILE 66 -0.668 1.901 -7.170 573 HG13 ILE 66 1HG1 ILE 66 -1.397 3.315 -7.924 574 HG21 ILE 66 1HG2 ILE 66 -3.861 1.191 -5.295 575 HG22 ILE 66 2HG2 ILE 66 -2.134 1.415 -5.015 576 HG23 ILE 66 3HG2 ILE 66 -2.699 0.087 -6.030 577 HD11 ILE 66 3HD1 ILE 66 -0.631 2.861 -5.086 578 HD12 ILE 66 1HD1 ILE 66 -1.943 3.977 -5.463 579 HD13 ILE 66 2HD1 ILE 66 -0.335 4.252 -6.130 580 H SER 67 H SER 67 -1.249 2.044 -9.756 581 HA SER 67 HA SER 67 -2.664 4.237 -10.927 582 HB2 SER 67 2HB SER 67 -0.214 4.272 -10.553 583 HB3 SER 67 1HB SER 67 -0.029 3.001 -11.761 584 HG SER 67 HG SER 67 -0.583 5.700 -12.084 585 H SER 68 H SER 68 -1.542 1.089 -12.137 586 HA SER 68 HA SER 68 -2.654 1.474 -14.737 587 HB2 SER 68 2HB SER 68 -0.807 0.007 -14.633 588 HB3 SER 68 1HB SER 68 -1.509 -0.913 -13.302 589 HG SER 68 HG SER 68 -2.438 -2.128 -14.724 590 H GLU 69 H GLU 69 -3.725 -0.232 -11.827 591 HA GLU 69 HA GLU 69 -6.003 -1.401 -13.089 592 HB2 GLU 69 2HB GLU 69 -4.686 -2.029 -10.872 593 HB3 GLU 69 1HB GLU 69 -5.920 -1.013 -10.138 594 HG2 GLU 69 2HG GLU 69 -6.579 -3.299 -11.967 595 HG3 GLU 69 1HG GLU 69 -6.393 -3.489 -10.225 596 H LYS 70 H LYS 70 -5.621 1.319 -10.806 597 HA LYS 70 HA LYS 70 -8.418 2.012 -11.119 598 HB2 LYS 70 2HB LYS 70 -6.352 2.547 -9.191 599 HB3 LYS 70 1HB LYS 70 -7.086 4.058 -9.707 600 HG2 LYS 70 2HG LYS 70 -8.332 3.381 -7.852 601 HG3 LYS 70 1HG LYS 70 -9.325 2.940 -9.244 602 HD2 LYS 70 2HD LYS 70 -9.116 0.726 -8.854 603 HD3 LYS 70 1HD LYS 70 -7.440 0.872 -8.323 604 HE2 LYS 70 2HE LYS 70 -8.822 0.154 -6.475 605 HE3 LYS 70 1HE LYS 70 -8.226 1.787 -6.175 606 HZ1 LYS 70 3HZ LYS 70 -10.862 1.394 -7.428 607 HZ2 LYS 70 1HZ LYS 70 -10.298 2.697 -6.508 608 HZ3 LYS 70 2HZ LYS 70 -10.698 1.238 -5.752 609 H GLU 71 H GLU 71 -5.277 3.537 -11.810 610 HA GLU 71 HA GLU 71 -4.664 5.144 -13.299 611 HB2 GLU 71 2HB GLU 71 -7.230 4.277 -14.639 612 HB3 GLU 71 1HB GLU 71 -6.077 5.392 -15.357 613 HG2 GLU 71 2HG GLU 71 -4.348 3.602 -15.170 614 HG3 GLU 71 1HG GLU 71 -5.631 2.502 -14.663 615 H LEU 72 H LEU 72 -4.878 6.775 -11.710 616 HA LEU 72 HA LEU 72 -7.368 8.300 -11.680 617 HB2 LEU 72 2HB LEU 72 -4.848 8.530 -10.035 618 HB3 LEU 72 1HB LEU 72 -6.231 9.593 -9.866 619 HG LEU 72 HG LEU 72 -7.488 7.262 -9.524 620 HD11 LEU 72 1HD1 LEU 72 -5.771 6.053 -7.900 621 HD12 LEU 72 2HD1 LEU 72 -4.614 6.717 -9.054 622 HD13 LEU 72 3HD1 LEU 72 -5.896 5.644 -9.611 623 HD21 LEU 72 3HD2 LEU 72 -6.912 9.390 -7.977 624 HD22 LEU 72 1HD2 LEU 72 -6.031 8.130 -7.114 625 HD23 LEU 72 2HD2 LEU 72 -7.764 7.959 -7.397 626 H LYS 73 H LYS 73 -3.921 8.741 -12.382 627 HA LYS 73 HA LYS 73 -2.796 10.283 -13.617 628 HB2 LYS 73 2HB LYS 73 -5.490 10.757 -14.905 629 HB3 LYS 73 1HB LYS 73 -3.930 11.229 -15.564 630 HG2 LYS 73 2HG LYS 73 -3.314 9.007 -15.991 631 HG3 LYS 73 1HG LYS 73 -4.598 8.366 -14.964 632 HD2 LYS 73 2HD LYS 73 -5.566 10.063 -17.140 633 HD3 LYS 73 1HD LYS 73 -4.714 8.620 -17.693 634 HE2 LYS 73 2HE LYS 73 -6.285 7.598 -15.721 635 HE3 LYS 73 1HE LYS 73 -7.311 8.887 -16.349 636 HZ1 LYS 73 3HZ LYS 73 -6.970 7.943 -18.589 637 HZ2 LYS 73 1HZ LYS 73 -7.759 6.878 -17.538 638 HZ3 LYS 73 2HZ LYS 73 -6.123 6.651 -17.899 639 H ASN 74 H ASN 74 -2.110 11.911 -12.374 640 HA ASN 74 HA ASN 74 -3.903 14.211 -12.026 641 HB2 ASN 74 2HB ASN 74 -3.384 12.602 -9.939 642 HB3 ASN 74 1HB ASN 74 -1.973 13.652 -9.839 643 HD21 ASN 74 1HD2 ASN 74 -2.802 16.070 -10.429 644 HD22 ASN 74 2HD2 ASN 74 -4.061 16.602 -9.371 Start of MODEL 2 1 H MET 1 H MET 1 -0.632 -16.320 8.393 2 HA MET 1 HA MET 1 -0.332 -17.260 6.123 3 HB2 MET 1 2HB MET 1 0.450 -18.691 8.663 4 HB3 MET 1 1HB MET 1 1.126 -19.110 7.095 5 HG2 MET 1 2HG MET 1 1.258 -16.260 7.748 6 HG3 MET 1 1HG MET 1 2.184 -17.305 8.824 7 HE1 MET 1 2HE MET 1 3.839 -15.338 5.564 8 HE2 MET 1 3HE MET 1 4.537 -15.553 7.169 9 HE3 MET 1 1HE MET 1 2.876 -14.986 6.999 10 H LYS 2 H LYS 2 -3.079 -17.885 6.547 11 HA LYS 2 HA LYS 2 -3.189 -20.796 6.223 12 HB2 LYS 2 2HB LYS 2 -5.637 -20.517 6.467 13 HB3 LYS 2 1HB LYS 2 -4.743 -19.901 7.850 14 HG2 LYS 2 2HG LYS 2 -5.365 -17.956 5.719 15 HG3 LYS 2 1HG LYS 2 -6.727 -18.561 6.663 16 HD2 LYS 2 2HD LYS 2 -6.078 -17.476 8.530 17 HD3 LYS 2 1HD LYS 2 -4.366 -17.789 8.236 18 HE2 LYS 2 2HE LYS 2 -4.752 -15.422 8.104 19 HE3 LYS 2 1HE LYS 2 -4.396 -16.031 6.487 20 HZ1 LYS 2 3HZ LYS 2 -6.221 -14.848 5.970 21 HZ2 LYS 2 1HZ LYS 2 -6.849 -14.889 7.540 22 HZ3 LYS 2 2HZ LYS 2 -7.048 -16.219 6.514 23 HA PRO 3 HA PRO 3 -3.894 -20.437 1.880 24 HB2 PRO 3 2HB PRO 3 -5.185 -22.729 1.356 25 HB3 PRO 3 1HB PRO 3 -3.496 -22.714 1.878 26 HG2 PRO 3 2HG PRO 3 -5.967 -23.264 3.474 27 HG3 PRO 3 1HG PRO 3 -4.406 -24.104 3.504 28 HD2 PRO 3 2HD PRO 3 -5.159 -22.211 5.340 29 HD3 PRO 3 1HD PRO 3 -3.472 -22.569 4.923 30 H ARG 4 H ARG 4 -6.371 -20.073 4.069 31 HA ARG 4 HA ARG 4 -8.705 -20.335 2.577 32 HB2 ARG 4 2HB ARG 4 -8.230 -19.679 5.113 33 HB3 ARG 4 1HB ARG 4 -8.479 -18.057 4.483 34 HG2 ARG 4 2HG ARG 4 -10.675 -18.754 3.620 35 HG3 ARG 4 1HG ARG 4 -10.424 -20.351 4.329 36 HD2 ARG 4 2HD ARG 4 -9.999 -18.960 6.515 37 HD3 ARG 4 1HD ARG 4 -10.939 -17.734 5.664 38 HE ARG 4 HE ARG 4 -12.381 -20.082 5.477 39 HH11 ARG 4 1HH1 ARG 4 -11.215 -18.005 8.027 40 HH12 ARG 4 2HH1 ARG 4 -12.515 -18.390 9.105 41 HH21 ARG 4 1HH2 ARG 4 -14.092 -20.588 6.893 42 HH22 ARG 4 2HH2 ARG 4 -14.148 -19.857 8.462 43 HA PRO 5 HA PRO 5 -8.229 -17.075 -0.411 44 HB2 PRO 5 2HB PRO 5 -10.750 -17.030 -1.377 45 HB3 PRO 5 1HB PRO 5 -9.622 -18.340 -1.743 46 HG2 PRO 5 2HG PRO 5 -11.829 -18.249 0.279 47 HG3 PRO 5 1HG PRO 5 -11.384 -19.557 -0.834 48 HD2 PRO 5 2HD PRO 5 -10.663 -19.534 1.788 49 HD3 PRO 5 1HD PRO 5 -9.683 -20.300 0.523 50 H GLY 6 H GLY 6 -9.968 -15.194 -1.154 51 HA2 GLY 6 2HA GLY 6 -11.670 -13.777 0.189 52 HA3 GLY 6 1HA GLY 6 -10.326 -13.633 1.312 53 H VAL 7 H VAL 7 -8.853 -12.073 0.993 54 HA VAL 7 HA VAL 7 -9.211 -10.363 -1.359 55 HB VAL 7 HB VAL 7 -7.889 -8.693 -0.110 56 HG11 VAL 7 1HG1 VAL 7 -10.491 -9.318 0.208 57 HG12 VAL 7 2HG1 VAL 7 -9.711 -7.938 0.981 58 HG13 VAL 7 3HG1 VAL 7 -9.931 -9.442 1.875 59 HG21 VAL 7 3HG2 VAL 7 -7.965 -9.647 2.512 60 HG22 VAL 7 1HG2 VAL 7 -6.536 -9.396 1.510 61 HG23 VAL 7 2HG2 VAL 7 -7.314 -10.978 1.555 62 H PHE 8 H PHE 8 -7.395 -9.573 -2.538 63 HA PHE 8 HA PHE 8 -5.515 -11.530 -3.238 64 HB2 PHE 8 2HB PHE 8 -5.916 -8.650 -3.868 65 HB3 PHE 8 1HB PHE 8 -4.330 -9.333 -4.209 66 HD1 PHE 8 2HD PHE 8 -7.928 -9.601 -4.965 67 HD2 PHE 8 1HD PHE 8 -3.985 -10.782 -6.044 68 HE1 PHE 8 2HE PHE 8 -8.788 -10.526 -7.077 69 HE2 PHE 8 1HE PHE 8 -4.837 -11.708 -8.158 70 HZ PHE 8 HZ PHE 8 -7.241 -11.582 -8.676 71 H VAL 9 H VAL 9 -3.045 -10.679 -3.363 72 HA VAL 9 HA VAL 9 -2.007 -11.016 -0.785 73 HB VAL 9 HB VAL 9 -0.541 -9.742 -3.095 74 HG11 VAL 9 1HG1 VAL 9 1.402 -10.206 -2.001 75 HG12 VAL 9 2HG1 VAL 9 0.725 -11.600 -1.158 76 HG13 VAL 9 3HG1 VAL 9 0.347 -9.967 -0.607 77 HG21 VAL 9 3HG2 VAL 9 0.183 -12.326 -3.233 78 HG22 VAL 9 1HG2 VAL 9 -1.136 -11.636 -4.179 79 HG23 VAL 9 2HG2 VAL 9 -1.484 -12.510 -2.687 80 H ASP 10 H ASP 10 -2.697 -9.553 0.719 81 HA ASP 10 HA ASP 10 -2.788 -7.621 1.914 82 HB2 ASP 10 2HB ASP 10 -0.233 -7.806 1.054 83 HB3 ASP 10 1HB ASP 10 -0.688 -6.273 0.316 84 H ARG 11 H ARG 11 -4.786 -7.634 0.283 85 HA ARG 11 HA ARG 11 -4.928 -5.712 -1.748 86 HB2 ARG 11 2HB ARG 11 -6.584 -7.598 -1.110 87 HB3 ARG 11 1HB ARG 11 -7.281 -6.411 -0.017 88 HG2 ARG 11 2HG ARG 11 -8.271 -5.281 -1.675 89 HG3 ARG 11 1HG ARG 11 -6.879 -5.440 -2.749 90 HD2 ARG 11 2HD ARG 11 -7.612 -7.421 -3.630 91 HD3 ARG 11 1HD ARG 11 -8.496 -7.867 -2.172 92 HE ARG 11 HE ARG 11 -9.487 -6.360 -4.409 93 HH11 ARG 11 1HH1 ARG 11 -9.887 -7.023 -1.006 94 HH12 ARG 11 2HH1 ARG 11 -11.556 -6.564 -0.985 95 HH21 ARG 11 1HH2 ARG 11 -11.682 -5.756 -4.383 96 HH22 ARG 11 2HH2 ARG 11 -12.576 -5.845 -2.902 97 H LYS 12 H LYS 12 -5.215 -5.433 1.723 98 HA LYS 12 HA LYS 12 -6.493 -2.971 1.938 99 HB2 LYS 12 2HB LYS 12 -4.571 -4.480 3.647 100 HB3 LYS 12 1HB LYS 12 -4.891 -2.797 4.046 101 HG2 LYS 12 2HG LYS 12 -6.426 -3.936 5.339 102 HG3 LYS 12 1HG LYS 12 -7.376 -3.477 3.925 103 HD2 LYS 12 2HD LYS 12 -6.027 -6.042 3.609 104 HD3 LYS 12 1HD LYS 12 -7.149 -6.017 4.971 105 HE2 LYS 12 2HE LYS 12 -8.758 -4.898 3.239 106 HE3 LYS 12 1HE LYS 12 -7.686 -5.649 2.057 107 HZ1 LYS 12 3HZ LYS 12 -8.417 -7.700 2.568 108 HZ2 LYS 12 1HZ LYS 12 -9.789 -6.875 3.115 109 HZ3 LYS 12 2HZ LYS 12 -8.601 -7.364 4.215 110 H LEU 13 H LEU 13 -3.101 -3.722 1.325 111 HA LEU 13 HA LEU 13 -2.012 -1.179 1.639 112 HB2 LEU 13 2HB LEU 13 -1.021 -3.601 0.961 113 HB3 LEU 13 1HB LEU 13 -0.968 -2.805 -0.600 114 HG LEU 13 HG LEU 13 1.166 -2.560 0.490 115 HD11 LEU 13 1HD1 LEU 13 1.356 -0.109 0.531 116 HD12 LEU 13 2HD1 LEU 13 -0.404 0.013 0.526 117 HD13 LEU 13 3HD1 LEU 13 0.436 -0.687 -0.858 118 HD21 LEU 13 3HD2 LEU 13 -0.290 -1.187 2.745 119 HD22 LEU 13 1HD2 LEU 13 1.443 -1.492 2.626 120 HD23 LEU 13 2HD2 LEU 13 0.320 -2.840 2.806 121 H LYS 14 H LYS 14 -3.666 -2.632 -1.112 122 HA LYS 14 HA LYS 14 -3.175 -0.431 -2.875 123 HB2 LYS 14 2HB LYS 14 -3.701 -2.865 -3.509 124 HB3 LYS 14 1HB LYS 14 -5.380 -2.458 -3.187 125 HG2 LYS 14 2HG LYS 14 -4.918 -0.486 -4.833 126 HG3 LYS 14 1HG LYS 14 -3.585 -1.511 -5.368 127 HD2 LYS 14 2HD LYS 14 -5.438 -2.018 -6.762 128 HD3 LYS 14 1HD LYS 14 -5.268 -3.367 -5.637 129 HE2 LYS 14 2HE LYS 14 -6.999 -1.297 -4.583 130 HE3 LYS 14 1HE LYS 14 -7.569 -1.894 -6.140 131 HZ1 LYS 14 3HZ LYS 14 -8.521 -3.213 -4.412 132 HZ2 LYS 14 1HZ LYS 14 -7.008 -3.509 -3.714 133 HZ3 LYS 14 2HZ LYS 14 -7.387 -4.168 -5.224 134 H GLN 15 H GLN 15 -6.029 -1.582 -1.088 135 HA GLN 15 HA GLN 15 -7.760 0.491 -1.844 136 HB2 GLN 15 2HB GLN 15 -8.397 -1.689 -0.754 137 HB3 GLN 15 1HB GLN 15 -7.835 -1.017 0.771 138 HG2 GLN 15 2HG GLN 15 -9.999 -0.458 0.988 139 HG3 GLN 15 1HG GLN 15 -9.505 0.934 0.026 140 HE21 GLN 15 1HE2 GLN 15 -11.657 -1.594 0.278 141 HE22 GLN 15 2HE2 GLN 15 -12.287 -1.574 -1.330 142 H ARG 16 H ARG 16 -5.634 0.158 0.977 143 HA ARG 16 HA ARG 16 -6.400 2.568 2.228 144 HB2 ARG 16 2HB ARG 16 -4.942 0.498 3.047 145 HB3 ARG 16 1HB ARG 16 -3.619 1.543 2.547 146 HG2 ARG 16 2HG ARG 16 -3.743 2.549 4.512 147 HG3 ARG 16 1HG ARG 16 -5.334 3.161 4.057 148 HD2 ARG 16 2HD ARG 16 -5.646 2.052 6.112 149 HD3 ARG 16 1HD ARG 16 -6.262 0.950 4.880 150 HE ARG 16 HE ARG 16 -3.512 0.488 5.578 151 HH11 ARG 16 1HH1 ARG 16 -6.830 -0.223 6.393 152 HH12 ARG 16 2HH1 ARG 16 -6.446 -1.710 7.193 153 HH21 ARG 16 1HH2 ARG 16 -3.005 -1.467 6.632 154 HH22 ARG 16 2HH2 ARG 16 -4.275 -2.416 7.330 155 H VAL 17 H VAL 17 -3.800 1.788 -0.047 156 HA VAL 17 HA VAL 17 -2.598 4.347 -0.031 157 HB VAL 17 HB VAL 17 -2.484 2.019 -1.924 158 HG11 VAL 17 1HG1 VAL 17 -1.583 4.803 -2.447 159 HG12 VAL 17 2HG1 VAL 17 -2.174 3.575 -3.565 160 HG13 VAL 17 3HG1 VAL 17 -0.527 3.481 -2.944 161 HG21 VAL 17 3HG2 VAL 17 -1.231 2.308 0.351 162 HG22 VAL 17 1HG2 VAL 17 -0.158 3.334 -0.602 163 HG23 VAL 17 2HG2 VAL 17 -0.391 1.644 -1.051 164 H ILE 18 H ILE 18 -4.862 2.848 -2.362 165 HA ILE 18 HA ILE 18 -5.118 5.010 -4.081 166 HB ILE 18 HB ILE 18 -7.264 4.091 -4.774 167 HG12 ILE 18 2HG1 ILE 18 -6.996 2.213 -2.417 168 HG13 ILE 18 1HG1 ILE 18 -8.122 3.562 -2.504 169 HG21 ILE 18 1HG2 ILE 18 -6.121 2.569 -5.909 170 HG22 ILE 18 2HG2 ILE 18 -6.049 1.520 -4.493 171 HG23 ILE 18 3HG2 ILE 18 -4.796 2.733 -4.757 172 HD11 ILE 18 3HD1 ILE 18 -9.357 1.629 -3.018 173 HD12 ILE 18 1HD1 ILE 18 -8.121 1.043 -4.131 174 HD13 ILE 18 2HD1 ILE 18 -9.088 2.455 -4.553 175 H GLN 19 H GLN 19 -6.720 4.387 -1.014 176 HA GLN 19 HA GLN 19 -8.575 6.543 -1.225 177 HB2 GLN 19 2HB GLN 19 -7.650 4.765 1.008 178 HB3 GLN 19 1HB GLN 19 -8.654 6.167 1.353 179 HG2 GLN 19 2HG GLN 19 -10.239 5.211 -0.426 180 HG3 GLN 19 1HG GLN 19 -9.325 3.717 -0.227 181 HE21 GLN 19 1HE2 GLN 19 -10.927 2.525 0.691 182 HE22 GLN 19 2HE2 GLN 19 -11.599 2.856 2.248 183 H TYR 20 H TYR 20 -5.317 6.193 0.012 184 HA TYR 20 HA TYR 20 -5.269 8.687 1.399 185 HB2 TYR 20 2HB TYR 20 -3.541 6.447 1.091 186 HB3 TYR 20 1HB TYR 20 -2.630 7.889 0.660 187 HD1 TYR 20 2HD TYR 20 -4.028 9.819 2.547 188 HD2 TYR 20 1HD TYR 20 -2.482 5.898 3.132 189 HE1 TYR 20 2HE TYR 20 -3.689 10.315 4.931 190 HE2 TYR 20 1HE TYR 20 -2.139 6.384 5.518 191 HH TYR 20 HH TYR 20 -3.556 8.738 7.138 192 H LEU 21 H LEU 21 -4.342 7.647 -1.843 193 HA LEU 21 HA LEU 21 -3.074 10.112 -2.534 194 HB2 LEU 21 2HB LEU 21 -4.238 8.253 -4.570 195 HB3 LEU 21 1HB LEU 21 -2.791 9.236 -4.674 196 HG LEU 21 HG LEU 21 -2.657 7.175 -2.593 197 HD11 LEU 21 1HD1 LEU 21 -3.082 5.331 -3.759 198 HD12 LEU 21 2HD1 LEU 21 -2.189 5.920 -5.160 199 HD13 LEU 21 3HD1 LEU 21 -3.880 6.368 -4.939 200 HD21 LEU 21 3HD2 LEU 21 -0.804 8.660 -3.483 201 HD22 LEU 21 1HD2 LEU 21 -0.827 7.645 -4.925 202 HD23 LEU 21 2HD2 LEU 21 -0.449 6.936 -3.354 203 H SER 22 H SER 22 -6.305 8.765 -2.986 204 HA SER 22 HA SER 22 -7.310 10.785 -4.670 205 HB2 SER 22 2HB SER 22 -8.387 8.553 -4.248 206 HB3 SER 22 1HB SER 22 -8.896 9.158 -2.672 207 HG SER 22 HG SER 22 -10.345 9.354 -4.665 208 H SER 23 H SER 23 -6.936 10.579 -1.200 209 HA SER 23 HA SER 23 -8.536 12.934 -0.698 210 HB2 SER 23 2HB SER 23 -7.150 10.897 0.932 211 HB3 SER 23 1HB SER 23 -7.199 12.514 1.635 212 HG SER 23 HG SER 23 -9.481 12.469 1.327 213 H ASN 24 H ASN 24 -5.104 12.076 -0.742 214 HA ASN 24 HA ASN 24 -4.396 14.811 -1.312 215 HB2 ASN 24 2HB ASN 24 -2.770 14.945 0.599 216 HB3 ASN 24 1HB ASN 24 -4.464 15.005 1.079 217 HD21 ASN 24 1HD2 ASN 24 -5.373 13.252 2.151 218 HD22 ASN 24 2HD2 ASN 24 -4.405 12.028 2.891 219 H ARG 25 H ARG 25 -2.186 15.048 -1.976 220 HA ARG 25 HA ARG 25 -1.229 12.972 -3.563 221 HB2 ARG 25 2HB ARG 25 0.092 15.454 -2.484 222 HB3 ARG 25 1HB ARG 25 0.942 14.338 -3.543 223 HG2 ARG 25 2HG ARG 25 0.162 15.741 -5.126 224 HG3 ARG 25 1HG ARG 25 -1.259 14.702 -5.007 225 HD2 ARG 25 2HD ARG 25 -1.787 17.130 -4.967 226 HD3 ARG 25 1HD ARG 25 -2.347 16.258 -3.541 227 HE ARG 25 HE ARG 25 0.242 17.457 -3.210 228 HH11 ARG 25 1HH1 ARG 25 -3.201 17.992 -3.006 229 HH12 ARG 25 2HH1 ARG 25 -3.058 19.293 -1.872 230 HH21 ARG 25 1HH2 ARG 25 0.432 19.168 -1.720 231 HH22 ARG 25 2HH2 ARG 25 -0.995 19.962 -1.143 232 H CYS 26 H CYS 26 -0.561 13.762 -0.225 233 HA CYS 26 HA CYS 26 0.552 12.656 1.421 234 HB2 CYS 26 2HB CYS 26 -0.722 10.709 0.034 235 HB3 CYS 26 1HB CYS 26 0.948 10.180 -0.148 236 HG CYS 26 HG CYS 26 1.112 9.955 2.429 237 H GLY 27 H GLY 27 2.106 14.281 -0.120 238 HA2 GLY 27 2HA GLY 27 4.535 14.394 0.288 239 HA3 GLY 27 1HA GLY 27 4.625 12.748 -0.317 240 H LYS 28 H LYS 28 2.420 14.674 -2.040 241 HA LYS 28 HA LYS 28 2.417 15.556 -4.132 242 HB2 LYS 28 2HB LYS 28 5.285 16.139 -3.393 243 HB3 LYS 28 1HB LYS 28 4.544 16.694 -4.888 244 HG2 LYS 28 2HG LYS 28 3.268 17.326 -2.263 245 HG3 LYS 28 1HG LYS 28 4.643 18.271 -2.838 246 HD2 LYS 28 2HD LYS 28 2.716 17.915 -4.948 247 HD3 LYS 28 1HD LYS 28 1.940 18.594 -3.515 248 HE2 LYS 28 2HE LYS 28 2.658 20.511 -4.542 249 HE3 LYS 28 1HE LYS 28 4.048 20.162 -3.514 250 HZ1 LYS 28 3HZ LYS 28 4.109 18.941 -6.142 251 HZ2 LYS 28 1HZ LYS 28 5.341 19.711 -5.275 252 HZ3 LYS 28 2HZ LYS 28 4.211 20.629 -6.135 253 H TYR 29 H TYR 29 5.769 14.403 -4.222 254 HA TYR 29 HA TYR 29 5.008 12.639 -6.446 255 HB2 TYR 29 2HB TYR 29 7.208 14.449 -6.021 256 HB3 TYR 29 1HB TYR 29 7.821 12.824 -6.299 257 HD1 TYR 29 2HD TYR 29 7.217 11.629 -8.408 258 HD2 TYR 29 1HD TYR 29 6.272 15.730 -7.786 259 HE1 TYR 29 2HE TYR 29 6.880 11.912 -10.828 260 HE2 TYR 29 1HE TYR 29 5.932 16.025 -10.203 261 HH TYR 29 HH TYR 29 6.673 14.926 -12.314 262 H VAL 30 H VAL 30 4.392 11.660 -3.982 263 HA VAL 30 HA VAL 30 6.354 10.188 -2.652 264 HB VAL 30 HB VAL 30 4.103 10.552 -1.740 265 HG11 VAL 30 1HG1 VAL 30 2.175 9.442 -2.534 266 HG12 VAL 30 2HG1 VAL 30 3.118 8.422 -3.620 267 HG13 VAL 30 3HG1 VAL 30 2.949 10.145 -3.954 268 HG21 VAL 30 3HG2 VAL 30 5.066 7.719 -2.011 269 HG22 VAL 30 1HG2 VAL 30 3.702 8.154 -0.981 270 HG23 VAL 30 2HG2 VAL 30 5.298 8.836 -0.666 271 H ASP 31 H ASP 31 7.612 8.617 -3.379 272 HA ASP 31 HA ASP 31 6.824 7.086 -5.728 273 HB2 ASP 31 2HB ASP 31 9.312 7.976 -4.606 274 HB3 ASP 31 1HB ASP 31 9.351 6.224 -4.778 275 H THR 32 H THR 32 7.941 4.697 -5.493 276 HA THR 32 HA THR 32 6.151 3.240 -3.898 277 HB THR 32 HB THR 32 7.498 1.276 -4.492 278 HG1 THR 32 1HG THR 32 9.329 3.150 -5.578 279 HG21 THR 32 3HG2 THR 32 5.997 2.219 -6.210 280 HG22 THR 32 1HG2 THR 32 7.399 1.385 -6.881 281 HG23 THR 32 2HG2 THR 32 7.357 3.148 -6.841 282 H GLY 33 H GLY 33 9.675 3.652 -3.490 283 HA2 GLY 33 2HA GLY 33 9.826 2.389 -0.985 284 HA3 GLY 33 1HA GLY 33 11.001 3.532 -1.620 285 H ILE 34 H ILE 34 9.100 5.712 -1.860 286 HA ILE 34 HA ILE 34 9.319 6.738 0.798 287 HB ILE 34 HB ILE 34 7.836 7.924 -1.551 288 HG12 ILE 34 2HG1 ILE 34 10.697 8.321 -0.645 289 HG13 ILE 34 1HG1 ILE 34 10.183 7.488 -2.109 290 HG21 ILE 34 1HG2 ILE 34 8.326 8.803 1.189 291 HG22 ILE 34 2HG2 ILE 34 7.144 9.368 0.009 292 HG23 ILE 34 3HG2 ILE 34 8.793 9.989 -0.029 293 HD11 ILE 34 3HD1 ILE 34 9.027 9.781 -2.625 294 HD12 ILE 34 1HD1 ILE 34 10.743 9.534 -2.947 295 HD13 ILE 34 2HD1 ILE 34 10.233 10.393 -1.494 296 H LEU 35 H LEU 35 6.591 5.798 -1.280 297 HA LEU 35 HA LEU 35 4.536 6.462 0.505 298 HB2 LEU 35 2HB LEU 35 4.073 6.004 -1.819 299 HB3 LEU 35 1HB LEU 35 4.657 4.359 -1.655 300 HG LEU 35 HG LEU 35 2.760 3.966 -0.024 301 HD11 LEU 35 1HD1 LEU 35 1.349 6.278 -1.227 302 HD12 LEU 35 2HD1 LEU 35 2.480 6.603 0.087 303 HD13 LEU 35 3HD1 LEU 35 1.126 5.501 0.341 304 HD21 LEU 35 3HD2 LEU 35 1.535 3.141 -1.718 305 HD22 LEU 35 1HD2 LEU 35 2.883 3.688 -2.715 306 HD23 LEU 35 2HD2 LEU 35 1.445 4.695 -2.548 307 H ALA 36 H ALA 36 6.216 3.371 -0.013 308 HA ALA 36 HA ALA 36 4.827 1.781 1.762 309 HB1 ALA 36 1HB ALA 36 6.659 1.092 0.165 310 HB2 ALA 36 2HB ALA 36 6.677 0.309 1.745 311 HB3 ALA 36 3HB ALA 36 7.808 1.617 1.396 312 H SER 37 H SER 37 7.694 3.776 2.447 313 HA SER 37 HA SER 37 7.795 3.154 5.203 314 HB2 SER 37 2HB SER 37 9.552 4.298 3.574 315 HB3 SER 37 1HB SER 37 8.829 5.774 4.214 316 HG SER 37 HG SER 37 10.446 5.295 5.602 317 H ASP 38 H ASP 38 6.544 6.008 3.477 318 HA ASP 38 HA ASP 38 5.641 7.429 5.694 319 HB2 ASP 38 2HB ASP 38 4.987 7.410 2.792 320 HB3 ASP 38 1HB ASP 38 3.854 8.225 3.867 321 H LEU 39 H LEU 39 4.024 4.930 3.787 322 HA LEU 39 HA LEU 39 1.489 5.131 4.970 323 HB2 LEU 39 2HB LEU 39 2.413 3.746 2.910 324 HB3 LEU 39 1HB LEU 39 2.530 2.475 4.111 325 HG LEU 39 HG LEU 39 0.116 2.721 4.583 326 HD11 LEU 39 1HD1 LEU 39 0.377 5.173 3.350 327 HD12 LEU 39 2HD1 LEU 39 -1.137 4.385 3.793 328 HD13 LEU 39 3HD1 LEU 39 -0.494 4.205 2.161 329 HD21 LEU 39 3HD2 LEU 39 0.330 2.359 1.634 330 HD22 LEU 39 1HD2 LEU 39 -0.536 1.395 2.831 331 HD23 LEU 39 2HD2 LEU 39 1.218 1.266 2.697 332 H GLN 40 H GLN 40 4.247 3.034 5.780 333 HA GLN 40 HA GLN 40 2.923 1.857 8.023 334 HB2 GLN 40 2HB GLN 40 5.070 0.812 8.504 335 HB3 GLN 40 1HB GLN 40 4.687 0.672 6.794 336 HG2 GLN 40 2HG GLN 40 6.390 2.026 6.156 337 HG3 GLN 40 1HG GLN 40 6.330 2.986 7.634 338 HE21 GLN 40 1HE2 GLN 40 7.138 1.945 9.601 339 HE22 GLN 40 2HE2 GLN 40 8.467 0.849 9.470 340 H ARG 41 H ARG 41 4.980 4.636 7.545 341 HA ARG 41 HA ARG 41 5.747 5.020 10.239 342 HB2 ARG 41 2HB ARG 41 6.611 6.131 8.021 343 HB3 ARG 41 1HB ARG 41 5.374 7.330 8.373 344 HG2 ARG 41 2HG ARG 41 6.411 7.966 10.382 345 HG3 ARG 41 1HG ARG 41 7.446 6.537 10.393 346 HD2 ARG 41 2HD ARG 41 8.891 7.402 8.848 347 HD3 ARG 41 1HD ARG 41 7.648 8.387 8.077 348 HE ARG 41 HE ARG 41 7.983 9.483 10.565 349 HH11 ARG 41 1HH1 ARG 41 10.059 8.826 7.838 350 HH12 ARG 41 2HH1 ARG 41 11.120 10.154 8.166 351 HH21 ARG 41 1HH2 ARG 41 9.375 11.233 10.996 352 HH22 ARG 41 2HH2 ARG 41 10.732 11.521 9.959 353 H LEU 42 H LEU 42 3.096 6.409 8.315 354 HA LEU 42 HA LEU 42 2.036 7.940 10.461 355 HB2 LEU 42 2HB LEU 42 0.027 8.147 9.001 356 HB3 LEU 42 1HB LEU 42 1.530 8.626 8.237 357 HG LEU 42 HG LEU 42 1.412 6.056 7.426 358 HD11 LEU 42 1HD1 LEU 42 -0.825 5.890 8.630 359 HD12 LEU 42 2HD1 LEU 42 -0.768 5.343 6.955 360 HD13 LEU 42 3HD1 LEU 42 -1.461 6.917 7.345 361 HD21 LEU 42 3HD2 LEU 42 -0.024 8.341 6.082 362 HD22 LEU 42 1HD2 LEU 42 0.633 6.902 5.303 363 HD23 LEU 42 2HD2 LEU 42 1.720 8.078 6.041 364 H TYR 43 H TYR 43 1.544 4.673 9.325 365 HA TYR 43 HA TYR 43 -0.497 4.279 11.411 366 HB2 TYR 43 2HB TYR 43 -0.077 3.031 8.727 367 HB3 TYR 43 1HB TYR 43 -0.828 2.069 9.995 368 HD1 TYR 43 1HD TYR 43 -2.441 4.143 11.379 369 HD2 TYR 43 2HD TYR 43 -1.819 3.437 7.230 370 HE1 TYR 43 1HE TYR 43 -4.611 5.186 10.883 371 HE2 TYR 43 2HE TYR 43 -3.988 4.479 6.722 372 HH TYR 43 HH TYR 43 -5.520 6.191 7.860 373 H SER 44 H SER 44 2.110 4.369 12.245 374 HA SER 44 HA SER 44 3.528 1.966 12.251 375 HB2 SER 44 2HB SER 44 4.593 2.840 14.336 376 HB3 SER 44 1HB SER 44 4.561 4.015 13.021 377 HG SER 44 HG SER 44 3.799 4.559 15.336 378 H VAL 45 H VAL 45 0.757 2.979 14.112 379 HA VAL 45 HA VAL 45 0.949 0.916 16.083 380 HB VAL 45 HB VAL 45 -1.520 2.470 15.311 381 HG11 VAL 45 1HG1 VAL 45 -2.370 0.968 16.768 382 HG12 VAL 45 2HG1 VAL 45 -1.689 2.070 17.966 383 HG13 VAL 45 3HG1 VAL 45 -0.800 0.622 17.493 384 HG21 VAL 45 3HG2 VAL 45 -0.058 4.190 15.795 385 HG22 VAL 45 1HG2 VAL 45 0.849 3.232 16.965 386 HG23 VAL 45 2HG2 VAL 45 -0.749 3.852 17.382 387 H ASP 46 H ASP 46 -0.929 1.355 13.107 388 HA ASP 46 HA ASP 46 -2.193 -1.229 13.379 389 HB2 ASP 46 2HB ASP 46 -2.223 0.712 11.058 390 HB3 ASP 46 1HB ASP 46 -3.268 -0.694 11.242 391 H TYR 47 H TYR 47 -0.100 0.239 10.890 392 HA TYR 47 HA TYR 47 0.466 -2.176 9.564 393 HB2 TYR 47 2HB TYR 47 1.841 0.502 9.627 394 HB3 TYR 47 1HB TYR 47 2.482 -0.838 8.683 395 HD1 TYR 47 1HD TYR 47 -1.094 0.075 9.183 396 HD2 TYR 47 2HD TYR 47 2.194 -0.084 6.488 397 HE1 TYR 47 1HE TYR 47 -2.594 0.665 7.330 398 HE2 TYR 47 2HE TYR 47 0.702 0.505 4.626 399 HH TYR 47 HH TYR 47 -1.757 0.325 4.107 400 H GLY 48 H GLY 48 2.649 -0.243 11.627 401 HA2 GLY 48 2HA GLY 48 4.209 -0.930 13.183 402 HA3 GLY 48 1HA GLY 48 3.575 -2.561 13.034 403 H ARG 49 H ARG 49 5.426 -3.709 12.818 404 HA ARG 49 HA ARG 49 6.805 -3.511 10.291 405 HB2 ARG 49 2HB ARG 49 9.048 -3.299 11.264 406 HB3 ARG 49 1HB ARG 49 8.059 -1.888 11.615 407 HG2 ARG 49 2HG ARG 49 7.622 -3.563 13.774 408 HG3 ARG 49 1HG ARG 49 9.340 -3.752 13.420 409 HD2 ARG 49 2HD ARG 49 9.827 -1.590 13.941 410 HD3 ARG 49 1HD ARG 49 8.247 -0.997 13.429 411 HE ARG 49 HE ARG 49 9.006 -1.843 16.059 412 HH11 ARG 49 1HH1 ARG 49 6.323 -1.518 13.851 413 HH12 ARG 49 2HH1 ARG 49 5.138 -1.420 15.109 414 HH21 ARG 49 1HH2 ARG 49 7.447 -1.715 17.715 415 HH22 ARG 49 2HH2 ARG 49 5.775 -1.531 17.302 416 H ARG 50 H ARG 50 6.653 -5.559 9.659 417 HA ARG 50 HA ARG 50 7.414 -7.667 11.572 418 HB2 ARG 50 2HB ARG 50 5.340 -7.825 9.378 419 HB3 ARG 50 1HB ARG 50 5.847 -9.171 10.389 420 HG2 ARG 50 2HG ARG 50 4.911 -8.176 12.330 421 HG3 ARG 50 1HG ARG 50 4.636 -6.649 11.490 422 HD2 ARG 50 2HD ARG 50 2.651 -7.342 10.770 423 HD3 ARG 50 1HD ARG 50 3.363 -8.795 10.070 424 HE ARG 50 HE ARG 50 1.964 -8.579 12.571 425 HH11 ARG 50 1HH1 ARG 50 4.306 -10.421 10.754 426 HH12 ARG 50 2HH1 ARG 50 4.043 -11.878 11.653 427 HH21 ARG 50 1HH2 ARG 50 1.618 -10.493 13.756 428 HH22 ARG 50 2HH2 ARG 50 2.518 -11.919 13.357 429 H LYS 51 H LYS 51 7.298 -6.709 8.166 430 HA LYS 51 HA LYS 51 9.810 -8.126 7.722 431 HB2 LYS 51 2HB LYS 51 7.549 -9.413 7.037 432 HB3 LYS 51 1HB LYS 51 7.787 -8.460 5.579 433 HG2 LYS 51 2HG LYS 51 9.788 -9.512 5.064 434 HG3 LYS 51 1HG LYS 51 10.025 -10.085 6.717 435 HD2 LYS 51 2HD LYS 51 8.549 -11.835 6.465 436 HD3 LYS 51 1HD LYS 51 7.646 -11.026 5.183 437 HE2 LYS 51 2HE LYS 51 8.804 -12.168 3.673 438 HE3 LYS 51 1HE LYS 51 10.282 -11.390 4.237 439 HZ1 LYS 51 3HZ LYS 51 9.981 -13.989 4.279 440 HZ2 LYS 51 1HZ LYS 51 9.270 -13.658 5.778 441 HZ3 LYS 51 2HZ LYS 51 10.865 -13.184 5.475 442 H ARG 52 H ARG 52 10.916 -6.245 7.384 443 HA ARG 52 HA ARG 52 10.062 -3.980 6.039 444 HB2 ARG 52 2HB ARG 52 12.852 -5.121 6.253 445 HB3 ARG 52 1HB ARG 52 12.485 -3.495 5.696 446 HG2 ARG 52 2HG ARG 52 11.970 -2.743 7.781 447 HG3 ARG 52 1HG ARG 52 11.413 -4.323 8.334 448 HD2 ARG 52 2HD ARG 52 13.398 -4.761 9.231 449 HD3 ARG 52 1HD ARG 52 14.205 -4.450 7.694 450 HE ARG 52 HE ARG 52 13.665 -1.973 8.741 451 HH11 ARG 52 1HH1 ARG 52 15.432 -4.794 9.789 452 HH12 ARG 52 2HH1 ARG 52 16.568 -3.887 10.730 453 HH21 ARG 52 1HH2 ARG 52 15.158 -0.778 9.980 454 HH22 ARG 52 2HH2 ARG 52 16.412 -1.608 10.839 455 H ASN 53 H ASN 53 11.966 -6.687 4.714 456 HA ASN 53 HA ASN 53 12.108 -5.758 2.086 457 HB2 ASN 53 2HB ASN 53 13.280 -7.779 3.272 458 HB3 ASN 53 1HB ASN 53 11.902 -8.691 2.664 459 HD21 ASN 53 1HD2 ASN 53 11.558 -8.773 0.392 460 HD22 ASN 53 2HD2 ASN 53 12.879 -8.561 -0.701 461 H ALA 54 H ALA 54 9.745 -7.955 3.582 462 HA ALA 54 HA ALA 54 8.216 -8.404 1.266 463 HB1 ALA 54 1HB ALA 54 8.211 -9.464 3.734 464 HB2 ALA 54 2HB ALA 54 6.882 -9.655 2.590 465 HB3 ALA 54 3HB ALA 54 6.791 -8.424 3.849 466 H PHE 55 H PHE 55 7.725 -6.101 3.942 467 HA PHE 55 HA PHE 55 5.371 -4.941 3.012 468 HB2 PHE 55 2HB PHE 55 7.038 -4.554 5.175 469 HB3 PHE 55 1HB PHE 55 7.178 -3.033 4.300 470 HD1 PHE 55 2HD PHE 55 5.233 -1.597 3.985 471 HD2 PHE 55 1HD PHE 55 4.988 -5.202 6.233 472 HE1 PHE 55 2HE PHE 55 3.093 -0.852 4.938 473 HE2 PHE 55 1HE PHE 55 2.846 -4.463 7.192 474 HZ PHE 55 HZ PHE 55 1.897 -2.285 6.546 475 H ARG 56 H ARG 56 8.719 -4.275 2.171 476 HA ARG 56 HA ARG 56 8.242 -1.893 0.720 477 HB2 ARG 56 2HB ARG 56 10.481 -3.902 0.729 478 HB3 ARG 56 1HB ARG 56 10.479 -2.544 -0.389 479 HG2 ARG 56 2HG ARG 56 9.993 -1.849 2.425 480 HG3 ARG 56 1HG ARG 56 11.595 -2.497 2.066 481 HD2 ARG 56 2HD ARG 56 10.644 -0.497 0.148 482 HD3 ARG 56 1HD ARG 56 10.854 0.116 1.788 483 HE ARG 56 HE ARG 56 12.919 -0.691 -0.040 484 HH11 ARG 56 1HH1 ARG 56 12.092 -0.240 3.320 485 HH12 ARG 56 2HH1 ARG 56 13.735 -0.033 3.826 486 HH21 ARG 56 1HH2 ARG 56 15.082 -0.420 0.624 487 HH22 ARG 56 2HH2 ARG 56 15.432 -0.135 2.296 488 H ILE 57 H ILE 57 8.449 -5.295 -0.249 489 HA ILE 57 HA ILE 57 8.165 -4.839 -3.026 490 HB ILE 57 HB ILE 57 7.391 -7.328 -1.501 491 HG12 ILE 57 2HG1 ILE 57 10.015 -7.037 -2.893 492 HG13 ILE 57 1HG1 ILE 57 9.824 -6.273 -1.318 493 HG21 ILE 57 1HG2 ILE 57 8.499 -7.599 -4.186 494 HG22 ILE 57 2HG2 ILE 57 6.971 -6.720 -4.141 495 HG23 ILE 57 3HG2 ILE 57 7.074 -8.346 -3.465 496 HD11 ILE 57 3HD1 ILE 57 9.113 -9.148 -1.712 497 HD12 ILE 57 1HD1 ILE 57 9.555 -8.298 -0.231 498 HD13 ILE 57 2HD1 ILE 57 10.784 -8.651 -1.445 499 H GLN 58 H GLN 58 5.837 -5.498 -0.446 500 HA GLN 58 HA GLN 58 3.564 -5.846 -2.045 501 HB2 GLN 58 2HB GLN 58 4.019 -5.024 0.796 502 HB3 GLN 58 1HB GLN 58 2.403 -4.897 0.116 503 HG2 GLN 58 2HG GLN 58 2.118 -7.143 0.002 504 HG3 GLN 58 1HG GLN 58 3.832 -7.460 -0.260 505 HE21 GLN 58 1HE2 GLN 58 2.617 -9.082 1.431 506 HE22 GLN 58 2HE2 GLN 58 3.034 -8.732 3.070 507 H VAL 59 H VAL 59 4.907 -2.914 -0.558 508 HA VAL 59 HA VAL 59 2.881 -1.181 -1.547 509 HB VAL 59 HB VAL 59 5.686 -0.420 -0.725 510 HG11 VAL 59 1HG1 VAL 59 3.781 1.135 -1.886 511 HG12 VAL 59 2HG1 VAL 59 5.043 1.729 -0.807 512 HG13 VAL 59 3HG1 VAL 59 3.435 1.378 -0.174 513 HG21 VAL 59 3HG2 VAL 59 3.789 0.085 1.329 514 HG22 VAL 59 1HG2 VAL 59 5.195 -0.978 1.366 515 HG23 VAL 59 2HG2 VAL 59 3.632 -1.602 0.840 516 H GLU 60 H GLU 60 5.998 -2.253 -2.758 517 HA GLU 60 HA GLU 60 6.288 -0.374 -4.833 518 HB2 GLU 60 2HB GLU 60 7.430 -3.056 -4.221 519 HB3 GLU 60 1HB GLU 60 7.616 -2.442 -5.858 520 HG2 GLU 60 2HG GLU 60 8.616 -0.373 -4.883 521 HG3 GLU 60 1HG GLU 60 8.584 -1.172 -3.311 522 H LYS 61 H LYS 61 4.854 -3.623 -4.796 523 HA LYS 61 HA LYS 61 4.100 -3.537 -7.553 524 HB2 LYS 61 2HB LYS 61 3.716 -5.397 -5.273 525 HB3 LYS 61 1HB LYS 61 2.530 -5.487 -6.568 526 HG2 LYS 61 2HG LYS 61 4.294 -7.088 -6.942 527 HG3 LYS 61 1HG LYS 61 4.341 -5.837 -8.186 528 HD2 LYS 61 2HD LYS 61 6.265 -4.870 -7.320 529 HD3 LYS 61 1HD LYS 61 6.017 -5.574 -5.721 530 HE2 LYS 61 2HE LYS 61 6.738 -7.694 -6.422 531 HE3 LYS 61 1HE LYS 61 6.567 -7.282 -8.127 532 HZ1 LYS 61 3HZ LYS 61 8.752 -6.728 -6.297 533 HZ2 LYS 61 1HZ LYS 61 8.360 -5.475 -7.365 534 HZ3 LYS 61 2HZ LYS 61 8.779 -7.000 -7.965 535 H VAL 62 H VAL 62 2.528 -2.801 -4.500 536 HA VAL 62 HA VAL 62 -0.097 -2.539 -5.554 537 HB VAL 62 HB VAL 62 1.205 -1.677 -2.990 538 HG11 VAL 62 1HG1 VAL 62 -1.362 -1.132 -2.452 539 HG12 VAL 62 2HG1 VAL 62 -1.316 -0.646 -4.147 540 HG13 VAL 62 3HG1 VAL 62 -0.213 0.094 -2.987 541 HG21 VAL 62 3HG2 VAL 62 -1.146 -3.132 -2.559 542 HG22 VAL 62 1HG2 VAL 62 0.514 -3.708 -2.407 543 HG23 VAL 62 2HG2 VAL 62 -0.353 -3.907 -3.931 544 H PHE 63 H PHE 63 2.635 -0.374 -5.256 545 HA PHE 63 HA PHE 63 1.184 2.027 -5.752 546 HB2 PHE 63 2HB PHE 63 3.481 1.847 -4.687 547 HB3 PHE 63 1HB PHE 63 4.116 1.566 -6.305 548 HD1 PHE 63 1HD PHE 63 1.894 3.984 -4.532 549 HD2 PHE 63 2HD PHE 63 4.940 3.378 -7.441 550 HE1 PHE 63 1HE PHE 63 2.026 6.414 -4.894 551 HE2 PHE 63 2HE PHE 63 5.078 5.807 -7.808 552 HZ PHE 63 HZ PHE 63 3.620 7.329 -6.533 553 H SER 64 H SER 64 2.922 -0.273 -7.786 554 HA SER 64 HA SER 64 2.631 1.260 -10.183 555 HB2 SER 64 2HB SER 64 3.683 -1.424 -9.463 556 HB3 SER 64 1HB SER 64 3.158 -1.194 -11.131 557 HG SER 64 HG SER 64 4.529 0.763 -11.048 558 H ILE 65 H ILE 65 0.802 -1.278 -8.603 559 HA ILE 65 HA ILE 65 -0.886 -1.815 -10.850 560 HB ILE 65 HB ILE 65 -0.400 -3.419 -8.963 561 HG12 ILE 65 2HG1 ILE 65 -3.340 -2.961 -9.490 562 HG13 ILE 65 1HG1 ILE 65 -2.237 -3.657 -10.674 563 HG21 ILE 65 1HG2 ILE 65 -0.835 -1.751 -7.158 564 HG22 ILE 65 2HG2 ILE 65 -1.640 -3.301 -6.936 565 HG23 ILE 65 3HG2 ILE 65 -2.554 -1.905 -7.507 566 HD11 ILE 65 3HD1 ILE 65 -1.799 -5.527 -9.206 567 HD12 ILE 65 1HD1 ILE 65 -3.532 -5.356 -9.481 568 HD13 ILE 65 2HD1 ILE 65 -2.824 -4.814 -7.960 569 H ILE 66 H ILE 66 -1.302 0.057 -7.847 570 HA ILE 66 HA ILE 66 -3.959 0.792 -8.169 571 HB ILE 66 HB ILE 66 -3.444 2.795 -6.823 572 HG12 ILE 66 2HG1 ILE 66 -0.572 1.883 -7.104 573 HG13 ILE 66 1HG1 ILE 66 -1.262 3.328 -7.833 574 HG21 ILE 66 1HG2 ILE 66 -2.134 1.382 -4.979 575 HG22 ILE 66 2HG2 ILE 66 -2.581 0.069 -6.068 576 HG23 ILE 66 3HG2 ILE 66 -3.830 1.100 -5.372 577 HD11 ILE 66 3HD1 ILE 66 -1.827 4.025 -5.438 578 HD12 ILE 66 1HD1 ILE 66 -0.144 4.112 -5.957 579 HD13 ILE 66 2HD1 ILE 66 -0.689 2.768 -4.953 580 H SER 67 H SER 67 -1.072 2.153 -9.662 581 HA SER 67 HA SER 67 -2.325 4.442 -10.760 582 HB2 SER 67 2HB SER 67 -0.266 4.013 -12.470 583 HB3 SER 67 1HB SER 67 -0.077 4.767 -10.887 584 HG SER 67 HG SER 67 0.930 3.049 -10.185 585 H SER 68 H SER 68 -1.509 1.281 -12.164 586 HA SER 68 HA SER 68 -2.787 1.843 -14.656 587 HB2 SER 68 2HB SER 68 -1.284 -0.368 -13.457 588 HB3 SER 68 1HB SER 68 -2.565 -0.899 -14.547 589 HG SER 68 HG SER 68 -1.439 -0.196 -16.173 590 H GLU 69 H GLU 69 -3.634 -0.242 -11.893 591 HA GLU 69 HA GLU 69 -6.016 -1.256 -12.865 592 HB2 GLU 69 2HB GLU 69 -4.879 -0.844 -10.157 593 HB3 GLU 69 1HB GLU 69 -6.605 -1.156 -10.253 594 HG2 GLU 69 2HG GLU 69 -4.465 -2.909 -11.438 595 HG3 GLU 69 1HG GLU 69 -5.278 -3.192 -9.900 596 H LYS 70 H LYS 70 -5.547 1.685 -10.897 597 HA LYS 70 HA LYS 70 -8.342 2.371 -11.169 598 HB2 LYS 70 2HB LYS 70 -6.013 3.631 -9.762 599 HB3 LYS 70 1HB LYS 70 -7.507 4.524 -9.987 600 HG2 LYS 70 2HG LYS 70 -7.694 3.586 -7.863 601 HG3 LYS 70 1HG LYS 70 -8.667 2.537 -8.895 602 HD2 LYS 70 2HD LYS 70 -6.647 1.043 -9.089 603 HD3 LYS 70 1HD LYS 70 -5.896 2.025 -7.830 604 HE2 LYS 70 2HE LYS 70 -6.914 0.037 -6.870 605 HE3 LYS 70 1HE LYS 70 -7.747 1.490 -6.317 606 HZ1 LYS 70 3HZ LYS 70 -9.612 0.982 -7.493 607 HZ2 LYS 70 1HZ LYS 70 -9.062 -0.588 -7.182 608 HZ3 LYS 70 2HZ LYS 70 -8.782 0.123 -8.691 609 H GLU 71 H GLU 71 -5.255 3.878 -12.116 610 HA GLU 71 HA GLU 71 -4.711 5.297 -13.807 611 HB2 GLU 71 2HB GLU 71 -7.103 3.901 -14.978 612 HB3 GLU 71 1HB GLU 71 -6.272 5.171 -15.864 613 HG2 GLU 71 2HG GLU 71 -4.459 3.162 -14.801 614 HG3 GLU 71 1HG GLU 71 -5.662 2.495 -15.904 615 H LEU 72 H LEU 72 -5.861 7.056 -15.361 616 HA LEU 72 HA LEU 72 -7.748 8.552 -13.663 617 HB2 LEU 72 2HB LEU 72 -5.205 9.397 -14.947 618 HB3 LEU 72 1HB LEU 72 -6.519 10.557 -14.928 619 HG LEU 72 HG LEU 72 -5.588 9.203 -12.411 620 HD11 LEU 72 1HD1 LEU 72 -3.609 10.216 -12.817 621 HD12 LEU 72 2HD1 LEU 72 -4.473 11.626 -12.208 622 HD13 LEU 72 3HD1 LEU 72 -4.308 11.377 -13.946 623 HD21 LEU 72 3HD2 LEU 72 -6.670 11.012 -11.311 624 HD22 LEU 72 1HD2 LEU 72 -7.798 10.388 -12.515 625 HD23 LEU 72 2HD2 LEU 72 -6.906 11.877 -12.830 626 H LYS 73 H LYS 73 -9.609 8.142 -14.761 627 HA LYS 73 HA LYS 73 -9.723 9.122 -17.533 628 HB2 LYS 73 2HB LYS 73 -11.387 6.816 -16.537 629 HB3 LYS 73 1HB LYS 73 -11.150 7.346 -18.197 630 HG2 LYS 73 2HG LYS 73 -8.902 6.549 -18.208 631 HG3 LYS 73 1HG LYS 73 -8.957 6.218 -16.475 632 HD2 LYS 73 2HD LYS 73 -10.636 4.854 -18.579 633 HD3 LYS 73 1HD LYS 73 -9.205 4.170 -17.804 634 HE2 LYS 73 2HE LYS 73 -10.654 4.849 -15.633 635 HE3 LYS 73 1HE LYS 73 -11.950 4.502 -16.778 636 HZ1 LYS 73 3HZ LYS 73 -11.013 2.324 -17.154 637 HZ2 LYS 73 1HZ LYS 73 -11.291 2.543 -15.500 638 HZ3 LYS 73 2HZ LYS 73 -9.720 2.655 -16.115 639 H ASN 74 H ASN 74 -10.318 10.478 -15.034 640 HA ASN 74 HA ASN 74 -13.144 11.092 -15.556 641 HB2 ASN 74 2HB ASN 74 -12.481 9.719 -13.356 642 HB3 ASN 74 1HB ASN 74 -12.170 11.345 -12.757 643 HD21 ASN 74 1HD2 ASN 74 -14.636 9.846 -14.827 644 HD22 ASN 74 2HD2 ASN 74 -15.990 10.470 -13.953 Start of MODEL 3 1 H MET 1 H MET 1 -16.875 -8.777 -15.334 2 HA MET 1 HA MET 1 -17.914 -10.469 -14.171 3 HB2 MET 1 2HB MET 1 -14.973 -11.057 -14.572 4 HB3 MET 1 1HB MET 1 -16.223 -12.282 -14.401 5 HG2 MET 1 2HG MET 1 -17.280 -11.556 -16.436 6 HG3 MET 1 1HG MET 1 -16.152 -10.210 -16.581 7 HE1 MET 1 2HE MET 1 -16.176 -14.281 -17.937 8 HE2 MET 1 3HE MET 1 -16.806 -13.774 -16.370 9 HE3 MET 1 1HE MET 1 -15.226 -14.553 -16.476 10 H LYS 2 H LYS 2 -14.812 -9.706 -12.596 11 HA LYS 2 HA LYS 2 -15.598 -11.129 -10.198 12 HB2 LYS 2 2HB LYS 2 -13.131 -10.118 -11.340 13 HB3 LYS 2 1HB LYS 2 -13.275 -9.676 -9.645 14 HG2 LYS 2 2HG LYS 2 -13.836 -12.145 -9.248 15 HG3 LYS 2 1HG LYS 2 -13.193 -12.407 -10.871 16 HD2 LYS 2 2HD LYS 2 -11.497 -10.756 -9.134 17 HD3 LYS 2 1HD LYS 2 -11.708 -12.420 -8.587 18 HE2 LYS 2 2HE LYS 2 -10.737 -13.306 -10.499 19 HE3 LYS 2 1HE LYS 2 -11.030 -11.846 -11.444 20 HZ1 LYS 2 3HZ LYS 2 -8.920 -12.370 -9.455 21 HZ2 LYS 2 1HZ LYS 2 -9.397 -10.780 -9.785 22 HZ3 LYS 2 2HZ LYS 2 -8.777 -11.753 -11.023 23 HA PRO 3 HA PRO 3 -17.307 -7.650 -8.083 24 HB2 PRO 3 2HB PRO 3 -16.856 -8.354 -5.507 25 HB3 PRO 3 1HB PRO 3 -18.064 -9.157 -6.516 26 HG2 PRO 3 2HG PRO 3 -15.285 -10.033 -5.832 27 HG3 PRO 3 1HG PRO 3 -16.777 -10.988 -5.886 28 HD2 PRO 3 2HD PRO 3 -14.952 -11.000 -7.893 29 HD3 PRO 3 1HD PRO 3 -16.689 -11.228 -8.174 30 H ARG 4 H ARG 4 -16.766 -5.887 -6.596 31 HA ARG 4 HA ARG 4 -14.024 -5.051 -6.960 32 HB2 ARG 4 2HB ARG 4 -16.577 -3.771 -6.379 33 HB3 ARG 4 1HB ARG 4 -15.270 -3.124 -5.397 34 HG2 ARG 4 2HG ARG 4 -14.220 -2.182 -7.166 35 HG3 ARG 4 1HG ARG 4 -14.734 -3.446 -8.287 36 HD2 ARG 4 2HD ARG 4 -16.806 -2.467 -8.641 37 HD3 ARG 4 1HD ARG 4 -16.740 -1.550 -7.136 38 HE ARG 4 HE ARG 4 -14.680 -0.640 -8.777 39 HH11 ARG 4 1HH1 ARG 4 -18.169 -0.687 -8.734 40 HH12 ARG 4 2HH1 ARG 4 -18.325 0.773 -9.651 41 HH21 ARG 4 1HH2 ARG 4 -14.884 1.282 -9.984 42 HH22 ARG 4 2HH2 ARG 4 -16.461 1.890 -10.361 43 HA PRO 5 HA PRO 5 -14.212 -5.071 -2.106 44 HB2 PRO 5 2HB PRO 5 -16.440 -6.900 -1.512 45 HB3 PRO 5 1HB PRO 5 -16.085 -5.309 -0.836 46 HG2 PRO 5 2HG PRO 5 -18.148 -5.709 -2.511 47 HG3 PRO 5 1HG PRO 5 -17.222 -4.197 -2.505 48 HD2 PRO 5 2HD PRO 5 -17.048 -6.517 -4.392 49 HD3 PRO 5 1HD PRO 5 -17.002 -4.777 -4.740 50 H GLY 6 H GLY 6 -12.411 -6.375 -3.005 51 HA2 GLY 6 2HA GLY 6 -12.606 -9.142 -2.016 52 HA3 GLY 6 1HA GLY 6 -11.947 -8.836 -3.616 53 H VAL 7 H VAL 7 -11.016 -9.659 -0.676 54 HA VAL 7 HA VAL 7 -8.672 -7.903 -0.550 55 HB VAL 7 HB VAL 7 -8.245 -9.125 1.635 56 HG11 VAL 7 1HG1 VAL 7 -10.899 -7.733 1.654 57 HG12 VAL 7 2HG1 VAL 7 -9.413 -6.862 1.275 58 HG13 VAL 7 3HG1 VAL 7 -9.594 -7.656 2.839 59 HG21 VAL 7 3HG2 VAL 7 -11.090 -9.886 1.764 60 HG22 VAL 7 1HG2 VAL 7 -9.671 -10.669 2.460 61 HG23 VAL 7 2HG2 VAL 7 -10.064 -10.907 0.757 62 H PHE 8 H PHE 8 -6.622 -9.124 0.238 63 HA PHE 8 HA PHE 8 -6.158 -11.795 -0.426 64 HB2 PHE 8 2HB PHE 8 -6.453 -10.222 -2.724 65 HB3 PHE 8 1HB PHE 8 -4.716 -10.443 -2.547 66 HD1 PHE 8 1HD PHE 8 -3.767 -12.732 -2.501 67 HD2 PHE 8 2HD PHE 8 -7.864 -12.000 -3.385 68 HE1 PHE 8 1HE PHE 8 -3.955 -14.983 -3.475 69 HE2 PHE 8 2HE PHE 8 -8.060 -14.250 -4.360 70 HZ PHE 8 HZ PHE 8 -6.103 -15.745 -4.406 71 H VAL 9 H VAL 9 -4.795 -11.907 1.275 72 HA VAL 9 HA VAL 9 -2.837 -11.781 2.428 73 HB VAL 9 HB VAL 9 -1.728 -10.245 0.076 74 HG11 VAL 9 1HG1 VAL 9 -0.600 -10.607 2.507 75 HG12 VAL 9 2HG1 VAL 9 0.312 -10.444 1.007 76 HG13 VAL 9 3HG1 VAL 9 -0.028 -12.046 1.663 77 HG21 VAL 9 3HG2 VAL 9 -2.798 -12.530 -0.408 78 HG22 VAL 9 1HG2 VAL 9 -1.437 -13.200 0.490 79 HG23 VAL 9 2HG2 VAL 9 -1.150 -12.250 -0.967 80 H ASP 10 H ASP 10 -2.752 -8.694 0.637 81 HA ASP 10 HA ASP 10 -3.330 -7.246 3.097 82 HB2 ASP 10 2HB ASP 10 -0.681 -7.371 1.815 83 HB3 ASP 10 1HB ASP 10 -1.245 -5.740 2.166 84 H ARG 11 H ARG 11 -5.230 -7.169 1.487 85 HA ARG 11 HA ARG 11 -5.067 -5.532 -0.808 86 HB2 ARG 11 2HB ARG 11 -6.954 -7.176 0.129 87 HB3 ARG 11 1HB ARG 11 -7.621 -5.656 0.707 88 HG2 ARG 11 2HG ARG 11 -8.630 -5.910 -1.354 89 HG3 ARG 11 1HG ARG 11 -7.272 -4.843 -1.717 90 HD2 ARG 11 2HD ARG 11 -6.776 -7.752 -1.923 91 HD3 ARG 11 1HD ARG 11 -7.833 -7.041 -3.141 92 HE ARG 11 HE ARG 11 -5.457 -5.515 -2.820 93 HH11 ARG 11 1HH1 ARG 11 -6.696 -8.446 -4.256 94 HH12 ARG 11 2HH1 ARG 11 -5.500 -8.486 -5.507 95 HH21 ARG 11 1HH2 ARG 11 -3.884 -5.567 -4.467 96 HH22 ARG 11 2HH2 ARG 11 -3.903 -6.853 -5.628 97 H LYS 12 H LYS 12 -5.507 -4.833 2.582 98 HA LYS 12 HA LYS 12 -6.601 -2.288 2.480 99 HB2 LYS 12 2HB LYS 12 -4.886 -3.762 4.402 100 HB3 LYS 12 1HB LYS 12 -4.963 -2.015 4.593 101 HG2 LYS 12 2HG LYS 12 -7.104 -2.048 5.302 102 HG3 LYS 12 1HG LYS 12 -7.546 -3.396 4.252 103 HD2 LYS 12 2HD LYS 12 -7.429 -4.752 6.010 104 HD3 LYS 12 1HD LYS 12 -5.701 -4.412 6.125 105 HE2 LYS 12 2HE LYS 12 -6.277 -3.697 8.190 106 HE3 LYS 12 1HE LYS 12 -6.669 -2.215 7.320 107 HZ1 LYS 12 3HZ LYS 12 -8.975 -3.012 7.154 108 HZ2 LYS 12 1HZ LYS 12 -8.477 -2.810 8.760 109 HZ3 LYS 12 2HZ LYS 12 -8.571 -4.360 8.091 110 H LEU 13 H LEU 13 -3.326 -3.341 1.832 111 HA LEU 13 HA LEU 13 -1.990 -0.895 1.982 112 HB2 LEU 13 2HB LEU 13 -1.191 -3.380 1.467 113 HB3 LEU 13 1HB LEU 13 -1.272 -2.804 -0.187 114 HG LEU 13 HG LEU 13 0.977 -2.542 0.569 115 HD11 LEU 13 1HD1 LEU 13 -0.185 0.215 0.799 116 HD12 LEU 13 2HD1 LEU 13 -0.165 -0.666 -0.729 117 HD13 LEU 13 3HD1 LEU 13 1.350 -0.282 0.087 118 HD21 LEU 13 3HD2 LEU 13 -0.317 -1.370 2.992 119 HD22 LEU 13 1HD2 LEU 13 1.323 -0.892 2.552 120 HD23 LEU 13 2HD2 LEU 13 0.955 -2.586 2.876 121 H LYS 14 H LYS 14 -3.682 -2.409 -0.742 122 HA LYS 14 HA LYS 14 -3.175 -0.268 -2.554 123 HB2 LYS 14 2HB LYS 14 -3.735 -2.690 -3.134 124 HB3 LYS 14 1HB LYS 14 -5.406 -2.284 -2.770 125 HG2 LYS 14 2HG LYS 14 -4.983 -0.339 -4.472 126 HG3 LYS 14 1HG LYS 14 -3.688 -1.399 -5.032 127 HD2 LYS 14 2HD LYS 14 -5.568 -1.947 -6.347 128 HD3 LYS 14 1HD LYS 14 -5.440 -3.234 -5.147 129 HE2 LYS 14 2HE LYS 14 -7.138 -2.078 -3.776 130 HE3 LYS 14 1HE LYS 14 -7.300 -0.862 -5.043 131 HZ1 LYS 14 3HZ LYS 14 -7.728 -2.996 -6.491 132 HZ2 LYS 14 1HZ LYS 14 -8.977 -2.261 -5.617 133 HZ3 LYS 14 2HZ LYS 14 -8.214 -3.640 -5.005 134 H GLN 15 H GLN 15 -6.083 -1.311 -0.784 135 HA GLN 15 HA GLN 15 -7.790 0.725 -1.605 136 HB2 GLN 15 2HB GLN 15 -8.544 -1.285 -0.416 137 HB3 GLN 15 1HB GLN 15 -7.751 -0.722 1.049 138 HG2 GLN 15 2HG GLN 15 -9.415 0.679 1.564 139 HG3 GLN 15 1HG GLN 15 -9.638 1.191 -0.108 140 HE21 GLN 15 1HE2 GLN 15 -10.051 -1.750 1.842 141 HE22 GLN 15 2HE2 GLN 15 -11.602 -2.161 1.202 142 H ARG 16 H ARG 16 -5.658 0.609 1.240 143 HA ARG 16 HA ARG 16 -6.406 3.138 2.248 144 HB2 ARG 16 2HB ARG 16 -5.069 1.181 3.359 145 HB3 ARG 16 1HB ARG 16 -3.668 2.008 2.692 146 HG2 ARG 16 2HG ARG 16 -3.924 2.760 4.919 147 HG3 ARG 16 1HG ARG 16 -4.452 4.078 3.871 148 HD2 ARG 16 2HD ARG 16 -6.691 2.406 4.431 149 HD3 ARG 16 1HD ARG 16 -5.887 2.795 5.950 150 HE ARG 16 HE ARG 16 -6.182 5.128 4.390 151 HH11 ARG 16 1HH1 ARG 16 -8.050 2.884 6.302 152 HH12 ARG 16 2HH1 ARG 16 -9.259 4.052 6.720 153 HH21 ARG 16 1HH2 ARG 16 -7.772 6.666 4.936 154 HH22 ARG 16 2HH2 ARG 16 -9.101 6.198 5.944 155 H VAL 17 H VAL 17 -3.865 2.108 0.021 156 HA VAL 17 HA VAL 17 -2.569 4.624 -0.140 157 HB VAL 17 HB VAL 17 -2.555 2.190 -1.911 158 HG11 VAL 17 1HG1 VAL 17 -1.504 4.903 -2.514 159 HG12 VAL 17 2HG1 VAL 17 -2.139 3.666 -3.599 160 HG13 VAL 17 3HG1 VAL 17 -0.509 3.512 -2.947 161 HG21 VAL 17 3HG2 VAL 17 -0.551 1.695 -0.945 162 HG22 VAL 17 1HG2 VAL 17 -1.304 2.571 0.389 163 HG23 VAL 17 2HG2 VAL 17 -0.145 3.388 -0.661 164 H ILE 18 H ILE 18 -4.898 3.025 -2.338 165 HA ILE 18 HA ILE 18 -5.112 5.054 -4.214 166 HB ILE 18 HB ILE 18 -7.334 4.173 -4.770 167 HG12 ILE 18 2HG1 ILE 18 -6.986 2.409 -2.336 168 HG13 ILE 18 1HG1 ILE 18 -8.098 3.769 -2.443 169 HG21 ILE 18 1HG2 ILE 18 -5.898 1.664 -4.255 170 HG22 ILE 18 2HG2 ILE 18 -4.949 2.920 -5.050 171 HG23 ILE 18 3HG2 ILE 18 -6.458 2.365 -5.773 172 HD11 ILE 18 3HD1 ILE 18 -9.211 2.600 -4.345 173 HD12 ILE 18 1HD1 ILE 18 -9.341 1.779 -2.789 174 HD13 ILE 18 2HD1 ILE 18 -8.193 1.201 -3.998 175 H GLN 19 H GLN 19 -6.762 4.699 -1.117 176 HA GLN 19 HA GLN 19 -8.492 6.936 -1.481 177 HB2 GLN 19 2HB GLN 19 -7.658 5.349 0.942 178 HB3 GLN 19 1HB GLN 19 -8.753 6.721 1.049 179 HG2 GLN 19 2HG GLN 19 -9.889 5.240 -0.941 180 HG3 GLN 19 1HG GLN 19 -9.233 3.997 0.122 181 HE21 GLN 19 1HE2 GLN 19 -10.742 3.266 1.424 182 HE22 GLN 19 2HE2 GLN 19 -11.948 4.209 2.225 183 H TYR 20 H TYR 20 -5.266 6.491 -0.218 184 HA TYR 20 HA TYR 20 -5.080 9.019 1.082 185 HB2 TYR 20 2HB TYR 20 -3.256 6.783 0.455 186 HB3 TYR 20 1HB TYR 20 -2.490 8.362 0.598 187 HD1 TYR 20 2HD TYR 20 -4.113 9.609 2.724 188 HD2 TYR 20 1HD TYR 20 -2.620 5.641 2.382 189 HE1 TYR 20 2HE TYR 20 -4.134 9.396 5.174 190 HE2 TYR 20 1HE TYR 20 -2.636 5.416 4.830 191 HH TYR 20 HH TYR 20 -4.097 6.667 6.783 192 H LEU 21 H LEU 21 -4.158 7.824 -2.119 193 HA LEU 21 HA LEU 21 -2.891 10.259 -2.912 194 HB2 LEU 21 2HB LEU 21 -4.007 8.342 -4.909 195 HB3 LEU 21 1HB LEU 21 -2.521 9.268 -4.969 196 HG LEU 21 HG LEU 21 -2.530 7.284 -2.823 197 HD11 LEU 21 1HD1 LEU 21 -3.762 6.421 -5.143 198 HD12 LEU 21 2HD1 LEU 21 -3.021 5.406 -3.908 199 HD13 LEU 21 3HD1 LEU 21 -2.090 5.890 -5.325 200 HD21 LEU 21 3HD2 LEU 21 -0.649 7.560 -5.145 201 HD22 LEU 21 1HD2 LEU 21 -0.325 6.899 -3.542 202 HD23 LEU 21 2HD2 LEU 21 -0.594 8.632 -3.746 203 H SER 22 H SER 22 -6.055 8.794 -3.585 204 HA SER 22 HA SER 22 -7.051 10.751 -5.298 205 HB2 SER 22 2HB SER 22 -8.061 8.463 -4.641 206 HB3 SER 22 1HB SER 22 -8.800 9.335 -3.298 207 HG SER 22 HG SER 22 -10.160 10.228 -4.634 208 H SER 23 H SER 23 -7.374 10.504 -1.761 209 HA SER 23 HA SER 23 -8.866 12.847 -1.395 210 HB2 SER 23 2HB SER 23 -8.262 10.917 0.272 211 HB3 SER 23 1HB SER 23 -6.880 11.941 0.663 212 HG SER 23 HG SER 23 -9.464 12.198 1.404 213 H ASN 24 H ASN 24 -5.433 12.322 -1.786 214 HA ASN 24 HA ASN 24 -4.905 14.973 -2.526 215 HB2 ASN 24 2HB ASN 24 -3.587 15.744 -0.601 216 HB3 ASN 24 1HB ASN 24 -5.270 15.476 -0.155 217 HD21 ASN 24 1HD2 ASN 24 -5.800 13.581 1.035 218 HD22 ASN 24 2HD2 ASN 24 -4.613 12.809 2.024 219 H ARG 25 H ARG 25 -2.497 15.400 -2.653 220 HA ARG 25 HA ARG 25 -1.228 13.301 -3.989 221 HB2 ARG 25 2HB ARG 25 -0.399 15.970 -2.973 222 HB3 ARG 25 1HB ARG 25 0.878 14.837 -3.395 223 HG2 ARG 25 2HG ARG 25 -0.529 14.583 -5.602 224 HG3 ARG 25 1HG ARG 25 -1.123 16.178 -5.135 225 HD2 ARG 25 2HD ARG 25 0.726 17.101 -5.941 226 HD3 ARG 25 1HD ARG 25 1.692 16.173 -4.795 227 HE ARG 25 HE ARG 25 0.935 14.688 -7.137 228 HH11 ARG 25 1HH1 ARG 25 3.283 16.880 -5.775 229 HH12 ARG 25 2HH1 ARG 25 4.544 16.403 -6.862 230 HH21 ARG 25 1HH2 ARG 25 2.592 14.058 -8.566 231 HH22 ARG 25 2HH2 ARG 25 4.152 14.801 -8.448 232 H CYS 26 H CYS 26 -1.034 14.352 -0.637 233 HA CYS 26 HA CYS 26 -0.125 13.406 1.218 234 HB2 CYS 26 2HB CYS 26 -0.950 11.187 -0.475 235 HB3 CYS 26 1HB CYS 26 0.399 10.748 0.568 236 HG CYS 26 HG CYS 26 -1.191 10.540 2.402 237 H GLY 27 H GLY 27 1.615 14.556 -0.839 238 HA2 GLY 27 2HA GLY 27 4.035 14.655 -0.014 239 HA3 GLY 27 1HA GLY 27 4.057 12.953 -0.449 240 H LYS 28 H LYS 28 5.669 15.178 -1.475 241 HA LYS 28 HA LYS 28 4.750 15.728 -4.139 242 HB2 LYS 28 2HB LYS 28 7.544 16.088 -3.052 243 HB3 LYS 28 1HB LYS 28 6.822 16.901 -4.434 244 HG2 LYS 28 2HG LYS 28 5.757 18.417 -3.156 245 HG3 LYS 28 1HG LYS 28 5.416 17.255 -1.872 246 HD2 LYS 28 2HD LYS 28 8.115 17.453 -1.688 247 HD3 LYS 28 1HD LYS 28 7.695 19.082 -2.220 248 HE2 LYS 28 2HE LYS 28 6.465 17.660 0.139 249 HE3 LYS 28 1HE LYS 28 7.764 18.847 0.243 250 HZ1 LYS 28 3HZ LYS 28 5.092 19.402 -0.924 251 HZ2 LYS 28 1HZ LYS 28 6.323 20.523 -0.628 252 HZ3 LYS 28 2HZ LYS 28 5.531 19.776 0.666 253 H TYR 29 H TYR 29 4.544 13.962 -5.406 254 HA TYR 29 HA TYR 29 5.115 12.184 -6.702 255 HB2 TYR 29 2HB TYR 29 7.732 13.579 -6.316 256 HB3 TYR 29 1HB TYR 29 7.717 11.999 -7.094 257 HD1 TYR 29 2HD TYR 29 5.831 11.793 -8.998 258 HD2 TYR 29 1HD TYR 29 7.626 15.422 -7.691 259 HE1 TYR 29 2HE TYR 29 5.244 12.849 -11.140 260 HE2 TYR 29 1HE TYR 29 7.043 16.488 -9.828 261 HH TYR 29 HH TYR 29 4.915 15.737 -11.738 262 H VAL 30 H VAL 30 4.466 11.387 -4.275 263 HA VAL 30 HA VAL 30 6.371 10.047 -2.731 264 HB VAL 30 HB VAL 30 4.088 10.487 -1.944 265 HG11 VAL 30 1HG1 VAL 30 3.076 9.832 -4.211 266 HG12 VAL 30 2HG1 VAL 30 2.182 9.410 -2.749 267 HG13 VAL 30 3HG1 VAL 30 3.121 8.180 -3.596 268 HG21 VAL 30 3HG2 VAL 30 5.641 8.364 -1.325 269 HG22 VAL 30 1HG2 VAL 30 4.147 7.548 -1.789 270 HG23 VAL 30 2HG2 VAL 30 4.129 8.754 -0.503 271 H ASP 31 H ASP 31 7.726 8.532 -3.430 272 HA ASP 31 HA ASP 31 7.006 6.774 -5.614 273 HB2 ASP 31 2HB ASP 31 9.366 7.885 -4.897 274 HB3 ASP 31 1HB ASP 31 9.527 6.305 -4.136 275 H THR 32 H THR 32 7.962 4.396 -5.223 276 HA THR 32 HA THR 32 6.140 3.090 -3.561 277 HB THR 32 HB THR 32 7.454 1.066 -3.987 278 HG1 THR 32 1HG THR 32 9.374 2.864 -5.040 279 HG21 THR 32 3HG2 THR 32 6.069 2.197 -5.839 280 HG22 THR 32 1HG2 THR 32 7.204 0.920 -6.275 281 HG23 THR 32 2HG2 THR 32 7.636 2.610 -6.534 282 H GLY 33 H GLY 33 9.670 3.386 -3.089 283 HA2 GLY 33 2HA GLY 33 9.717 2.325 -0.496 284 HA3 GLY 33 1HA GLY 33 10.941 3.388 -1.178 285 H ILE 34 H ILE 34 9.065 5.578 -1.626 286 HA ILE 34 HA ILE 34 9.281 6.816 0.937 287 HB ILE 34 HB ILE 34 7.746 7.840 -1.451 288 HG12 ILE 34 2HG1 ILE 34 10.670 8.212 -0.761 289 HG13 ILE 34 1HG1 ILE 34 10.045 7.257 -2.102 290 HG21 ILE 34 1HG2 ILE 34 8.884 9.135 1.009 291 HG22 ILE 34 2HG2 ILE 34 7.214 9.132 0.443 292 HG23 ILE 34 3HG2 ILE 34 8.437 10.055 -0.429 293 HD11 ILE 34 3HD1 ILE 34 8.914 9.791 -2.400 294 HD12 ILE 34 1HD1 ILE 34 10.202 9.066 -3.360 295 HD13 ILE 34 2HD1 ILE 34 10.602 10.064 -1.963 296 H LEU 35 H LEU 35 6.606 5.556 -1.001 297 HA LEU 35 HA LEU 35 4.524 6.424 0.694 298 HB2 LEU 35 2HB LEU 35 4.590 5.338 -1.756 299 HB3 LEU 35 1HB LEU 35 4.188 3.903 -0.832 300 HG LEU 35 HG LEU 35 2.602 6.469 -0.935 301 HD11 LEU 35 1HD1 LEU 35 1.506 3.825 -1.702 302 HD12 LEU 35 2HD1 LEU 35 2.625 4.603 -2.821 303 HD13 LEU 35 3HD1 LEU 35 1.145 5.430 -2.335 304 HD21 LEU 35 3HD2 LEU 35 2.414 5.609 1.279 305 HD22 LEU 35 1HD2 LEU 35 2.206 3.962 0.685 306 HD23 LEU 35 2HD2 LEU 35 0.945 5.164 0.411 307 H ALA 36 H ALA 36 6.301 3.360 0.495 308 HA ALA 36 HA ALA 36 4.878 1.936 2.421 309 HB1 ALA 36 1HB ALA 36 6.869 0.524 2.614 310 HB2 ALA 36 2HB ALA 36 7.809 1.734 1.740 311 HB3 ALA 36 3HB ALA 36 6.491 0.887 0.930 312 H SER 37 H SER 37 7.580 4.183 2.777 313 HA SER 37 HA SER 37 8.011 3.734 5.536 314 HB2 SER 37 2HB SER 37 8.849 5.767 3.541 315 HB3 SER 37 1HB SER 37 8.929 6.245 5.237 316 HG SER 37 HG SER 37 10.104 4.179 5.518 317 H ASP 38 H ASP 38 6.048 6.090 3.766 318 HA ASP 38 HA ASP 38 5.172 7.477 6.097 319 HB2 ASP 38 2HB ASP 38 5.165 8.148 3.520 320 HB3 ASP 38 1HB ASP 38 3.531 7.499 3.609 321 H LEU 39 H LEU 39 3.698 5.017 4.004 322 HA LEU 39 HA LEU 39 1.215 4.844 5.251 323 HB2 LEU 39 2HB LEU 39 2.411 3.601 3.150 324 HB3 LEU 39 1HB LEU 39 2.367 2.296 4.321 325 HG LEU 39 HG LEU 39 -0.057 2.520 4.517 326 HD11 LEU 39 1HD1 LEU 39 -0.546 4.198 2.238 327 HD12 LEU 39 2HD1 LEU 39 0.383 5.074 3.454 328 HD13 LEU 39 3HD1 LEU 39 -1.160 4.338 3.885 329 HD21 LEU 39 3HD2 LEU 39 -0.657 1.665 2.348 330 HD22 LEU 39 1HD2 LEU 39 0.938 1.053 2.788 331 HD23 LEU 39 2HD2 LEU 39 0.789 2.372 1.627 332 H GLN 40 H GLN 40 4.277 3.291 6.051 333 HA GLN 40 HA GLN 40 3.186 1.639 8.114 334 HB2 GLN 40 2HB GLN 40 5.891 2.278 7.074 335 HB3 GLN 40 1HB GLN 40 5.800 1.700 8.733 336 HG2 GLN 40 2HG GLN 40 4.783 -0.336 8.053 337 HG3 GLN 40 1HG GLN 40 4.552 0.260 6.410 338 HE21 GLN 40 1HE2 GLN 40 6.779 1.134 5.507 339 HE22 GLN 40 2HE2 GLN 40 8.075 -0.003 5.633 340 H ARG 41 H ARG 41 4.884 4.745 8.042 341 HA ARG 41 HA ARG 41 5.218 5.093 10.791 342 HB2 ARG 41 2HB ARG 41 6.136 6.492 8.833 343 HB3 ARG 41 1HB ARG 41 4.614 7.369 8.920 344 HG2 ARG 41 2HG ARG 41 5.762 8.694 10.319 345 HG3 ARG 41 1HG ARG 41 5.354 7.454 11.506 346 HD2 ARG 41 2HD ARG 41 7.570 7.408 11.875 347 HD3 ARG 41 1HD ARG 41 7.605 6.407 10.424 348 HE ARG 41 HE ARG 41 7.795 8.945 9.470 349 HH11 ARG 41 1HH1 ARG 41 9.589 7.099 11.828 350 HH12 ARG 41 2HH1 ARG 41 11.078 7.932 11.532 351 HH21 ARG 41 1HH2 ARG 41 9.753 10.040 9.080 352 HH22 ARG 41 2HH2 ARG 41 11.171 9.602 9.972 353 H LEU 42 H LEU 42 2.537 6.128 8.697 354 HA LEU 42 HA LEU 42 1.028 7.269 10.819 355 HB2 LEU 42 2HB LEU 42 -0.867 7.167 9.156 356 HB3 LEU 42 1HB LEU 42 0.548 8.077 8.663 357 HG LEU 42 HG LEU 42 1.098 5.607 7.621 358 HD11 LEU 42 1HD1 LEU 42 -1.578 5.433 8.318 359 HD12 LEU 42 2HD1 LEU 42 -0.711 4.396 7.186 360 HD13 LEU 42 3HD1 LEU 42 -1.597 5.800 6.593 361 HD21 LEU 42 3HD2 LEU 42 0.775 8.155 6.705 362 HD22 LEU 42 1HD2 LEU 42 -0.510 7.299 5.855 363 HD23 LEU 42 2HD2 LEU 42 1.160 6.760 5.700 364 H TYR 43 H TYR 43 1.197 4.075 9.389 365 HA TYR 43 HA TYR 43 -0.839 3.160 11.315 366 HB2 TYR 43 2HB TYR 43 -0.225 2.334 8.512 367 HB3 TYR 43 1HB TYR 43 -0.826 1.114 9.630 368 HD1 TYR 43 2HD TYR 43 -2.785 2.529 11.222 369 HD2 TYR 43 1HD TYR 43 -1.949 2.870 7.066 370 HE1 TYR 43 2HE TYR 43 -5.087 3.299 10.829 371 HE2 TYR 43 1HE TYR 43 -4.247 3.644 6.660 372 HH TYR 43 HH TYR 43 -6.079 4.717 7.919 373 H SER 44 H SER 44 1.525 3.440 12.442 374 HA SER 44 HA SER 44 3.340 1.295 12.153 375 HB2 SER 44 2HB SER 44 4.266 2.053 14.307 376 HB3 SER 44 1HB SER 44 3.974 3.412 13.221 377 HG SER 44 HG SER 44 3.236 3.602 15.495 378 H VAL 45 H VAL 45 0.627 1.845 14.366 379 HA VAL 45 HA VAL 45 0.989 -0.530 15.869 380 HB VAL 45 HB VAL 45 -1.608 0.956 15.469 381 HG11 VAL 45 1HG1 VAL 45 -1.206 -1.393 16.738 382 HG12 VAL 45 2HG1 VAL 45 -2.448 -0.226 17.194 383 HG13 VAL 45 3HG1 VAL 45 -0.910 -0.261 18.057 384 HG21 VAL 45 3HG2 VAL 45 -0.946 2.188 17.547 385 HG22 VAL 45 1HG2 VAL 45 0.007 2.590 16.119 386 HG23 VAL 45 2HG2 VAL 45 0.676 1.522 17.352 387 H ASP 46 H ASP 46 -0.895 0.253 12.993 388 HA ASP 46 HA ASP 46 -2.192 -2.308 12.894 389 HB2 ASP 46 2HB ASP 46 -3.201 -0.226 11.960 390 HB3 ASP 46 1HB ASP 46 -1.958 -0.225 10.714 391 H TYR 47 H TYR 47 0.490 -0.752 11.182 392 HA TYR 47 HA TYR 47 1.121 -3.328 9.915 393 HB2 TYR 47 2HB TYR 47 1.856 -0.491 9.208 394 HB3 TYR 47 1HB TYR 47 2.667 -1.877 8.486 395 HD1 TYR 47 2HD TYR 47 0.827 -3.743 7.666 396 HD2 TYR 47 1HD TYR 47 0.225 0.462 7.901 397 HE1 TYR 47 2HE TYR 47 -0.955 -3.911 5.981 398 HE2 TYR 47 1HE TYR 47 -1.559 0.306 6.216 399 HH TYR 47 HH TYR 47 -3.080 -1.309 5.287 400 H GLY 48 H GLY 48 2.977 -0.521 11.116 401 HA2 GLY 48 2HA GLY 48 4.713 -0.481 12.661 402 HA3 GLY 48 1HA GLY 48 4.535 -2.218 12.862 403 H ARG 49 H ARG 49 5.757 -3.611 11.630 404 HA ARG 49 HA ARG 49 7.376 -2.633 9.457 405 HB2 ARG 49 2HB ARG 49 8.442 -2.466 12.039 406 HB3 ARG 49 1HB ARG 49 9.182 -3.899 11.337 407 HG2 ARG 49 2HG ARG 49 10.569 -2.653 10.150 408 HG3 ARG 49 1HG ARG 49 9.219 -1.788 9.414 409 HD2 ARG 49 2HD ARG 49 10.761 -0.269 10.568 410 HD3 ARG 49 1HD ARG 49 9.152 -0.246 11.288 411 HE ARG 49 HE ARG 49 10.869 -2.100 12.602 412 HH11 ARG 49 1HH1 ARG 49 10.105 1.296 12.352 413 HH12 ARG 49 2HH1 ARG 49 10.665 1.667 13.947 414 HH21 ARG 49 1HH2 ARG 49 11.604 -1.615 14.701 415 HH22 ARG 49 2HH2 ARG 49 11.516 0.015 15.282 416 H ARG 50 H ARG 50 7.890 -5.296 11.757 417 HA ARG 50 HA ARG 50 7.935 -7.551 11.491 418 HB2 ARG 50 2HB ARG 50 5.725 -6.676 9.713 419 HB3 ARG 50 1HB ARG 50 6.318 -8.317 9.493 420 HG2 ARG 50 2HG ARG 50 5.414 -7.199 12.135 421 HG3 ARG 50 1HG ARG 50 4.379 -8.115 11.038 422 HD2 ARG 50 2HD ARG 50 5.907 -10.020 11.192 423 HD3 ARG 50 1HD ARG 50 6.944 -9.103 12.281 424 HE ARG 50 HE ARG 50 4.224 -9.348 13.187 425 HH11 ARG 50 1HH1 ARG 50 7.382 -10.835 13.159 426 HH12 ARG 50 2HH1 ARG 50 7.101 -11.749 14.602 427 HH21 ARG 50 1HH2 ARG 50 3.853 -10.552 15.083 428 HH22 ARG 50 2HH2 ARG 50 5.098 -11.590 15.694 429 H LYS 51 H LYS 51 7.327 -6.859 8.072 430 HA LYS 51 HA LYS 51 10.021 -7.891 7.470 431 HB2 LYS 51 2HB LYS 51 7.363 -8.454 6.253 432 HB3 LYS 51 1HB LYS 51 8.754 -8.401 5.180 433 HG2 LYS 51 2HG LYS 51 9.710 -10.268 6.093 434 HG3 LYS 51 1HG LYS 51 8.922 -10.040 7.656 435 HD2 LYS 51 2HD LYS 51 7.361 -10.715 5.181 436 HD3 LYS 51 1HD LYS 51 8.105 -11.967 6.177 437 HE2 LYS 51 2HE LYS 51 6.700 -10.157 7.876 438 HE3 LYS 51 1HE LYS 51 5.629 -10.647 6.563 439 HZ1 LYS 51 3HZ LYS 51 7.191 -12.640 8.084 440 HZ2 LYS 51 1HZ LYS 51 5.794 -12.873 7.157 441 HZ3 LYS 51 2HZ LYS 51 5.697 -12.084 8.650 442 H ARG 52 H ARG 52 11.204 -6.114 7.058 443 HA ARG 52 HA ARG 52 10.193 -3.743 5.893 444 HB2 ARG 52 2HB ARG 52 12.449 -4.359 7.252 445 HB3 ARG 52 1HB ARG 52 13.084 -4.303 5.614 446 HG2 ARG 52 2HG ARG 52 13.089 -2.089 5.626 447 HG3 ARG 52 1HG ARG 52 11.386 -2.038 6.089 448 HD2 ARG 52 2HD ARG 52 11.853 -1.798 8.303 449 HD3 ARG 52 1HD ARG 52 13.343 -2.737 8.201 450 HE ARG 52 HE ARG 52 13.487 -0.201 6.859 451 HH11 ARG 52 1HH1 ARG 52 13.849 -1.837 9.920 452 HH12 ARG 52 2HH1 ARG 52 14.921 -0.645 10.574 453 HH21 ARG 52 1HH2 ARG 52 14.898 1.368 7.715 454 HH22 ARG 52 2HH2 ARG 52 15.518 1.175 9.322 455 H ASN 53 H ASN 53 11.909 -6.531 4.565 456 HA ASN 53 HA ASN 53 12.163 -5.421 1.944 457 HB2 ASN 53 2HB ASN 53 12.839 -7.717 1.293 458 HB3 ASN 53 1HB ASN 53 13.728 -7.119 2.691 459 HD21 ASN 53 1HD2 ASN 53 12.943 -9.854 1.655 460 HD22 ASN 53 2HD2 ASN 53 12.269 -10.645 3.036 461 H ALA 54 H ALA 54 10.007 -7.848 3.397 462 HA ALA 54 HA ALA 54 8.534 -8.424 1.082 463 HB1 ALA 54 1HB ALA 54 7.128 -8.520 3.686 464 HB2 ALA 54 2HB ALA 54 8.591 -9.492 3.524 465 HB3 ALA 54 3HB ALA 54 7.244 -9.733 2.412 466 H PHE 55 H PHE 55 7.864 -6.121 3.715 467 HA PHE 55 HA PHE 55 5.433 -5.154 2.731 468 HB2 PHE 55 2HB PHE 55 6.602 -4.739 5.012 469 HB3 PHE 55 1HB PHE 55 7.371 -3.384 4.192 470 HD1 PHE 55 2HD PHE 55 4.179 -4.773 5.358 471 HD2 PHE 55 1HD PHE 55 6.142 -1.415 3.633 472 HE1 PHE 55 2HE PHE 55 2.189 -3.392 5.793 473 HE2 PHE 55 1HE PHE 55 4.157 -0.027 4.065 474 HZ PHE 55 HZ PHE 55 2.177 -1.016 5.146 475 H ARG 56 H ARG 56 8.753 -4.117 2.098 476 HA ARG 56 HA ARG 56 8.190 -1.817 0.612 477 HB2 ARG 56 2HB ARG 56 10.497 -3.722 0.712 478 HB3 ARG 56 1HB ARG 56 10.456 -2.486 -0.537 479 HG2 ARG 56 2HG ARG 56 9.984 -1.625 2.259 480 HG3 ARG 56 1HG ARG 56 11.623 -2.093 1.803 481 HD2 ARG 56 2HD ARG 56 11.899 -0.305 0.443 482 HD3 ARG 56 1HD ARG 56 10.211 -0.297 -0.066 483 HE ARG 56 HE ARG 56 9.738 1.175 1.625 484 HH11 ARG 56 1HH1 ARG 56 12.894 -0.211 2.171 485 HH12 ARG 56 2HH1 ARG 56 13.279 0.866 3.472 486 HH21 ARG 56 1HH2 ARG 56 10.242 2.590 3.336 487 HH22 ARG 56 2HH2 ARG 56 11.774 2.455 4.134 488 H ILE 57 H ILE 57 8.515 -5.194 -0.399 489 HA ILE 57 HA ILE 57 8.199 -4.703 -3.173 490 HB ILE 57 HB ILE 57 7.561 -7.254 -1.689 491 HG12 ILE 57 2HG1 ILE 57 10.163 -6.786 -3.080 492 HG13 ILE 57 1HG1 ILE 57 9.935 -6.096 -1.476 493 HG21 ILE 57 1HG2 ILE 57 7.811 -8.369 -3.756 494 HG22 ILE 57 2HG2 ILE 57 8.477 -6.932 -4.534 495 HG23 ILE 57 3HG2 ILE 57 6.774 -6.977 -4.077 496 HD11 ILE 57 3HD1 ILE 57 10.172 -8.072 -0.478 497 HD12 ILE 57 1HD1 ILE 57 10.855 -8.605 -2.015 498 HD13 ILE 57 2HD1 ILE 57 9.152 -8.896 -1.659 499 H GLN 58 H GLN 58 5.955 -5.320 -0.544 500 HA GLN 58 HA GLN 58 3.664 -5.808 -2.127 501 HB2 GLN 58 2HB GLN 58 4.285 -5.646 0.637 502 HB3 GLN 58 1HB GLN 58 2.943 -4.550 0.346 503 HG2 GLN 58 2HG GLN 58 2.655 -7.160 -0.939 504 HG3 GLN 58 1HG GLN 58 2.726 -7.219 0.822 505 HE21 GLN 58 1HE2 GLN 58 0.673 -7.089 -1.676 506 HE22 GLN 58 2HE2 GLN 58 -0.669 -6.287 -0.940 507 H VAL 59 H VAL 59 4.938 -2.864 -0.609 508 HA VAL 59 HA VAL 59 2.852 -1.172 -1.546 509 HB VAL 59 HB VAL 59 5.645 -0.350 -0.740 510 HG11 VAL 59 1HG1 VAL 59 3.177 1.087 -1.415 511 HG12 VAL 59 2HG1 VAL 59 4.856 1.629 -1.452 512 HG13 VAL 59 3HG1 VAL 59 3.964 1.624 0.070 513 HG21 VAL 59 3HG2 VAL 59 5.085 -0.438 1.472 514 HG22 VAL 59 1HG2 VAL 59 4.126 -1.793 0.879 515 HG23 VAL 59 2HG2 VAL 59 3.362 -0.230 1.159 516 H GLU 60 H GLU 60 5.956 -2.191 -2.808 517 HA GLU 60 HA GLU 60 6.206 -0.282 -4.868 518 HB2 GLU 60 2HB GLU 60 7.390 -2.945 -4.269 519 HB3 GLU 60 1HB GLU 60 7.520 -2.362 -5.924 520 HG2 GLU 60 2HG GLU 60 8.556 -0.284 -5.053 521 HG3 GLU 60 1HG GLU 60 8.531 -0.996 -3.440 522 H LYS 61 H LYS 61 4.755 -3.512 -4.780 523 HA LYS 61 HA LYS 61 3.956 -3.454 -7.530 524 HB2 LYS 61 2HB LYS 61 3.647 -5.298 -5.236 525 HB3 LYS 61 1HB LYS 61 2.384 -5.377 -6.457 526 HG2 LYS 61 2HG LYS 61 4.064 -7.003 -6.967 527 HG3 LYS 61 1HG LYS 61 4.130 -5.720 -8.177 528 HD2 LYS 61 2HD LYS 61 5.884 -4.810 -6.291 529 HD3 LYS 61 1HD LYS 61 6.126 -6.555 -6.201 530 HE2 LYS 61 2HE LYS 61 6.287 -4.858 -8.690 531 HE3 LYS 61 1HE LYS 61 7.652 -5.543 -7.809 532 HZ1 LYS 61 3HZ LYS 61 5.659 -7.475 -8.597 533 HZ2 LYS 61 1HZ LYS 61 7.345 -7.538 -8.738 534 HZ3 LYS 61 2HZ LYS 61 6.428 -6.716 -9.897 535 H VAL 62 H VAL 62 2.410 -2.794 -4.432 536 HA VAL 62 HA VAL 62 -0.220 -2.496 -5.399 537 HB VAL 62 HB VAL 62 1.188 -1.535 -2.927 538 HG11 VAL 62 1HG1 VAL 62 -1.352 -0.961 -2.302 539 HG12 VAL 62 2HG1 VAL 62 -1.382 -0.554 -4.018 540 HG13 VAL 62 3HG1 VAL 62 -0.228 0.237 -2.944 541 HG21 VAL 62 3HG2 VAL 62 -1.114 -2.959 -2.295 542 HG22 VAL 62 1HG2 VAL 62 0.542 -3.563 -2.273 543 HG23 VAL 62 2HG2 VAL 62 -0.457 -3.783 -3.709 544 H PHE 63 H PHE 63 2.523 -0.328 -5.262 545 HA PHE 63 HA PHE 63 1.062 2.053 -5.831 546 HB2 PHE 63 2HB PHE 63 3.290 2.093 -4.773 547 HB3 PHE 63 1HB PHE 63 3.998 1.447 -6.249 548 HD1 PHE 63 1HD PHE 63 2.295 4.371 -4.781 549 HD2 PHE 63 2HD PHE 63 4.517 2.849 -8.076 550 HE1 PHE 63 1HE PHE 63 2.592 6.660 -5.631 551 HE2 PHE 63 2HE PHE 63 4.818 5.135 -8.933 552 HZ PHE 63 HZ PHE 63 3.856 7.045 -7.710 553 H SER 64 H SER 64 2.812 -0.316 -7.772 554 HA SER 64 HA SER 64 2.451 1.082 -10.240 555 HB2 SER 64 2HB SER 64 3.505 -0.777 -11.273 556 HB3 SER 64 1HB SER 64 4.290 -0.602 -9.703 557 HG SER 64 HG SER 64 3.781 -2.637 -9.518 558 H ILE 65 H ILE 65 0.678 -1.380 -8.485 559 HA ILE 65 HA ILE 65 -1.007 -2.088 -10.690 560 HB ILE 65 HB ILE 65 -0.478 -3.558 -8.684 561 HG12 ILE 65 2HG1 ILE 65 -3.423 -3.267 -9.276 562 HG13 ILE 65 1HG1 ILE 65 -2.279 -3.935 -10.434 563 HG21 ILE 65 1HG2 ILE 65 -1.759 -3.353 -6.697 564 HG22 ILE 65 2HG2 ILE 65 -2.739 -2.056 -7.384 565 HG23 ILE 65 3HG2 ILE 65 -1.041 -1.776 -7.010 566 HD11 ILE 65 3HD1 ILE 65 -1.836 -5.797 -9.071 567 HD12 ILE 65 1HD1 ILE 65 -3.586 -5.585 -9.047 568 HD13 ILE 65 2HD1 ILE 65 -2.616 -5.056 -7.673 569 H ILE 66 H ILE 66 -1.376 0.005 -7.849 570 HA ILE 66 HA ILE 66 -4.070 0.648 -8.164 571 HB ILE 66 HB ILE 66 -3.564 2.736 -6.929 572 HG12 ILE 66 2HG1 ILE 66 -0.703 1.790 -7.188 573 HG13 ILE 66 1HG1 ILE 66 -1.385 3.241 -7.914 574 HG21 ILE 66 1HG2 ILE 66 -2.733 0.041 -6.034 575 HG22 ILE 66 2HG2 ILE 66 -3.981 1.115 -5.401 576 HG23 ILE 66 3HG2 ILE 66 -2.288 1.400 -5.002 577 HD11 ILE 66 3HD1 ILE 66 -0.789 2.686 -5.035 578 HD12 ILE 66 1HD1 ILE 66 -1.909 3.958 -5.518 579 HD13 ILE 66 2HD1 ILE 66 -0.231 4.014 -6.053 580 H SER 67 H SER 67 -1.224 1.942 -9.773 581 HA SER 67 HA SER 67 -2.551 4.157 -10.969 582 HB2 SER 67 2HB SER 67 -0.184 3.008 -12.336 583 HB3 SER 67 1HB SER 67 -0.519 4.675 -11.867 584 HG SER 67 HG SER 67 0.713 2.637 -10.446 585 H SER 68 H SER 68 -1.562 0.980 -12.233 586 HA SER 68 HA SER 68 -2.802 1.401 -14.770 587 HB2 SER 68 2HB SER 68 -1.294 -0.755 -13.439 588 HB3 SER 68 1HB SER 68 -2.465 -1.297 -14.642 589 HG SER 68 HG SER 68 -0.076 -0.382 -15.106 590 H GLU 69 H GLU 69 -3.686 -0.468 -11.882 591 HA GLU 69 HA GLU 69 -6.004 -1.639 -12.947 592 HB2 GLU 69 2HB GLU 69 -4.661 -2.094 -10.730 593 HB3 GLU 69 1HB GLU 69 -5.829 -0.974 -10.040 594 HG2 GLU 69 2HG GLU 69 -7.647 -2.382 -10.616 595 HG3 GLU 69 1HG GLU 69 -6.615 -3.412 -11.608 596 H LYS 70 H LYS 70 -5.643 1.287 -10.931 597 HA LYS 70 HA LYS 70 -8.458 1.894 -11.261 598 HB2 LYS 70 2HB LYS 70 -6.315 2.759 -9.492 599 HB3 LYS 70 1HB LYS 70 -7.290 4.104 -10.062 600 HG2 LYS 70 2HG LYS 70 -8.514 3.562 -8.246 601 HG3 LYS 70 1HG LYS 70 -9.251 2.433 -9.384 602 HD2 LYS 70 2HD LYS 70 -8.062 0.612 -8.528 603 HD3 LYS 70 1HD LYS 70 -6.866 1.645 -7.744 604 HE2 LYS 70 2HE LYS 70 -8.176 0.899 -5.974 605 HE3 LYS 70 1HE LYS 70 -8.840 2.493 -6.328 606 HZ1 LYS 70 3HZ LYS 70 -10.049 -0.123 -6.627 607 HZ2 LYS 70 1HZ LYS 70 -10.335 0.946 -7.908 608 HZ3 LYS 70 2HZ LYS 70 -10.773 1.378 -6.332 609 H GLU 71 H GLU 71 -5.364 3.426 -12.129 610 HA GLU 71 HA GLU 71 -4.807 4.905 -13.765 611 HB2 GLU 71 2HB GLU 71 -7.267 3.655 -14.966 612 HB3 GLU 71 1HB GLU 71 -6.381 4.922 -15.803 613 HG2 GLU 71 2HG GLU 71 -4.546 3.592 -16.169 614 HG3 GLU 71 1HG GLU 71 -4.909 2.535 -14.805 615 H LEU 72 H LEU 72 -5.288 7.010 -14.619 616 HA LEU 72 HA LEU 72 -7.008 8.512 -12.871 617 HB2 LEU 72 2HB LEU 72 -4.684 9.089 -14.113 618 HB3 LEU 72 1HB LEU 72 -5.812 9.825 -15.236 619 HG LEU 72 HG LEU 72 -6.220 10.479 -12.380 620 HD11 LEU 72 1HD1 LEU 72 -4.334 11.652 -12.003 621 HD12 LEU 72 2HD1 LEU 72 -4.145 12.105 -13.697 622 HD13 LEU 72 3HD1 LEU 72 -3.641 10.506 -13.150 623 HD21 LEU 72 3HD2 LEU 72 -7.226 12.306 -13.223 624 HD22 LEU 72 1HD2 LEU 72 -7.261 11.366 -14.714 625 HD23 LEU 72 2HD2 LEU 72 -5.984 12.554 -14.450 626 H LYS 73 H LYS 73 -9.067 7.661 -13.440 627 HA LYS 73 HA LYS 73 -11.001 7.451 -14.644 628 HB2 LYS 73 2HB LYS 73 -11.830 9.602 -15.541 629 HB3 LYS 73 1HB LYS 73 -11.167 9.752 -13.920 630 HG2 LYS 73 2HG LYS 73 -9.166 10.754 -14.759 631 HG3 LYS 73 1HG LYS 73 -9.647 10.433 -16.426 632 HD2 LYS 73 2HD LYS 73 -11.420 12.008 -16.309 633 HD3 LYS 73 1HD LYS 73 -11.264 12.154 -14.558 634 HE2 LYS 73 2HE LYS 73 -9.386 13.471 -14.697 635 HE3 LYS 73 1HE LYS 73 -8.922 12.828 -16.271 636 HZ1 LYS 73 3HZ LYS 73 -11.392 14.400 -16.053 637 HZ2 LYS 73 1HZ LYS 73 -10.336 14.232 -17.365 638 HZ3 LYS 73 2HZ LYS 73 -9.909 15.213 -16.055 639 H ASN 74 H ASN 74 -9.334 6.036 -16.035 640 HA ASN 74 HA ASN 74 -9.272 7.020 -18.790 641 HB2 ASN 74 2HB ASN 74 -7.288 5.867 -17.513 642 HB3 ASN 74 1HB ASN 74 -8.125 4.382 -17.954 643 HD21 ASN 74 1HD2 ASN 74 -8.320 3.827 -20.133 644 HD22 ASN 74 2HD2 ASN 74 -7.306 4.528 -21.343 Start of MODEL 4 1 H MET 1 H MET 1 -27.056 -5.946 6.751 2 HA MET 1 HA MET 1 -24.651 -4.996 8.144 3 HB2 MET 1 2HB MET 1 -25.863 -7.699 7.887 4 HB3 MET 1 1HB MET 1 -24.126 -7.581 7.645 5 HG2 MET 1 2HG MET 1 -23.759 -6.810 9.822 6 HG3 MET 1 1HG MET 1 -25.459 -6.412 10.060 7 HE1 MET 1 2HE MET 1 -23.785 -8.150 12.278 8 HE2 MET 1 3HE MET 1 -22.744 -8.603 10.929 9 HE3 MET 1 1HE MET 1 -23.578 -9.850 11.856 10 H LYS 2 H LYS 2 -22.817 -6.340 6.787 11 HA LYS 2 HA LYS 2 -22.956 -5.163 4.158 12 HB2 LYS 2 2HB LYS 2 -20.632 -5.877 3.937 13 HB3 LYS 2 1HB LYS 2 -20.884 -5.056 5.471 14 HG2 LYS 2 2HG LYS 2 -21.089 -7.304 6.546 15 HG3 LYS 2 1HG LYS 2 -20.598 -8.012 5.005 16 HD2 LYS 2 2HD LYS 2 -18.461 -7.660 5.505 17 HD3 LYS 2 1HD LYS 2 -18.767 -5.930 5.670 18 HE2 LYS 2 2HE LYS 2 -19.632 -6.497 8.011 19 HE3 LYS 2 1HE LYS 2 -18.853 -8.063 7.782 20 HZ1 LYS 2 3HZ LYS 2 -17.212 -6.851 8.804 21 HZ2 LYS 2 1HZ LYS 2 -17.629 -5.402 8.036 22 HZ3 LYS 2 2HZ LYS 2 -16.814 -6.610 7.178 23 HA PRO 3 HA PRO 3 -24.238 -8.923 2.163 24 HB2 PRO 3 2HB PRO 3 -24.017 -8.152 -0.387 25 HB3 PRO 3 1HB PRO 3 -25.236 -7.447 0.682 26 HG2 PRO 3 2HG PRO 3 -22.598 -6.333 -0.179 27 HG3 PRO 3 1HG PRO 3 -24.159 -5.510 -0.008 28 HD2 PRO 3 2HD PRO 3 -22.137 -5.439 1.870 29 HD3 PRO 3 1HD PRO 3 -23.852 -5.153 2.227 30 H ARG 4 H ARG 4 -21.753 -9.317 3.161 31 HA ARG 4 HA ARG 4 -19.820 -10.480 2.879 32 HB2 ARG 4 2HB ARG 4 -21.732 -11.755 1.366 33 HB3 ARG 4 1HB ARG 4 -20.434 -11.516 0.207 34 HG2 ARG 4 2HG ARG 4 -19.328 -13.232 1.055 35 HG3 ARG 4 1HG ARG 4 -19.304 -12.459 2.642 36 HD2 ARG 4 2HD ARG 4 -21.412 -14.293 1.517 37 HD3 ARG 4 1HD ARG 4 -20.341 -14.596 2.885 38 HE ARG 4 HE ARG 4 -21.983 -12.292 3.276 39 HH11 ARG 4 1HH1 ARG 4 -21.936 -15.775 3.461 40 HH12 ARG 4 2HH1 ARG 4 -23.189 -15.854 4.654 41 HH21 ARG 4 1HH2 ARG 4 -23.632 -12.392 4.844 42 HH22 ARG 4 2HH2 ARG 4 -24.152 -13.934 5.439 43 HA PRO 5 HA PRO 5 -18.004 -7.242 0.158 44 HB2 PRO 5 2HB PRO 5 -15.941 -6.651 1.808 45 HB3 PRO 5 1HB PRO 5 -17.552 -5.950 2.006 46 HG2 PRO 5 2HG PRO 5 -16.296 -8.249 3.456 47 HG3 PRO 5 1HG PRO 5 -17.260 -6.910 4.106 48 HD2 PRO 5 2HD PRO 5 -18.296 -9.373 3.648 49 HD3 PRO 5 1HD PRO 5 -19.256 -7.888 3.500 50 H GLY 6 H GLY 6 -15.348 -6.988 -0.065 51 HA2 GLY 6 2HA GLY 6 -14.520 -9.664 -0.967 52 HA3 GLY 6 1HA GLY 6 -13.934 -8.143 -1.623 53 H VAL 7 H VAL 7 -12.004 -7.462 -0.964 54 HA VAL 7 HA VAL 7 -10.051 -7.298 0.194 55 HB VAL 7 HB VAL 7 -11.618 -8.179 2.619 56 HG11 VAL 7 1HG1 VAL 7 -8.938 -7.038 2.146 57 HG12 VAL 7 2HG1 VAL 7 -9.514 -8.094 3.437 58 HG13 VAL 7 3HG1 VAL 7 -9.844 -6.362 3.501 59 HG21 VAL 7 3HG2 VAL 7 -12.147 -5.865 3.028 60 HG22 VAL 7 1HG2 VAL 7 -12.734 -6.312 1.426 61 HG23 VAL 7 2HG2 VAL 7 -11.254 -5.367 1.591 62 H PHE 8 H PHE 8 -8.517 -8.735 -0.231 63 HA PHE 8 HA PHE 8 -8.976 -11.562 0.269 64 HB2 PHE 8 2HB PHE 8 -8.030 -10.909 -1.888 65 HB3 PHE 8 1HB PHE 8 -6.672 -10.136 -1.078 66 HD1 PHE 8 2HD PHE 8 -8.356 -13.461 -0.822 67 HD2 PHE 8 1HD PHE 8 -4.723 -11.304 -1.329 68 HE1 PHE 8 2HE PHE 8 -7.112 -15.583 -0.901 69 HE2 PHE 8 1HE PHE 8 -3.472 -13.421 -1.411 70 HZ PHE 8 HZ PHE 8 -4.666 -15.564 -1.196 71 H VAL 9 H VAL 9 -6.011 -9.653 0.683 72 HA VAL 9 HA VAL 9 -5.874 -10.353 3.499 73 HB VAL 9 HB VAL 9 -3.624 -11.156 1.652 74 HG11 VAL 9 1HG1 VAL 9 -2.512 -11.952 3.512 75 HG12 VAL 9 2HG1 VAL 9 -3.988 -12.085 4.468 76 HG13 VAL 9 3HG1 VAL 9 -3.283 -10.500 4.150 77 HG21 VAL 9 3HG2 VAL 9 -4.292 -13.484 2.156 78 HG22 VAL 9 1HG2 VAL 9 -5.505 -12.607 1.222 79 HG23 VAL 9 2HG2 VAL 9 -5.740 -12.868 2.951 80 H ASP 10 H ASP 10 -3.874 -9.119 0.818 81 HA ASP 10 HA ASP 10 -3.024 -6.914 2.567 82 HB2 ASP 10 2HB ASP 10 -1.747 -8.255 0.199 83 HB3 ASP 10 1HB ASP 10 -1.265 -6.629 0.673 84 H ARG 11 H ARG 11 -5.515 -7.293 0.770 85 HA ARG 11 HA ARG 11 -5.378 -5.490 -1.368 86 HB2 ARG 11 2HB ARG 11 -7.300 -7.154 -0.317 87 HB3 ARG 11 1HB ARG 11 -7.963 -5.559 0.013 88 HG2 ARG 11 2HG ARG 11 -8.838 -6.127 -2.068 89 HG3 ARG 11 1HG ARG 11 -7.491 -5.051 -2.447 90 HD2 ARG 11 2HD ARG 11 -6.116 -7.240 -2.622 91 HD3 ARG 11 1HD ARG 11 -7.690 -8.021 -2.770 92 HE ARG 11 HE ARG 11 -7.818 -6.058 -4.616 93 HH11 ARG 11 1HH1 ARG 11 -5.464 -8.554 -3.972 94 HH12 ARG 11 2HH1 ARG 11 -4.968 -8.687 -5.625 95 HH21 ARG 11 1HH2 ARG 11 -7.167 -6.232 -6.791 96 HH22 ARG 11 2HH2 ARG 11 -5.934 -7.369 -7.226 97 H LYS 12 H LYS 12 -5.807 -4.981 2.059 98 HA LYS 12 HA LYS 12 -6.895 -2.431 2.097 99 HB2 LYS 12 2HB LYS 12 -5.143 -3.980 3.938 100 HB3 LYS 12 1HB LYS 12 -5.307 -2.253 4.230 101 HG2 LYS 12 2HG LYS 12 -6.903 -3.483 5.557 102 HG3 LYS 12 1HG LYS 12 -7.743 -2.516 4.343 103 HD2 LYS 12 2HD LYS 12 -8.821 -4.596 4.287 104 HD3 LYS 12 1HD LYS 12 -7.722 -4.631 2.906 105 HE2 LYS 12 2HE LYS 12 -7.088 -6.614 3.746 106 HE3 LYS 12 1HE LYS 12 -6.139 -5.639 4.867 107 HZ1 LYS 12 3HZ LYS 12 -7.465 -7.326 6.004 108 HZ2 LYS 12 1HZ LYS 12 -8.885 -6.645 5.385 109 HZ3 LYS 12 2HZ LYS 12 -7.926 -5.765 6.466 110 H LEU 13 H LEU 13 -3.558 -3.437 1.569 111 HA LEU 13 HA LEU 13 -2.298 -0.962 1.786 112 HB2 LEU 13 2HB LEU 13 -1.432 -3.442 1.278 113 HB3 LEU 13 1HB LEU 13 -1.395 -2.810 -0.357 114 HG LEU 13 HG LEU 13 0.785 -2.546 0.583 115 HD11 LEU 13 1HD1 LEU 13 -0.309 0.213 0.877 116 HD12 LEU 13 2HD1 LEU 13 -0.407 -0.602 -0.683 117 HD13 LEU 13 3HD1 LEU 13 1.162 -0.336 0.075 118 HD21 LEU 13 3HD2 LEU 13 -0.719 -1.516 2.940 119 HD22 LEU 13 1HD2 LEU 13 0.913 -0.921 2.637 120 HD23 LEU 13 2HD2 LEU 13 0.632 -2.647 2.869 121 H LYS 14 H LYS 14 -3.951 -2.452 -0.957 122 HA LYS 14 HA LYS 14 -3.339 -0.332 -2.778 123 HB2 LYS 14 2HB LYS 14 -3.899 -2.735 -3.388 124 HB3 LYS 14 1HB LYS 14 -5.576 -2.340 -3.036 125 HG2 LYS 14 2HG LYS 14 -5.142 -0.380 -4.721 126 HG3 LYS 14 1HG LYS 14 -3.847 -1.441 -5.281 127 HD2 LYS 14 2HD LYS 14 -5.465 -2.324 -6.577 128 HD3 LYS 14 1HD LYS 14 -5.902 -3.196 -5.107 129 HE2 LYS 14 2HE LYS 14 -7.049 -0.499 -5.773 130 HE3 LYS 14 1HE LYS 14 -7.776 -1.996 -6.353 131 HZ1 LYS 14 3HZ LYS 14 -7.750 -2.676 -3.906 132 HZ2 LYS 14 1HZ LYS 14 -8.903 -1.537 -4.393 133 HZ3 LYS 14 2HZ LYS 14 -7.511 -1.035 -3.575 134 H GLN 15 H GLN 15 -6.223 -1.280 -0.937 135 HA GLN 15 HA GLN 15 -7.901 0.783 -1.851 136 HB2 GLN 15 2HB GLN 15 -8.484 -1.376 -0.556 137 HB3 GLN 15 1HB GLN 15 -8.126 -0.436 0.886 138 HG2 GLN 15 2HG GLN 15 -10.341 -0.032 0.774 139 HG3 GLN 15 1HG GLN 15 -9.797 1.264 -0.291 140 HE21 GLN 15 1HE2 GLN 15 -10.770 -2.143 -0.373 141 HE22 GLN 15 2HE2 GLN 15 -11.607 -2.048 -1.881 142 H ARG 16 H ARG 16 -5.871 0.554 1.061 143 HA ARG 16 HA ARG 16 -6.593 3.076 2.105 144 HB2 ARG 16 2HB ARG 16 -5.176 0.977 3.066 145 HB3 ARG 16 1HB ARG 16 -3.866 2.087 2.684 146 HG2 ARG 16 2HG ARG 16 -6.235 2.918 4.325 147 HG3 ARG 16 1HG ARG 16 -4.809 2.163 5.038 148 HD2 ARG 16 2HD ARG 16 -3.473 3.974 4.624 149 HD3 ARG 16 1HD ARG 16 -4.414 4.484 3.223 150 HE ARG 16 HE ARG 16 -4.826 5.248 5.964 151 HH11 ARG 16 1HH1 ARG 16 -6.329 4.898 2.835 152 HH12 ARG 16 2HH1 ARG 16 -7.578 6.050 3.167 153 HH21 ARG 16 1HH2 ARG 16 -6.469 6.764 6.404 154 HH22 ARG 16 2HH2 ARG 16 -7.658 7.110 5.193 155 H VAL 17 H VAL 17 -3.968 2.028 -0.021 156 HA VAL 17 HA VAL 17 -2.626 4.514 -0.113 157 HB VAL 17 HB VAL 17 -2.605 2.099 -1.904 158 HG11 VAL 17 1HG1 VAL 17 -0.505 3.394 -2.876 159 HG12 VAL 17 2HG1 VAL 17 -1.499 4.796 -2.475 160 HG13 VAL 17 3HG1 VAL 17 -2.114 3.565 -3.579 161 HG21 VAL 17 3HG2 VAL 17 -0.561 1.621 -0.948 162 HG22 VAL 17 1HG2 VAL 17 -1.431 2.345 0.405 163 HG23 VAL 17 2HG2 VAL 17 -0.259 3.302 -0.502 164 H ILE 18 H ILE 18 -4.916 3.009 -2.413 165 HA ILE 18 HA ILE 18 -5.014 5.077 -4.259 166 HB ILE 18 HB ILE 18 -7.193 4.234 -4.955 167 HG12 ILE 18 2HG1 ILE 18 -7.075 2.457 -2.510 168 HG13 ILE 18 1HG1 ILE 18 -8.113 3.870 -2.665 169 HG21 ILE 18 1HG2 ILE 18 -4.892 2.474 -4.452 170 HG22 ILE 18 2HG2 ILE 18 -5.726 2.856 -5.959 171 HG23 ILE 18 3HG2 ILE 18 -6.403 1.657 -4.856 172 HD11 ILE 18 3HD1 ILE 18 -9.179 2.780 -4.629 173 HD12 ILE 18 1HD1 ILE 18 -9.414 1.929 -3.103 174 HD13 ILE 18 2HD1 ILE 18 -8.234 1.334 -4.271 175 H GLN 19 H GLN 19 -6.762 4.708 -1.222 176 HA GLN 19 HA GLN 19 -8.459 6.967 -1.614 177 HB2 GLN 19 2HB GLN 19 -7.685 5.456 0.885 178 HB3 GLN 19 1HB GLN 19 -8.896 6.730 0.839 179 HG2 GLN 19 2HG GLN 19 -9.188 4.451 -1.039 180 HG3 GLN 19 1HG GLN 19 -9.547 4.185 0.665 181 HE21 GLN 19 1HE2 GLN 19 -10.753 6.380 1.497 182 HE22 GLN 19 2HE2 GLN 19 -12.195 6.700 0.601 183 H TYR 20 H TYR 20 -5.271 6.472 -0.280 184 HA TYR 20 HA TYR 20 -5.081 8.989 1.042 185 HB2 TYR 20 2HB TYR 20 -3.419 6.661 0.658 186 HB3 TYR 20 1HB TYR 20 -2.481 8.125 0.392 187 HD1 TYR 20 1HD TYR 20 -3.833 9.945 2.346 188 HD2 TYR 20 2HD TYR 20 -2.583 5.894 2.710 189 HE1 TYR 20 1HE TYR 20 -3.604 10.239 4.776 190 HE2 TYR 20 2HE TYR 20 -2.351 6.178 5.140 191 HH TYR 20 HH TYR 20 -1.969 8.752 6.665 192 H LEU 21 H LEU 21 -4.055 7.791 -2.132 193 HA LEU 21 HA LEU 21 -2.782 10.235 -2.885 194 HB2 LEU 21 2HB LEU 21 -3.798 8.344 -4.948 195 HB3 LEU 21 1HB LEU 21 -2.291 9.234 -4.898 196 HG LEU 21 HG LEU 21 -2.442 7.238 -2.782 197 HD11 LEU 21 1HD1 LEU 21 -2.016 5.850 -5.305 198 HD12 LEU 21 2HD1 LEU 21 -3.677 6.400 -5.087 199 HD13 LEU 21 3HD1 LEU 21 -2.929 5.358 -3.879 200 HD21 LEU 21 3HD2 LEU 21 -0.433 8.503 -3.651 201 HD22 LEU 21 1HD2 LEU 21 -0.497 7.443 -5.061 202 HD23 LEU 21 2HD2 LEU 21 -0.238 6.760 -3.455 203 H SER 22 H SER 22 -5.953 8.797 -3.469 204 HA SER 22 HA SER 22 -6.886 10.755 -5.276 205 HB2 SER 22 2HB SER 22 -8.139 8.623 -3.612 206 HB3 SER 22 1HB SER 22 -9.190 9.882 -4.262 207 HG SER 22 HG SER 22 -7.558 8.049 -5.662 208 H SER 23 H SER 23 -7.331 10.385 -1.768 209 HA SER 23 HA SER 23 -8.865 12.743 -1.448 210 HB2 SER 23 2HB SER 23 -8.494 10.677 0.150 211 HB3 SER 23 1HB SER 23 -7.187 11.675 0.786 212 HG SER 23 HG SER 23 -9.947 12.065 0.890 213 H ASN 24 H ASN 24 -5.410 12.051 -1.110 214 HA ASN 24 HA ASN 24 -4.856 14.900 -1.403 215 HB2 ASN 24 2HB ASN 24 -3.451 13.361 0.770 216 HB3 ASN 24 1HB ASN 24 -3.513 15.104 0.524 217 HD21 ASN 24 1HD2 ASN 24 -5.254 12.300 1.637 218 HD22 ASN 24 2HD2 ASN 24 -6.465 13.157 2.523 219 H ARG 25 H ARG 25 -2.493 15.299 -1.754 220 HA ARG 25 HA ARG 25 -1.516 13.503 -3.739 221 HB2 ARG 25 2HB ARG 25 -0.748 16.128 -2.646 222 HB3 ARG 25 1HB ARG 25 0.593 15.161 -3.242 223 HG2 ARG 25 2HG ARG 25 -1.865 15.920 -4.808 224 HG3 ARG 25 1HG ARG 25 -0.265 16.651 -4.962 225 HD2 ARG 25 2HD ARG 25 0.521 14.221 -5.417 226 HD3 ARG 25 1HD ARG 25 -1.182 13.914 -5.756 227 HE ARG 25 HE ARG 25 0.677 15.383 -7.385 228 HH11 ARG 25 1HH1 ARG 25 -2.692 14.894 -6.617 229 HH12 ARG 25 2HH1 ARG 25 -3.254 15.469 -8.150 230 HH21 ARG 25 1HH2 ARG 25 -0.061 16.141 -9.403 231 HH22 ARG 25 2HH2 ARG 25 -1.761 16.177 -9.732 232 H CYS 26 H CYS 26 -0.974 13.895 -0.340 233 HA CYS 26 HA CYS 26 0.237 12.707 1.171 234 HB2 CYS 26 2HB CYS 26 -0.015 10.846 -1.120 235 HB3 CYS 26 1HB CYS 26 1.252 10.469 0.043 236 HG CYS 26 HG CYS 26 -0.492 9.478 1.427 237 H GLY 27 H GLY 27 1.522 14.781 -0.238 238 HA2 GLY 27 2HA GLY 27 3.772 15.490 0.166 239 HA3 GLY 27 1HA GLY 27 4.297 13.827 -0.047 240 H LYS 28 H LYS 28 2.273 13.990 -2.478 241 HA LYS 28 HA LYS 28 2.384 14.397 -4.716 242 HB2 LYS 28 2HB LYS 28 4.616 16.360 -4.251 243 HB3 LYS 28 1HB LYS 28 3.414 16.351 -5.534 244 HG2 LYS 28 2HG LYS 28 2.008 16.544 -3.097 245 HG3 LYS 28 1HG LYS 28 3.351 17.686 -3.015 246 HD2 LYS 28 2HD LYS 28 1.885 17.647 -5.568 247 HD3 LYS 28 1HD LYS 28 0.960 18.216 -4.176 248 HE2 LYS 28 2HE LYS 28 2.278 20.058 -3.878 249 HE3 LYS 28 1HE LYS 28 3.710 19.276 -4.548 250 HZ1 LYS 28 3HZ LYS 28 3.179 19.895 -6.634 251 HZ2 LYS 28 1HZ LYS 28 2.314 21.117 -5.847 252 HZ3 LYS 28 2HZ LYS 28 1.512 19.733 -6.397 253 H TYR 29 H TYR 29 5.750 14.845 -3.617 254 HA TYR 29 HA TYR 29 6.684 13.062 -5.700 255 HB2 TYR 29 2HB TYR 29 8.377 14.313 -3.543 256 HB3 TYR 29 1HB TYR 29 8.873 13.778 -5.144 257 HD1 TYR 29 2HD TYR 29 8.350 15.137 -7.124 258 HD2 TYR 29 1HD TYR 29 7.362 16.467 -3.207 259 HE1 TYR 29 2HE TYR 29 8.032 17.418 -7.986 260 HE2 TYR 29 1HE TYR 29 7.040 18.752 -4.057 261 HH TYR 29 HH TYR 29 7.682 20.132 -5.917 262 H VAL 30 H VAL 30 5.312 11.332 -4.548 263 HA VAL 30 HA VAL 30 6.998 9.965 -2.553 264 HB VAL 30 HB VAL 30 4.850 10.642 -1.594 265 HG11 VAL 30 1HG1 VAL 30 3.791 10.163 -4.054 266 HG12 VAL 30 2HG1 VAL 30 2.851 10.368 -2.576 267 HG13 VAL 30 3HG1 VAL 30 3.244 8.749 -3.154 268 HG21 VAL 30 3HG2 VAL 30 4.056 8.330 -0.922 269 HG22 VAL 30 1HG2 VAL 30 5.761 8.684 -0.643 270 HG23 VAL 30 2HG2 VAL 30 5.280 7.696 -2.023 271 H ASP 31 H ASP 31 8.111 8.436 -3.586 272 HA ASP 31 HA ASP 31 6.965 7.036 -5.856 273 HB2 ASP 31 2HB ASP 31 9.556 7.769 -5.125 274 HB3 ASP 31 1HB ASP 31 9.527 6.017 -4.938 275 H THR 32 H THR 32 8.076 4.539 -5.656 276 HA THR 32 HA THR 32 6.192 3.159 -4.096 277 HB THR 32 HB THR 32 7.831 1.182 -4.537 278 HG1 THR 32 1HG THR 32 9.373 1.586 -6.068 279 HG21 THR 32 3HG2 THR 32 5.804 2.219 -6.031 280 HG22 THR 32 1HG2 THR 32 6.668 0.722 -6.377 281 HG23 THR 32 2HG2 THR 32 7.148 2.222 -7.172 282 H GLY 33 H GLY 33 9.706 3.545 -3.611 283 HA2 GLY 33 2HA GLY 33 9.757 2.239 -1.100 284 HA3 GLY 33 1HA GLY 33 11.005 3.303 -1.731 285 H ILE 34 H ILE 34 9.213 5.582 -2.023 286 HA ILE 34 HA ILE 34 9.490 6.648 0.610 287 HB ILE 34 HB ILE 34 7.960 7.873 -1.682 288 HG12 ILE 34 2HG1 ILE 34 10.909 8.072 -1.029 289 HG13 ILE 34 1HG1 ILE 34 10.213 7.259 -2.428 290 HG21 ILE 34 1HG2 ILE 34 8.048 8.708 0.867 291 HG22 ILE 34 2HG2 ILE 34 7.918 9.803 -0.509 292 HG23 ILE 34 3HG2 ILE 34 9.488 9.509 0.239 293 HD11 ILE 34 3HD1 ILE 34 9.190 9.833 -2.542 294 HD12 ILE 34 1HD1 ILE 34 10.488 9.160 -3.527 295 HD13 ILE 34 2HD1 ILE 34 10.870 10.037 -2.046 296 H LEU 35 H LEU 35 6.701 5.763 -1.407 297 HA LEU 35 HA LEU 35 4.693 6.548 0.376 298 HB2 LEU 35 2HB LEU 35 4.225 6.001 -1.945 299 HB3 LEU 35 1HB LEU 35 4.694 4.332 -1.674 300 HG LEU 35 HG LEU 35 2.782 4.061 -0.131 301 HD11 LEU 35 1HD1 LEU 35 1.021 6.005 -0.547 302 HD12 LEU 35 2HD1 LEU 35 2.499 6.956 -0.691 303 HD13 LEU 35 3HD1 LEU 35 2.175 6.046 0.785 304 HD21 LEU 35 3HD2 LEU 35 2.627 3.537 -2.560 305 HD22 LEU 35 1HD2 LEU 35 1.932 5.137 -2.813 306 HD23 LEU 35 2HD2 LEU 35 1.084 3.957 -1.816 307 H ALA 36 H ALA 36 6.415 3.472 0.044 308 HA ALA 36 HA ALA 36 4.943 1.985 1.897 309 HB1 ALA 36 1HB ALA 36 7.897 1.658 1.438 310 HB2 ALA 36 2HB ALA 36 6.686 1.146 0.262 311 HB3 ALA 36 3HB ALA 36 6.713 0.424 1.871 312 H SER 37 H SER 37 7.753 4.089 2.341 313 HA SER 37 HA SER 37 8.134 3.532 5.086 314 HB2 SER 37 2HB SER 37 8.873 6.048 3.572 315 HB3 SER 37 1HB SER 37 9.558 5.511 5.106 316 HG SER 37 HG SER 37 10.434 4.937 2.721 317 H ASP 38 H ASP 38 6.268 5.993 3.370 318 HA ASP 38 HA ASP 38 5.490 7.440 5.685 319 HB2 ASP 38 2HB ASP 38 5.400 8.075 3.130 320 HB3 ASP 38 1HB ASP 38 3.785 7.378 3.226 321 H LEU 39 H LEU 39 3.845 4.969 3.728 322 HA LEU 39 HA LEU 39 1.450 4.895 5.166 323 HB2 LEU 39 2HB LEU 39 2.407 3.640 2.954 324 HB3 LEU 39 1HB LEU 39 2.416 2.319 4.107 325 HG LEU 39 HG LEU 39 0.021 2.675 4.536 326 HD11 LEU 39 1HD1 LEU 39 -0.979 4.177 2.535 327 HD12 LEU 39 2HD1 LEU 39 0.518 5.048 2.867 328 HD13 LEU 39 3HD1 LEU 39 -0.655 4.788 4.157 329 HD21 LEU 39 3HD2 LEU 39 0.583 1.048 2.881 330 HD22 LEU 39 1HD2 LEU 39 0.832 2.296 1.659 331 HD23 LEU 39 2HD2 LEU 39 -0.789 1.977 2.276 332 H GLN 40 H GLN 40 4.545 3.358 5.759 333 HA GLN 40 HA GLN 40 3.597 1.617 7.818 334 HB2 GLN 40 2HB GLN 40 5.924 1.831 6.342 335 HB3 GLN 40 1HB GLN 40 6.432 2.317 7.953 336 HG2 GLN 40 2HG GLN 40 5.561 0.235 8.867 337 HG3 GLN 40 1HG GLN 40 5.020 -0.250 7.261 338 HE21 GLN 40 1HE2 GLN 40 7.070 0.339 5.659 339 HE22 GLN 40 2HE2 GLN 40 8.486 -0.540 6.108 340 H ARG 41 H ARG 41 5.049 4.825 7.726 341 HA ARG 41 HA ARG 41 5.514 5.109 10.487 342 HB2 ARG 41 2HB ARG 41 6.129 6.600 8.336 343 HB3 ARG 41 1HB ARG 41 4.752 7.517 8.930 344 HG2 ARG 41 2HG ARG 41 6.520 8.547 9.982 345 HG3 ARG 41 1HG ARG 41 5.974 7.405 11.211 346 HD2 ARG 41 2HD ARG 41 7.734 5.886 10.690 347 HD3 ARG 41 1HD ARG 41 8.184 6.807 9.255 348 HE ARG 41 HE ARG 41 9.039 7.285 11.923 349 HH11 ARG 41 1HH1 ARG 41 8.211 8.910 8.947 350 HH12 ARG 41 2HH1 ARG 41 9.212 10.285 9.273 351 HH21 ARG 41 1HH2 ARG 41 10.357 9.091 12.353 352 HH22 ARG 41 2HH2 ARG 41 10.432 10.387 11.206 353 H LEU 42 H LEU 42 2.754 6.088 8.473 354 HA LEU 42 HA LEU 42 1.249 7.169 10.618 355 HB2 LEU 42 2HB LEU 42 -0.689 6.906 8.990 356 HB3 LEU 42 1HB LEU 42 0.641 7.937 8.496 357 HG LEU 42 HG LEU 42 1.403 5.558 7.406 358 HD11 LEU 42 1HD1 LEU 42 -1.468 5.417 7.908 359 HD12 LEU 42 2HD1 LEU 42 -0.320 4.145 7.489 360 HD13 LEU 42 3HD1 LEU 42 -1.023 5.148 6.222 361 HD21 LEU 42 3HD2 LEU 42 -0.130 7.900 6.365 362 HD22 LEU 42 1HD2 LEU 42 0.225 6.537 5.304 363 HD23 LEU 42 2HD2 LEU 42 1.542 7.430 6.065 364 H TYR 43 H TYR 43 1.530 3.966 9.234 365 HA TYR 43 HA TYR 43 -0.355 2.980 11.274 366 HB2 TYR 43 2HB TYR 43 0.108 2.091 8.441 367 HB3 TYR 43 1HB TYR 43 -0.547 0.974 9.632 368 HD1 TYR 43 1HD TYR 43 -2.296 2.804 11.190 369 HD2 TYR 43 2HD TYR 43 -1.683 2.466 6.994 370 HE1 TYR 43 1HE TYR 43 -4.551 3.702 10.795 371 HE2 TYR 43 2HE TYR 43 -3.936 3.364 6.587 372 HH TYR 43 HH TYR 43 -6.296 3.483 8.795 373 H SER 44 H SER 44 2.211 3.366 12.042 374 HA SER 44 HA SER 44 3.943 1.175 11.610 375 HB2 SER 44 2HB SER 44 3.823 3.467 13.499 376 HB3 SER 44 1HB SER 44 4.820 2.092 13.975 377 HG SER 44 HG SER 44 5.860 2.300 11.905 378 H VAL 45 H VAL 45 1.437 1.819 13.991 379 HA VAL 45 HA VAL 45 2.055 -0.461 15.613 380 HB VAL 45 HB VAL 45 -0.124 -0.001 16.708 381 HG11 VAL 45 1HG1 VAL 45 1.568 2.466 16.335 382 HG12 VAL 45 2HG1 VAL 45 1.960 1.126 17.412 383 HG13 VAL 45 3HG1 VAL 45 0.520 2.102 17.706 384 HG21 VAL 45 3HG2 VAL 45 -1.470 1.876 16.059 385 HG22 VAL 45 1HG2 VAL 45 -1.263 0.828 14.656 386 HG23 VAL 45 2HG2 VAL 45 -0.326 2.316 14.791 387 H ASP 46 H ASP 46 -0.029 0.187 12.886 388 HA ASP 46 HA ASP 46 -1.357 -2.393 13.135 389 HB2 ASP 46 2HB ASP 46 -1.760 0.046 11.460 390 HB3 ASP 46 1HB ASP 46 -2.376 -1.491 10.863 391 H TYR 47 H TYR 47 0.151 -0.717 10.374 392 HA TYR 47 HA TYR 47 0.722 -3.164 9.029 393 HB2 TYR 47 2HB TYR 47 1.291 -0.274 8.538 394 HB3 TYR 47 1HB TYR 47 2.216 -1.475 7.640 395 HD1 TYR 47 1HD TYR 47 0.252 -3.557 7.101 396 HD2 TYR 47 2HD TYR 47 -0.206 0.672 7.042 397 HE1 TYR 47 1HE TYR 47 -1.599 -3.787 5.499 398 HE2 TYR 47 2HE TYR 47 -2.059 0.454 5.440 399 HH TYR 47 HH TYR 47 -2.706 -2.371 3.749 400 H GLY 48 H GLY 48 2.714 -0.803 10.785 401 HA2 GLY 48 2HA GLY 48 5.216 -1.929 10.326 402 HA3 GLY 48 1HA GLY 48 4.785 -1.006 11.756 403 H ARG 49 H ARG 49 5.746 -3.996 10.593 404 HA ARG 49 HA ARG 49 4.988 -5.295 13.130 405 HB2 ARG 49 2HB ARG 49 5.311 -6.540 10.394 406 HB3 ARG 49 1HB ARG 49 5.087 -7.453 11.879 407 HG2 ARG 49 2HG ARG 49 3.102 -5.360 11.124 408 HG3 ARG 49 1HG ARG 49 3.059 -6.939 10.337 409 HD2 ARG 49 2HD ARG 49 1.618 -7.211 12.137 410 HD3 ARG 49 1HD ARG 49 3.134 -7.886 12.734 411 HE ARG 49 HE ARG 49 3.020 -5.168 13.419 412 HH11 ARG 49 1HH1 ARG 49 1.460 -8.187 14.215 413 HH12 ARG 49 2HH1 ARG 49 1.064 -7.701 15.829 414 HH21 ARG 49 1HH2 ARG 49 2.499 -4.527 15.541 415 HH22 ARG 49 2HH2 ARG 49 1.653 -5.623 16.582 416 H ARG 50 H ARG 50 7.276 -5.971 10.481 417 HA ARG 50 HA ARG 50 9.607 -5.391 11.914 418 HB2 ARG 50 2HB ARG 50 10.418 -7.630 12.467 419 HB3 ARG 50 1HB ARG 50 8.938 -7.261 13.339 420 HG2 ARG 50 2HG ARG 50 8.530 -8.634 10.784 421 HG3 ARG 50 1HG ARG 50 9.417 -9.564 11.991 422 HD2 ARG 50 2HD ARG 50 6.860 -8.150 12.671 423 HD3 ARG 50 1HD ARG 50 6.855 -9.757 11.946 424 HE ARG 50 HE ARG 50 8.526 -9.524 14.279 425 HH11 ARG 50 1HH1 ARG 50 5.306 -10.189 13.105 426 HH12 ARG 50 2HH1 ARG 50 4.849 -11.100 14.505 427 HH21 ARG 50 1HH2 ARG 50 7.924 -10.722 16.121 428 HH22 ARG 50 2HH2 ARG 50 6.334 -11.403 16.217 429 H LYS 51 H LYS 51 8.049 -7.302 9.417 430 HA LYS 51 HA LYS 51 10.491 -7.620 7.904 431 HB2 LYS 51 2HB LYS 51 8.045 -8.950 7.989 432 HB3 LYS 51 1HB LYS 51 8.037 -8.136 6.430 433 HG2 LYS 51 2HG LYS 51 10.140 -10.036 7.448 434 HG3 LYS 51 1HG LYS 51 8.932 -10.363 6.203 435 HD2 LYS 51 2HD LYS 51 10.109 -9.295 4.616 436 HD3 LYS 51 1HD LYS 51 10.559 -7.979 5.700 437 HE2 LYS 51 2HE LYS 51 11.836 -10.707 5.572 438 HE3 LYS 51 1HE LYS 51 12.526 -9.202 4.966 439 HZ1 LYS 51 3HZ LYS 51 13.521 -9.463 7.020 440 HZ2 LYS 51 1HZ LYS 51 12.116 -10.050 7.760 441 HZ3 LYS 51 2HZ LYS 51 12.247 -8.409 7.374 442 H ARG 52 H ARG 52 11.115 -5.456 7.555 443 HA ARG 52 HA ARG 52 9.439 -3.518 6.351 444 HB2 ARG 52 2HB ARG 52 12.456 -3.621 6.262 445 HB3 ARG 52 1HB ARG 52 11.437 -2.201 6.067 446 HG2 ARG 52 2HG ARG 52 10.993 -2.037 8.307 447 HG3 ARG 52 1HG ARG 52 11.251 -3.759 8.595 448 HD2 ARG 52 2HD ARG 52 13.339 -1.641 8.110 449 HD3 ARG 52 1HD ARG 52 13.067 -2.564 9.588 450 HE ARG 52 HE ARG 52 13.601 -4.485 7.771 451 HH11 ARG 52 1HH1 ARG 52 15.252 -1.539 8.654 452 HH12 ARG 52 2HH1 ARG 52 16.822 -2.154 8.259 453 HH21 ARG 52 1HH2 ARG 52 15.664 -5.295 7.252 454 HH22 ARG 52 2HH2 ARG 52 17.056 -4.286 7.463 455 H ASN 53 H ASN 53 11.926 -5.682 5.024 456 HA ASN 53 HA ASN 53 11.874 -4.805 2.387 457 HB2 ASN 53 2HB ASN 53 12.378 -7.582 3.473 458 HB3 ASN 53 1HB ASN 53 12.713 -7.087 1.816 459 HD21 ASN 53 1HD2 ASN 53 13.836 -4.685 2.035 460 HD22 ASN 53 2HD2 ASN 53 15.297 -4.758 2.955 461 H ALA 54 H ALA 54 9.943 -7.371 3.914 462 HA ALA 54 HA ALA 54 8.521 -8.132 1.620 463 HB1 ALA 54 1HB ALA 54 7.803 -8.320 4.535 464 HB2 ALA 54 2HB ALA 54 8.503 -9.575 3.513 465 HB3 ALA 54 3HB ALA 54 6.844 -9.041 3.244 466 H PHE 55 H PHE 55 7.649 -5.871 4.222 467 HA PHE 55 HA PHE 55 5.161 -5.106 3.183 468 HB2 PHE 55 2HB PHE 55 6.006 -4.623 5.500 469 HB3 PHE 55 1HB PHE 55 7.020 -3.361 4.807 470 HD1 PHE 55 1HD PHE 55 3.456 -4.455 4.883 471 HD2 PHE 55 2HD PHE 55 6.208 -1.211 4.734 472 HE1 PHE 55 1HE PHE 55 1.586 -2.865 5.052 473 HE2 PHE 55 2HE PHE 55 4.342 0.384 4.905 474 HZ PHE 55 HZ PHE 55 2.028 -0.443 5.065 475 H ARG 56 H ARG 56 8.415 -3.946 2.543 476 HA ARG 56 HA ARG 56 7.738 -1.631 1.097 477 HB2 ARG 56 2HB ARG 56 10.057 -2.595 1.971 478 HB3 ARG 56 1HB ARG 56 10.149 -3.206 0.325 479 HG2 ARG 56 2HG ARG 56 10.413 -1.145 -0.576 480 HG3 ARG 56 1HG ARG 56 9.423 -0.359 0.654 481 HD2 ARG 56 2HD ARG 56 11.501 -1.177 2.162 482 HD3 ARG 56 1HD ARG 56 12.317 -0.927 0.620 483 HE ARG 56 HE ARG 56 10.634 1.267 1.389 484 HH11 ARG 56 1HH1 ARG 56 13.803 -0.150 1.737 485 HH12 ARG 56 2HH1 ARG 56 14.570 1.353 2.130 486 HH21 ARG 56 1HH2 ARG 56 11.639 3.244 1.906 487 HH22 ARG 56 2HH2 ARG 56 13.340 3.279 2.227 488 H ILE 57 H ILE 57 8.299 -4.972 0.060 489 HA ILE 57 HA ILE 57 8.039 -4.533 -2.705 490 HB ILE 57 HB ILE 57 7.312 -7.054 -1.207 491 HG12 ILE 57 2HG1 ILE 57 9.960 -6.728 -2.519 492 HG13 ILE 57 1HG1 ILE 57 9.714 -5.871 -1.001 493 HG21 ILE 57 1HG2 ILE 57 7.167 -8.114 -3.181 494 HG22 ILE 57 2HG2 ILE 57 8.510 -7.210 -3.880 495 HG23 ILE 57 3HG2 ILE 57 6.899 -6.496 -3.831 496 HD11 ILE 57 3HD1 ILE 57 10.449 -7.782 -0.099 497 HD12 ILE 57 1HD1 ILE 57 10.038 -8.735 -1.525 498 HD13 ILE 57 2HD1 ILE 57 8.790 -8.323 -0.350 499 H GLN 58 H GLN 58 5.668 -5.228 -0.187 500 HA GLN 58 HA GLN 58 3.447 -5.688 -1.832 501 HB2 GLN 58 2HB GLN 58 3.538 -4.470 0.935 502 HB3 GLN 58 1HB GLN 58 2.097 -5.103 0.153 503 HG2 GLN 58 2HG GLN 58 2.787 -7.296 0.351 504 HG3 GLN 58 1HG GLN 58 4.485 -6.853 0.522 505 HE21 GLN 58 1HE2 GLN 58 4.973 -7.777 2.422 506 HE22 GLN 58 2HE2 GLN 58 4.200 -7.409 3.923 507 H VAL 59 H VAL 59 4.677 -2.689 -0.385 508 HA VAL 59 HA VAL 59 2.635 -1.025 -1.447 509 HB VAL 59 HB VAL 59 5.422 -0.187 -0.635 510 HG11 VAL 59 1HG1 VAL 59 2.944 1.235 -1.359 511 HG12 VAL 59 2HG1 VAL 59 4.628 1.744 -1.490 512 HG13 VAL 59 3HG1 VAL 59 3.793 1.845 0.061 513 HG21 VAL 59 3HG2 VAL 59 4.898 -0.359 1.542 514 HG22 VAL 59 1HG2 VAL 59 3.679 -1.508 0.989 515 HG23 VAL 59 2HG2 VAL 59 3.237 0.173 1.287 516 H GLU 60 H GLU 60 5.782 -2.075 -2.598 517 HA GLU 60 HA GLU 60 6.048 -0.265 -4.740 518 HB2 GLU 60 2HB GLU 60 7.148 -3.046 -4.321 519 HB3 GLU 60 1HB GLU 60 7.588 -2.032 -5.688 520 HG2 GLU 60 2HG GLU 60 7.948 -0.456 -3.394 521 HG3 GLU 60 1HG GLU 60 8.627 -2.041 -3.023 522 H LYS 61 H LYS 61 4.740 -3.568 -4.612 523 HA LYS 61 HA LYS 61 3.986 -3.614 -7.358 524 HB2 LYS 61 2HB LYS 61 3.676 -5.370 -5.008 525 HB3 LYS 61 1HB LYS 61 2.401 -5.509 -6.211 526 HG2 LYS 61 2HG LYS 61 4.069 -7.137 -6.700 527 HG3 LYS 61 1HG LYS 61 4.155 -5.880 -7.936 528 HD2 LYS 61 2HD LYS 61 6.211 -5.202 -7.288 529 HD3 LYS 61 1HD LYS 61 5.871 -5.467 -5.576 530 HE2 LYS 61 2HE LYS 61 7.603 -6.989 -6.380 531 HE3 LYS 61 1HE LYS 61 6.159 -7.870 -5.882 532 HZ1 LYS 61 3HZ LYS 61 6.993 -7.245 -8.662 533 HZ2 LYS 61 1HZ LYS 61 5.506 -7.941 -8.252 534 HZ3 LYS 61 2HZ LYS 61 6.945 -8.770 -7.932 535 H VAL 62 H VAL 62 2.357 -2.777 -4.357 536 HA VAL 62 HA VAL 62 -0.249 -2.567 -5.466 537 HB VAL 62 HB VAL 62 1.002 -1.591 -2.916 538 HG11 VAL 62 1HG1 VAL 62 -1.513 -1.000 -2.379 539 HG12 VAL 62 2HG1 VAL 62 -1.576 -0.710 -4.118 540 HG13 VAL 62 3HG1 VAL 62 -0.432 0.184 -3.116 541 HG21 VAL 62 3HG2 VAL 62 0.336 -3.618 -2.282 542 HG22 VAL 62 1HG2 VAL 62 -0.546 -3.866 -3.790 543 HG23 VAL 62 2HG2 VAL 62 -1.325 -3.047 -2.435 544 H PHE 63 H PHE 63 2.466 -0.376 -5.199 545 HA PHE 63 HA PHE 63 1.016 1.997 -5.806 546 HB2 PHE 63 2HB PHE 63 3.249 1.956 -4.689 547 HB3 PHE 63 1HB PHE 63 3.963 1.458 -6.220 548 HD1 PHE 63 2HD PHE 63 2.011 4.178 -4.621 549 HD2 PHE 63 1HD PHE 63 4.609 3.044 -7.795 550 HE1 PHE 63 2HE PHE 63 2.238 6.540 -5.274 551 HE2 PHE 63 1HE PHE 63 4.842 5.403 -8.453 552 HZ PHE 63 HZ PHE 63 3.654 7.154 -7.193 553 H SER 64 H SER 64 2.788 -0.370 -7.723 554 HA SER 64 HA SER 64 2.527 1.065 -10.184 555 HB2 SER 64 2HB SER 64 3.128 -1.342 -11.084 556 HB3 SER 64 1HB SER 64 4.341 -0.362 -10.261 557 HG SER 64 HG SER 64 2.701 -2.244 -8.921 558 H ILE 65 H ILE 65 0.685 -1.421 -8.532 559 HA ILE 65 HA ILE 65 -0.968 -2.046 -10.784 560 HB ILE 65 HB ILE 65 -0.482 -3.584 -8.836 561 HG12 ILE 65 2HG1 ILE 65 -3.423 -3.217 -9.417 562 HG13 ILE 65 1HG1 ILE 65 -2.290 -3.884 -10.588 563 HG21 ILE 65 1HG2 ILE 65 -2.711 -2.096 -7.473 564 HG22 ILE 65 2HG2 ILE 65 -1.006 -1.847 -7.105 565 HG23 ILE 65 3HG2 ILE 65 -1.741 -3.425 -6.835 566 HD11 ILE 65 3HD1 ILE 65 -3.640 -5.179 -8.428 567 HD12 ILE 65 1HD1 ILE 65 -1.895 -5.330 -8.224 568 HD13 ILE 65 2HD1 ILE 65 -2.660 -5.878 -9.716 569 H ILE 66 H ILE 66 -1.363 -0.024 -7.896 570 HA ILE 66 HA ILE 66 -4.052 0.634 -8.217 571 HB ILE 66 HB ILE 66 -3.562 2.691 -6.937 572 HG12 ILE 66 2HG1 ILE 66 -0.689 1.772 -7.179 573 HG13 ILE 66 1HG1 ILE 66 -1.376 3.213 -7.920 574 HG21 ILE 66 1HG2 ILE 66 -2.269 1.325 -5.038 575 HG22 ILE 66 2HG2 ILE 66 -2.722 -0.014 -6.094 576 HG23 ILE 66 3HG2 ILE 66 -3.966 1.048 -5.434 577 HD11 ILE 66 3HD1 ILE 66 -1.952 3.909 -5.517 578 HD12 ILE 66 1HD1 ILE 66 -0.278 4.026 -6.056 579 HD13 ILE 66 2HD1 ILE 66 -0.785 2.675 -5.043 580 H SER 67 H SER 67 -1.191 1.951 -9.772 581 HA SER 67 HA SER 67 -2.466 4.209 -10.926 582 HB2 SER 67 2HB SER 67 -0.365 3.778 -12.585 583 HB3 SER 67 1HB SER 67 -0.226 4.578 -11.020 584 HG SER 67 HG SER 67 0.111 1.792 -11.445 585 H SER 68 H SER 68 -1.530 1.054 -12.290 586 HA SER 68 HA SER 68 -2.801 1.565 -14.796 587 HB2 SER 68 2HB SER 68 -0.991 -0.329 -13.784 588 HB3 SER 68 1HB SER 68 -2.411 -1.252 -14.273 589 HG SER 68 HG SER 68 -2.240 0.037 -16.294 590 H GLU 69 H GLU 69 -3.598 -0.534 -12.035 591 HA GLU 69 HA GLU 69 -5.973 -1.587 -13.037 592 HB2 GLU 69 2HB GLU 69 -4.584 -2.139 -10.880 593 HB3 GLU 69 1HB GLU 69 -5.691 -1.006 -10.118 594 HG2 GLU 69 2HG GLU 69 -7.573 -2.343 -10.679 595 HG3 GLU 69 1HG GLU 69 -6.597 -3.386 -11.712 596 H LYS 70 H LYS 70 -5.502 1.270 -10.959 597 HA LYS 70 HA LYS 70 -8.314 1.943 -11.159 598 HB2 LYS 70 2HB LYS 70 -6.179 3.670 -9.930 599 HB3 LYS 70 1HB LYS 70 -7.897 3.629 -9.560 600 HG2 LYS 70 2HG LYS 70 -5.926 1.434 -8.954 601 HG3 LYS 70 1HG LYS 70 -6.554 2.607 -7.794 602 HD2 LYS 70 2HD LYS 70 -8.661 1.237 -9.266 603 HD3 LYS 70 1HD LYS 70 -7.634 0.128 -8.355 604 HE2 LYS 70 2HE LYS 70 -8.130 1.171 -6.314 605 HE3 LYS 70 1HE LYS 70 -8.765 2.612 -7.107 606 HZ1 LYS 70 3HZ LYS 70 -10.765 1.660 -7.428 607 HZ2 LYS 70 1HZ LYS 70 -10.304 0.686 -6.125 608 HZ3 LYS 70 2HZ LYS 70 -10.131 0.118 -7.708 609 H GLU 71 H GLU 71 -5.250 3.572 -11.994 610 HA GLU 71 HA GLU 71 -4.729 5.078 -13.619 611 HB2 GLU 71 2HB GLU 71 -6.399 3.239 -14.842 612 HB3 GLU 71 1HB GLU 71 -7.134 4.783 -15.249 613 HG2 GLU 71 2HG GLU 71 -4.491 5.265 -15.729 614 HG3 GLU 71 1HG GLU 71 -4.656 3.572 -16.194 615 H LEU 72 H LEU 72 -5.952 6.084 -11.377 616 HA LEU 72 HA LEU 72 -6.905 7.989 -10.577 617 HB2 LEU 72 2HB LEU 72 -7.040 8.896 -13.450 618 HB3 LEU 72 1HB LEU 72 -7.077 9.908 -12.019 619 HG LEU 72 HG LEU 72 -4.698 8.216 -12.772 620 HD11 LEU 72 1HD1 LEU 72 -3.735 10.012 -13.887 621 HD12 LEU 72 2HD1 LEU 72 -4.882 11.172 -13.217 622 HD13 LEU 72 3HD1 LEU 72 -5.404 10.030 -14.456 623 HD21 LEU 72 3HD2 LEU 72 -5.276 9.313 -10.387 624 HD22 LEU 72 1HD2 LEU 72 -4.463 10.674 -11.159 625 HD23 LEU 72 2HD2 LEU 72 -3.634 9.126 -11.001 626 H LYS 73 H LYS 73 -8.912 8.285 -9.858 627 HA LYS 73 HA LYS 73 -11.114 7.089 -11.324 628 HB2 LYS 73 2HB LYS 73 -10.517 7.688 -8.557 629 HB3 LYS 73 1HB LYS 73 -12.110 8.290 -8.993 630 HG2 LYS 73 2HG LYS 73 -11.214 5.475 -9.542 631 HG3 LYS 73 1HG LYS 73 -12.038 5.962 -8.059 632 HD2 LYS 73 2HD LYS 73 -13.165 6.465 -10.805 633 HD3 LYS 73 1HD LYS 73 -13.507 5.003 -9.879 634 HE2 LYS 73 2HE LYS 73 -14.472 6.324 -8.092 635 HE3 LYS 73 1HE LYS 73 -14.049 7.815 -8.932 636 HZ1 LYS 73 3HZ LYS 73 -15.840 5.770 -10.112 637 HZ2 LYS 73 1HZ LYS 73 -15.610 7.369 -10.617 638 HZ3 LYS 73 2HZ LYS 73 -16.415 7.048 -9.164 639 H ASN 74 H ASN 74 -11.265 8.576 -13.064 640 HA ASN 74 HA ASN 74 -11.873 11.349 -12.506 641 HB2 ASN 74 2HB ASN 74 -11.747 9.753 -15.068 642 HB3 ASN 74 1HB ASN 74 -12.187 11.457 -15.015 643 HD21 ASN 74 1HD2 ASN 74 -9.651 9.172 -14.929 644 HD22 ASN 74 2HD2 ASN 74 -8.341 10.290 -14.802 Start of MODEL 5 1 H MET 1 H MET 1 -23.645 -15.142 6.747 2 HA MET 1 HA MET 1 -23.448 -13.425 8.255 3 HB2 MET 1 2HB MET 1 -24.787 -15.257 9.935 4 HB3 MET 1 1HB MET 1 -23.265 -14.885 10.733 5 HG2 MET 1 2HG MET 1 -24.805 -12.605 9.656 6 HG3 MET 1 1HG MET 1 -25.472 -13.435 11.060 7 HE1 MET 1 2HE MET 1 -24.002 -10.455 12.936 8 HE2 MET 1 3HE MET 1 -25.146 -11.782 13.139 9 HE3 MET 1 1HE MET 1 -25.223 -10.764 11.701 10 H LYS 2 H LYS 2 -21.385 -12.865 8.075 11 HA LYS 2 HA LYS 2 -19.318 -14.852 8.748 12 HB2 LYS 2 2HB LYS 2 -17.839 -13.562 7.225 13 HB3 LYS 2 1HB LYS 2 -19.235 -14.258 6.412 14 HG2 LYS 2 2HG LYS 2 -19.999 -11.685 7.255 15 HG3 LYS 2 1HG LYS 2 -18.392 -11.532 6.542 16 HD2 LYS 2 2HD LYS 2 -19.545 -11.396 4.608 17 HD3 LYS 2 1HD LYS 2 -19.580 -13.155 4.737 18 HE2 LYS 2 2HE LYS 2 -21.742 -12.766 6.109 19 HE3 LYS 2 1HE LYS 2 -21.731 -11.168 5.363 20 HZ1 LYS 2 3HZ LYS 2 -23.037 -12.954 4.184 21 HZ2 LYS 2 1HZ LYS 2 -21.555 -13.656 3.769 22 HZ3 LYS 2 2HZ LYS 2 -21.932 -12.097 3.233 23 HA PRO 3 HA PRO 3 -17.809 -12.293 12.001 24 HB2 PRO 3 2HB PRO 3 -15.120 -12.720 11.825 25 HB3 PRO 3 1HB PRO 3 -16.252 -13.909 12.479 26 HG2 PRO 3 2HG PRO 3 -15.044 -13.748 9.746 27 HG3 PRO 3 1HG PRO 3 -15.277 -15.166 10.784 28 HD2 PRO 3 2HD PRO 3 -16.935 -14.603 8.733 29 HD3 PRO 3 1HD PRO 3 -17.512 -15.361 10.230 30 H ARG 4 H ARG 4 -15.528 -10.860 12.261 31 HA ARG 4 HA ARG 4 -16.048 -8.464 10.989 32 HB2 ARG 4 2HB ARG 4 -13.883 -7.713 11.779 33 HB3 ARG 4 1HB ARG 4 -14.649 -8.707 13.011 34 HG2 ARG 4 2HG ARG 4 -12.943 -10.231 11.207 35 HG3 ARG 4 1HG ARG 4 -12.081 -8.975 12.097 36 HD2 ARG 4 2HD ARG 4 -12.678 -9.883 14.176 37 HD3 ARG 4 1HD ARG 4 -13.951 -10.879 13.471 38 HE ARG 4 HE ARG 4 -11.710 -11.831 12.300 39 HH11 ARG 4 1HH1 ARG 4 -12.600 -11.262 15.626 40 HH12 ARG 4 2HH1 ARG 4 -11.610 -12.543 16.241 41 HH21 ARG 4 1HH2 ARG 4 -10.407 -13.517 13.107 42 HH22 ARG 4 2HH2 ARG 4 -10.366 -13.823 14.812 43 HA PRO 5 HA PRO 5 -14.557 -8.469 6.854 44 HB2 PRO 5 2HB PRO 5 -12.764 -6.212 7.618 45 HB3 PRO 5 1HB PRO 5 -13.926 -6.327 6.292 46 HG2 PRO 5 2HG PRO 5 -14.493 -4.905 8.467 47 HG3 PRO 5 1HG PRO 5 -15.741 -5.878 7.667 48 HD2 PRO 5 2HD PRO 5 -14.247 -6.413 10.194 49 HD3 PRO 5 1HD PRO 5 -15.929 -6.796 9.771 50 H GLY 6 H GLY 6 -12.756 -9.020 5.555 51 HA2 GLY 6 2HA GLY 6 -10.232 -9.550 6.957 52 HA3 GLY 6 1HA GLY 6 -11.044 -10.888 6.160 53 H VAL 7 H VAL 7 -8.785 -8.449 5.808 54 HA VAL 7 HA VAL 7 -9.052 -7.716 3.115 55 HB VAL 7 HB VAL 7 -6.641 -7.158 3.202 56 HG11 VAL 7 1HG1 VAL 7 -7.974 -5.413 3.944 57 HG12 VAL 7 2HG1 VAL 7 -6.855 -5.641 5.288 58 HG13 VAL 7 3HG1 VAL 7 -8.493 -6.288 5.385 59 HG21 VAL 7 3HG2 VAL 7 -6.792 -8.485 5.905 60 HG22 VAL 7 1HG2 VAL 7 -5.464 -7.449 5.380 61 HG23 VAL 7 2HG2 VAL 7 -5.790 -8.961 4.533 62 H PHE 8 H PHE 8 -7.685 -8.365 1.302 63 HA PHE 8 HA PHE 8 -7.441 -11.271 1.195 64 HB2 PHE 8 2HB PHE 8 -8.610 -9.731 -0.571 65 HB3 PHE 8 1HB PHE 8 -6.970 -9.467 -1.153 66 HD1 PHE 8 1HD PHE 8 -5.608 -11.456 -1.870 67 HD2 PHE 8 2HD PHE 8 -9.789 -11.683 -1.105 68 HE1 PHE 8 1HE PHE 8 -5.727 -13.552 -3.156 69 HE2 PHE 8 2HE PHE 8 -9.915 -13.778 -2.388 70 HZ PHE 8 HZ PHE 8 -7.881 -14.715 -3.415 71 H VAL 9 H VAL 9 -5.526 -11.410 2.485 72 HA VAL 9 HA VAL 9 -3.288 -11.769 2.712 73 HB VAL 9 HB VAL 9 -2.982 -10.921 -0.168 74 HG11 VAL 9 1HG1 VAL 9 -1.137 -12.828 0.239 75 HG12 VAL 9 2HG1 VAL 9 -1.229 -12.150 1.864 76 HG13 VAL 9 3HG1 VAL 9 -0.830 -11.111 0.496 77 HG21 VAL 9 3HG2 VAL 9 -3.236 -13.254 -0.779 78 HG22 VAL 9 1HG2 VAL 9 -4.685 -12.687 0.049 79 HG23 VAL 9 2HG2 VAL 9 -3.515 -13.689 0.908 80 H ASP 10 H ASP 10 -3.403 -9.065 0.384 81 HA ASP 10 HA ASP 10 -2.456 -7.236 2.437 82 HB2 ASP 10 2HB ASP 10 -0.561 -8.480 0.929 83 HB3 ASP 10 1HB ASP 10 -0.879 -7.051 -0.050 84 H ARG 11 H ARG 11 -4.863 -7.570 0.779 85 HA ARG 11 HA ARG 11 -4.959 -5.723 -1.325 86 HB2 ARG 11 2HB ARG 11 -6.685 -7.486 -0.720 87 HB3 ARG 11 1HB ARG 11 -7.262 -6.371 0.511 88 HG2 ARG 11 2HG ARG 11 -7.455 -4.692 -1.452 89 HG3 ARG 11 1HG ARG 11 -7.400 -6.138 -2.462 90 HD2 ARG 11 2HD ARG 11 -9.610 -6.242 -2.149 91 HD3 ARG 11 1HD ARG 11 -9.223 -6.824 -0.531 92 HE ARG 11 HE ARG 11 -9.200 -4.116 -0.279 93 HH11 ARG 11 1HH1 ARG 11 -11.530 -6.428 -1.465 94 HH12 ARG 11 2HH1 ARG 11 -12.899 -5.471 -1.007 95 HH21 ARG 11 1HH2 ARG 11 -10.998 -2.857 0.324 96 HH22 ARG 11 2HH2 ARG 11 -12.598 -3.444 0.009 97 H LYS 12 H LYS 12 -5.168 -5.310 2.133 98 HA LYS 12 HA LYS 12 -6.352 -2.810 2.321 99 HB2 LYS 12 2HB LYS 12 -5.268 -2.597 4.467 100 HB3 LYS 12 1HB LYS 12 -5.776 -4.264 4.240 101 HG2 LYS 12 2HG LYS 12 -3.300 -4.500 3.324 102 HG3 LYS 12 1HG LYS 12 -3.053 -3.115 4.390 103 HD2 LYS 12 2HD LYS 12 -3.774 -4.331 6.288 104 HD3 LYS 12 1HD LYS 12 -4.424 -5.636 5.294 105 HE2 LYS 12 2HE LYS 12 -1.687 -5.354 4.635 106 HE3 LYS 12 1HE LYS 12 -1.806 -5.348 6.394 107 HZ1 LYS 12 3HZ LYS 12 -3.428 -7.367 5.803 108 HZ2 LYS 12 1HZ LYS 12 -1.773 -7.564 6.095 109 HZ3 LYS 12 2HZ LYS 12 -2.348 -7.488 4.507 110 H LEU 13 H LEU 13 -3.023 -3.664 1.572 111 HA LEU 13 HA LEU 13 -1.839 -1.154 1.779 112 HB2 LEU 13 2HB LEU 13 -0.928 -3.589 1.142 113 HB3 LEU 13 1HB LEU 13 -0.998 -2.901 -0.468 114 HG LEU 13 HG LEU 13 1.217 -2.586 0.338 115 HD11 LEU 13 1HD1 LEU 13 -0.308 -0.000 0.615 116 HD12 LEU 13 2HD1 LEU 13 0.303 -0.695 -0.887 117 HD13 LEU 13 3HD1 LEU 13 1.429 -0.147 0.354 118 HD21 LEU 13 3HD2 LEU 13 1.428 -2.709 2.569 119 HD22 LEU 13 1HD2 LEU 13 -0.160 -2.000 2.861 120 HD23 LEU 13 2HD2 LEU 13 1.220 -0.958 2.516 121 H LYS 14 H LYS 14 -3.549 -2.632 -0.946 122 HA LYS 14 HA LYS 14 -3.122 -0.412 -2.699 123 HB2 LYS 14 2HB LYS 14 -3.637 -2.864 -3.318 124 HB3 LYS 14 1HB LYS 14 -5.317 -2.444 -3.010 125 HG2 LYS 14 2HG LYS 14 -4.889 -0.502 -4.660 126 HG3 LYS 14 1HG LYS 14 -3.489 -1.455 -5.156 127 HD2 LYS 14 2HD LYS 14 -5.409 -1.937 -6.574 128 HD3 LYS 14 1HD LYS 14 -4.958 -3.358 -5.629 129 HE2 LYS 14 2HE LYS 14 -6.883 -1.719 -4.225 130 HE3 LYS 14 1HE LYS 14 -7.482 -2.195 -5.813 131 HZ1 LYS 14 3HZ LYS 14 -6.489 -4.505 -4.948 132 HZ2 LYS 14 1HZ LYS 14 -8.094 -4.033 -4.698 133 HZ3 LYS 14 2HZ LYS 14 -6.949 -3.824 -3.470 134 H GLN 15 H GLN 15 -5.877 -1.571 -0.782 135 HA GLN 15 HA GLN 15 -7.693 0.432 -1.546 136 HB2 GLN 15 2HB GLN 15 -8.285 -1.711 -0.412 137 HB3 GLN 15 1HB GLN 15 -7.619 -1.060 1.080 138 HG2 GLN 15 2HG GLN 15 -9.843 -0.623 1.361 139 HG3 GLN 15 1HG GLN 15 -9.293 0.889 0.643 140 HE21 GLN 15 1HE2 GLN 15 -11.475 1.242 -0.000 141 HE22 GLN 15 2HE2 GLN 15 -12.113 0.461 -1.403 142 H ARG 16 H ARG 16 -5.603 0.201 1.334 143 HA ARG 16 HA ARG 16 -6.379 2.667 2.445 144 HB2 ARG 16 2HB ARG 16 -4.809 0.598 3.278 145 HB3 ARG 16 1HB ARG 16 -3.599 1.832 2.953 146 HG2 ARG 16 2HG ARG 16 -4.019 2.481 5.050 147 HG3 ARG 16 1HG ARG 16 -5.443 3.254 4.350 148 HD2 ARG 16 2HD ARG 16 -6.735 1.193 4.816 149 HD3 ARG 16 1HD ARG 16 -5.313 0.516 5.609 150 HE ARG 16 HE ARG 16 -6.104 3.053 6.686 151 HH11 ARG 16 1HH1 ARG 16 -6.677 -0.387 6.807 152 HH12 ARG 16 2HH1 ARG 16 -7.296 -0.354 8.423 153 HH21 ARG 16 1HH2 ARG 16 -6.919 3.100 8.812 154 HH22 ARG 16 2HH2 ARG 16 -7.435 1.626 9.562 155 H VAL 17 H VAL 17 -3.765 1.798 0.221 156 HA VAL 17 HA VAL 17 -2.523 4.330 0.174 157 HB VAL 17 HB VAL 17 -2.480 1.965 -1.667 158 HG11 VAL 17 1HG1 VAL 17 -2.298 3.562 -3.331 159 HG12 VAL 17 2HG1 VAL 17 -0.613 3.302 -2.882 160 HG13 VAL 17 3HG1 VAL 17 -1.478 4.716 -2.280 161 HG21 VAL 17 3HG2 VAL 17 -0.039 3.243 -0.601 162 HG22 VAL 17 1HG2 VAL 17 -0.454 1.535 -0.756 163 HG23 VAL 17 2HG2 VAL 17 -1.115 2.485 0.575 164 H ILE 18 H ILE 18 -4.854 2.852 -2.101 165 HA ILE 18 HA ILE 18 -5.091 5.015 -3.830 166 HB ILE 18 HB ILE 18 -7.250 4.113 -4.513 167 HG12 ILE 18 2HG1 ILE 18 -6.989 2.148 -2.232 168 HG13 ILE 18 1HG1 ILE 18 -8.026 3.570 -2.176 169 HG21 ILE 18 1HG2 ILE 18 -4.860 2.428 -4.179 170 HG22 ILE 18 2HG2 ILE 18 -5.749 2.868 -5.637 171 HG23 ILE 18 3HG2 ILE 18 -6.345 1.575 -4.597 172 HD11 ILE 18 3HD1 ILE 18 -8.938 2.512 -4.428 173 HD12 ILE 18 1HD1 ILE 18 -9.548 2.036 -2.843 174 HD13 ILE 18 2HD1 ILE 18 -8.348 1.036 -3.663 175 H GLN 19 H GLN 19 -6.638 4.429 -0.735 176 HA GLN 19 HA GLN 19 -8.508 6.574 -0.938 177 HB2 GLN 19 2HB GLN 19 -7.511 4.865 1.323 178 HB3 GLN 19 1HB GLN 19 -8.555 6.246 1.633 179 HG2 GLN 19 2HG GLN 19 -10.094 5.164 -0.145 180 HG3 GLN 19 1HG GLN 19 -9.159 3.707 0.183 181 HE21 GLN 19 1HE2 GLN 19 -11.985 4.882 0.808 182 HE22 GLN 19 2HE2 GLN 19 -12.225 4.413 2.453 183 H TYR 20 H TYR 20 -5.219 6.252 0.208 184 HA TYR 20 HA TYR 20 -5.130 8.780 1.541 185 HB2 TYR 20 2HB TYR 20 -3.170 6.659 0.826 186 HB3 TYR 20 1HB TYR 20 -2.535 8.271 1.137 187 HD1 TYR 20 1HD TYR 20 -4.295 9.215 3.293 188 HD2 TYR 20 2HD TYR 20 -2.546 5.387 2.669 189 HE1 TYR 20 1HE TYR 20 -4.386 8.785 5.713 190 HE2 TYR 20 2HE TYR 20 -2.634 4.947 5.087 191 HH TYR 20 HH TYR 20 -3.326 7.394 7.378 192 H LEU 21 H LEU 21 -4.180 7.616 -1.663 193 HA LEU 21 HA LEU 21 -3.006 10.092 -2.469 194 HB2 LEU 21 2HB LEU 21 -4.071 8.084 -4.417 195 HB3 LEU 21 1HB LEU 21 -2.661 9.115 -4.556 196 HG LEU 21 HG LEU 21 -2.505 7.136 -2.384 197 HD11 LEU 21 1HD1 LEU 21 -3.347 6.310 -5.013 198 HD12 LEU 21 2HD1 LEU 21 -3.134 5.353 -3.549 199 HD13 LEU 21 3HD1 LEU 21 -1.763 5.648 -4.616 200 HD21 LEU 21 3HD2 LEU 21 -0.704 8.079 -4.598 201 HD22 LEU 21 1HD2 LEU 21 -0.264 6.797 -3.467 202 HD23 LEU 21 2HD2 LEU 21 -0.582 8.429 -2.873 203 H SER 22 H SER 22 -6.167 8.579 -2.905 204 HA SER 22 HA SER 22 -7.219 10.516 -4.672 205 HB2 SER 22 2HB SER 22 -8.172 8.221 -4.275 206 HB3 SER 22 1HB SER 22 -8.784 8.807 -2.728 207 HG SER 22 HG SER 22 -9.886 9.054 -5.129 208 H SER 23 H SER 23 -7.532 10.118 -1.151 209 HA SER 23 HA SER 23 -9.094 12.448 -0.763 210 HB2 SER 23 2HB SER 23 -7.535 10.623 1.030 211 HB3 SER 23 1HB SER 23 -8.130 12.155 1.668 212 HG SER 23 HG SER 23 -9.646 10.493 1.985 213 H ASN 24 H ASN 24 -5.617 11.813 -0.521 214 HA ASN 24 HA ASN 24 -5.137 14.688 -0.773 215 HB2 ASN 24 2HB ASN 24 -3.597 13.041 1.230 216 HB3 ASN 24 1HB ASN 24 -3.609 14.793 1.042 217 HD21 ASN 24 1HD2 ASN 24 -5.658 12.042 1.879 218 HD22 ASN 24 2HD2 ASN 24 -6.667 12.903 2.986 219 H ARG 25 H ARG 25 -2.891 15.187 -1.388 220 HA ARG 25 HA ARG 25 -2.008 13.443 -3.460 221 HB2 ARG 25 2HB ARG 25 -1.823 16.029 -3.283 222 HB3 ARG 25 1HB ARG 25 -0.358 15.702 -2.368 223 HG2 ARG 25 2HG ARG 25 0.413 16.011 -4.528 224 HG3 ARG 25 1HG ARG 25 0.327 14.254 -4.377 225 HD2 ARG 25 2HD ARG 25 -2.016 15.769 -5.445 226 HD3 ARG 25 1HD ARG 25 -0.637 15.445 -6.493 227 HE ARG 25 HE ARG 25 -1.200 13.016 -5.441 228 HH11 ARG 25 1HH1 ARG 25 -3.129 15.418 -7.083 229 HH12 ARG 25 2HH1 ARG 25 -4.212 14.256 -7.773 230 HH21 ARG 25 1HH2 ARG 25 -2.625 11.488 -6.348 231 HH22 ARG 25 2HH2 ARG 25 -3.926 12.025 -7.355 232 H CYS 26 H CYS 26 -1.039 14.034 -0.158 233 HA CYS 26 HA CYS 26 0.680 13.233 1.128 234 HB2 CYS 26 2HB CYS 26 0.646 10.835 1.343 235 HB3 CYS 26 1HB CYS 26 -0.996 11.393 1.043 236 HG CYS 26 HG CYS 26 0.326 10.485 -1.515 237 H GLY 27 H GLY 27 1.822 14.454 -1.013 238 HA2 GLY 27 2HA GLY 27 4.188 14.461 -1.474 239 HA3 GLY 27 1HA GLY 27 4.138 12.705 -1.520 240 H LYS 28 H LYS 28 3.933 15.583 -3.324 241 HA LYS 28 HA LYS 28 2.497 14.761 -5.577 242 HB2 LYS 28 2HB LYS 28 4.025 17.008 -4.809 243 HB3 LYS 28 1HB LYS 28 4.687 16.462 -6.344 244 HG2 LYS 28 2HG LYS 28 2.260 16.430 -7.160 245 HG3 LYS 28 1HG LYS 28 1.909 17.394 -5.724 246 HD2 LYS 28 2HD LYS 28 3.644 19.015 -6.465 247 HD3 LYS 28 1HD LYS 28 3.823 18.083 -7.953 248 HE2 LYS 28 2HE LYS 28 1.877 18.840 -8.816 249 HE3 LYS 28 1HE LYS 28 1.069 18.861 -7.251 250 HZ1 LYS 28 3HZ LYS 28 3.176 20.827 -7.626 251 HZ2 LYS 28 1HZ LYS 28 1.671 20.982 -6.868 252 HZ3 LYS 28 2HZ LYS 28 1.781 21.058 -8.554 253 H TYR 29 H TYR 29 5.774 14.102 -4.577 254 HA TYR 29 HA TYR 29 6.135 12.476 -7.009 255 HB2 TYR 29 2HB TYR 29 7.700 14.635 -6.210 256 HB3 TYR 29 1HB TYR 29 8.627 13.227 -5.701 257 HD1 TYR 29 1HD TYR 29 6.767 14.515 -8.675 258 HD2 TYR 29 2HD TYR 29 10.053 12.233 -7.226 259 HE1 TYR 29 1HE TYR 29 7.572 14.220 -10.980 260 HE2 TYR 29 2HE TYR 29 10.868 11.933 -9.527 261 HH TYR 29 HH TYR 29 10.007 11.984 -11.806 262 H VAL 30 H VAL 30 4.973 11.696 -4.452 263 HA VAL 30 HA VAL 30 6.820 10.273 -2.869 264 HB VAL 30 HB VAL 30 4.566 10.838 -2.077 265 HG11 VAL 30 1HG1 VAL 30 3.249 8.599 -3.440 266 HG12 VAL 30 2HG1 VAL 30 3.679 9.952 -4.487 267 HG13 VAL 30 3HG1 VAL 30 2.654 10.219 -3.077 268 HG21 VAL 30 3HG2 VAL 30 4.027 8.218 -1.516 269 HG22 VAL 30 1HG2 VAL 30 5.181 9.228 -0.645 270 HG23 VAL 30 2HG2 VAL 30 5.740 8.162 -1.933 271 H ASP 31 H ASP 31 8.125 8.770 -3.702 272 HA ASP 31 HA ASP 31 7.271 7.053 -5.862 273 HB2 ASP 31 2HB ASP 31 9.706 8.055 -5.099 274 HB3 ASP 31 1HB ASP 31 9.802 6.394 -4.521 275 H THR 32 H THR 32 8.334 4.646 -5.427 276 HA THR 32 HA THR 32 6.445 3.335 -3.833 277 HB THR 32 HB THR 32 7.906 1.329 -4.132 278 HG1 THR 32 1HG THR 32 9.913 1.608 -4.609 279 HG21 THR 32 3HG2 THR 32 7.721 1.134 -6.500 280 HG22 THR 32 1HG2 THR 32 7.629 2.886 -6.688 281 HG23 THR 32 2HG2 THR 32 6.311 2.012 -5.905 282 H GLY 33 H GLY 33 9.923 3.852 -3.221 283 HA2 GLY 33 2HA GLY 33 9.911 2.744 -0.626 284 HA3 GLY 33 1HA GLY 33 11.130 3.835 -1.266 285 H ILE 34 H ILE 34 9.336 6.020 -1.785 286 HA ILE 34 HA ILE 34 9.401 7.273 0.756 287 HB ILE 34 HB ILE 34 7.890 8.194 -1.691 288 HG12 ILE 34 2HG1 ILE 34 10.761 8.701 -0.872 289 HG13 ILE 34 1HG1 ILE 34 10.228 7.747 -2.254 290 HG21 ILE 34 1HG2 ILE 34 8.193 10.428 -0.732 291 HG22 ILE 34 2HG2 ILE 34 8.981 9.714 0.676 292 HG23 ILE 34 3HG2 ILE 34 7.281 9.374 0.350 293 HD11 ILE 34 3HD1 ILE 34 9.056 10.330 -2.432 294 HD12 ILE 34 1HD1 ILE 34 10.217 9.559 -3.513 295 HD13 ILE 34 2HD1 ILE 34 10.786 10.506 -2.137 296 H LEU 35 H LEU 35 6.784 5.914 -1.204 297 HA LEU 35 HA LEU 35 4.679 6.714 0.514 298 HB2 LEU 35 2HB LEU 35 4.266 6.110 -1.801 299 HB3 LEU 35 1HB LEU 35 4.834 4.478 -1.506 300 HG LEU 35 HG LEU 35 2.899 4.329 0.197 301 HD11 LEU 35 1HD1 LEU 35 1.847 6.580 -1.503 302 HD12 LEU 35 2HD1 LEU 35 2.445 6.779 0.144 303 HD13 LEU 35 3HD1 LEU 35 1.030 5.771 -0.166 304 HD21 LEU 35 3HD2 LEU 35 2.560 2.937 -1.565 305 HD22 LEU 35 1HD2 LEU 35 2.814 4.207 -2.761 306 HD23 LEU 35 2HD2 LEU 35 1.277 4.099 -1.902 307 H ALA 36 H ALA 36 6.594 3.750 0.255 308 HA ALA 36 HA ALA 36 5.191 2.194 2.106 309 HB1 ALA 36 1HB ALA 36 8.126 1.868 2.022 310 HB2 ALA 36 2HB ALA 36 7.272 1.721 0.486 311 HB3 ALA 36 3HB ALA 36 6.843 0.673 1.837 312 H SER 37 H SER 37 8.006 4.316 2.590 313 HA SER 37 HA SER 37 8.253 3.870 5.359 314 HB2 SER 37 2HB SER 37 9.281 5.875 3.422 315 HB3 SER 37 1HB SER 37 9.319 6.323 5.127 316 HG SER 37 HG SER 37 11.220 5.279 4.690 317 H ASP 38 H ASP 38 6.371 6.183 3.488 318 HA ASP 38 HA ASP 38 5.524 7.728 5.732 319 HB2 ASP 38 2HB ASP 38 4.646 7.520 2.866 320 HB3 ASP 38 1HB ASP 38 3.701 8.455 4.022 321 H LEU 39 H LEU 39 4.026 5.146 3.811 322 HA LEU 39 HA LEU 39 1.549 5.089 5.104 323 HB2 LEU 39 2HB LEU 39 2.630 3.766 3.013 324 HB3 LEU 39 1HB LEU 39 2.681 2.501 4.226 325 HG LEU 39 HG LEU 39 0.253 2.739 4.570 326 HD11 LEU 39 1HD1 LEU 39 0.563 5.207 3.395 327 HD12 LEU 39 2HD1 LEU 39 -0.970 4.405 3.735 328 HD13 LEU 39 3HD1 LEU 39 -0.234 4.261 2.139 329 HD21 LEU 39 3HD2 LEU 39 -0.310 1.423 2.784 330 HD22 LEU 39 1HD2 LEU 39 1.449 1.318 2.705 331 HD23 LEU 39 2HD2 LEU 39 0.582 2.415 1.630 332 H GLN 40 H GLN 40 4.600 3.497 5.884 333 HA GLN 40 HA GLN 40 3.527 1.963 8.046 334 HB2 GLN 40 2HB GLN 40 5.737 1.668 6.616 335 HB3 GLN 40 1HB GLN 40 6.429 2.646 7.903 336 HG2 GLN 40 2HG GLN 40 5.860 1.033 9.548 337 HG3 GLN 40 1HG GLN 40 4.875 0.124 8.404 338 HE21 GLN 40 1HE2 GLN 40 8.082 1.519 7.949 339 HE22 GLN 40 2HE2 GLN 40 8.889 0.021 7.649 340 H ARG 41 H ARG 41 5.140 5.076 7.746 341 HA ARG 41 HA ARG 41 5.632 5.541 10.471 342 HB2 ARG 41 2HB ARG 41 5.507 7.173 8.012 343 HB3 ARG 41 1HB ARG 41 5.244 8.050 9.513 344 HG2 ARG 41 2HG ARG 41 7.400 6.800 10.286 345 HG3 ARG 41 1HG ARG 41 7.677 6.626 8.552 346 HD2 ARG 41 2HD ARG 41 7.194 9.168 8.468 347 HD3 ARG 41 1HD ARG 41 7.514 9.119 10.201 348 HE ARG 41 HE ARG 41 9.432 8.878 8.073 349 HH11 ARG 41 1HH1 ARG 41 8.764 8.154 11.422 350 HH12 ARG 41 2HH1 ARG 41 10.435 8.042 11.860 351 HH21 ARG 41 1HH2 ARG 41 11.631 8.729 8.649 352 HH22 ARG 41 2HH2 ARG 41 12.062 8.369 10.287 353 H LEU 42 H LEU 42 2.870 6.463 8.431 354 HA LEU 42 HA LEU 42 1.435 7.702 10.553 355 HB2 LEU 42 2HB LEU 42 -0.517 7.503 8.946 356 HB3 LEU 42 1HB LEU 42 0.863 8.435 8.403 357 HG LEU 42 HG LEU 42 1.461 5.963 7.402 358 HD11 LEU 42 1HD1 LEU 42 -1.056 5.781 6.257 359 HD12 LEU 42 2HD1 LEU 42 -1.368 5.984 7.982 360 HD13 LEU 42 3HD1 LEU 42 -0.336 4.668 7.421 361 HD21 LEU 42 3HD2 LEU 42 1.390 7.040 5.428 362 HD22 LEU 42 1HD2 LEU 42 1.082 8.458 6.431 363 HD23 LEU 42 2HD2 LEU 42 -0.263 7.603 5.677 364 H TYR 43 H TYR 43 1.531 4.460 9.221 365 HA TYR 43 HA TYR 43 -0.387 3.613 11.293 366 HB2 TYR 43 2HB TYR 43 0.042 2.652 8.483 367 HB3 TYR 43 1HB TYR 43 -0.627 1.563 9.692 368 HD1 TYR 43 1HD TYR 43 -2.334 3.428 11.242 369 HD2 TYR 43 2HD TYR 43 -1.743 3.068 7.046 370 HE1 TYR 43 1HE TYR 43 -4.572 4.370 10.853 371 HE2 TYR 43 2HE TYR 43 -3.980 4.008 6.644 372 HH TYR 43 HH TYR 43 -5.632 5.365 7.748 373 H SER 44 H SER 44 2.131 3.889 12.144 374 HA SER 44 HA SER 44 3.826 1.662 11.766 375 HB2 SER 44 2HB SER 44 4.714 3.740 12.644 376 HB3 SER 44 1HB SER 44 3.653 3.642 14.050 377 HG SER 44 HG SER 44 5.704 2.896 14.598 378 H VAL 45 H VAL 45 1.141 2.273 13.914 379 HA VAL 45 HA VAL 45 1.656 0.043 15.639 380 HB VAL 45 HB VAL 45 -0.618 0.459 16.515 381 HG11 VAL 45 1HG1 VAL 45 1.452 1.753 17.220 382 HG12 VAL 45 2HG1 VAL 45 -0.107 2.485 17.600 383 HG13 VAL 45 3HG1 VAL 45 0.833 3.075 16.229 384 HG21 VAL 45 3HG2 VAL 45 -1.945 2.309 15.685 385 HG22 VAL 45 1HG2 VAL 45 -1.650 1.152 14.388 386 HG23 VAL 45 2HG2 VAL 45 -0.734 2.658 14.452 387 H ASP 46 H ASP 46 -0.306 0.615 12.776 388 HA ASP 46 HA ASP 46 -1.444 -2.064 12.919 389 HB2 ASP 46 2HB ASP 46 -1.953 0.351 11.213 390 HB3 ASP 46 1HB ASP 46 -2.514 -1.233 10.686 391 H TYR 47 H TYR 47 0.082 -0.179 10.304 392 HA TYR 47 HA TYR 47 0.816 -2.479 8.821 393 HB2 TYR 47 2HB TYR 47 1.583 0.427 8.670 394 HB3 TYR 47 1HB TYR 47 2.334 -0.768 7.619 395 HD1 TYR 47 1HD TYR 47 -1.192 -0.288 8.769 396 HD2 TYR 47 2HD TYR 47 1.499 -0.524 5.481 397 HE1 TYR 47 1HE TYR 47 -3.086 -0.102 7.212 398 HE2 TYR 47 2HE TYR 47 -0.388 -0.336 3.916 399 HH TYR 47 HH TYR 47 -3.556 -0.786 4.792 400 H GLY 48 H GLY 48 2.699 -0.247 10.857 401 HA2 GLY 48 2HA GLY 48 5.173 -1.568 10.533 402 HA3 GLY 48 1HA GLY 48 4.763 -0.468 11.839 403 H ARG 49 H ARG 49 5.101 -3.757 10.866 404 HA ARG 49 HA ARG 49 4.909 -4.585 13.655 405 HB2 ARG 49 2HB ARG 49 3.196 -5.647 11.428 406 HB3 ARG 49 1HB ARG 49 3.617 -6.667 12.796 407 HG2 ARG 49 2HG ARG 49 2.725 -4.253 13.897 408 HG3 ARG 49 1HG ARG 49 1.606 -4.632 12.586 409 HD2 ARG 49 2HD ARG 49 0.600 -5.853 14.204 410 HD3 ARG 49 1HD ARG 49 1.792 -7.054 13.708 411 HE ARG 49 HE ARG 49 2.724 -6.878 15.775 412 HH11 ARG 49 1HH1 ARG 49 0.938 -3.948 15.141 413 HH12 ARG 49 2HH1 ARG 49 1.225 -3.284 16.714 414 HH21 ARG 49 1HH2 ARG 49 3.104 -6.006 17.844 415 HH22 ARG 49 2HH2 ARG 49 2.456 -4.452 18.249 416 H ARG 50 H ARG 50 5.102 -6.255 10.513 417 HA ARG 50 HA ARG 50 7.873 -6.960 11.005 418 HB2 ARG 50 2HB ARG 50 7.506 -9.363 10.817 419 HB3 ARG 50 1HB ARG 50 6.630 -8.715 12.197 420 HG2 ARG 50 2HG ARG 50 4.584 -9.087 11.253 421 HG3 ARG 50 1HG ARG 50 5.198 -8.959 9.604 422 HD2 ARG 50 2HD ARG 50 6.017 -11.131 9.606 423 HD3 ARG 50 1HD ARG 50 6.051 -11.221 11.367 424 HE ARG 50 HE ARG 50 3.858 -11.887 11.346 425 HH11 ARG 50 1HH1 ARG 50 4.690 -10.615 8.205 426 HH12 ARG 50 2HH1 ARG 50 3.210 -11.128 7.466 427 HH21 ARG 50 1HH2 ARG 50 1.911 -12.563 10.378 428 HH22 ARG 50 2HH2 ARG 50 1.632 -12.234 8.700 429 H LYS 51 H LYS 51 8.387 -8.756 9.121 430 HA LYS 51 HA LYS 51 8.774 -9.017 6.897 431 HB2 LYS 51 2HB LYS 51 5.884 -8.325 7.034 432 HB3 LYS 51 1HB LYS 51 6.650 -8.276 5.453 433 HG2 LYS 51 2HG LYS 51 6.476 -10.636 7.311 434 HG3 LYS 51 1HG LYS 51 5.648 -10.425 5.767 435 HD2 LYS 51 2HD LYS 51 7.365 -11.457 4.793 436 HD3 LYS 51 1HD LYS 51 8.360 -10.058 5.202 437 HE2 LYS 51 2HE LYS 51 9.434 -12.056 6.008 438 HE3 LYS 51 1HE LYS 51 8.869 -11.108 7.382 439 HZ1 LYS 51 3HZ LYS 51 6.947 -12.566 7.548 440 HZ2 LYS 51 1HZ LYS 51 8.384 -13.451 7.672 441 HZ3 LYS 51 2HZ LYS 51 7.496 -13.477 6.233 442 H ARG 52 H ARG 52 10.249 -7.112 7.430 443 HA ARG 52 HA ARG 52 9.563 -4.507 6.561 444 HB2 ARG 52 2HB ARG 52 12.167 -5.897 7.127 445 HB3 ARG 52 1HB ARG 52 12.140 -4.265 6.472 446 HG2 ARG 52 2HG ARG 52 12.188 -3.707 8.651 447 HG3 ARG 52 1HG ARG 52 10.444 -3.942 8.519 448 HD2 ARG 52 2HD ARG 52 10.735 -5.325 10.268 449 HD3 ARG 52 1HD ARG 52 11.265 -6.471 9.037 450 HE ARG 52 HE ARG 52 13.529 -5.109 9.708 451 HH11 ARG 52 1HH1 ARG 52 11.147 -6.931 11.495 452 HH12 ARG 52 2HH1 ARG 52 12.268 -7.440 12.713 453 HH21 ARG 52 1HH2 ARG 52 15.004 -5.779 11.309 454 HH22 ARG 52 2HH2 ARG 52 14.457 -6.786 12.608 455 H ASN 53 H ASN 53 11.476 -7.085 5.020 456 HA ASN 53 HA ASN 53 11.892 -5.670 2.601 457 HB2 ASN 53 2HB ASN 53 12.999 -7.882 3.659 458 HB3 ASN 53 1HB ASN 53 11.873 -8.638 2.535 459 HD21 ASN 53 1HD2 ASN 53 14.920 -7.431 2.885 460 HD22 ASN 53 2HD2 ASN 53 15.318 -7.179 1.223 461 H ALA 54 H ALA 54 9.596 -8.230 3.510 462 HA ALA 54 HA ALA 54 8.314 -8.452 1.030 463 HB1 ALA 54 1HB ALA 54 6.379 -9.332 2.431 464 HB2 ALA 54 2HB ALA 54 7.406 -9.036 3.832 465 HB3 ALA 54 3HB ALA 54 7.923 -10.170 2.585 466 H PHE 55 H PHE 55 7.605 -6.391 3.826 467 HA PHE 55 HA PHE 55 5.225 -5.262 2.900 468 HB2 PHE 55 2HB PHE 55 6.008 -4.993 5.205 469 HB3 PHE 55 1HB PHE 55 7.359 -4.012 4.646 470 HD1 PHE 55 2HD PHE 55 3.648 -4.071 4.209 471 HD2 PHE 55 1HD PHE 55 7.140 -1.763 4.982 472 HE1 PHE 55 2HE PHE 55 2.261 -2.050 4.420 473 HE2 PHE 55 1HE PHE 55 5.758 0.262 5.194 474 HZ PHE 55 HZ PHE 55 3.316 0.121 4.913 475 H ARG 56 H ARG 56 8.586 -4.312 2.355 476 HA ARG 56 HA ARG 56 8.075 -1.904 1.000 477 HB2 ARG 56 2HB ARG 56 10.394 -3.828 0.891 478 HB3 ARG 56 1HB ARG 56 10.377 -2.318 -0.008 479 HG2 ARG 56 2HG ARG 56 9.766 -2.108 2.865 480 HG3 ARG 56 1HG ARG 56 11.414 -2.582 2.451 481 HD2 ARG 56 2HD ARG 56 11.896 -0.577 1.486 482 HD3 ARG 56 1HD ARG 56 10.236 -0.311 0.956 483 HE ARG 56 HE ARG 56 10.059 -0.091 3.641 484 HH11 ARG 56 1HH1 ARG 56 12.142 1.394 1.269 485 HH12 ARG 56 2HH1 ARG 56 12.341 2.856 2.174 486 HH21 ARG 56 1HH2 ARG 56 10.318 1.831 4.835 487 HH22 ARG 56 2HH2 ARG 56 11.306 3.105 4.199 488 H ILE 57 H ILE 57 8.469 -5.222 -0.178 489 HA ILE 57 HA ILE 57 8.341 -4.660 -2.924 490 HB ILE 57 HB ILE 57 7.360 -7.169 -1.558 491 HG12 ILE 57 2HG1 ILE 57 10.070 -7.027 -2.764 492 HG13 ILE 57 1HG1 ILE 57 9.844 -6.179 -1.237 493 HG21 ILE 57 1HG2 ILE 57 6.710 -7.572 -3.681 494 HG22 ILE 57 2HG2 ILE 57 8.413 -7.977 -3.899 495 HG23 ILE 57 3HG2 ILE 57 7.819 -6.382 -4.361 496 HD11 ILE 57 3HD1 ILE 57 10.374 -8.889 -1.621 497 HD12 ILE 57 1HD1 ILE 57 8.692 -8.802 -1.097 498 HD13 ILE 57 2HD1 ILE 57 9.961 -8.077 -0.111 499 H GLN 58 H GLN 58 5.796 -5.411 -0.575 500 HA GLN 58 HA GLN 58 3.646 -5.536 -2.365 501 HB2 GLN 58 2HB GLN 58 3.965 -5.127 0.553 502 HB3 GLN 58 1HB GLN 58 2.437 -4.605 -0.142 503 HG2 GLN 58 2HG GLN 58 1.806 -6.714 0.225 504 HG3 GLN 58 1HG GLN 58 2.696 -7.057 -1.258 505 HE21 GLN 58 1HE2 GLN 58 3.025 -6.905 2.251 506 HE22 GLN 58 2HE2 GLN 58 4.233 -8.134 2.372 507 H VAL 59 H VAL 59 4.969 -2.795 -0.537 508 HA VAL 59 HA VAL 59 3.091 -0.889 -1.439 509 HB VAL 59 HB VAL 59 5.937 -0.345 -0.585 510 HG11 VAL 59 1HG1 VAL 59 4.322 1.433 -1.677 511 HG12 VAL 59 2HG1 VAL 59 5.356 1.850 -0.311 512 HG13 VAL 59 3HG1 VAL 59 3.652 1.482 -0.048 513 HG21 VAL 59 3HG2 VAL 59 4.106 -1.687 0.921 514 HG22 VAL 59 1HG2 VAL 59 3.797 -0.016 1.390 515 HG23 VAL 59 2HG2 VAL 59 5.413 -0.696 1.569 516 H GLU 60 H GLU 60 6.123 -2.069 -2.750 517 HA GLU 60 HA GLU 60 6.467 -0.061 -4.719 518 HB2 GLU 60 2HB GLU 60 7.483 -2.901 -4.553 519 HB3 GLU 60 1HB GLU 60 7.967 -1.768 -5.806 520 HG2 GLU 60 2HG GLU 60 8.351 -0.449 -3.357 521 HG3 GLU 60 1HG GLU 60 8.983 -2.083 -3.154 522 H LYS 61 H LYS 61 5.010 -3.295 -4.811 523 HA LYS 61 HA LYS 61 4.261 -3.093 -7.566 524 HB2 LYS 61 2HB LYS 61 3.736 -5.037 -5.353 525 HB3 LYS 61 1HB LYS 61 2.751 -5.111 -6.809 526 HG2 LYS 61 2HG LYS 61 4.643 -6.658 -6.891 527 HG3 LYS 61 1HG LYS 61 4.727 -5.442 -8.167 528 HD2 LYS 61 2HD LYS 61 6.307 -4.144 -6.782 529 HD3 LYS 61 1HD LYS 61 6.264 -5.426 -5.570 530 HE2 LYS 61 2HE LYS 61 8.177 -5.919 -6.793 531 HE3 LYS 61 1HE LYS 61 6.961 -6.976 -7.507 532 HZ1 LYS 61 3HZ LYS 61 8.558 -5.305 -8.889 533 HZ2 LYS 61 1HZ LYS 61 7.143 -4.386 -8.757 534 HZ3 LYS 61 2HZ LYS 61 7.091 -5.925 -9.458 535 H VAL 62 H VAL 62 2.596 -2.680 -4.472 536 HA VAL 62 HA VAL 62 0.004 -2.354 -5.479 537 HB VAL 62 HB VAL 62 1.329 -1.436 -2.946 538 HG11 VAL 62 1HG1 VAL 62 -1.250 -0.533 -4.067 539 HG12 VAL 62 2HG1 VAL 62 -0.174 0.257 -2.914 540 HG13 VAL 62 3HG1 VAL 62 -1.260 -1.021 -2.372 541 HG21 VAL 62 3HG2 VAL 62 -0.138 -3.747 -3.841 542 HG22 VAL 62 1HG2 VAL 62 -0.933 -3.003 -2.453 543 HG23 VAL 62 2HG2 VAL 62 0.756 -3.497 -2.340 544 H PHE 63 H PHE 63 2.696 -0.137 -5.230 545 HA PHE 63 HA PHE 63 1.193 2.239 -5.683 546 HB2 PHE 63 2HB PHE 63 3.426 2.266 -4.642 547 HB3 PHE 63 1HB PHE 63 4.134 1.705 -6.153 548 HD1 PHE 63 2HD PHE 63 2.215 4.502 -4.653 549 HD2 PHE 63 1HD PHE 63 4.790 3.224 -7.791 550 HE1 PHE 63 2HE PHE 63 2.463 6.836 -5.394 551 HE2 PHE 63 1HE PHE 63 5.043 5.555 -8.538 552 HZ PHE 63 HZ PHE 63 3.879 7.364 -7.339 553 H SER 64 H SER 64 3.009 0.039 -7.771 554 HA SER 64 HA SER 64 2.567 1.569 -10.145 555 HB2 SER 64 2HB SER 64 3.365 -1.341 -9.944 556 HB3 SER 64 1HB SER 64 3.620 -0.258 -11.312 557 HG SER 64 HG SER 64 5.337 0.502 -10.369 558 H ILE 65 H ILE 65 0.902 -1.057 -8.534 559 HA ILE 65 HA ILE 65 -0.757 -1.711 -10.773 560 HB ILE 65 HB ILE 65 -0.160 -3.273 -8.870 561 HG12 ILE 65 2HG1 ILE 65 -3.128 -3.067 -9.371 562 HG13 ILE 65 1HG1 ILE 65 -1.995 -3.586 -10.615 563 HG21 ILE 65 1HG2 ILE 65 -0.758 -1.607 -7.089 564 HG22 ILE 65 2HG2 ILE 65 -1.401 -3.229 -6.852 565 HG23 ILE 65 3HG2 ILE 65 -2.450 -1.941 -7.445 566 HD11 ILE 65 3HD1 ILE 65 -3.117 -5.443 -9.423 567 HD12 ILE 65 1HD1 ILE 65 -2.305 -4.932 -7.943 568 HD13 ILE 65 2HD1 ILE 65 -1.356 -5.493 -9.320 569 H ILE 66 H ILE 66 -1.251 0.165 -7.789 570 HA ILE 66 HA ILE 66 -3.956 0.706 -8.056 571 HB ILE 66 HB ILE 66 -3.537 2.789 -6.776 572 HG12 ILE 66 2HG1 ILE 66 -0.636 1.985 -7.078 573 HG13 ILE 66 1HG1 ILE 66 -1.392 3.415 -7.772 574 HG21 ILE 66 1HG2 ILE 66 -3.867 1.094 -5.302 575 HG22 ILE 66 2HG2 ILE 66 -2.196 1.481 -4.890 576 HG23 ILE 66 3HG2 ILE 66 -2.549 0.120 -5.955 577 HD11 ILE 66 3HD1 ILE 66 -0.541 2.874 -4.992 578 HD12 ILE 66 1HD1 ILE 66 -1.980 3.865 -5.230 579 HD13 ILE 66 2HD1 ILE 66 -0.444 4.356 -5.946 580 H SER 67 H SER 67 -1.218 2.202 -9.670 581 HA SER 67 HA SER 67 -2.696 4.368 -10.785 582 HB2 SER 67 2HB SER 67 -0.219 3.345 -12.105 583 HB3 SER 67 1HB SER 67 -0.719 5.006 -11.790 584 HG SER 67 HG SER 67 -0.331 4.512 -9.523 585 H SER 68 H SER 68 -1.523 1.286 -12.129 586 HA SER 68 HA SER 68 -2.780 1.703 -14.658 587 HB2 SER 68 2HB SER 68 -1.105 -0.350 -13.405 588 HB3 SER 68 1HB SER 68 -2.295 -1.001 -14.533 589 HG SER 68 HG SER 68 -0.030 0.426 -15.027 590 H GLU 69 H GLU 69 -3.518 -0.456 -11.914 591 HA GLU 69 HA GLU 69 -5.789 -1.639 -13.021 592 HB2 GLU 69 2HB GLU 69 -4.797 -1.259 -10.231 593 HB3 GLU 69 1HB GLU 69 -6.427 -1.866 -10.477 594 HG2 GLU 69 2HG GLU 69 -3.898 -3.106 -11.536 595 HG3 GLU 69 1HG GLU 69 -4.850 -3.683 -10.169 596 H LYS 70 H LYS 70 -5.579 1.181 -10.847 597 HA LYS 70 HA LYS 70 -8.419 1.665 -11.141 598 HB2 LYS 70 2HB LYS 70 -6.378 2.401 -9.266 599 HB3 LYS 70 1HB LYS 70 -7.183 3.854 -9.842 600 HG2 LYS 70 2HG LYS 70 -8.370 3.188 -7.936 601 HG3 LYS 70 1HG LYS 70 -9.365 2.683 -9.303 602 HD2 LYS 70 2HD LYS 70 -9.120 0.495 -8.830 603 HD3 LYS 70 1HD LYS 70 -7.420 0.679 -8.395 604 HE2 LYS 70 2HE LYS 70 -8.206 0.228 -6.324 605 HE3 LYS 70 1HE LYS 70 -8.545 1.957 -6.326 606 HZ1 LYS 70 3HZ LYS 70 -10.799 1.275 -7.273 607 HZ2 LYS 70 1HZ LYS 70 -10.521 0.987 -5.629 608 HZ3 LYS 70 2HZ LYS 70 -10.422 -0.285 -6.740 609 H GLU 71 H GLU 71 -5.443 3.520 -11.805 610 HA GLU 71 HA GLU 71 -4.973 5.135 -13.338 611 HB2 GLU 71 2HB GLU 71 -6.365 3.174 -14.706 612 HB3 GLU 71 1HB GLU 71 -7.226 4.646 -15.133 613 HG2 GLU 71 2HG GLU 71 -4.941 5.620 -15.694 614 HG3 GLU 71 1HG GLU 71 -4.346 3.963 -15.604 615 H LEU 72 H LEU 72 -5.688 7.200 -14.182 616 HA LEU 72 HA LEU 72 -7.783 8.334 -12.516 617 HB2 LEU 72 2HB LEU 72 -5.539 9.421 -14.151 618 HB3 LEU 72 1HB LEU 72 -6.908 10.467 -13.819 619 HG LEU 72 HG LEU 72 -5.042 10.767 -12.223 620 HD11 LEU 72 1HD1 LEU 72 -7.793 10.028 -11.453 621 HD12 LEU 72 2HD1 LEU 72 -6.896 11.522 -11.179 622 HD13 LEU 72 3HD1 LEU 72 -6.612 10.120 -10.147 623 HD21 LEU 72 3HD2 LEU 72 -4.411 8.311 -12.279 624 HD22 LEU 72 1HD2 LEU 72 -5.743 8.046 -11.154 625 HD23 LEU 72 2HD2 LEU 72 -4.398 9.091 -10.696 626 H LYS 73 H LYS 73 -9.577 9.451 -13.290 627 HA LYS 73 HA LYS 73 -11.366 9.824 -14.642 628 HB2 LYS 73 2HB LYS 73 -9.016 10.203 -16.395 629 HB3 LYS 73 1HB LYS 73 -10.547 9.952 -17.222 630 HG2 LYS 73 2HG LYS 73 -10.267 12.284 -16.989 631 HG3 LYS 73 1HG LYS 73 -11.496 11.803 -15.818 632 HD2 LYS 73 2HD LYS 73 -10.272 12.939 -14.326 633 HD3 LYS 73 1HD LYS 73 -9.172 11.559 -14.378 634 HE2 LYS 73 2HE LYS 73 -7.628 13.097 -14.923 635 HE3 LYS 73 1HE LYS 73 -8.336 12.980 -16.534 636 HZ1 LYS 73 3HZ LYS 73 -9.890 14.813 -15.745 637 HZ2 LYS 73 1HZ LYS 73 -8.286 15.248 -16.066 638 HZ3 LYS 73 2HZ LYS 73 -8.802 15.043 -14.469 639 H ASN 74 H ASN 74 -12.560 8.940 -16.650 640 HA ASN 74 HA ASN 74 -12.796 6.131 -16.330 641 HB2 ASN 74 2HB ASN 74 -14.451 6.289 -18.171 642 HB3 ASN 74 1HB ASN 74 -14.734 7.477 -16.903 643 HD21 ASN 74 1HD2 ASN 74 -15.707 9.059 -18.012 644 HD22 ASN 74 2HD2 ASN 74 -15.007 9.900 -19.348 Start of MODEL 6 1 H MET 1 H MET 1 -5.171 -13.924 12.430 2 HA MET 1 HA MET 1 -6.902 -14.271 14.766 3 HB2 MET 1 2HB MET 1 -5.903 -12.114 13.118 4 HB3 MET 1 1HB MET 1 -7.660 -12.143 13.089 5 HG2 MET 1 2HG MET 1 -7.621 -11.030 14.998 6 HG3 MET 1 1HG MET 1 -7.014 -12.498 15.761 7 HE1 MET 1 2HE MET 1 -3.426 -11.839 16.566 8 HE2 MET 1 3HE MET 1 -4.214 -13.035 15.536 9 HE3 MET 1 1HE MET 1 -4.950 -12.569 17.069 10 H LYS 2 H LYS 2 -9.257 -13.624 13.972 11 HA LYS 2 HA LYS 2 -10.043 -15.745 12.167 12 HB2 LYS 2 2HB LYS 2 -11.410 -13.980 14.125 13 HB3 LYS 2 1HB LYS 2 -12.379 -14.575 12.785 14 HG2 LYS 2 2HG LYS 2 -12.729 -16.166 14.421 15 HG3 LYS 2 1HG LYS 2 -11.453 -16.892 13.441 16 HD2 LYS 2 2HD LYS 2 -9.776 -16.186 15.030 17 HD3 LYS 2 1HD LYS 2 -10.990 -15.318 15.972 18 HE2 LYS 2 2HE LYS 2 -11.432 -18.210 15.463 19 HE3 LYS 2 1HE LYS 2 -10.179 -17.763 16.618 20 HZ1 LYS 2 3HZ LYS 2 -13.065 -17.506 16.822 21 HZ2 LYS 2 1HZ LYS 2 -12.167 -16.214 17.445 22 HZ3 LYS 2 2HZ LYS 2 -11.915 -17.782 18.030 23 HA PRO 3 HA PRO 3 -10.507 -13.159 8.610 24 HB2 PRO 3 2HB PRO 3 -12.235 -14.635 7.156 25 HB3 PRO 3 1HB PRO 3 -10.558 -15.133 7.418 26 HG2 PRO 3 2HG PRO 3 -13.046 -16.044 8.815 27 HG3 PRO 3 1HG PRO 3 -11.675 -17.006 8.231 28 HD2 PRO 3 2HD PRO 3 -11.975 -16.271 10.836 29 HD3 PRO 3 1HD PRO 3 -10.390 -16.524 10.075 30 H ARG 4 H ARG 4 -11.804 -11.864 10.484 31 HA ARG 4 HA ARG 4 -14.641 -11.704 9.886 32 HB2 ARG 4 2HB ARG 4 -12.983 -11.060 12.119 33 HB3 ARG 4 1HB ARG 4 -13.821 -9.597 11.619 34 HG2 ARG 4 2HG ARG 4 -15.477 -10.348 12.911 35 HG3 ARG 4 1HG ARG 4 -15.836 -11.425 11.560 36 HD2 ARG 4 2HD ARG 4 -15.269 -13.228 12.742 37 HD3 ARG 4 1HD ARG 4 -13.749 -12.498 13.255 38 HE ARG 4 HE ARG 4 -15.637 -11.276 14.794 39 HH11 ARG 4 1HH1 ARG 4 -14.740 -14.595 14.193 40 HH12 ARG 4 2HH1 ARG 4 -15.219 -15.139 15.766 41 HH21 ARG 4 1HH2 ARG 4 -16.266 -11.991 16.862 42 HH22 ARG 4 2HH2 ARG 4 -16.085 -13.662 17.281 43 HA PRO 5 HA PRO 5 -13.116 -7.234 8.596 44 HB2 PRO 5 2HB PRO 5 -10.286 -7.808 7.951 45 HB3 PRO 5 1HB PRO 5 -10.990 -6.421 8.787 46 HG2 PRO 5 2HG PRO 5 -9.597 -8.276 10.116 47 HG3 PRO 5 1HG PRO 5 -11.023 -7.501 10.833 48 HD2 PRO 5 2HD PRO 5 -10.759 -10.214 9.595 49 HD3 PRO 5 1HD PRO 5 -11.660 -9.717 11.043 50 H GLY 6 H GLY 6 -10.936 -9.605 7.047 51 HA2 GLY 6 2HA GLY 6 -11.673 -10.682 4.965 52 HA3 GLY 6 1HA GLY 6 -12.414 -9.150 4.528 53 H VAL 7 H VAL 7 -9.190 -10.116 5.708 54 HA VAL 7 HA VAL 7 -7.971 -8.316 3.773 55 HB VAL 7 HB VAL 7 -5.846 -8.874 4.911 56 HG11 VAL 7 1HG1 VAL 7 -7.934 -8.132 6.943 57 HG12 VAL 7 2HG1 VAL 7 -7.421 -7.038 5.658 58 HG13 VAL 7 3HG1 VAL 7 -6.256 -7.599 6.857 59 HG21 VAL 7 3HG2 VAL 7 -6.495 -11.176 5.574 60 HG22 VAL 7 1HG2 VAL 7 -7.555 -10.485 6.802 61 HG23 VAL 7 2HG2 VAL 7 -5.812 -10.232 6.897 62 H PHE 8 H PHE 8 -6.124 -9.042 2.481 63 HA PHE 8 HA PHE 8 -5.973 -11.884 1.896 64 HB2 PHE 8 2HB PHE 8 -6.653 -9.907 -0.288 65 HB3 PHE 8 1HB PHE 8 -6.455 -11.647 -0.463 66 HD1 PHE 8 2HD PHE 8 -8.052 -13.093 1.047 67 HD2 PHE 8 1HD PHE 8 -8.774 -9.054 -0.083 68 HE1 PHE 8 2HE PHE 8 -10.456 -13.410 1.465 69 HE2 PHE 8 1HE PHE 8 -11.180 -9.363 0.334 70 HZ PHE 8 HZ PHE 8 -12.024 -11.544 1.108 71 H VAL 9 H VAL 9 -3.838 -11.837 2.533 72 HA VAL 9 HA VAL 9 -1.587 -11.699 2.214 73 HB VAL 9 HB VAL 9 -2.184 -10.348 -0.420 74 HG11 VAL 9 1HG1 VAL 9 0.002 -10.549 -0.928 75 HG12 VAL 9 2HG1 VAL 9 0.166 -12.089 -0.084 76 HG13 VAL 9 3HG1 VAL 9 0.201 -10.577 0.823 77 HG21 VAL 9 3HG2 VAL 9 -1.494 -13.197 -0.437 78 HG22 VAL 9 1HG2 VAL 9 -2.696 -12.314 -1.377 79 HG23 VAL 9 2HG2 VAL 9 -3.069 -12.832 0.266 80 H ASP 10 H ASP 10 -2.780 -8.749 0.601 81 HA ASP 10 HA ASP 10 -2.094 -7.028 2.744 82 HB2 ASP 10 2HB ASP 10 0.157 -7.811 1.558 83 HB3 ASP 10 1HB ASP 10 -0.279 -6.531 0.430 84 H ARG 11 H ARG 11 -4.349 -7.374 1.159 85 HA ARG 11 HA ARG 11 -4.572 -5.618 -1.015 86 HB2 ARG 11 2HB ARG 11 -6.203 -7.456 -0.009 87 HB3 ARG 11 1HB ARG 11 -6.917 -6.052 0.774 88 HG2 ARG 11 2HG ARG 11 -6.966 -5.029 -1.587 89 HG3 ARG 11 1HG ARG 11 -6.725 -6.685 -2.143 90 HD2 ARG 11 2HD ARG 11 -8.721 -7.088 -0.397 91 HD3 ARG 11 1HD ARG 11 -9.079 -5.427 -0.870 92 HE ARG 11 HE ARG 11 -9.884 -6.260 -2.823 93 HH11 ARG 11 1HH1 ARG 11 -7.522 -8.515 -1.591 94 HH12 ARG 11 2HH1 ARG 11 -7.753 -9.652 -2.876 95 HH21 ARG 11 1HH2 ARG 11 -10.189 -7.755 -4.515 96 HH22 ARG 11 2HH2 ARG 11 -9.266 -9.221 -4.536 97 H LYS 12 H LYS 12 -4.731 -5.079 2.432 98 HA LYS 12 HA LYS 12 -6.020 -2.623 2.532 99 HB2 LYS 12 2HB LYS 12 -4.065 -4.044 4.243 100 HB3 LYS 12 1HB LYS 12 -4.207 -2.311 4.504 101 HG2 LYS 12 2HG LYS 12 -5.732 -3.178 6.000 102 HG3 LYS 12 1HG LYS 12 -6.746 -2.770 4.615 103 HD2 LYS 12 2HD LYS 12 -5.624 -5.471 4.513 104 HD3 LYS 12 1HD LYS 12 -6.698 -5.194 5.886 105 HE2 LYS 12 2HE LYS 12 -7.552 -4.283 3.181 106 HE3 LYS 12 1HE LYS 12 -7.635 -6.003 3.563 107 HZ1 LYS 12 3HZ LYS 12 -8.796 -5.006 5.714 108 HZ2 LYS 12 1HZ LYS 12 -9.660 -5.388 4.311 109 HZ3 LYS 12 2HZ LYS 12 -9.207 -3.788 4.616 110 H LEU 13 H LEU 13 -2.697 -3.381 1.674 111 HA LEU 13 HA LEU 13 -1.582 -0.833 1.790 112 HB2 LEU 13 2HB LEU 13 -0.615 -3.241 1.160 113 HB3 LEU 13 1HB LEU 13 -0.804 -2.607 -0.463 114 HG LEU 13 HG LEU 13 1.445 -2.200 0.233 115 HD11 LEU 13 1HD1 LEU 13 1.595 -0.026 -0.409 116 HD12 LEU 13 2HD1 LEU 13 0.320 0.503 0.688 117 HD13 LEU 13 3HD1 LEU 13 -0.096 -0.312 -0.819 118 HD21 LEU 13 3HD2 LEU 13 0.791 -2.317 2.714 119 HD22 LEU 13 1HD2 LEU 13 0.492 -0.585 2.571 120 HD23 LEU 13 2HD2 LEU 13 2.101 -1.232 2.248 121 H LYS 14 H LYS 14 -3.424 -2.397 -0.787 122 HA LYS 14 HA LYS 14 -3.133 -0.228 -2.628 123 HB2 LYS 14 2HB LYS 14 -3.674 -2.712 -3.119 124 HB3 LYS 14 1HB LYS 14 -5.334 -2.271 -2.744 125 HG2 LYS 14 2HG LYS 14 -4.991 -0.400 -4.488 126 HG3 LYS 14 1HG LYS 14 -3.607 -1.363 -5.009 127 HD2 LYS 14 2HD LYS 14 -5.400 -2.061 -6.366 128 HD3 LYS 14 1HD LYS 14 -5.218 -3.325 -5.147 129 HE2 LYS 14 2HE LYS 14 -7.016 -2.172 -3.829 130 HE3 LYS 14 1HE LYS 14 -7.277 -1.128 -5.225 131 HZ1 LYS 14 3HZ LYS 14 -7.464 -4.088 -5.317 132 HZ2 LYS 14 1HZ LYS 14 -7.897 -2.999 -6.537 133 HZ3 LYS 14 2HZ LYS 14 -8.794 -3.066 -5.105 134 H GLN 15 H GLN 15 -5.817 -1.394 -0.599 135 HA GLN 15 HA GLN 15 -7.660 0.596 -1.269 136 HB2 GLN 15 2HB GLN 15 -8.285 -1.449 -0.083 137 HB3 GLN 15 1HB GLN 15 -7.372 -0.927 1.325 138 HG2 GLN 15 2HG GLN 15 -9.120 0.178 2.098 139 HG3 GLN 15 1HG GLN 15 -9.222 1.121 0.611 140 HE21 GLN 15 1HE2 GLN 15 -11.429 0.314 2.158 141 HE22 GLN 15 2HE2 GLN 15 -12.386 -0.766 1.209 142 H ARG 16 H ARG 16 -5.383 0.455 1.467 143 HA ARG 16 HA ARG 16 -6.088 2.937 2.580 144 HB2 ARG 16 2HB ARG 16 -4.471 0.918 3.362 145 HB3 ARG 16 1HB ARG 16 -3.265 2.085 2.836 146 HG2 ARG 16 2HG ARG 16 -3.514 2.558 5.085 147 HG3 ARG 16 1HG ARG 16 -4.555 3.754 4.312 148 HD2 ARG 16 2HD ARG 16 -6.354 2.960 5.355 149 HD3 ARG 16 1HD ARG 16 -6.005 1.315 4.822 150 HE ARG 16 HE ARG 16 -5.442 2.462 7.392 151 HH11 ARG 16 1HH1 ARG 16 -4.508 -0.004 5.107 152 HH12 ARG 16 2HH1 ARG 16 -3.802 -1.029 6.310 153 HH21 ARG 16 1HH2 ARG 16 -4.512 1.116 8.976 154 HH22 ARG 16 2HH2 ARG 16 -3.804 -0.394 8.507 155 H VAL 17 H VAL 17 -3.633 2.053 0.186 156 HA VAL 17 HA VAL 17 -2.459 4.613 -0.014 157 HB VAL 17 HB VAL 17 -2.472 2.199 -1.798 158 HG11 VAL 17 1HG1 VAL 17 -0.653 3.563 -3.091 159 HG12 VAL 17 2HG1 VAL 17 -1.567 4.955 -2.508 160 HG13 VAL 17 3HG1 VAL 17 -2.357 3.736 -3.508 161 HG21 VAL 17 3HG2 VAL 17 -0.207 2.002 -1.183 162 HG22 VAL 17 1HG2 VAL 17 -1.063 2.423 0.301 163 HG23 VAL 17 2HG2 VAL 17 -0.148 3.655 -0.571 164 H ILE 18 H ILE 18 -4.877 3.000 -2.103 165 HA ILE 18 HA ILE 18 -5.269 5.096 -3.884 166 HB ILE 18 HB ILE 18 -7.441 4.125 -4.408 167 HG12 ILE 18 2HG1 ILE 18 -7.005 2.282 -2.054 168 HG13 ILE 18 1HG1 ILE 18 -8.096 3.662 -2.033 169 HG21 ILE 18 1HG2 ILE 18 -4.966 2.839 -4.561 170 HG22 ILE 18 2HG2 ILE 18 -6.397 2.529 -5.543 171 HG23 ILE 18 3HG2 ILE 18 -6.116 1.592 -4.077 172 HD11 ILE 18 3HD1 ILE 18 -8.347 1.065 -3.460 173 HD12 ILE 18 1HD1 ILE 18 -9.133 2.498 -4.123 174 HD13 ILE 18 2HD1 ILE 18 -9.533 1.946 -2.497 175 H GLN 19 H GLN 19 -6.613 4.583 -0.683 176 HA GLN 19 HA GLN 19 -8.546 6.672 -0.842 177 HB2 GLN 19 2HB GLN 19 -7.327 5.195 1.489 178 HB3 GLN 19 1HB GLN 19 -8.566 6.427 1.680 179 HG2 GLN 19 2HG GLN 19 -10.155 5.127 0.480 180 HG3 GLN 19 1HG GLN 19 -8.922 3.968 -0.011 181 HE21 GLN 19 1HE2 GLN 19 -11.486 4.091 1.787 182 HE22 GLN 19 2HE2 GLN 19 -11.025 3.127 3.145 183 H TYR 20 H TYR 20 -5.192 6.472 0.164 184 HA TYR 20 HA TYR 20 -5.119 9.073 1.353 185 HB2 TYR 20 2HB TYR 20 -3.107 6.978 0.673 186 HB3 TYR 20 1HB TYR 20 -2.536 8.618 0.963 187 HD1 TYR 20 1HD TYR 20 -4.339 9.513 3.109 188 HD2 TYR 20 2HD TYR 20 -2.419 5.759 2.535 189 HE1 TYR 20 1HE TYR 20 -4.411 9.113 5.534 190 HE2 TYR 20 2HE TYR 20 -2.487 5.348 4.959 191 HH TYR 20 HH TYR 20 -2.905 7.596 7.194 192 H LEU 21 H LEU 21 -4.270 7.750 -1.816 193 HA LEU 21 HA LEU 21 -3.115 10.161 -2.800 194 HB2 LEU 21 2HB LEU 21 -4.351 8.052 -4.544 195 HB3 LEU 21 1HB LEU 21 -2.993 9.102 -4.896 196 HG LEU 21 HG LEU 21 -2.601 7.240 -2.639 197 HD11 LEU 21 1HD1 LEU 21 -3.459 6.317 -5.267 198 HD12 LEU 21 2HD1 LEU 21 -3.338 5.443 -3.742 199 HD13 LEU 21 3HD1 LEU 21 -1.911 5.649 -4.755 200 HD21 LEU 21 3HD2 LEU 21 -0.407 7.301 -3.288 201 HD22 LEU 21 1HD2 LEU 21 -0.958 8.883 -3.842 202 HD23 LEU 21 2HD2 LEU 21 -0.803 7.550 -4.988 203 H SER 22 H SER 22 -6.301 8.640 -3.219 204 HA SER 22 HA SER 22 -7.392 10.613 -4.894 205 HB2 SER 22 2HB SER 22 -8.278 8.234 -4.240 206 HB3 SER 22 1HB SER 22 -9.100 9.103 -2.944 207 HG SER 22 HG SER 22 -9.555 9.136 -5.678 208 H SER 23 H SER 23 -7.504 10.230 -1.366 209 HA SER 23 HA SER 23 -9.120 12.486 -0.860 210 HB2 SER 23 2HB SER 23 -7.234 10.850 0.814 211 HB3 SER 23 1HB SER 23 -7.970 12.312 1.470 212 HG SER 23 HG SER 23 -9.618 11.082 1.866 213 H ASN 24 H ASN 24 -5.671 12.086 -1.314 214 HA ASN 24 HA ASN 24 -5.309 14.867 -1.806 215 HB2 ASN 24 2HB ASN 24 -3.552 15.107 0.062 216 HB3 ASN 24 1HB ASN 24 -5.249 15.229 0.514 217 HD21 ASN 24 1HD2 ASN 24 -2.662 12.827 0.195 218 HD22 ASN 24 2HD2 ASN 24 -3.101 11.916 1.596 219 H ARG 25 H ARG 25 -3.063 15.389 -2.381 220 HA ARG 25 HA ARG 25 -1.928 13.374 -4.001 221 HB2 ARG 25 2HB ARG 25 -1.734 16.100 -3.880 222 HB3 ARG 25 1HB ARG 25 -0.161 15.609 -3.267 223 HG2 ARG 25 2HG ARG 25 -0.749 14.049 -5.571 224 HG3 ARG 25 1HG ARG 25 -1.046 15.747 -5.949 225 HD2 ARG 25 2HD ARG 25 1.149 16.355 -5.554 226 HD3 ARG 25 1HD ARG 25 1.454 14.962 -4.517 227 HE ARG 25 HE ARG 25 2.024 13.748 -6.372 228 HH11 ARG 25 1HH1 ARG 25 0.357 16.642 -7.384 229 HH12 ARG 25 2HH1 ARG 25 0.692 16.397 -9.065 230 HH21 ARG 25 1HH2 ARG 25 2.466 13.423 -8.583 231 HH22 ARG 25 2HH2 ARG 25 1.887 14.570 -9.747 232 H CYS 26 H CYS 26 -1.124 14.616 -0.806 233 HA CYS 26 HA CYS 26 0.262 13.858 0.829 234 HB2 CYS 26 2HB CYS 26 -1.038 11.683 0.011 235 HB3 CYS 26 1HB CYS 26 0.581 11.204 -0.487 236 HG CYS 26 HG CYS 26 0.040 11.960 2.476 237 H GLY 27 H GLY 27 1.898 15.314 0.025 238 HA2 GLY 27 2HA GLY 27 4.245 15.481 -0.130 239 HA3 GLY 27 1HA GLY 27 4.295 13.852 -0.786 240 H LYS 28 H LYS 28 5.459 14.223 -2.609 241 HA LYS 28 HA LYS 28 4.120 15.794 -4.685 242 HB2 LYS 28 2HB LYS 28 6.359 16.747 -3.378 243 HB3 LYS 28 1HB LYS 28 7.033 16.006 -4.822 244 HG2 LYS 28 2HG LYS 28 6.399 17.723 -6.066 245 HG3 LYS 28 1HG LYS 28 4.730 17.563 -5.517 246 HD2 LYS 28 2HD LYS 28 4.934 19.228 -4.010 247 HD3 LYS 28 1HD LYS 28 6.572 18.751 -3.557 248 HE2 LYS 28 2HE LYS 28 7.136 19.659 -5.966 249 HE3 LYS 28 1HE LYS 28 5.648 20.575 -5.722 250 HZ1 LYS 28 3HZ LYS 28 6.583 21.843 -4.124 251 HZ2 LYS 28 1HZ LYS 28 8.013 21.447 -4.938 252 HZ3 LYS 28 2HZ LYS 28 7.575 20.605 -3.538 253 H TYR 29 H TYR 29 7.212 14.048 -4.401 254 HA TYR 29 HA TYR 29 6.356 12.369 -6.664 255 HB2 TYR 29 2HB TYR 29 8.922 13.689 -6.002 256 HB3 TYR 29 1HB TYR 29 9.047 12.055 -6.645 257 HD1 TYR 29 2HD TYR 29 7.986 11.551 -8.883 258 HD2 TYR 29 1HD TYR 29 8.469 15.517 -7.418 259 HE1 TYR 29 2HE TYR 29 7.704 12.423 -11.165 260 HE2 TYR 29 1HE TYR 29 8.187 16.399 -9.697 261 HH TYR 29 HH TYR 29 7.097 14.445 -12.303 262 H VAL 30 H VAL 30 5.488 11.594 -4.211 263 HA VAL 30 HA VAL 30 7.169 9.942 -2.713 264 HB VAL 30 HB VAL 30 4.948 10.647 -1.935 265 HG11 VAL 30 1HG1 VAL 30 4.037 9.904 -4.381 266 HG12 VAL 30 2HG1 VAL 30 3.011 10.188 -2.976 267 HG13 VAL 30 3HG1 VAL 30 3.504 8.546 -3.391 268 HG21 VAL 30 3HG2 VAL 30 4.585 7.738 -1.884 269 HG22 VAL 30 1HG2 VAL 30 4.786 8.882 -0.557 270 HG23 VAL 30 2HG2 VAL 30 6.198 8.284 -1.427 271 H ASP 31 H ASP 31 8.321 8.292 -3.462 272 HA ASP 31 HA ASP 31 7.393 6.739 -5.730 273 HB2 ASP 31 2HB ASP 31 9.891 7.514 -4.868 274 HB3 ASP 31 1HB ASP 31 9.834 5.819 -4.393 275 H THR 32 H THR 32 8.155 4.247 -5.406 276 HA THR 32 HA THR 32 6.175 3.075 -3.818 277 HB THR 32 HB THR 32 7.396 0.939 -4.243 278 HG1 THR 32 1HG THR 32 9.254 2.591 -5.602 279 HG21 THR 32 3HG2 THR 32 7.143 0.873 -6.607 280 HG22 THR 32 1HG2 THR 32 7.263 2.628 -6.724 281 HG23 THR 32 2HG2 THR 32 5.861 1.889 -5.950 282 H GLY 33 H GLY 33 9.708 3.062 -3.290 283 HA2 GLY 33 2HA GLY 33 9.615 1.888 -0.740 284 HA3 GLY 33 1HA GLY 33 10.944 2.852 -1.366 285 H ILE 34 H ILE 34 9.423 5.260 -1.739 286 HA ILE 34 HA ILE 34 9.695 6.382 0.846 287 HB ILE 34 HB ILE 34 8.244 7.576 -1.517 288 HG12 ILE 34 2HG1 ILE 34 11.169 7.737 -0.758 289 HG13 ILE 34 1HG1 ILE 34 10.510 6.878 -2.146 290 HG21 ILE 34 1HG2 ILE 34 9.494 8.803 0.935 291 HG22 ILE 34 2HG2 ILE 34 7.783 8.782 0.503 292 HG23 ILE 34 3HG2 ILE 34 8.924 9.722 -0.460 293 HD11 ILE 34 3HD1 ILE 34 11.528 9.343 -2.282 294 HD12 ILE 34 1HD1 ILE 34 9.843 9.742 -1.951 295 HD13 ILE 34 2HD1 ILE 34 10.258 8.760 -3.356 296 H LEU 35 H LEU 35 6.906 5.368 -1.069 297 HA LEU 35 HA LEU 35 4.930 6.356 0.705 298 HB2 LEU 35 2HB LEU 35 4.542 5.761 -1.680 299 HB3 LEU 35 1HB LEU 35 4.713 4.070 -1.253 300 HG LEU 35 HG LEU 35 2.754 4.367 0.311 301 HD11 LEU 35 1HD1 LEU 35 1.267 6.334 -0.438 302 HD12 LEU 35 2HD1 LEU 35 2.772 7.051 -1.014 303 HD13 LEU 35 3HD1 LEU 35 2.582 6.649 0.694 304 HD21 LEU 35 3HD2 LEU 35 2.633 4.530 -2.658 305 HD22 LEU 35 1HD2 LEU 35 1.131 4.644 -1.741 306 HD23 LEU 35 2HD2 LEU 35 2.158 3.220 -1.578 307 H ALA 36 H ALA 36 6.583 3.252 0.402 308 HA ALA 36 HA ALA 36 5.049 1.753 2.183 309 HB1 ALA 36 1HB ALA 36 6.781 0.187 2.179 310 HB2 ALA 36 2HB ALA 36 8.020 1.419 1.945 311 HB3 ALA 36 3HB ALA 36 6.934 0.996 0.620 312 H SER 37 H SER 37 7.905 3.771 2.800 313 HA SER 37 HA SER 37 8.034 3.225 5.576 314 HB2 SER 37 2HB SER 37 9.043 5.796 4.401 315 HB3 SER 37 1HB SER 37 9.759 4.790 5.660 316 HG SER 37 HG SER 37 10.541 4.796 3.266 317 H ASP 38 H ASP 38 6.468 5.761 3.682 318 HA ASP 38 HA ASP 38 5.646 7.324 5.904 319 HB2 ASP 38 2HB ASP 38 5.681 7.721 3.213 320 HB3 ASP 38 1HB ASP 38 3.965 7.425 3.479 321 H LEU 39 H LEU 39 3.954 4.913 3.909 322 HA LEU 39 HA LEU 39 1.474 5.053 5.186 323 HB2 LEU 39 2HB LEU 39 2.570 3.588 3.119 324 HB3 LEU 39 1HB LEU 39 2.211 2.363 4.319 325 HG LEU 39 HG LEU 39 -0.129 3.062 4.367 326 HD11 LEU 39 1HD1 LEU 39 -0.880 4.987 3.541 327 HD12 LEU 39 2HD1 LEU 39 -0.055 4.739 2.001 328 HD13 LEU 39 3HD1 LEU 39 0.812 5.455 3.361 329 HD21 LEU 39 3HD2 LEU 39 0.724 2.696 1.505 330 HD22 LEU 39 1HD2 LEU 39 -0.777 2.172 2.269 331 HD23 LEU 39 2HD2 LEU 39 0.747 1.392 2.693 332 H GLN 40 H GLN 40 4.368 3.206 5.976 333 HA GLN 40 HA GLN 40 3.136 1.695 8.066 334 HB2 GLN 40 2HB GLN 40 5.945 2.126 7.127 335 HB3 GLN 40 1HB GLN 40 5.667 1.375 8.692 336 HG2 GLN 40 2HG GLN 40 4.004 -0.092 7.182 337 HG3 GLN 40 1HG GLN 40 5.222 0.325 5.978 338 HE21 GLN 40 1HE2 GLN 40 7.131 -0.702 6.001 339 HE22 GLN 40 2HE2 GLN 40 7.603 -1.878 7.176 340 H ARG 41 H ARG 41 5.016 4.674 7.911 341 HA ARG 41 HA ARG 41 5.434 5.007 10.671 342 HB2 ARG 41 2HB ARG 41 6.289 6.322 8.488 343 HB3 ARG 41 1HB ARG 41 5.030 7.432 9.012 344 HG2 ARG 41 2HG ARG 41 7.137 8.116 9.936 345 HG3 ARG 41 1HG ARG 41 6.091 7.540 11.235 346 HD2 ARG 41 2HD ARG 41 7.481 5.865 11.755 347 HD3 ARG 41 1HD ARG 41 7.737 5.437 10.065 348 HE ARG 41 HE ARG 41 9.104 7.834 10.872 349 HH11 ARG 41 1HH1 ARG 41 9.285 4.352 10.713 350 HH12 ARG 41 2HH1 ARG 41 11.016 4.317 10.735 351 HH21 ARG 41 1HH2 ARG 41 11.381 7.789 10.900 352 HH22 ARG 41 2HH2 ARG 41 12.206 6.266 10.842 353 H LEU 42 H LEU 42 2.873 6.263 8.548 354 HA LEU 42 HA LEU 42 1.476 7.570 10.660 355 HB2 LEU 42 2HB LEU 42 -0.389 7.694 8.973 356 HB3 LEU 42 1HB LEU 42 1.128 8.431 8.496 357 HG LEU 42 HG LEU 42 1.367 5.885 7.477 358 HD11 LEU 42 1HD1 LEU 42 -1.301 6.598 6.484 359 HD12 LEU 42 2HD1 LEU 42 -1.256 5.968 8.130 360 HD13 LEU 42 3HD1 LEU 42 -0.588 5.017 6.803 361 HD21 LEU 42 3HD2 LEU 42 1.540 8.412 6.555 362 HD22 LEU 42 1HD2 LEU 42 0.089 7.867 5.713 363 HD23 LEU 42 2HD2 LEU 42 1.603 6.984 5.522 364 H TYR 43 H TYR 43 1.292 4.389 9.189 365 HA TYR 43 HA TYR 43 -0.858 3.698 11.083 366 HB2 TYR 43 2HB TYR 43 -0.266 2.761 8.300 367 HB3 TYR 43 1HB TYR 43 -1.100 1.683 9.415 368 HD1 TYR 43 2HD TYR 43 -2.821 3.563 10.891 369 HD2 TYR 43 1HD TYR 43 -1.880 3.391 6.746 370 HE1 TYR 43 2HE TYR 43 -4.953 4.669 10.368 371 HE2 TYR 43 1HE TYR 43 -4.009 4.496 6.211 372 HH TYR 43 HH TYR 43 -6.509 4.861 8.467 373 H SER 44 H SER 44 1.748 3.754 11.996 374 HA SER 44 HA SER 44 3.162 1.343 11.796 375 HB2 SER 44 2HB SER 44 3.126 3.032 14.291 376 HB3 SER 44 1HB SER 44 4.463 2.106 13.611 377 HG SER 44 HG SER 44 4.253 3.627 11.767 378 H VAL 45 H VAL 45 0.599 2.364 14.002 379 HA VAL 45 HA VAL 45 0.701 -0.002 15.600 380 HB VAL 45 HB VAL 45 -1.424 0.778 16.561 381 HG11 VAL 45 1HG1 VAL 45 0.580 3.009 16.242 382 HG12 VAL 45 2HG1 VAL 45 0.722 1.664 17.376 383 HG13 VAL 45 3HG1 VAL 45 -0.593 2.828 17.547 384 HG21 VAL 45 3HG2 VAL 45 -2.511 1.678 14.616 385 HG22 VAL 45 1HG2 VAL 45 -1.253 2.901 14.425 386 HG23 VAL 45 2HG2 VAL 45 -2.342 2.964 15.811 387 H ASP 46 H ASP 46 -1.340 1.111 12.927 388 HA ASP 46 HA ASP 46 -3.100 -1.104 12.949 389 HB2 ASP 46 2HB ASP 46 -3.074 1.290 11.657 390 HB3 ASP 46 1HB ASP 46 -2.614 0.206 10.347 391 H TYR 47 H TYR 47 -0.104 -0.425 11.200 392 HA TYR 47 HA TYR 47 -0.199 -3.088 9.989 393 HB2 TYR 47 2HB TYR 47 1.075 -0.527 9.300 394 HB3 TYR 47 1HB TYR 47 2.095 -1.938 9.037 395 HD1 TYR 47 2HD TYR 47 0.225 -3.971 8.139 396 HD2 TYR 47 1HD TYR 47 0.337 0.181 7.222 397 HE1 TYR 47 2HE TYR 47 -0.932 -4.416 6.015 398 HE2 TYR 47 1HE TYR 47 -0.819 -0.251 5.095 399 HH TYR 47 HH TYR 47 -1.047 -3.169 3.685 400 H GLY 48 H GLY 48 2.639 -1.231 11.030 401 HA2 GLY 48 2HA GLY 48 4.511 -1.909 12.186 402 HA3 GLY 48 1HA GLY 48 3.341 -2.524 13.343 403 H ARG 49 H ARG 49 5.375 -3.329 10.605 404 HA ARG 49 HA ARG 49 5.272 -6.136 11.445 405 HB2 ARG 49 2HB ARG 49 5.016 -5.156 8.599 406 HB3 ARG 49 1HB ARG 49 5.277 -6.834 9.053 407 HG2 ARG 49 2HG ARG 49 3.018 -5.700 10.453 408 HG3 ARG 49 1HG ARG 49 2.841 -5.558 8.704 409 HD2 ARG 49 2HD ARG 49 3.474 -8.012 8.587 410 HD3 ARG 49 1HD ARG 49 3.256 -8.049 10.337 411 HE ARG 49 HE ARG 49 0.990 -6.960 8.981 412 HH11 ARG 49 1HH1 ARG 49 2.560 -9.943 9.883 413 HH12 ARG 49 2HH1 ARG 49 1.097 -10.868 9.858 414 HH21 ARG 49 1HH2 ARG 49 -0.937 -8.174 8.948 415 HH22 ARG 49 2HH2 ARG 49 -0.889 -9.863 9.327 416 H ARG 50 H ARG 50 7.195 -7.175 11.420 417 HA ARG 50 HA ARG 50 9.574 -5.663 11.260 418 HB2 ARG 50 2HB ARG 50 8.828 -8.172 12.239 419 HB3 ARG 50 1HB ARG 50 10.020 -8.518 10.994 420 HG2 ARG 50 2HG ARG 50 10.458 -6.562 13.239 421 HG3 ARG 50 1HG ARG 50 10.953 -8.256 13.286 422 HD2 ARG 50 2HD ARG 50 11.847 -6.972 10.858 423 HD3 ARG 50 1HD ARG 50 12.404 -6.096 12.280 424 HE ARG 50 HE ARG 50 13.690 -7.928 12.896 425 HH11 ARG 50 1HH1 ARG 50 11.773 -8.672 10.069 426 HH12 ARG 50 2HH1 ARG 50 12.669 -10.102 9.689 427 HH21 ARG 50 1HH2 ARG 50 14.862 -9.811 12.392 428 HH22 ARG 50 2HH2 ARG 50 14.419 -10.750 11.006 429 H LYS 51 H LYS 51 7.781 -7.456 8.911 430 HA LYS 51 HA LYS 51 9.823 -8.022 7.064 431 HB2 LYS 51 2HB LYS 51 6.850 -7.678 6.836 432 HB3 LYS 51 1HB LYS 51 7.832 -7.917 5.398 433 HG2 LYS 51 2HG LYS 51 8.677 -10.023 6.359 434 HG3 LYS 51 1HG LYS 51 7.608 -9.790 7.743 435 HD2 LYS 51 2HD LYS 51 6.577 -9.850 4.921 436 HD3 LYS 51 1HD LYS 51 6.782 -11.319 5.876 437 HE2 LYS 51 2HE LYS 51 4.709 -10.933 6.617 438 HE3 LYS 51 1HE LYS 51 5.433 -9.661 7.598 439 HZ1 LYS 51 3HZ LYS 51 4.710 -8.988 4.850 440 HZ2 LYS 51 1HZ LYS 51 4.640 -8.040 6.250 441 HZ3 LYS 51 2HZ LYS 51 3.444 -9.197 5.951 442 H ARG 52 H ARG 52 11.094 -6.056 7.177 443 HA ARG 52 HA ARG 52 10.104 -3.556 6.295 444 HB2 ARG 52 2HB ARG 52 12.447 -4.461 7.438 445 HB3 ARG 52 1HB ARG 52 12.956 -4.008 5.818 446 HG2 ARG 52 2HG ARG 52 11.350 -2.166 7.557 447 HG3 ARG 52 1HG ARG 52 13.112 -2.235 7.627 448 HD2 ARG 52 2HD ARG 52 11.863 -1.947 4.954 449 HD3 ARG 52 1HD ARG 52 11.798 -0.554 6.029 450 HE ARG 52 HE ARG 52 14.121 -0.374 5.926 451 HH11 ARG 52 1HH1 ARG 52 12.988 -3.116 4.074 452 HH12 ARG 52 2HH1 ARG 52 14.484 -3.315 3.230 453 HH21 ARG 52 1HH2 ARG 52 16.084 -0.644 4.811 454 HH22 ARG 52 2HH2 ARG 52 16.240 -1.915 3.646 455 H ASN 53 H ASN 53 12.092 -6.013 4.651 456 HA ASN 53 HA ASN 53 12.029 -4.684 2.136 457 HB2 ASN 53 2HB ASN 53 12.944 -6.829 1.256 458 HB3 ASN 53 1HB ASN 53 13.839 -6.204 2.638 459 HD21 ASN 53 1HD2 ASN 53 13.728 -7.272 4.604 460 HD22 ASN 53 2HD2 ASN 53 13.117 -8.883 4.744 461 H ALA 54 H ALA 54 10.277 -7.487 3.446 462 HA ALA 54 HA ALA 54 8.800 -8.143 1.183 463 HB1 ALA 54 1HB ALA 54 8.912 -8.999 3.827 464 HB2 ALA 54 2HB ALA 54 7.955 -9.703 2.524 465 HB3 ALA 54 3HB ALA 54 7.239 -8.494 3.589 466 H PHE 55 H PHE 55 7.960 -5.919 3.829 467 HA PHE 55 HA PHE 55 5.425 -5.192 2.884 468 HB2 PHE 55 2HB PHE 55 6.360 -4.702 5.167 469 HB3 PHE 55 1HB PHE 55 7.315 -3.416 4.437 470 HD1 PHE 55 1HD PHE 55 6.132 -1.499 3.338 471 HD2 PHE 55 2HD PHE 55 4.106 -4.376 5.732 472 HE1 PHE 55 1HE PHE 55 4.240 0.053 3.596 473 HE2 PHE 55 2HE PHE 55 2.210 -2.828 5.994 474 HZ PHE 55 HZ PHE 55 2.276 -0.611 4.925 475 H ARG 56 H ARG 56 8.631 -3.891 2.183 476 HA ARG 56 HA ARG 56 7.809 -1.627 0.734 477 HB2 ARG 56 2HB ARG 56 10.174 -2.364 1.593 478 HB3 ARG 56 1HB ARG 56 10.303 -3.119 0.010 479 HG2 ARG 56 2HG ARG 56 10.217 -1.080 -1.107 480 HG3 ARG 56 1HG ARG 56 9.531 -0.240 0.285 481 HD2 ARG 56 2HD ARG 56 11.833 -1.038 1.373 482 HD3 ARG 56 1HD ARG 56 12.342 -0.957 -0.313 483 HE ARG 56 HE ARG 56 10.946 1.385 0.623 484 HH11 ARG 56 1HH1 ARG 56 14.051 -0.177 0.295 485 HH12 ARG 56 2HH1 ARG 56 14.942 1.306 0.357 486 HH21 ARG 56 1HH2 ARG 56 12.117 3.335 0.705 487 HH22 ARG 56 2HH2 ARG 56 13.845 3.300 0.591 488 H ILE 57 H ILE 57 8.536 -4.940 -0.304 489 HA ILE 57 HA ILE 57 8.250 -4.535 -3.064 490 HB ILE 57 HB ILE 57 7.604 -7.056 -1.527 491 HG12 ILE 57 2HG1 ILE 57 10.217 -6.508 -2.897 492 HG13 ILE 57 1HG1 ILE 57 9.941 -5.913 -1.263 493 HG21 ILE 57 1HG2 ILE 57 7.147 -6.526 -4.173 494 HG22 ILE 57 2HG2 ILE 57 7.380 -8.129 -3.479 495 HG23 ILE 57 3HG2 ILE 57 8.741 -7.279 -4.210 496 HD11 ILE 57 3HD1 ILE 57 9.285 -8.355 -0.743 497 HD12 ILE 57 1HD1 ILE 57 10.989 -7.937 -0.912 498 HD13 ILE 57 2HD1 ILE 57 10.139 -8.725 -2.241 499 H GLN 58 H GLN 58 5.884 -5.317 -0.558 500 HA GLN 58 HA GLN 58 3.686 -5.800 -2.230 501 HB2 GLN 58 2HB GLN 58 4.095 -5.149 0.623 502 HB3 GLN 58 1HB GLN 58 2.510 -4.748 -0.022 503 HG2 GLN 58 2HG GLN 58 1.886 -6.853 0.187 504 HG3 GLN 58 1HG GLN 58 3.165 -7.348 -0.921 505 HE21 GLN 58 1HE2 GLN 58 2.954 -6.198 2.435 506 HE22 GLN 58 2HE2 GLN 58 3.956 -7.437 3.101 507 H VAL 59 H VAL 59 4.834 -2.809 -0.707 508 HA VAL 59 HA VAL 59 2.766 -1.155 -1.703 509 HB VAL 59 HB VAL 59 5.572 -0.327 -0.944 510 HG11 VAL 59 1HG1 VAL 59 4.000 1.739 -0.248 511 HG12 VAL 59 2HG1 VAL 59 3.105 1.135 -1.641 512 HG13 VAL 59 3HG1 VAL 59 4.794 1.608 -1.817 513 HG21 VAL 59 3HG2 VAL 59 4.872 -0.097 1.283 514 HG22 VAL 59 1HG2 VAL 59 4.236 -1.662 0.778 515 HG23 VAL 59 2HG2 VAL 59 3.168 -0.260 0.856 516 H GLU 60 H GLU 60 5.880 -2.157 -2.984 517 HA GLU 60 HA GLU 60 6.099 -0.320 -5.089 518 HB2 GLU 60 2HB GLU 60 7.065 -3.184 -4.969 519 HB3 GLU 60 1HB GLU 60 7.604 -1.976 -6.127 520 HG2 GLU 60 2HG GLU 60 7.948 -0.864 -3.561 521 HG3 GLU 60 1HG GLU 60 8.571 -2.513 -3.501 522 H LYS 61 H LYS 61 4.685 -3.582 -5.023 523 HA LYS 61 HA LYS 61 3.781 -3.468 -7.728 524 HB2 LYS 61 2HB LYS 61 3.591 -5.354 -5.468 525 HB3 LYS 61 1HB LYS 61 2.240 -5.407 -6.593 526 HG2 LYS 61 2HG LYS 61 3.962 -7.026 -7.181 527 HG3 LYS 61 1HG LYS 61 3.768 -5.806 -8.440 528 HD2 LYS 61 2HD LYS 61 5.894 -5.166 -8.249 529 HD3 LYS 61 1HD LYS 61 5.744 -4.984 -6.500 530 HE2 LYS 61 2HE LYS 61 6.099 -7.401 -6.236 531 HE3 LYS 61 1HE LYS 61 6.285 -7.556 -7.982 532 HZ1 LYS 61 3HZ LYS 61 8.323 -7.217 -6.315 533 HZ2 LYS 61 1HZ LYS 61 7.999 -5.599 -6.691 534 HZ3 LYS 61 2HZ LYS 61 8.351 -6.700 -7.924 535 H VAL 62 H VAL 62 2.433 -2.625 -4.620 536 HA VAL 62 HA VAL 62 -0.270 -2.402 -5.478 537 HB VAL 62 HB VAL 62 1.218 -1.414 -3.062 538 HG11 VAL 62 1HG1 VAL 62 -0.242 0.325 -3.056 539 HG12 VAL 62 2HG1 VAL 62 -1.298 -0.892 -2.340 540 HG13 VAL 62 3HG1 VAL 62 -1.423 -0.517 -4.058 541 HG21 VAL 62 3HG2 VAL 62 -0.290 -3.741 -3.769 542 HG22 VAL 62 1HG2 VAL 62 -1.082 -2.913 -2.428 543 HG23 VAL 62 2HG2 VAL 62 0.606 -3.404 -2.287 544 H PHE 63 H PHE 63 2.487 -0.252 -5.471 545 HA PHE 63 HA PHE 63 1.026 2.144 -5.946 546 HB2 PHE 63 2HB PHE 63 3.316 2.145 -5.030 547 HB3 PHE 63 1HB PHE 63 3.921 1.504 -6.554 548 HD1 PHE 63 1HD PHE 63 2.340 4.434 -4.961 549 HD2 PHE 63 2HD PHE 63 4.352 2.917 -8.391 550 HE1 PHE 63 1HE PHE 63 2.612 6.727 -5.811 551 HE2 PHE 63 2HE PHE 63 4.627 5.208 -9.246 552 HZ PHE 63 HZ PHE 63 3.758 7.117 -7.955 553 H SER 64 H SER 64 2.664 -0.200 -8.021 554 HA SER 64 HA SER 64 2.132 1.227 -10.440 555 HB2 SER 64 2HB SER 64 4.045 -0.296 -10.257 556 HB3 SER 64 1HB SER 64 2.949 -1.656 -10.017 557 HG SER 64 HG SER 64 2.123 -1.254 -12.112 558 H ILE 65 H ILE 65 0.489 -1.268 -8.612 559 HA ILE 65 HA ILE 65 -1.311 -1.978 -10.723 560 HB ILE 65 HB ILE 65 -0.649 -3.456 -8.770 561 HG12 ILE 65 2HG1 ILE 65 -3.614 -3.154 -9.273 562 HG13 ILE 65 1HG1 ILE 65 -2.493 -3.928 -10.388 563 HG21 ILE 65 1HG2 ILE 65 -1.749 -3.279 -6.699 564 HG22 ILE 65 2HG2 ILE 65 -2.861 -2.051 -7.305 565 HG23 ILE 65 3HG2 ILE 65 -1.161 -1.660 -7.067 566 HD11 ILE 65 3HD1 ILE 65 -3.287 -4.837 -7.640 567 HD12 ILE 65 1HD1 ILE 65 -1.931 -5.526 -8.532 568 HD13 ILE 65 2HD1 ILE 65 -3.566 -5.647 -9.181 569 H ILE 66 H ILE 66 -1.531 0.123 -7.873 570 HA ILE 66 HA ILE 66 -4.255 0.711 -8.016 571 HB ILE 66 HB ILE 66 -3.713 2.839 -6.858 572 HG12 ILE 66 2HG1 ILE 66 -0.850 1.919 -7.177 573 HG13 ILE 66 1HG1 ILE 66 -1.574 3.297 -7.997 574 HG21 ILE 66 1HG2 ILE 66 -2.334 1.584 -4.967 575 HG22 ILE 66 2HG2 ILE 66 -2.779 0.182 -5.940 576 HG23 ILE 66 3HG2 ILE 66 -4.033 1.235 -5.285 577 HD11 ILE 66 3HD1 ILE 66 -2.114 3.907 -5.430 578 HD12 ILE 66 1HD1 ILE 66 -0.678 4.448 -6.299 579 HD13 ILE 66 2HD1 ILE 66 -0.593 3.034 -5.247 580 H SER 67 H SER 67 -1.540 2.035 -9.807 581 HA SER 67 HA SER 67 -3.019 4.186 -10.972 582 HB2 SER 67 2HB SER 67 -0.954 4.069 -12.614 583 HB3 SER 67 1HB SER 67 -0.760 4.660 -10.965 584 HG SER 67 HG SER 67 0.708 2.901 -11.892 585 H SER 68 H SER 68 -1.892 1.036 -12.196 586 HA SER 68 HA SER 68 -3.136 1.379 -14.744 587 HB2 SER 68 2HB SER 68 -1.665 -0.798 -13.350 588 HB3 SER 68 1HB SER 68 -2.720 -1.264 -14.685 589 HG SER 68 HG SER 68 -0.581 0.599 -14.759 590 H GLU 69 H GLU 69 -4.026 -0.292 -11.763 591 HA GLU 69 HA GLU 69 -6.358 -1.511 -12.873 592 HB2 GLU 69 2HB GLU 69 -4.910 -2.094 -10.728 593 HB3 GLU 69 1HB GLU 69 -6.101 -1.070 -9.939 594 HG2 GLU 69 2HG GLU 69 -6.921 -3.340 -11.710 595 HG3 GLU 69 1HG GLU 69 -6.522 -3.589 -10.011 596 H LYS 70 H LYS 70 -5.850 1.259 -10.687 597 HA LYS 70 HA LYS 70 -8.665 1.928 -10.783 598 HB2 LYS 70 2HB LYS 70 -6.529 3.671 -9.589 599 HB3 LYS 70 1HB LYS 70 -8.221 3.536 -9.133 600 HG2 LYS 70 2HG LYS 70 -6.183 1.355 -8.747 601 HG3 LYS 70 1HG LYS 70 -6.647 2.523 -7.509 602 HD2 LYS 70 2HD LYS 70 -9.003 1.349 -8.635 603 HD3 LYS 70 1HD LYS 70 -7.891 0.069 -8.147 604 HE2 LYS 70 2HE LYS 70 -7.721 1.085 -5.919 605 HE3 LYS 70 1HE LYS 70 -8.854 2.342 -6.412 606 HZ1 LYS 70 3HZ LYS 70 -10.244 0.870 -5.386 607 HZ2 LYS 70 1HZ LYS 70 -9.354 -0.493 -5.846 608 HZ3 LYS 70 2HZ LYS 70 -10.342 0.292 -6.972 609 H GLU 71 H GLU 71 -5.622 3.433 -11.855 610 HA GLU 71 HA GLU 71 -5.179 4.933 -13.509 611 HB2 GLU 71 2HB GLU 71 -7.651 3.625 -14.395 612 HB3 GLU 71 1HB GLU 71 -7.439 5.243 -15.050 613 HG2 GLU 71 2HG GLU 71 -4.962 4.143 -15.407 614 HG3 GLU 71 1HG GLU 71 -6.032 2.767 -15.666 615 H LEU 72 H LEU 72 -5.235 6.417 -11.631 616 HA LEU 72 HA LEU 72 -7.513 8.271 -11.700 617 HB2 LEU 72 2HB LEU 72 -6.361 7.113 -9.553 618 HB3 LEU 72 1HB LEU 72 -5.405 8.579 -9.648 619 HG LEU 72 HG LEU 72 -7.995 9.512 -9.885 620 HD11 LEU 72 1HD1 LEU 72 -8.836 8.370 -7.626 621 HD12 LEU 72 2HD1 LEU 72 -7.954 7.008 -8.316 622 HD13 LEU 72 3HD1 LEU 72 -9.266 7.760 -9.224 623 HD21 LEU 72 3HD2 LEU 72 -6.197 9.259 -7.482 624 HD22 LEU 72 1HD2 LEU 72 -7.653 10.253 -7.524 625 HD23 LEU 72 2HD2 LEU 72 -6.307 10.615 -8.605 626 H LYS 73 H LYS 73 -6.364 10.542 -10.700 627 HA LYS 73 HA LYS 73 -3.990 11.279 -12.109 628 HB2 LYS 73 2HB LYS 73 -5.793 11.233 -13.906 629 HB3 LYS 73 1HB LYS 73 -6.524 12.597 -13.073 630 HG2 LYS 73 2HG LYS 73 -5.174 13.361 -14.925 631 HG3 LYS 73 1HG LYS 73 -4.468 13.888 -13.396 632 HD2 LYS 73 2HD LYS 73 -2.595 12.695 -13.721 633 HD3 LYS 73 1HD LYS 73 -3.484 11.292 -14.318 634 HE2 LYS 73 2HE LYS 73 -2.452 11.851 -16.254 635 HE3 LYS 73 1HE LYS 73 -3.837 12.933 -16.397 636 HZ1 LYS 73 3HZ LYS 73 -2.233 14.458 -16.703 637 HZ2 LYS 73 1HZ LYS 73 -1.043 13.553 -15.911 638 HZ3 LYS 73 2HZ LYS 73 -2.154 14.460 -15.014 639 H ASN 74 H ASN 74 -6.983 12.452 -10.612 640 HA ASN 74 HA ASN 74 -5.863 14.918 -9.735 641 HB2 ASN 74 2HB ASN 74 -8.403 13.954 -9.950 642 HB3 ASN 74 1HB ASN 74 -8.149 13.846 -8.210 643 HD21 ASN 74 1HD2 ASN 74 -9.617 15.460 -7.754 644 HD22 ASN 74 2HD2 ASN 74 -9.308 17.124 -8.098 Start of MODEL 7 1 H MET 1 H MET 1 -20.205 -21.585 -0.249 2 HA MET 1 HA MET 1 -18.507 -19.846 0.185 3 HB2 MET 1 2HB MET 1 -18.576 -22.548 0.557 4 HB3 MET 1 1HB MET 1 -17.054 -22.367 -0.304 5 HG2 MET 1 2HG MET 1 -16.291 -22.126 1.809 6 HG3 MET 1 1HG MET 1 -16.702 -20.444 1.481 7 HE1 MET 1 2HE MET 1 -17.775 -19.130 3.363 8 HE2 MET 1 3HE MET 1 -19.410 -19.561 3.865 9 HE3 MET 1 1HE MET 1 -19.034 -19.377 2.152 10 H LYS 2 H LYS 2 -17.296 -18.427 -0.872 11 HA LYS 2 HA LYS 2 -16.485 -18.787 -3.572 12 HB2 LYS 2 2HB LYS 2 -15.888 -16.702 -1.485 13 HB3 LYS 2 1HB LYS 2 -15.127 -16.657 -3.070 14 HG2 LYS 2 2HG LYS 2 -17.058 -16.094 -4.138 15 HG3 LYS 2 1HG LYS 2 -18.083 -16.904 -2.951 16 HD2 LYS 2 2HD LYS 2 -18.517 -14.821 -2.228 17 HD3 LYS 2 1HD LYS 2 -16.947 -14.953 -1.435 18 HE2 LYS 2 2HE LYS 2 -15.928 -13.561 -2.915 19 HE3 LYS 2 1HE LYS 2 -16.956 -14.063 -4.258 20 HZ1 LYS 2 3HZ LYS 2 -17.450 -12.025 -2.201 21 HZ2 LYS 2 1HZ LYS 2 -18.772 -12.822 -2.897 22 HZ3 LYS 2 2HZ LYS 2 -17.702 -11.947 -3.872 23 HA PRO 3 HA PRO 3 -12.581 -20.758 -2.935 24 HB2 PRO 3 2HB PRO 3 -11.369 -20.228 -5.270 25 HB3 PRO 3 1HB PRO 3 -12.776 -21.296 -5.175 26 HG2 PRO 3 2HG PRO 3 -12.633 -18.420 -5.995 27 HG3 PRO 3 1HG PRO 3 -13.548 -19.749 -6.730 28 HD2 PRO 3 2HD PRO 3 -14.638 -17.904 -5.020 29 HD3 PRO 3 1HD PRO 3 -15.270 -19.548 -5.233 30 H ARG 4 H ARG 4 -12.924 -17.447 -2.893 31 HA ARG 4 HA ARG 4 -10.302 -16.504 -3.179 32 HB2 ARG 4 2HB ARG 4 -11.062 -14.543 -1.906 33 HB3 ARG 4 1HB ARG 4 -12.224 -15.004 -3.144 34 HG2 ARG 4 2HG ARG 4 -13.193 -16.382 -1.042 35 HG3 ARG 4 1HG ARG 4 -12.476 -14.998 -0.213 36 HD2 ARG 4 2HD ARG 4 -14.127 -14.463 -2.621 37 HD3 ARG 4 1HD ARG 4 -14.964 -14.965 -1.152 38 HE ARG 4 HE ARG 4 -13.668 -12.444 -1.639 39 HH11 ARG 4 1HH1 ARG 4 -14.749 -14.682 0.811 40 HH12 ARG 4 2HH1 ARG 4 -14.870 -13.471 2.043 41 HH21 ARG 4 1HH2 ARG 4 -13.826 -10.850 -0.020 42 HH22 ARG 4 2HH2 ARG 4 -14.347 -11.295 1.571 43 HA PRO 5 HA PRO 5 -8.465 -18.190 0.508 44 HB2 PRO 5 2HB PRO 5 -6.117 -16.872 0.435 45 HB3 PRO 5 1HB PRO 5 -6.503 -18.167 -0.706 46 HG2 PRO 5 2HG PRO 5 -6.637 -15.201 -1.092 47 HG3 PRO 5 1HG PRO 5 -6.022 -16.446 -2.194 48 HD2 PRO 5 2HD PRO 5 -8.500 -15.331 -2.425 49 HD3 PRO 5 1HD PRO 5 -8.118 -16.980 -2.960 50 H GLY 6 H GLY 6 -8.228 -14.672 -0.012 51 HA2 GLY 6 2HA GLY 6 -9.529 -13.473 1.858 52 HA3 GLY 6 1HA GLY 6 -8.379 -14.292 2.904 53 H VAL 7 H VAL 7 -6.291 -13.536 3.065 54 HA VAL 7 HA VAL 7 -4.577 -12.039 2.991 55 HB VAL 7 HB VAL 7 -5.674 -11.155 0.322 56 HG11 VAL 7 1HG1 VAL 7 -3.893 -9.781 1.461 57 HG12 VAL 7 2HG1 VAL 7 -3.483 -10.384 -0.145 58 HG13 VAL 7 3HG1 VAL 7 -2.825 -11.173 1.288 59 HG21 VAL 7 3HG2 VAL 7 -5.339 -13.652 0.547 60 HG22 VAL 7 1HG2 VAL 7 -3.621 -13.311 0.762 61 HG23 VAL 7 2HG2 VAL 7 -4.428 -12.863 -0.741 62 H PHE 8 H PHE 8 -4.311 -10.121 3.968 63 HA PHE 8 HA PHE 8 -6.342 -8.039 3.591 64 HB2 PHE 8 2HB PHE 8 -5.293 -8.753 6.327 65 HB3 PHE 8 1HB PHE 8 -6.633 -7.683 5.925 66 HD1 PHE 8 2HD PHE 8 -8.794 -8.583 5.280 67 HD2 PHE 8 1HD PHE 8 -5.566 -11.141 6.349 68 HE1 PHE 8 2HE PHE 8 -10.367 -10.459 5.527 69 HE2 PHE 8 1HE PHE 8 -7.132 -13.022 6.598 70 HZ PHE 8 HZ PHE 8 -9.536 -12.683 6.187 71 H VAL 9 H VAL 9 -3.257 -8.789 5.206 72 HA VAL 9 HA VAL 9 -2.313 -6.189 5.478 73 HB VAL 9 HB VAL 9 -0.010 -7.242 5.403 74 HG11 VAL 9 1HG1 VAL 9 -0.822 -7.009 7.544 75 HG12 VAL 9 2HG1 VAL 9 -0.593 -8.755 7.452 76 HG13 VAL 9 3HG1 VAL 9 -2.203 -8.066 7.250 77 HG21 VAL 9 3HG2 VAL 9 -1.332 -9.904 5.479 78 HG22 VAL 9 1HG2 VAL 9 0.308 -9.469 4.997 79 HG23 VAL 9 2HG2 VAL 9 -1.044 -9.158 3.907 80 H ASP 10 H ASP 10 -2.435 -8.240 2.668 81 HA ASP 10 HA ASP 10 -0.646 -6.538 1.142 82 HB2 ASP 10 2HB ASP 10 -0.860 -9.102 0.928 83 HB3 ASP 10 1HB ASP 10 -2.322 -8.764 0.006 84 H ARG 11 H ARG 11 -4.087 -7.413 1.150 85 HA ARG 11 HA ARG 11 -4.798 -5.749 -1.027 86 HB2 ARG 11 2HB ARG 11 -6.086 -7.714 0.187 87 HB3 ARG 11 1HB ARG 11 -6.773 -6.390 1.116 88 HG2 ARG 11 2HG ARG 11 -7.054 -5.467 -1.426 89 HG3 ARG 11 1HG ARG 11 -7.263 -7.205 -1.650 90 HD2 ARG 11 2HD ARG 11 -8.749 -5.568 0.398 91 HD3 ARG 11 1HD ARG 11 -9.380 -5.962 -1.200 92 HE ARG 11 HE ARG 11 -9.215 -7.706 1.076 93 HH11 ARG 11 1HH1 ARG 11 -9.364 -7.563 -2.408 94 HH12 ARG 11 2HH1 ARG 11 -10.016 -9.159 -2.569 95 HH21 ARG 11 1HH2 ARG 11 -10.072 -9.805 0.865 96 HH22 ARG 11 2HH2 ARG 11 -10.418 -10.432 -0.712 97 H LYS 12 H LYS 12 -4.752 -5.250 2.472 98 HA LYS 12 HA LYS 12 -6.094 -2.816 2.597 99 HB2 LYS 12 2HB LYS 12 -4.112 -4.222 4.295 100 HB3 LYS 12 1HB LYS 12 -4.295 -2.494 4.574 101 HG2 LYS 12 2HG LYS 12 -5.738 -3.661 6.071 102 HG3 LYS 12 1HG LYS 12 -6.734 -2.852 4.859 103 HD2 LYS 12 2HD LYS 12 -6.426 -5.213 3.645 104 HD3 LYS 12 1HD LYS 12 -6.266 -5.741 5.321 105 HE2 LYS 12 2HE LYS 12 -8.590 -4.368 4.003 106 HE3 LYS 12 1HE LYS 12 -8.558 -5.933 4.814 107 HZ1 LYS 12 3HZ LYS 12 -8.024 -4.656 6.896 108 HZ2 LYS 12 1HZ LYS 12 -9.587 -4.436 6.287 109 HZ3 LYS 12 2HZ LYS 12 -8.411 -3.244 6.049 110 H LEU 13 H LEU 13 -2.757 -3.530 1.760 111 HA LEU 13 HA LEU 13 -1.676 -0.967 1.881 112 HB2 LEU 13 2HB LEU 13 -0.708 -3.395 1.230 113 HB3 LEU 13 1HB LEU 13 -0.820 -2.688 -0.370 114 HG LEU 13 HG LEU 13 1.400 -2.336 0.457 115 HD11 LEU 13 1HD1 LEU 13 -0.023 0.290 0.797 116 HD12 LEU 13 2HD1 LEU 13 0.211 -0.480 -0.773 117 HD13 LEU 13 3HD1 LEU 13 1.607 0.002 0.190 118 HD21 LEU 13 3HD2 LEU 13 0.542 -0.656 2.738 119 HD22 LEU 13 1HD2 LEU 13 1.964 -1.683 2.554 120 HD23 LEU 13 2HD2 LEU 13 0.399 -2.403 2.928 121 H LYS 14 H LYS 14 -3.448 -2.566 -0.731 122 HA LYS 14 HA LYS 14 -3.155 -0.405 -2.572 123 HB2 LYS 14 2HB LYS 14 -3.746 -2.940 -2.971 124 HB3 LYS 14 1HB LYS 14 -5.397 -2.375 -2.764 125 HG2 LYS 14 2HG LYS 14 -4.919 -0.671 -4.556 126 HG3 LYS 14 1HG LYS 14 -3.410 -1.535 -4.855 127 HD2 LYS 14 2HD LYS 14 -5.058 -2.325 -6.410 128 HD3 LYS 14 1HD LYS 14 -4.742 -3.604 -5.235 129 HE2 LYS 14 2HE LYS 14 -6.762 -3.064 -4.036 130 HE3 LYS 14 1HE LYS 14 -7.048 -1.667 -5.074 131 HZ1 LYS 14 3HZ LYS 14 -6.793 -4.280 -6.359 132 HZ2 LYS 14 1HZ LYS 14 -7.770 -2.962 -6.773 133 HZ3 LYS 14 2HZ LYS 14 -8.214 -3.975 -5.495 134 H GLN 15 H GLN 15 -5.892 -1.575 -0.618 135 HA GLN 15 HA GLN 15 -7.708 0.426 -1.325 136 HB2 GLN 15 2HB GLN 15 -8.230 -1.717 -0.126 137 HB3 GLN 15 1HB GLN 15 -7.580 -0.992 1.337 138 HG2 GLN 15 2HG GLN 15 -9.656 -0.318 1.739 139 HG3 GLN 15 1HG GLN 15 -9.380 0.890 0.486 140 HE21 GLN 15 1HE2 GLN 15 -10.897 -2.122 1.285 141 HE22 GLN 15 2HE2 GLN 15 -11.901 -2.228 -0.116 142 H ARG 16 H ARG 16 -5.480 0.264 1.445 143 HA ARG 16 HA ARG 16 -6.260 2.728 2.576 144 HB2 ARG 16 2HB ARG 16 -4.743 0.725 3.469 145 HB3 ARG 16 1HB ARG 16 -3.456 1.786 2.911 146 HG2 ARG 16 2HG ARG 16 -3.676 2.425 5.104 147 HG3 ARG 16 1HG ARG 16 -4.716 3.595 4.289 148 HD2 ARG 16 2HD ARG 16 -5.919 1.038 5.216 149 HD3 ARG 16 1HD ARG 16 -5.525 2.259 6.425 150 HE ARG 16 HE ARG 16 -6.904 3.628 4.517 151 HH11 ARG 16 1HH1 ARG 16 -7.558 0.784 6.430 152 HH12 ARG 16 2HH1 ARG 16 -9.269 1.041 6.456 153 HH21 ARG 16 1HH2 ARG 16 -9.156 3.970 4.550 154 HH22 ARG 16 2HH2 ARG 16 -10.178 2.849 5.389 155 H VAL 17 H VAL 17 -3.766 1.871 0.226 156 HA VAL 17 HA VAL 17 -2.574 4.442 0.117 157 HB VAL 17 HB VAL 17 -2.481 2.043 -1.688 158 HG11 VAL 17 1HG1 VAL 17 -1.570 4.811 -2.301 159 HG12 VAL 17 2HG1 VAL 17 -2.225 3.572 -3.372 160 HG13 VAL 17 3HG1 VAL 17 -0.559 3.455 -2.805 161 HG21 VAL 17 3HG2 VAL 17 -0.177 3.436 -0.382 162 HG22 VAL 17 1HG2 VAL 17 -0.327 1.749 -0.877 163 HG23 VAL 17 2HG2 VAL 17 -1.202 2.334 0.538 164 H ILE 18 H ILE 18 -4.877 2.811 -2.086 165 HA ILE 18 HA ILE 18 -5.204 4.885 -3.896 166 HB ILE 18 HB ILE 18 -7.393 3.935 -4.448 167 HG12 ILE 18 2HG1 ILE 18 -6.949 2.176 -2.026 168 HG13 ILE 18 1HG1 ILE 18 -8.164 3.442 -2.168 169 HG21 ILE 18 1HG2 ILE 18 -6.376 2.309 -5.574 170 HG22 ILE 18 2HG2 ILE 18 -5.999 1.421 -4.098 171 HG23 ILE 18 3HG2 ILE 18 -4.923 2.702 -4.656 172 HD11 ILE 18 3HD1 ILE 18 -8.022 0.878 -3.731 173 HD12 ILE 18 1HD1 ILE 18 -9.175 2.175 -4.043 174 HD13 ILE 18 2HD1 ILE 18 -9.207 1.320 -2.501 175 H GLN 19 H GLN 19 -6.772 4.375 -0.783 176 HA GLN 19 HA GLN 19 -8.603 6.544 -1.049 177 HB2 GLN 19 2HB GLN 19 -7.703 4.797 1.211 178 HB3 GLN 19 1HB GLN 19 -8.643 6.242 1.553 179 HG2 GLN 19 2HG GLN 19 -10.103 5.096 -0.437 180 HG3 GLN 19 1HG GLN 19 -9.468 3.683 0.406 181 HE21 GLN 19 1HE2 GLN 19 -10.190 3.203 2.432 182 HE22 GLN 19 2HE2 GLN 19 -11.489 4.038 3.206 183 H TYR 20 H TYR 20 -5.340 6.198 0.174 184 HA TYR 20 HA TYR 20 -5.251 8.722 1.500 185 HB2 TYR 20 2HB TYR 20 -3.321 6.576 0.835 186 HB3 TYR 20 1HB TYR 20 -2.644 8.186 1.062 187 HD1 TYR 20 1HD TYR 20 -4.373 9.258 3.198 188 HD2 TYR 20 2HD TYR 20 -2.672 5.386 2.728 189 HE1 TYR 20 1HE TYR 20 -4.440 8.940 5.634 190 HE2 TYR 20 2HE TYR 20 -2.735 5.057 5.164 191 HH TYR 20 HH TYR 20 -3.368 7.610 7.350 192 H LEU 21 H LEU 21 -4.334 7.597 -1.725 193 HA LEU 21 HA LEU 21 -3.096 10.049 -2.496 194 HB2 LEU 21 2HB LEU 21 -4.285 8.115 -4.452 195 HB3 LEU 21 1HB LEU 21 -2.865 9.126 -4.633 196 HG LEU 21 HG LEU 21 -2.647 7.117 -2.498 197 HD11 LEU 21 1HD1 LEU 21 -3.761 6.289 -4.955 198 HD12 LEU 21 2HD1 LEU 21 -3.174 5.287 -3.630 199 HD13 LEU 21 3HD1 LEU 21 -2.083 5.749 -4.934 200 HD21 LEU 21 3HD2 LEU 21 -0.435 6.974 -3.217 201 HD22 LEU 21 1HD2 LEU 21 -0.858 8.669 -3.472 202 HD23 LEU 21 2HD2 LEU 21 -0.828 7.552 -4.837 203 H SER 22 H SER 22 -6.274 8.604 -3.165 204 HA SER 22 HA SER 22 -7.297 10.641 -4.768 205 HB2 SER 22 2HB SER 22 -8.917 8.985 -2.825 206 HB3 SER 22 1HB SER 22 -9.468 9.717 -4.331 207 HG SER 22 HG SER 22 -8.014 8.307 -5.430 208 H SER 23 H SER 23 -7.204 10.322 -1.259 209 HA SER 23 HA SER 23 -8.826 12.619 -0.752 210 HB2 SER 23 2HB SER 23 -7.189 10.745 0.881 211 HB3 SER 23 1HB SER 23 -7.535 12.328 1.576 212 HG SER 23 HG SER 23 -9.554 10.685 0.468 213 H ASN 24 H ASN 24 -5.398 12.035 -1.151 214 HA ASN 24 HA ASN 24 -4.874 14.787 -1.640 215 HB2 ASN 24 2HB ASN 24 -3.310 15.165 0.240 216 HB3 ASN 24 1HB ASN 24 -4.969 14.944 0.788 217 HD21 ASN 24 1HD2 ASN 24 -5.557 12.886 1.675 218 HD22 ASN 24 2HD2 ASN 24 -4.362 11.907 2.446 219 H ARG 25 H ARG 25 -2.755 15.159 -2.429 220 HA ARG 25 HA ARG 25 -1.636 13.048 -3.879 221 HB2 ARG 25 2HB ARG 25 -1.398 15.671 -4.086 222 HB3 ARG 25 1HB ARG 25 0.049 15.397 -3.127 223 HG2 ARG 25 2HG ARG 25 1.166 14.471 -4.836 224 HG3 ARG 25 1HG ARG 25 -0.255 13.611 -5.433 225 HD2 ARG 25 2HD ARG 25 0.034 16.584 -5.731 226 HD3 ARG 25 1HD ARG 25 0.733 15.465 -6.901 227 HE ARG 25 HE ARG 25 -2.039 16.139 -6.589 228 HH11 ARG 25 1HH1 ARG 25 0.189 13.692 -7.697 229 HH12 ARG 25 2HH1 ARG 25 -0.943 12.982 -8.799 230 HH21 ARG 25 1HH2 ARG 25 -3.529 15.207 -8.038 231 HH22 ARG 25 2HH2 ARG 25 -3.054 13.842 -8.993 232 H CYS 26 H CYS 26 -0.735 14.435 -0.760 233 HA CYS 26 HA CYS 26 0.646 13.715 0.896 234 HB2 CYS 26 2HB CYS 26 -0.825 11.657 0.543 235 HB3 CYS 26 1HB CYS 26 0.517 10.981 -0.374 236 HG CYS 26 HG CYS 26 1.370 11.811 2.410 237 H GLY 27 H GLY 27 2.249 15.045 -0.341 238 HA2 GLY 27 2HA GLY 27 4.653 14.986 -0.430 239 HA3 GLY 27 1HA GLY 27 4.548 13.342 -1.041 240 H LYS 28 H LYS 28 5.833 15.880 -2.064 241 HA LYS 28 HA LYS 28 4.465 16.730 -4.378 242 HB2 LYS 28 2HB LYS 28 7.138 17.065 -3.220 243 HB3 LYS 28 1HB LYS 28 7.123 17.109 -4.977 244 HG2 LYS 28 2HG LYS 28 6.014 19.073 -5.057 245 HG3 LYS 28 1HG LYS 28 5.064 18.723 -3.611 246 HD2 LYS 28 2HD LYS 28 6.475 20.470 -2.960 247 HD3 LYS 28 1HD LYS 28 7.263 19.024 -2.329 248 HE2 LYS 28 2HE LYS 28 9.102 19.783 -3.350 249 HE3 LYS 28 1HE LYS 28 8.338 19.241 -4.843 250 HZ1 LYS 28 3HZ LYS 28 8.050 21.968 -3.705 251 HZ2 LYS 28 1HZ LYS 28 7.468 21.431 -5.200 252 HZ3 LYS 28 2HZ LYS 28 9.133 21.554 -4.936 253 H TYR 29 H TYR 29 6.611 14.042 -3.742 254 HA TYR 29 HA TYR 29 5.851 12.817 -6.243 255 HB2 TYR 29 2HB TYR 29 8.488 14.060 -5.857 256 HB3 TYR 29 1HB TYR 29 8.552 12.397 -6.431 257 HD1 TYR 29 1HD TYR 29 6.670 11.961 -8.367 258 HD2 TYR 29 2HD TYR 29 8.572 15.666 -7.498 259 HE1 TYR 29 1HE TYR 29 6.205 12.729 -10.656 260 HE2 TYR 29 2HE TYR 29 8.112 16.444 -9.785 261 HH TYR 29 HH TYR 29 5.998 14.773 -11.907 262 H VAL 30 H VAL 30 5.078 11.901 -3.907 263 HA VAL 30 HA VAL 30 6.809 10.207 -2.493 264 HB VAL 30 HB VAL 30 4.619 10.899 -1.624 265 HG11 VAL 30 1HG1 VAL 30 3.620 10.270 -4.056 266 HG12 VAL 30 2HG1 VAL 30 2.640 10.467 -2.603 267 HG13 VAL 30 3HG1 VAL 30 3.129 8.855 -3.124 268 HG21 VAL 30 3HG2 VAL 30 3.882 8.302 -1.209 269 HG22 VAL 30 1HG2 VAL 30 5.132 9.160 -0.308 270 HG23 VAL 30 2HG2 VAL 30 5.576 8.134 -1.671 271 H ASP 31 H ASP 31 7.953 8.621 -3.395 272 HA ASP 31 HA ASP 31 6.878 7.108 -5.632 273 HB2 ASP 31 2HB ASP 31 9.397 7.968 -5.069 274 HB3 ASP 31 1HB ASP 31 9.478 6.307 -4.489 275 H THR 32 H THR 32 7.928 4.637 -5.354 276 HA THR 32 HA THR 32 6.073 3.310 -3.733 277 HB THR 32 HB THR 32 7.547 1.292 -4.140 278 HG1 THR 32 1HG THR 32 9.253 1.641 -5.636 279 HG21 THR 32 3HG2 THR 32 5.848 2.510 -5.860 280 HG22 THR 32 1HG2 THR 32 6.655 0.971 -6.160 281 HG23 THR 32 2HG2 THR 32 7.333 2.463 -6.810 282 H GLY 33 H GLY 33 9.595 3.657 -3.263 283 HA2 GLY 33 2HA GLY 33 9.659 2.470 -0.710 284 HA3 GLY 33 1HA GLY 33 10.883 3.546 -1.366 285 H ILE 34 H ILE 34 9.133 5.800 -1.721 286 HA ILE 34 HA ILE 34 9.324 6.922 0.889 287 HB ILE 34 HB ILE 34 7.845 8.074 -1.475 288 HG12 ILE 34 2HG1 ILE 34 10.764 8.349 -0.722 289 HG13 ILE 34 1HG1 ILE 34 10.138 7.474 -2.116 290 HG21 ILE 34 1HG2 ILE 34 7.720 10.023 -0.347 291 HG22 ILE 34 2HG2 ILE 34 9.276 9.787 0.449 292 HG23 ILE 34 3HG2 ILE 34 7.839 8.967 1.060 293 HD11 ILE 34 3HD1 ILE 34 10.143 9.321 -3.327 294 HD12 ILE 34 1HD1 ILE 34 10.904 10.159 -1.975 295 HD13 ILE 34 2HD1 ILE 34 9.148 10.157 -2.135 296 H LEU 35 H LEU 35 6.618 5.872 -1.142 297 HA LEU 35 HA LEU 35 4.568 6.695 0.619 298 HB2 LEU 35 2HB LEU 35 4.109 6.241 -1.712 299 HB3 LEU 35 1HB LEU 35 4.604 4.570 -1.522 300 HG LEU 35 HG LEU 35 2.658 4.471 0.221 301 HD11 LEU 35 1HD1 LEU 35 1.074 6.078 0.202 302 HD12 LEU 35 2HD1 LEU 35 1.310 6.445 -1.506 303 HD13 LEU 35 3HD1 LEU 35 2.427 7.090 -0.302 304 HD21 LEU 35 3HD2 LEU 35 1.553 3.303 -1.345 305 HD22 LEU 35 1HD2 LEU 35 2.954 3.658 -2.355 306 HD23 LEU 35 2HD2 LEU 35 1.506 4.660 -2.470 307 H ALA 36 H ALA 36 6.061 3.509 0.076 308 HA ALA 36 HA ALA 36 4.614 2.045 1.933 309 HB1 ALA 36 1HB ALA 36 6.246 0.385 1.741 310 HB2 ALA 36 2HB ALA 36 7.533 1.555 1.451 311 HB3 ALA 36 3HB ALA 36 6.325 1.245 0.204 312 H SER 37 H SER 37 7.695 3.764 2.414 313 HA SER 37 HA SER 37 8.050 3.116 5.109 314 HB2 SER 37 2HB SER 37 9.048 5.292 3.321 315 HB3 SER 37 1HB SER 37 9.306 5.449 5.059 316 HG SER 37 HG SER 37 10.049 3.187 3.515 317 H ASP 38 H ASP 38 6.447 5.920 3.629 318 HA ASP 38 HA ASP 38 5.761 7.159 6.085 319 HB2 ASP 38 2HB ASP 38 5.054 7.530 3.226 320 HB3 ASP 38 1HB ASP 38 3.928 8.188 4.409 321 H LEU 39 H LEU 39 4.078 4.908 3.952 322 HA LEU 39 HA LEU 39 1.548 5.002 5.120 323 HB2 LEU 39 2HB LEU 39 2.532 3.712 3.019 324 HB3 LEU 39 1HB LEU 39 2.605 2.387 4.165 325 HG LEU 39 HG LEU 39 0.172 2.671 4.590 326 HD11 LEU 39 1HD1 LEU 39 0.488 5.134 3.448 327 HD12 LEU 39 2HD1 LEU 39 -1.056 4.327 3.724 328 HD13 LEU 39 3HD1 LEU 39 -0.272 4.214 2.148 329 HD21 LEU 39 3HD2 LEU 39 -0.447 1.381 2.793 330 HD22 LEU 39 1HD2 LEU 39 1.307 1.205 2.743 331 HD23 LEU 39 2HD2 LEU 39 0.501 2.327 1.647 332 H GLN 40 H GLN 40 4.298 2.875 5.881 333 HA GLN 40 HA GLN 40 2.959 1.545 8.012 334 HB2 GLN 40 2HB GLN 40 5.179 0.634 8.557 335 HB3 GLN 40 1HB GLN 40 4.812 0.484 6.844 336 HG2 GLN 40 2HG GLN 40 6.405 1.991 6.223 337 HG3 GLN 40 1HG GLN 40 6.321 2.873 7.748 338 HE21 GLN 40 1HE2 GLN 40 7.858 2.522 9.196 339 HE22 GLN 40 2HE2 GLN 40 8.993 1.220 9.165 340 H ARG 41 H ARG 41 4.891 4.437 7.767 341 HA ARG 41 HA ARG 41 5.487 4.713 10.527 342 HB2 ARG 41 2HB ARG 41 6.151 6.061 8.174 343 HB3 ARG 41 1HB ARG 41 5.271 7.247 9.128 344 HG2 ARG 41 2HG ARG 41 6.846 7.277 10.799 345 HG3 ARG 41 1HG ARG 41 7.432 5.655 10.423 346 HD2 ARG 41 2HD ARG 41 9.144 6.752 9.464 347 HD3 ARG 41 1HD ARG 41 8.020 6.955 8.121 348 HE ARG 41 HE ARG 41 7.856 9.037 10.097 349 HH11 ARG 41 1HH1 ARG 41 9.487 7.955 7.209 350 HH12 ARG 41 2HH1 ARG 41 9.967 9.548 6.731 351 HH21 ARG 41 1HH2 ARG 41 8.486 11.135 9.471 352 HH22 ARG 41 2HH2 ARG 41 9.399 11.354 8.016 353 H LEU 42 H LEU 42 2.922 6.059 8.470 354 HA LEU 42 HA LEU 42 1.691 7.473 10.636 355 HB2 LEU 42 2HB LEU 42 -0.155 7.848 9.015 356 HB3 LEU 42 1HB LEU 42 1.420 8.359 8.438 357 HG LEU 42 HG LEU 42 1.305 5.834 7.429 358 HD11 LEU 42 1HD1 LEU 42 -1.402 6.753 6.726 359 HD12 LEU 42 2HD1 LEU 42 -1.212 6.079 8.344 360 HD13 LEU 42 3HD1 LEU 42 -0.770 5.119 6.933 361 HD21 LEU 42 3HD2 LEU 42 0.238 8.340 6.133 362 HD22 LEU 42 1HD2 LEU 42 0.807 6.897 5.295 363 HD23 LEU 42 2HD2 LEU 42 1.936 7.875 6.233 364 H TYR 43 H TYR 43 1.226 4.364 9.069 365 HA TYR 43 HA TYR 43 -1.019 3.801 10.879 366 HB2 TYR 43 2HB TYR 43 -0.300 2.916 8.159 367 HB3 TYR 43 1HB TYR 43 -0.930 1.650 9.206 368 HD1 TYR 43 2HD TYR 43 -2.970 2.922 10.771 369 HD2 TYR 43 1HD TYR 43 -1.954 3.571 6.692 370 HE1 TYR 43 2HE TYR 43 -5.263 3.693 10.330 371 HE2 TYR 43 1HE TYR 43 -4.245 4.345 6.239 372 HH TYR 43 HH TYR 43 -6.485 5.027 8.746 373 H SER 44 H SER 44 1.478 3.853 12.044 374 HA SER 44 HA SER 44 2.878 1.441 12.123 375 HB2 SER 44 2HB SER 44 2.721 2.821 14.708 376 HB3 SER 44 1HB SER 44 4.125 2.468 13.700 377 HG SER 44 HG SER 44 2.438 4.699 13.700 378 H VAL 45 H VAL 45 -0.105 2.398 13.654 379 HA VAL 45 HA VAL 45 -0.187 0.238 15.530 380 HB VAL 45 HB VAL 45 -2.577 0.870 15.812 381 HG11 VAL 45 1HG1 VAL 45 -2.105 3.193 16.654 382 HG12 VAL 45 2HG1 VAL 45 -0.498 3.043 15.944 383 HG13 VAL 45 3HG1 VAL 45 -0.999 1.944 17.228 384 HG21 VAL 45 3HG2 VAL 45 -2.863 1.605 13.424 385 HG22 VAL 45 1HG2 VAL 45 -2.001 3.083 13.852 386 HG23 VAL 45 2HG2 VAL 45 -3.535 2.699 14.633 387 H ASP 46 H ASP 46 -1.281 0.742 12.246 388 HA ASP 46 HA ASP 46 -2.783 -1.748 12.222 389 HB2 ASP 46 2HB ASP 46 -2.483 0.579 10.404 390 HB3 ASP 46 1HB ASP 46 -2.826 -0.974 9.646 391 H TYR 47 H TYR 47 -0.071 -0.361 10.362 392 HA TYR 47 HA TYR 47 0.660 -2.972 9.360 393 HB2 TYR 47 2HB TYR 47 1.856 -0.224 8.998 394 HB3 TYR 47 1HB TYR 47 2.560 -1.675 8.294 395 HD1 TYR 47 1HD TYR 47 0.675 -3.175 7.020 396 HD2 TYR 47 2HD TYR 47 0.560 1.041 7.581 397 HE1 TYR 47 1HE TYR 47 -0.820 -2.964 5.079 398 HE2 TYR 47 2HE TYR 47 -0.937 1.264 5.643 399 HH TYR 47 HH TYR 47 -2.658 -0.383 4.446 400 H GLY 48 H GLY 48 2.731 -0.480 10.836 401 HA2 GLY 48 2HA GLY 48 3.908 -0.816 12.908 402 HA3 GLY 48 1HA GLY 48 3.819 -2.548 12.629 403 H ARG 49 H ARG 49 5.658 -3.462 12.029 404 HA ARG 49 HA ARG 49 7.377 -2.239 10.070 405 HB2 ARG 49 2HB ARG 49 9.398 -2.432 11.622 406 HB3 ARG 49 1HB ARG 49 8.322 -1.064 11.875 407 HG2 ARG 49 2HG ARG 49 7.281 -2.192 13.748 408 HG3 ARG 49 1HG ARG 49 8.280 -3.619 13.469 409 HD2 ARG 49 2HD ARG 49 10.230 -1.841 13.680 410 HD3 ARG 49 1HD ARG 49 9.011 -0.974 14.613 411 HE ARG 49 HE ARG 49 9.122 -3.623 15.521 412 HH11 ARG 49 1HH1 ARG 49 11.078 -0.733 15.500 413 HH12 ARG 49 2HH1 ARG 49 11.904 -1.130 16.969 414 HH21 ARG 49 1HH2 ARG 49 10.206 -4.146 17.455 415 HH22 ARG 49 2HH2 ARG 49 11.410 -3.069 18.079 416 H ARG 50 H ARG 50 5.836 -4.692 10.404 417 HA ARG 50 HA ARG 50 7.809 -6.789 10.758 418 HB2 ARG 50 2HB ARG 50 4.867 -6.640 10.494 419 HB3 ARG 50 1HB ARG 50 5.618 -8.086 9.835 420 HG2 ARG 50 2HG ARG 50 6.689 -8.501 12.006 421 HG3 ARG 50 1HG ARG 50 5.880 -7.076 12.659 422 HD2 ARG 50 2HD ARG 50 3.905 -8.134 12.854 423 HD3 ARG 50 1HD ARG 50 4.100 -8.986 11.323 424 HE ARG 50 HE ARG 50 5.873 -10.093 13.181 425 HH11 ARG 50 1HH1 ARG 50 2.438 -9.858 12.614 426 HH12 ARG 50 2HH1 ARG 50 2.078 -11.356 13.405 427 HH21 ARG 50 1HH2 ARG 50 5.401 -12.066 14.220 428 HH22 ARG 50 2HH2 ARG 50 3.760 -12.609 14.316 429 H LYS 51 H LYS 51 8.785 -7.931 9.174 430 HA LYS 51 HA LYS 51 9.560 -8.482 7.107 431 HB2 LYS 51 2HB LYS 51 6.644 -8.069 6.658 432 HB3 LYS 51 1HB LYS 51 7.679 -8.213 5.244 433 HG2 LYS 51 2HG LYS 51 7.377 -10.231 7.456 434 HG3 LYS 51 1HG LYS 51 6.749 -10.362 5.813 435 HD2 LYS 51 2HD LYS 51 9.482 -9.840 5.523 436 HD3 LYS 51 1HD LYS 51 9.368 -11.012 6.836 437 HE2 LYS 51 2HE LYS 51 7.906 -11.375 4.236 438 HE3 LYS 51 1HE LYS 51 9.567 -11.922 4.459 439 HZ1 LYS 51 3HZ LYS 51 8.412 -13.787 5.037 440 HZ2 LYS 51 1HZ LYS 51 7.098 -12.933 5.677 441 HZ3 LYS 51 2HZ LYS 51 8.537 -13.055 6.557 442 H ARG 52 H ARG 52 11.038 -6.761 7.016 443 HA ARG 52 HA ARG 52 10.369 -4.163 6.114 444 HB2 ARG 52 2HB ARG 52 12.954 -5.674 6.374 445 HB3 ARG 52 1HB ARG 52 12.913 -4.073 5.648 446 HG2 ARG 52 2HG ARG 52 13.166 -3.282 7.707 447 HG3 ARG 52 1HG ARG 52 11.486 -3.744 7.981 448 HD2 ARG 52 2HD ARG 52 12.727 -4.692 9.755 449 HD3 ARG 52 1HD ARG 52 12.351 -6.017 8.656 450 HE ARG 52 HE ARG 52 14.892 -4.827 8.110 451 HH11 ARG 52 1HH1 ARG 52 13.231 -7.121 10.149 452 HH12 ARG 52 2HH1 ARG 52 14.656 -8.049 10.479 453 HH21 ARG 52 1HH2 ARG 52 16.767 -6.046 8.544 454 HH22 ARG 52 2HH2 ARG 52 16.663 -7.438 9.569 455 H ASN 53 H ASN 53 12.180 -6.745 4.440 456 HA ASN 53 HA ASN 53 12.116 -5.476 1.920 457 HB2 ASN 53 2HB ASN 53 13.573 -7.479 2.861 458 HB3 ASN 53 1HB ASN 53 12.311 -8.450 2.110 459 HD21 ASN 53 1HD2 ASN 53 15.248 -7.088 1.627 460 HD22 ASN 53 2HD2 ASN 53 15.249 -6.996 -0.098 461 H ALA 54 H ALA 54 10.133 -8.080 3.305 462 HA ALA 54 HA ALA 54 8.557 -8.614 1.072 463 HB1 ALA 54 1HB ALA 54 8.561 -9.315 3.838 464 HB2 ALA 54 2HB ALA 54 7.813 -10.156 2.481 465 HB3 ALA 54 3HB ALA 54 6.915 -8.912 3.349 466 H PHE 55 H PHE 55 7.986 -6.306 3.721 467 HA PHE 55 HA PHE 55 5.501 -5.363 2.854 468 HB2 PHE 55 2HB PHE 55 6.465 -4.887 5.082 469 HB3 PHE 55 1HB PHE 55 7.645 -3.819 4.331 470 HD1 PHE 55 1HD PHE 55 4.042 -4.298 4.983 471 HD2 PHE 55 2HD PHE 55 7.102 -1.594 3.786 472 HE1 PHE 55 1HE PHE 55 2.456 -2.425 5.173 473 HE2 PHE 55 2HE PHE 55 5.523 0.283 3.976 474 HZ PHE 55 HZ PHE 55 3.197 -0.131 4.670 475 H ARG 56 H ARG 56 8.775 -4.386 1.984 476 HA ARG 56 HA ARG 56 8.130 -2.082 0.517 477 HB2 ARG 56 2HB ARG 56 10.441 -3.986 0.517 478 HB3 ARG 56 1HB ARG 56 10.330 -2.764 -0.742 479 HG2 ARG 56 2HG ARG 56 9.948 -1.770 1.994 480 HG3 ARG 56 1HG ARG 56 11.555 -2.407 1.638 481 HD2 ARG 56 2HD ARG 56 11.271 -0.941 -0.538 482 HD3 ARG 56 1HD ARG 56 10.136 -0.058 0.483 483 HE ARG 56 HE ARG 56 11.933 0.876 1.510 484 HH11 ARG 56 1HH1 ARG 56 12.930 -2.202 0.198 485 HH12 ARG 56 2HH1 ARG 56 14.579 -2.021 0.696 486 HH21 ARG 56 1HH2 ARG 56 14.101 1.115 2.165 487 HH22 ARG 56 2HH2 ARG 56 15.244 -0.139 1.813 488 H ILE 57 H ILE 57 8.341 -5.480 -0.425 489 HA ILE 57 HA ILE 57 7.942 -5.078 -3.197 490 HB ILE 57 HB ILE 57 7.221 -7.532 -1.591 491 HG12 ILE 57 2HG1 ILE 57 9.797 -7.210 -3.086 492 HG13 ILE 57 1HG1 ILE 57 9.647 -6.529 -1.470 493 HG21 ILE 57 1HG2 ILE 57 6.920 -6.896 -4.336 494 HG22 ILE 57 2HG2 ILE 57 6.603 -8.429 -3.523 495 HG23 ILE 57 3HG2 ILE 57 8.199 -8.103 -4.200 496 HD11 ILE 57 3HD1 ILE 57 9.841 -8.523 -0.503 497 HD12 ILE 57 1HD1 ILE 57 10.421 -9.080 -2.072 498 HD13 ILE 57 2HD1 ILE 57 8.725 -9.282 -1.638 499 H GLN 58 H GLN 58 5.740 -5.561 -0.490 500 HA GLN 58 HA GLN 58 3.386 -5.954 -1.987 501 HB2 GLN 58 2HB GLN 58 3.847 -4.896 0.802 502 HB3 GLN 58 1HB GLN 58 2.241 -5.162 0.134 503 HG2 GLN 58 2HG GLN 58 2.791 -7.534 -0.191 504 HG3 GLN 58 1HG GLN 58 4.369 -7.251 0.541 505 HE21 GLN 58 1HE2 GLN 58 4.546 -7.495 2.659 506 HE22 GLN 58 2HE2 GLN 58 3.232 -7.604 3.775 507 H VAL 59 H VAL 59 4.841 -3.025 -0.607 508 HA VAL 59 HA VAL 59 2.797 -1.279 -1.549 509 HB VAL 59 HB VAL 59 5.630 -0.525 -0.828 510 HG11 VAL 59 1HG1 VAL 59 4.968 1.545 -1.279 511 HG12 VAL 59 2HG1 VAL 59 3.735 1.408 -0.025 512 HG13 VAL 59 3HG1 VAL 59 3.353 0.968 -1.690 513 HG21 VAL 59 3HG2 VAL 59 4.183 0.048 1.386 514 HG22 VAL 59 1HG2 VAL 59 5.116 -1.433 1.169 515 HG23 VAL 59 2HG2 VAL 59 3.383 -1.427 0.843 516 H GLU 60 H GLU 60 5.919 -2.330 -2.799 517 HA GLU 60 HA GLU 60 6.149 -0.502 -4.913 518 HB2 GLU 60 2HB GLU 60 7.302 -3.169 -4.280 519 HB3 GLU 60 1HB GLU 60 7.432 -2.608 -5.941 520 HG2 GLU 60 2HG GLU 60 8.186 -0.611 -3.944 521 HG3 GLU 60 1HG GLU 60 9.198 -2.054 -3.947 522 H LYS 61 H LYS 61 4.725 -3.755 -4.808 523 HA LYS 61 HA LYS 61 3.882 -3.692 -7.539 524 HB2 LYS 61 2HB LYS 61 3.617 -5.538 -5.243 525 HB3 LYS 61 1HB LYS 61 2.332 -5.624 -6.440 526 HG2 LYS 61 2HG LYS 61 4.051 -7.240 -6.943 527 HG3 LYS 61 1HG LYS 61 4.011 -5.995 -8.193 528 HD2 LYS 61 2HD LYS 61 6.073 -5.240 -7.684 529 HD3 LYS 61 1HD LYS 61 5.834 -5.456 -5.950 530 HE2 LYS 61 2HE LYS 61 7.385 -7.083 -6.294 531 HE3 LYS 61 1HE LYS 61 5.930 -8.016 -6.645 532 HZ1 LYS 61 3HZ LYS 61 6.283 -7.404 -9.028 533 HZ2 LYS 61 1HZ LYS 61 7.466 -8.425 -8.377 534 HZ3 LYS 61 2HZ LYS 61 7.793 -6.780 -8.593 535 H VAL 62 H VAL 62 2.458 -2.837 -4.462 536 HA VAL 62 HA VAL 62 -0.215 -2.594 -5.438 537 HB VAL 62 HB VAL 62 1.154 -1.766 -2.900 538 HG11 VAL 62 1HG1 VAL 62 -0.239 0.037 -2.907 539 HG12 VAL 62 2HG1 VAL 62 -1.357 -1.168 -2.265 540 HG13 VAL 62 3HG1 VAL 62 -1.413 -0.734 -3.974 541 HG21 VAL 62 3HG2 VAL 62 -0.264 -4.032 -3.789 542 HG22 VAL 62 1HG2 VAL 62 -1.290 -3.224 -2.603 543 HG23 VAL 62 2HG2 VAL 62 0.349 -3.703 -2.169 544 H PHE 63 H PHE 63 2.546 -0.464 -5.189 545 HA PHE 63 HA PHE 63 1.116 1.960 -5.623 546 HB2 PHE 63 2HB PHE 63 3.379 1.859 -4.602 547 HB3 PHE 63 1HB PHE 63 4.034 1.364 -6.160 548 HD1 PHE 63 2HD PHE 63 2.539 4.128 -4.266 549 HD2 PHE 63 1HD PHE 63 4.348 2.940 -7.930 550 HE1 PHE 63 2HE PHE 63 2.815 6.492 -4.892 551 HE2 PHE 63 1HE PHE 63 4.628 5.301 -8.562 552 HZ PHE 63 HZ PHE 63 3.859 7.081 -7.042 553 H SER 64 H SER 64 2.814 -0.313 -7.726 554 HA SER 64 HA SER 64 2.432 1.235 -10.099 555 HB2 SER 64 2HB SER 64 3.344 -0.685 -11.273 556 HB3 SER 64 1HB SER 64 4.294 -0.387 -9.818 557 HG SER 64 HG SER 64 3.500 -2.170 -8.907 558 H ILE 65 H ILE 65 0.669 -1.326 -8.481 559 HA ILE 65 HA ILE 65 -1.047 -1.886 -10.702 560 HB ILE 65 HB ILE 65 -0.492 -3.489 -8.827 561 HG12 ILE 65 2HG1 ILE 65 -3.410 -3.045 -9.488 562 HG13 ILE 65 1HG1 ILE 65 -2.253 -3.914 -10.490 563 HG21 ILE 65 1HG2 ILE 65 -1.651 -3.412 -6.779 564 HG22 ILE 65 2HG2 ILE 65 -2.713 -2.120 -7.339 565 HG23 ILE 65 3HG2 ILE 65 -1.010 -1.791 -7.031 566 HD11 ILE 65 3HD1 ILE 65 -3.303 -5.644 -9.439 567 HD12 ILE 65 1HD1 ILE 65 -3.557 -4.733 -7.951 568 HD13 ILE 65 2HD1 ILE 65 -1.957 -5.368 -8.332 569 H ILE 66 H ILE 66 -1.397 0.018 -7.723 570 HA ILE 66 HA ILE 66 -4.089 0.648 -7.906 571 HB ILE 66 HB ILE 66 -3.548 2.736 -6.668 572 HG12 ILE 66 2HG1 ILE 66 -0.691 1.793 -6.976 573 HG13 ILE 66 1HG1 ILE 66 -1.386 3.203 -7.765 574 HG21 ILE 66 1HG2 ILE 66 -2.210 1.385 -4.808 575 HG22 ILE 66 2HG2 ILE 66 -2.668 0.033 -5.844 576 HG23 ILE 66 3HG2 ILE 66 -3.911 1.079 -5.161 577 HD11 ILE 66 3HD1 ILE 66 -1.948 3.854 -5.265 578 HD12 ILE 66 1HD1 ILE 66 -0.391 4.218 -6.004 579 HD13 ILE 66 2HD1 ILE 66 -0.561 2.812 -4.952 580 H SER 67 H SER 67 -1.363 2.047 -9.627 581 HA SER 67 HA SER 67 -2.848 4.237 -10.712 582 HB2 SER 67 2HB SER 67 -0.288 4.030 -10.390 583 HB3 SER 67 1HB SER 67 -0.317 3.154 -11.920 584 HG SER 67 HG SER 67 -0.177 5.700 -11.673 585 H SER 68 H SER 68 -1.637 1.185 -12.089 586 HA SER 68 HA SER 68 -2.916 1.605 -14.605 587 HB2 SER 68 2HB SER 68 -0.874 0.250 -14.380 588 HB3 SER 68 1HB SER 68 -1.769 -0.934 -13.426 589 HG SER 68 HG SER 68 -1.481 -1.076 -15.929 590 H GLU 69 H GLU 69 -3.605 -0.601 -11.883 591 HA GLU 69 HA GLU 69 -5.893 -1.754 -13.030 592 HB2 GLU 69 2HB GLU 69 -4.708 -2.829 -11.217 593 HB3 GLU 69 1HB GLU 69 -5.053 -1.479 -10.144 594 HG2 GLU 69 2HG GLU 69 -7.081 -2.237 -9.646 595 HG3 GLU 69 1HG GLU 69 -7.433 -2.675 -11.316 596 H LYS 70 H LYS 70 -5.589 0.871 -10.629 597 HA LYS 70 HA LYS 70 -8.440 1.361 -10.748 598 HB2 LYS 70 2HB LYS 70 -6.359 1.872 -8.884 599 HB3 LYS 70 1HB LYS 70 -7.057 3.422 -9.333 600 HG2 LYS 70 2HG LYS 70 -8.358 2.816 -7.543 601 HG3 LYS 70 1HG LYS 70 -9.320 2.225 -8.898 602 HD2 LYS 70 2HD LYS 70 -8.977 0.051 -8.367 603 HD3 LYS 70 1HD LYS 70 -7.329 0.342 -7.804 604 HE2 LYS 70 2HE LYS 70 -8.671 -0.317 -5.928 605 HE3 LYS 70 1HE LYS 70 -8.275 1.394 -5.761 606 HZ1 LYS 70 3HZ LYS 70 -10.736 0.403 -5.505 607 HZ2 LYS 70 1HZ LYS 70 -10.757 0.821 -7.144 608 HZ3 LYS 70 2HZ LYS 70 -10.413 1.995 -5.976 609 H GLU 71 H GLU 71 -5.492 3.255 -11.419 610 HA GLU 71 HA GLU 71 -5.173 5.166 -12.632 611 HB2 GLU 71 2HB GLU 71 -5.810 4.991 -14.938 612 HB3 GLU 71 1HB GLU 71 -5.393 3.383 -14.368 613 HG2 GLU 71 2HG GLU 71 -7.659 2.722 -14.282 614 HG3 GLU 71 1HG GLU 71 -8.222 4.378 -14.494 615 H LEU 72 H LEU 72 -6.756 6.612 -14.382 616 HA LEU 72 HA LEU 72 -8.199 8.269 -12.665 617 HB2 LEU 72 2HB LEU 72 -8.094 7.962 -15.641 618 HB3 LEU 72 1HB LEU 72 -9.259 9.056 -14.918 619 HG LEU 72 HG LEU 72 -6.306 9.242 -14.358 620 HD11 LEU 72 1HD1 LEU 72 -6.365 11.151 -15.990 621 HD12 LEU 72 2HD1 LEU 72 -7.926 10.537 -16.537 622 HD13 LEU 72 3HD1 LEU 72 -6.478 9.542 -16.704 623 HD21 LEU 72 3HD2 LEU 72 -7.410 10.442 -12.718 624 HD22 LEU 72 1HD2 LEU 72 -8.709 10.931 -13.806 625 HD23 LEU 72 2HD2 LEU 72 -7.115 11.671 -13.948 626 H LYS 73 H LYS 73 -10.377 8.548 -12.251 627 HA LYS 73 HA LYS 73 -12.536 7.937 -11.878 628 HB2 LYS 73 2HB LYS 73 -12.240 6.453 -14.495 629 HB3 LYS 73 1HB LYS 73 -13.758 6.849 -13.702 630 HG2 LYS 73 2HG LYS 73 -13.112 9.272 -13.918 631 HG3 LYS 73 1HG LYS 73 -11.785 8.739 -14.953 632 HD2 LYS 73 2HD LYS 73 -13.512 9.292 -16.440 633 HD3 LYS 73 1HD LYS 73 -13.570 7.532 -16.325 634 HE2 LYS 73 2HE LYS 73 -15.230 9.089 -14.423 635 HE3 LYS 73 1HE LYS 73 -15.745 9.052 -16.109 636 HZ1 LYS 73 3HZ LYS 73 -15.242 6.474 -15.687 637 HZ2 LYS 73 1HZ LYS 73 -16.763 7.177 -15.442 638 HZ3 LYS 73 2HZ LYS 73 -15.724 6.927 -14.131 639 H ASN 74 H ASN 74 -14.029 5.842 -11.864 640 HA ASN 74 HA ASN 74 -12.643 3.960 -10.194 641 HB2 ASN 74 2HB ASN 74 -15.129 4.858 -10.077 642 HB3 ASN 74 1HB ASN 74 -15.440 3.484 -11.134 643 HD21 ASN 74 1HD2 ASN 74 -14.785 1.371 -10.369 644 HD22 ASN 74 2HD2 ASN 74 -14.809 1.043 -8.672 Start of MODEL 8 1 H MET 1 H MET 1 -23.863 -8.555 2.507 2 HA MET 1 HA MET 1 -22.395 -6.115 1.830 3 HB2 MET 1 2HB MET 1 -24.044 -7.027 4.198 4 HB3 MET 1 1HB MET 1 -23.264 -5.458 4.055 5 HG2 MET 1 2HG MET 1 -24.649 -5.235 1.884 6 HG3 MET 1 1HG MET 1 -25.620 -6.535 2.572 7 HE1 MET 1 2HE MET 1 -25.775 -2.661 2.312 8 HE2 MET 1 3HE MET 1 -27.414 -2.970 2.887 9 HE3 MET 1 1HE MET 1 -26.707 -4.001 1.644 10 H LYS 2 H LYS 2 -20.284 -6.158 2.216 11 HA LYS 2 HA LYS 2 -19.263 -7.980 4.290 12 HB2 LYS 2 2HB LYS 2 -18.197 -7.099 1.657 13 HB3 LYS 2 1HB LYS 2 -17.034 -7.376 2.947 14 HG2 LYS 2 2HG LYS 2 -17.197 -9.389 1.719 15 HG3 LYS 2 1HG LYS 2 -18.050 -9.651 3.243 16 HD2 LYS 2 2HD LYS 2 -19.750 -10.384 1.990 17 HD3 LYS 2 1HD LYS 2 -20.025 -8.689 1.583 18 HE2 LYS 2 2HE LYS 2 -19.742 -9.310 -0.543 19 HE3 LYS 2 1HE LYS 2 -18.025 -9.430 -0.157 20 HZ1 LYS 2 3HZ LYS 2 -20.014 -11.634 -0.071 21 HZ2 LYS 2 1HZ LYS 2 -18.403 -11.775 0.431 22 HZ3 LYS 2 2HZ LYS 2 -18.759 -11.450 -1.190 23 HA PRO 3 HA PRO 3 -17.984 -4.460 6.635 24 HB2 PRO 3 2HB PRO 3 -16.008 -5.547 8.122 25 HB3 PRO 3 1HB PRO 3 -17.713 -5.935 8.383 26 HG2 PRO 3 2HG PRO 3 -15.622 -7.487 6.905 27 HG3 PRO 3 1HG PRO 3 -16.855 -8.070 8.038 28 HD2 PRO 3 2HD PRO 3 -17.123 -8.252 5.339 29 HD3 PRO 3 1HD PRO 3 -18.506 -8.070 6.437 30 H ARG 4 H ARG 4 -17.116 -3.075 5.078 31 HA ARG 4 HA ARG 4 -15.515 -1.866 4.006 32 HB2 ARG 4 2HB ARG 4 -14.614 -1.695 6.305 33 HB3 ARG 4 1HB ARG 4 -13.662 -3.146 6.024 34 HG2 ARG 4 2HG ARG 4 -12.065 -1.633 5.539 35 HG3 ARG 4 1HG ARG 4 -12.828 -1.684 3.949 36 HD2 ARG 4 2HD ARG 4 -13.755 0.250 6.042 37 HD3 ARG 4 1HD ARG 4 -12.354 0.610 5.039 38 HE ARG 4 HE ARG 4 -13.747 0.744 3.162 39 HH11 ARG 4 1HH1 ARG 4 -15.564 -0.005 6.054 40 HH12 ARG 4 2HH1 ARG 4 -17.088 0.409 5.348 41 HH21 ARG 4 1HH2 ARG 4 -15.753 1.285 2.241 42 HH22 ARG 4 2HH2 ARG 4 -17.196 1.139 3.187 43 HA PRO 5 HA PRO 5 -14.502 -5.450 1.274 44 HB2 PRO 5 2HB PRO 5 -14.495 -3.145 -0.613 45 HB3 PRO 5 1HB PRO 5 -15.233 -4.741 -0.789 46 HG2 PRO 5 2HG PRO 5 -16.730 -2.604 -0.260 47 HG3 PRO 5 1HG PRO 5 -17.083 -4.173 0.489 48 HD2 PRO 5 2HD PRO 5 -15.793 -1.754 1.670 49 HD3 PRO 5 1HD PRO 5 -16.897 -2.925 2.419 50 H GLY 6 H GLY 6 -12.612 -5.897 0.009 51 HA2 GLY 6 2HA GLY 6 -10.436 -5.506 -0.765 52 HA3 GLY 6 1HA GLY 6 -10.465 -3.932 0.016 53 H VAL 7 H VAL 7 -10.668 -7.358 0.988 54 HA VAL 7 HA VAL 7 -8.473 -6.892 2.869 55 HB VAL 7 HB VAL 7 -10.996 -8.314 3.714 56 HG11 VAL 7 1HG1 VAL 7 -9.924 -7.889 5.997 57 HG12 VAL 7 2HG1 VAL 7 -8.444 -7.554 5.099 58 HG13 VAL 7 3HG1 VAL 7 -9.208 -9.139 4.981 59 HG21 VAL 7 3HG2 VAL 7 -11.421 -5.914 3.349 60 HG22 VAL 7 1HG2 VAL 7 -10.102 -5.530 4.456 61 HG23 VAL 7 2HG2 VAL 7 -11.537 -6.367 5.049 62 H PHE 8 H PHE 8 -7.668 -8.112 0.838 63 HA PHE 8 HA PHE 8 -7.728 -10.978 1.480 64 HB2 PHE 8 2HB PHE 8 -9.181 -10.392 -0.525 65 HB3 PHE 8 1HB PHE 8 -7.694 -9.948 -1.357 66 HD1 PHE 8 1HD PHE 8 -9.176 -12.788 0.549 67 HD2 PHE 8 2HD PHE 8 -6.613 -11.543 -2.611 68 HE1 PHE 8 1HE PHE 8 -8.849 -15.137 -0.105 69 HE2 PHE 8 2HE PHE 8 -6.282 -13.889 -3.273 70 HZ PHE 8 HZ PHE 8 -7.401 -15.690 -2.019 71 H VAL 9 H VAL 9 -5.736 -11.405 2.164 72 HA VAL 9 HA VAL 9 -3.476 -11.675 2.169 73 HB VAL 9 HB VAL 9 -3.505 -10.570 -0.643 74 HG11 VAL 9 1HG1 VAL 9 -1.392 -11.597 -0.922 75 HG12 VAL 9 2HG1 VAL 9 -1.527 -12.458 0.612 76 HG13 VAL 9 3HG1 VAL 9 -1.311 -10.707 0.599 77 HG21 VAL 9 3HG2 VAL 9 -3.327 -13.479 -0.216 78 HG22 VAL 9 1HG2 VAL 9 -4.167 -12.562 -1.467 79 HG23 VAL 9 2HG2 VAL 9 -4.898 -12.753 0.127 80 H ASP 10 H ASP 10 -3.825 -8.786 0.102 81 HA ASP 10 HA ASP 10 -2.913 -7.060 2.233 82 HB2 ASP 10 2HB ASP 10 -1.185 -7.723 -0.140 83 HB3 ASP 10 1HB ASP 10 -1.032 -6.180 0.694 84 H ARG 11 H ARG 11 -5.260 -7.314 0.531 85 HA ARG 11 HA ARG 11 -5.316 -5.439 -1.543 86 HB2 ARG 11 2HB ARG 11 -7.082 -7.194 -0.830 87 HB3 ARG 11 1HB ARG 11 -7.679 -5.937 0.244 88 HG2 ARG 11 2HG ARG 11 -8.524 -4.696 -1.449 89 HG3 ARG 11 1HG ARG 11 -7.262 -5.181 -2.582 90 HD2 ARG 11 2HD ARG 11 -9.220 -7.227 -1.661 91 HD3 ARG 11 1HD ARG 11 -9.746 -6.029 -2.843 92 HE ARG 11 HE ARG 11 -7.272 -7.297 -3.546 93 HH11 ARG 11 1HH1 ARG 11 -10.747 -7.588 -3.665 94 HH12 ARG 11 2HH1 ARG 11 -10.738 -8.635 -5.043 95 HH21 ARG 11 1HH2 ARG 11 -7.257 -8.674 -5.360 96 HH22 ARG 11 2HH2 ARG 11 -8.756 -9.253 -6.005 97 H LYS 12 H LYS 12 -5.525 -5.057 1.919 98 HA LYS 12 HA LYS 12 -6.638 -2.523 2.127 99 HB2 LYS 12 2HB LYS 12 -5.449 -2.346 4.266 100 HB3 LYS 12 1HB LYS 12 -6.185 -3.928 4.062 101 HG2 LYS 12 2HG LYS 12 -3.759 -4.467 3.090 102 HG3 LYS 12 1HG LYS 12 -3.341 -3.170 4.210 103 HD2 LYS 12 2HD LYS 12 -5.022 -5.539 5.003 104 HD3 LYS 12 1HD LYS 12 -3.263 -5.526 5.139 105 HE2 LYS 12 2HE LYS 12 -3.299 -4.212 6.955 106 HE3 LYS 12 1HE LYS 12 -4.553 -3.168 6.288 107 HZ1 LYS 12 3HZ LYS 12 -5.209 -5.867 7.285 108 HZ2 LYS 12 1HZ LYS 12 -6.227 -4.527 7.096 109 HZ3 LYS 12 2HZ LYS 12 -5.093 -4.558 8.351 110 H LEU 13 H LEU 13 -3.325 -3.484 1.448 111 HA LEU 13 HA LEU 13 -2.070 -1.007 1.657 112 HB2 LEU 13 2HB LEU 13 -1.207 -3.470 1.085 113 HB3 LEU 13 1HB LEU 13 -1.233 -2.821 -0.544 114 HG LEU 13 HG LEU 13 0.978 -2.557 0.324 115 HD11 LEU 13 1HD1 LEU 13 0.047 -0.698 -1.016 116 HD12 LEU 13 2HD1 LEU 13 1.298 -0.182 0.115 117 HD13 LEU 13 3HD1 LEU 13 -0.401 0.117 0.482 118 HD21 LEU 13 3HD2 LEU 13 0.281 -0.733 2.516 119 HD22 LEU 13 1HD2 LEU 13 1.510 -1.994 2.433 120 HD23 LEU 13 2HD2 LEU 13 -0.166 -2.418 2.781 121 H LYS 14 H LYS 14 -3.874 -2.426 -1.020 122 HA LYS 14 HA LYS 14 -3.286 -0.299 -2.846 123 HB2 LYS 14 2HB LYS 14 -3.974 -2.713 -3.408 124 HB3 LYS 14 1HB LYS 14 -5.620 -2.187 -3.074 125 HG2 LYS 14 2HG LYS 14 -5.083 -0.299 -4.773 126 HG3 LYS 14 1HG LYS 14 -3.788 -1.381 -5.288 127 HD2 LYS 14 2HD LYS 14 -5.682 -1.828 -6.666 128 HD3 LYS 14 1HD LYS 14 -5.519 -3.179 -5.542 129 HE2 LYS 14 2HE LYS 14 -7.310 -2.391 -4.200 130 HE3 LYS 14 1HE LYS 14 -7.340 -0.838 -5.034 131 HZ1 LYS 14 3HZ LYS 14 -7.974 -3.434 -6.329 132 HZ2 LYS 14 1HZ LYS 14 -8.159 -1.891 -6.998 133 HZ3 LYS 14 2HZ LYS 14 -9.138 -2.375 -5.707 134 H GLN 15 H GLN 15 -6.194 -1.248 -1.020 135 HA GLN 15 HA GLN 15 -7.790 0.925 -1.778 136 HB2 GLN 15 2HB GLN 15 -8.680 -1.108 -0.726 137 HB3 GLN 15 1HB GLN 15 -7.881 -0.681 0.780 138 HG2 GLN 15 2HG GLN 15 -9.570 0.609 1.392 139 HG3 GLN 15 1HG GLN 15 -9.521 1.493 -0.132 140 HE21 GLN 15 1HE2 GLN 15 -11.545 1.585 -0.821 141 HE22 GLN 15 2HE2 GLN 15 -12.621 0.242 -0.974 142 H ARG 16 H ARG 16 -5.593 0.503 0.961 143 HA ARG 16 HA ARG 16 -6.201 2.949 2.237 144 HB2 ARG 16 2HB ARG 16 -4.912 0.867 3.123 145 HB3 ARG 16 1HB ARG 16 -3.503 1.645 2.414 146 HG2 ARG 16 2HG ARG 16 -3.501 2.298 4.658 147 HG3 ARG 16 1HG ARG 16 -4.134 3.690 3.780 148 HD2 ARG 16 2HD ARG 16 -5.565 3.479 5.613 149 HD3 ARG 16 1HD ARG 16 -6.448 2.719 4.290 150 HE ARG 16 HE ARG 16 -4.869 0.881 5.838 151 HH11 ARG 16 1HH1 ARG 16 -7.950 2.500 5.585 152 HH12 ARG 16 2HH1 ARG 16 -8.793 1.308 6.515 153 HH21 ARG 16 1HH2 ARG 16 -5.977 -0.690 7.059 154 HH22 ARG 16 2HH2 ARG 16 -7.674 -0.503 7.352 155 H VAL 17 H VAL 17 -3.652 2.021 -0.050 156 HA VAL 17 HA VAL 17 -2.356 4.525 -0.112 157 HB VAL 17 HB VAL 17 -2.382 2.168 -1.974 158 HG11 VAL 17 1HG1 VAL 17 -0.370 3.520 -3.034 159 HG12 VAL 17 2HG1 VAL 17 -1.353 4.898 -2.538 160 HG13 VAL 17 3HG1 VAL 17 -2.019 3.689 -3.636 161 HG21 VAL 17 3HG2 VAL 17 -1.101 2.329 0.257 162 HG22 VAL 17 1HG2 VAL 17 -0.020 3.413 -0.621 163 HG23 VAL 17 2HG2 VAL 17 -0.241 1.752 -1.171 164 H ILE 18 H ILE 18 -4.722 3.087 -2.379 165 HA ILE 18 HA ILE 18 -4.910 5.224 -4.135 166 HB ILE 18 HB ILE 18 -7.081 4.380 -4.806 167 HG12 ILE 18 2HG1 ILE 18 -6.926 2.594 -2.368 168 HG13 ILE 18 1HG1 ILE 18 -7.997 3.979 -2.541 169 HG21 ILE 18 1HG2 ILE 18 -5.882 2.865 -5.893 170 HG22 ILE 18 2HG2 ILE 18 -6.137 1.755 -4.546 171 HG23 ILE 18 3HG2 ILE 18 -4.705 2.786 -4.582 172 HD11 ILE 18 3HD1 ILE 18 -8.045 1.471 -4.201 173 HD12 ILE 18 1HD1 ILE 18 -9.095 2.868 -4.431 174 HD13 ILE 18 2HD1 ILE 18 -9.197 1.925 -2.945 175 H GLN 19 H GLN 19 -6.539 4.720 -1.053 176 HA GLN 19 HA GLN 19 -8.277 6.968 -1.298 177 HB2 GLN 19 2HB GLN 19 -7.416 5.264 1.034 178 HB3 GLN 19 1HB GLN 19 -8.494 6.640 1.230 179 HG2 GLN 19 2HG GLN 19 -9.223 4.669 -0.845 180 HG3 GLN 19 1HG GLN 19 -9.358 4.151 0.835 181 HE21 GLN 19 1HE2 GLN 19 -11.262 4.473 1.708 182 HE22 GLN 19 2HE2 GLN 19 -12.389 5.711 1.281 183 H TYR 20 H TYR 20 -5.032 6.476 -0.105 184 HA TYR 20 HA TYR 20 -4.844 8.962 1.289 185 HB2 TYR 20 2HB TYR 20 -2.957 6.796 0.510 186 HB3 TYR 20 1HB TYR 20 -2.272 8.373 0.891 187 HD1 TYR 20 2HD TYR 20 -4.007 9.298 3.064 188 HD2 TYR 20 1HD TYR 20 -2.419 5.424 2.309 189 HE1 TYR 20 2HE TYR 20 -4.148 8.780 5.463 190 HE2 TYR 20 1HE TYR 20 -2.556 4.895 4.707 191 HH TYR 20 HH TYR 20 -3.073 7.241 7.081 192 H LEU 21 H LEU 21 -3.958 7.865 -1.955 193 HA LEU 21 HA LEU 21 -2.676 10.313 -2.680 194 HB2 LEU 21 2HB LEU 21 -3.836 8.479 -4.729 195 HB3 LEU 21 1HB LEU 21 -2.343 9.391 -4.777 196 HG LEU 21 HG LEU 21 -2.332 7.339 -2.700 197 HD11 LEU 21 1HD1 LEU 21 -3.645 6.555 -4.991 198 HD12 LEU 21 2HD1 LEU 21 -2.849 5.492 -3.833 199 HD13 LEU 21 3HD1 LEU 21 -1.985 6.032 -5.271 200 HD21 LEU 21 3HD2 LEU 21 -0.493 7.575 -5.051 201 HD22 LEU 21 1HD2 LEU 21 -0.147 6.995 -3.421 202 HD23 LEU 21 2HD2 LEU 21 -0.415 8.716 -3.708 203 H SER 22 H SER 22 -5.868 8.905 -3.325 204 HA SER 22 HA SER 22 -6.846 10.986 -4.936 205 HB2 SER 22 2HB SER 22 -7.802 8.559 -4.209 206 HB3 SER 22 1HB SER 22 -8.798 9.601 -3.191 207 HG SER 22 HG SER 22 -8.972 9.145 -5.838 208 H SER 23 H SER 23 -7.234 10.405 -1.445 209 HA SER 23 HA SER 23 -8.761 12.686 -0.890 210 HB2 SER 23 2HB SER 23 -8.419 10.747 0.661 211 HB3 SER 23 1HB SER 23 -6.791 11.347 0.978 212 HG SER 23 HG SER 23 -9.247 12.326 1.820 213 H ASN 24 H ASN 24 -5.293 12.216 -1.156 214 HA ASN 24 HA ASN 24 -4.863 15.021 -1.522 215 HB2 ASN 24 2HB ASN 24 -3.241 15.235 0.388 216 HB3 ASN 24 1HB ASN 24 -4.929 15.112 0.872 217 HD21 ASN 24 1HD2 ASN 24 -5.690 12.966 1.517 218 HD22 ASN 24 2HD2 ASN 24 -4.594 11.916 2.341 219 H ARG 25 H ARG 25 -2.682 15.514 -2.165 220 HA ARG 25 HA ARG 25 -1.519 13.510 -3.771 221 HB2 ARG 25 2HB ARG 25 -0.428 16.176 -2.859 222 HB3 ARG 25 1HB ARG 25 0.330 15.163 -4.079 223 HG2 ARG 25 2HG ARG 25 -0.844 16.591 -5.409 224 HG3 ARG 25 1HG ARG 25 -2.039 15.308 -5.206 225 HD2 ARG 25 2HD ARG 25 -3.442 16.648 -4.096 226 HD3 ARG 25 1HD ARG 25 -2.150 17.306 -3.091 227 HE ARG 25 HE ARG 25 -2.131 18.315 -5.778 228 HH11 ARG 25 1HH1 ARG 25 -3.500 18.716 -2.592 229 HH12 ARG 25 2HH1 ARG 25 -3.868 20.392 -2.825 230 HH21 ARG 25 1HH2 ARG 25 -2.613 20.520 -6.085 231 HH22 ARG 25 2HH2 ARG 25 -3.366 21.416 -4.808 232 H CYS 26 H CYS 26 -0.855 14.635 -0.525 233 HA CYS 26 HA CYS 26 0.535 13.889 1.113 234 HB2 CYS 26 2HB CYS 26 -0.675 11.739 0.441 235 HB3 CYS 26 1HB CYS 26 0.783 11.325 -0.453 236 HG CYS 26 HG CYS 26 0.481 11.293 2.602 237 H GLY 27 H GLY 27 1.729 15.407 -0.905 238 HA2 GLY 27 2HA GLY 27 4.120 15.931 -0.785 239 HA3 GLY 27 1HA GLY 27 4.431 14.211 -0.967 240 H LYS 28 H LYS 28 1.943 15.755 -2.842 241 HA LYS 28 HA LYS 28 1.732 16.235 -5.054 242 HB2 LYS 28 2HB LYS 28 4.071 17.388 -4.434 243 HB3 LYS 28 1HB LYS 28 4.656 16.186 -5.576 244 HG2 LYS 28 2HG LYS 28 4.121 17.578 -7.212 245 HG3 LYS 28 1HG LYS 28 2.423 17.335 -6.798 246 HD2 LYS 28 2HD LYS 28 2.577 19.621 -6.640 247 HD3 LYS 28 1HD LYS 28 2.935 19.156 -4.976 248 HE2 LYS 28 2HE LYS 28 4.900 20.180 -5.109 249 HE3 LYS 28 1HE LYS 28 5.368 19.119 -6.437 250 HZ1 LYS 28 3HZ LYS 28 4.492 20.642 -8.010 251 HZ2 LYS 28 1HZ LYS 28 5.452 21.541 -6.946 252 HZ3 LYS 28 2HZ LYS 28 3.766 21.587 -6.809 253 H TYR 29 H TYR 29 4.726 14.295 -4.989 254 HA TYR 29 HA TYR 29 3.302 12.149 -6.391 255 HB2 TYR 29 2HB TYR 29 5.907 13.404 -7.271 256 HB3 TYR 29 1HB TYR 29 5.295 11.876 -7.896 257 HD1 TYR 29 1HD TYR 29 4.186 15.416 -7.432 258 HD2 TYR 29 2HD TYR 29 4.059 11.916 -9.846 259 HE1 TYR 29 1HE TYR 29 2.887 16.638 -9.124 260 HE2 TYR 29 2HE TYR 29 2.760 13.128 -11.546 261 HH TYR 29 HH TYR 29 1.247 16.036 -10.975 262 H VAL 30 H VAL 30 3.391 10.634 -4.823 263 HA VAL 30 HA VAL 30 5.775 10.254 -3.232 264 HB VAL 30 HB VAL 30 3.459 8.346 -3.244 265 HG11 VAL 30 1HG1 VAL 30 5.477 7.833 -1.927 266 HG12 VAL 30 2HG1 VAL 30 4.048 8.058 -0.917 267 HG13 VAL 30 3HG1 VAL 30 5.254 9.338 -1.036 268 HG21 VAL 30 3HG2 VAL 30 2.403 9.786 -1.498 269 HG22 VAL 30 1HG2 VAL 30 2.370 10.474 -3.121 270 HG23 VAL 30 2HG2 VAL 30 3.538 11.061 -1.938 271 H ASP 31 H ASP 31 7.321 8.760 -3.514 272 HA ASP 31 HA ASP 31 7.206 7.120 -5.917 273 HB2 ASP 31 2HB ASP 31 9.227 8.574 -4.932 274 HB3 ASP 31 1HB ASP 31 9.576 7.050 -4.120 275 H THR 32 H THR 32 8.350 4.885 -5.639 276 HA THR 32 HA THR 32 6.656 3.251 -4.123 277 HB THR 32 HB THR 32 8.882 1.685 -4.525 278 HG1 THR 32 1HG THR 32 10.069 3.216 -5.567 279 HG21 THR 32 3HG2 THR 32 7.742 0.683 -6.244 280 HG22 THR 32 1HG2 THR 32 7.072 2.205 -6.832 281 HG23 THR 32 2HG2 THR 32 6.436 1.472 -5.359 282 H GLY 33 H GLY 33 10.137 3.865 -3.590 283 HA2 GLY 33 2HA GLY 33 10.196 2.644 -1.041 284 HA3 GLY 33 1HA GLY 33 11.410 3.740 -1.683 285 H ILE 34 H ILE 34 9.529 5.935 -2.064 286 HA ILE 34 HA ILE 34 9.731 7.089 0.534 287 HB ILE 34 HB ILE 34 8.167 8.164 -1.812 288 HG12 ILE 34 2HG1 ILE 34 11.076 8.607 -1.103 289 HG13 ILE 34 1HG1 ILE 34 10.496 7.632 -2.450 290 HG21 ILE 34 1HG2 ILE 34 7.581 9.617 -0.191 291 HG22 ILE 34 2HG2 ILE 34 9.167 10.310 -0.529 292 HG23 ILE 34 3HG2 ILE 34 8.960 9.204 0.828 293 HD11 ILE 34 3HD1 ILE 34 9.373 9.724 -3.306 294 HD12 ILE 34 1HD1 ILE 34 11.136 9.700 -3.359 295 HD13 ILE 34 2HD1 ILE 34 10.305 10.603 -2.093 296 H LEU 35 H LEU 35 6.988 6.029 -1.466 297 HA LEU 35 HA LEU 35 4.938 6.762 0.285 298 HB2 LEU 35 2HB LEU 35 4.577 6.072 -2.048 299 HB3 LEU 35 1HB LEU 35 5.021 4.429 -1.630 300 HG LEU 35 HG LEU 35 3.060 4.335 -0.098 301 HD11 LEU 35 1HD1 LEU 35 2.793 6.697 0.354 302 HD12 LEU 35 2HD1 LEU 35 1.312 6.044 -0.349 303 HD13 LEU 35 3HD1 LEU 35 2.412 7.002 -1.341 304 HD21 LEU 35 3HD2 LEU 35 2.064 5.102 -2.806 305 HD22 LEU 35 1HD2 LEU 35 1.582 3.758 -1.771 306 HD23 LEU 35 2HD2 LEU 35 3.126 3.705 -2.623 307 H ALA 36 H ALA 36 6.801 3.758 0.064 308 HA ALA 36 HA ALA 36 5.401 2.283 1.985 309 HB1 ALA 36 1HB ALA 36 7.187 1.476 0.361 310 HB2 ALA 36 2HB ALA 36 7.212 0.785 1.983 311 HB3 ALA 36 3HB ALA 36 8.364 2.046 1.545 312 H SER 37 H SER 37 8.173 4.468 2.332 313 HA SER 37 HA SER 37 8.643 4.052 5.061 314 HB2 SER 37 2HB SER 37 9.346 6.130 3.070 315 HB3 SER 37 1HB SER 37 9.414 6.628 4.760 316 HG SER 37 HG SER 37 11.177 5.520 4.957 317 H ASP 38 H ASP 38 6.605 6.450 3.415 318 HA ASP 38 HA ASP 38 5.709 7.705 5.800 319 HB2 ASP 38 2HB ASP 38 5.653 8.569 3.347 320 HB3 ASP 38 1HB ASP 38 4.126 7.698 3.246 321 H LEU 39 H LEU 39 4.264 5.267 3.659 322 HA LEU 39 HA LEU 39 1.836 4.979 5.017 323 HB2 LEU 39 2HB LEU 39 2.847 3.948 2.752 324 HB3 LEU 39 1HB LEU 39 3.041 2.559 3.803 325 HG LEU 39 HG LEU 39 0.591 2.739 4.350 326 HD11 LEU 39 1HD1 LEU 39 0.593 5.184 3.461 327 HD12 LEU 39 2HD1 LEU 39 -0.824 4.162 3.218 328 HD13 LEU 39 3HD1 LEU 39 0.316 4.416 1.897 329 HD21 LEU 39 3HD2 LEU 39 -0.026 1.435 2.546 330 HD22 LEU 39 1HD2 LEU 39 1.731 1.282 2.524 331 HD23 LEU 39 2HD2 LEU 39 0.927 2.380 1.402 332 H GLN 40 H GLN 40 4.965 3.421 5.516 333 HA GLN 40 HA GLN 40 4.017 1.629 7.532 334 HB2 GLN 40 2HB GLN 40 6.041 1.217 6.128 335 HB3 GLN 40 1HB GLN 40 6.857 2.510 6.995 336 HG2 GLN 40 2HG GLN 40 7.291 1.216 8.756 337 HG3 GLN 40 1HG GLN 40 5.681 0.498 8.746 338 HE21 GLN 40 1HE2 GLN 40 8.239 0.528 6.299 339 HE22 GLN 40 2HE2 GLN 40 8.392 -1.188 6.184 340 H ARG 41 H ARG 41 5.481 4.823 7.515 341 HA ARG 41 HA ARG 41 6.086 5.010 10.251 342 HB2 ARG 41 2HB ARG 41 5.917 6.818 7.972 343 HB3 ARG 41 1HB ARG 41 5.420 7.591 9.471 344 HG2 ARG 41 2HG ARG 41 7.501 7.594 10.313 345 HG3 ARG 41 1HG ARG 41 7.894 6.012 9.635 346 HD2 ARG 41 2HD ARG 41 8.399 6.935 7.523 347 HD3 ARG 41 1HD ARG 41 7.652 8.478 7.933 348 HE ARG 41 HE ARG 41 9.625 9.124 8.877 349 HH11 ARG 41 1HH1 ARG 41 9.609 5.642 8.634 350 HH12 ARG 41 2HH1 ARG 41 11.248 5.472 9.164 351 HH21 ARG 41 1HH2 ARG 41 11.782 8.903 9.574 352 HH22 ARG 41 2HH2 ARG 41 12.482 7.323 9.699 353 H LEU 42 H LEU 42 3.191 6.004 8.446 354 HA LEU 42 HA LEU 42 1.806 6.853 10.807 355 HB2 LEU 42 2HB LEU 42 -0.163 6.999 9.268 356 HB3 LEU 42 1HB LEU 42 1.231 7.945 8.782 357 HG LEU 42 HG LEU 42 1.595 5.536 7.456 358 HD11 LEU 42 1HD1 LEU 42 -0.402 4.834 6.517 359 HD12 LEU 42 2HD1 LEU 42 -1.250 6.314 6.963 360 HD13 LEU 42 3HD1 LEU 42 -0.844 5.124 8.199 361 HD21 LEU 42 3HD2 LEU 42 0.235 7.990 6.359 362 HD22 LEU 42 1HD2 LEU 42 1.206 6.813 5.474 363 HD23 LEU 42 2HD2 LEU 42 1.968 7.873 6.659 364 H TYR 43 H TYR 43 1.876 3.941 8.835 365 HA TYR 43 HA TYR 43 0.030 2.670 10.749 366 HB2 TYR 43 2HB TYR 43 0.420 2.293 7.801 367 HB3 TYR 43 1HB TYR 43 -0.177 0.956 8.774 368 HD1 TYR 43 1HD TYR 43 -1.915 2.375 10.701 369 HD2 TYR 43 2HD TYR 43 -1.411 2.940 6.515 370 HE1 TYR 43 1HE TYR 43 -4.193 3.287 10.556 371 HE2 TYR 43 2HE TYR 43 -3.688 3.855 6.357 372 HH TYR 43 HH TYR 43 -5.947 3.608 8.901 373 H SER 44 H SER 44 2.567 2.828 11.596 374 HA SER 44 HA SER 44 4.275 0.733 10.776 375 HB2 SER 44 2HB SER 44 5.101 1.164 13.304 376 HB3 SER 44 1HB SER 44 5.500 2.244 11.968 377 HG SER 44 HG SER 44 4.119 3.702 12.706 378 H VAL 45 H VAL 45 2.052 1.005 13.542 379 HA VAL 45 HA VAL 45 2.505 -1.681 14.410 380 HB VAL 45 HB VAL 45 0.163 0.085 15.121 381 HG11 VAL 45 1HG1 VAL 45 -0.303 -2.055 15.911 382 HG12 VAL 45 2HG1 VAL 45 0.441 -1.260 17.299 383 HG13 VAL 45 3HG1 VAL 45 1.384 -2.378 16.314 384 HG21 VAL 45 3HG2 VAL 45 1.783 0.405 17.210 385 HG22 VAL 45 1HG2 VAL 45 1.821 1.479 15.812 386 HG23 VAL 45 2HG2 VAL 45 3.004 0.180 15.958 387 H ASP 46 H ASP 46 0.229 -0.108 12.278 388 HA ASP 46 HA ASP 46 -1.592 -2.318 12.151 389 HB2 ASP 46 2HB ASP 46 -1.284 0.274 10.689 390 HB3 ASP 46 1HB ASP 46 -2.319 -0.976 10.005 391 H TYR 47 H TYR 47 1.268 -1.327 10.422 392 HA TYR 47 HA TYR 47 0.943 -3.645 8.630 393 HB2 TYR 47 2HB TYR 47 2.323 -1.005 8.137 394 HB3 TYR 47 1HB TYR 47 2.492 -2.402 7.079 395 HD1 TYR 47 1HD TYR 47 -0.279 -3.437 7.059 396 HD2 TYR 47 2HD TYR 47 1.171 0.557 6.842 397 HE1 TYR 47 1HE TYR 47 -2.311 -2.771 5.849 398 HE2 TYR 47 2HE TYR 47 -0.858 1.233 5.630 399 HH TYR 47 HH TYR 47 -3.617 -0.712 5.432 400 H GLY 48 H GLY 48 3.657 -1.563 9.648 401 HA2 GLY 48 2HA GLY 48 5.663 -3.444 9.475 402 HA3 GLY 48 1HA GLY 48 5.690 -2.084 10.587 403 H ARG 49 H ARG 49 5.130 -5.483 10.219 404 HA ARG 49 HA ARG 49 5.196 -5.765 13.134 405 HB2 ARG 49 2HB ARG 49 3.188 -7.077 11.299 406 HB3 ARG 49 1HB ARG 49 3.471 -7.585 12.959 407 HG2 ARG 49 2HG ARG 49 2.468 -5.733 13.847 408 HG3 ARG 49 1HG ARG 49 2.824 -4.730 12.438 409 HD2 ARG 49 2HD ARG 49 0.577 -5.036 12.148 410 HD3 ARG 49 1HD ARG 49 1.194 -6.420 11.245 411 HE ARG 49 HE ARG 49 0.834 -7.334 13.806 412 HH11 ARG 49 1HH1 ARG 49 -1.194 -5.877 11.368 413 HH12 ARG 49 2HH1 ARG 49 -2.630 -6.684 11.902 414 HH21 ARG 49 1HH2 ARG 49 -1.053 -8.397 14.508 415 HH22 ARG 49 2HH2 ARG 49 -2.550 -8.115 13.684 416 H ARG 50 H ARG 50 7.379 -6.393 12.823 417 HA ARG 50 HA ARG 50 9.067 -7.902 12.623 418 HB2 ARG 50 2HB ARG 50 6.752 -9.839 12.497 419 HB3 ARG 50 1HB ARG 50 8.437 -10.325 12.619 420 HG2 ARG 50 2HG ARG 50 7.235 -8.472 14.636 421 HG3 ARG 50 1HG ARG 50 7.005 -10.218 14.755 422 HD2 ARG 50 2HD ARG 50 9.736 -9.845 14.260 423 HD3 ARG 50 1HD ARG 50 9.297 -8.620 15.450 424 HE ARG 50 HE ARG 50 8.980 -10.279 17.000 425 HH11 ARG 50 1HH1 ARG 50 9.188 -11.711 13.824 426 HH12 ARG 50 2HH1 ARG 50 9.255 -13.334 14.423 427 HH21 ARG 50 1HH2 ARG 50 9.068 -12.414 17.790 428 HH22 ARG 50 2HH2 ARG 50 9.187 -13.733 16.674 429 H LYS 51 H LYS 51 8.174 -6.572 10.274 430 HA LYS 51 HA LYS 51 9.570 -7.992 8.308 431 HB2 LYS 51 2HB LYS 51 7.696 -8.524 6.757 432 HB3 LYS 51 1HB LYS 51 7.700 -9.505 8.216 433 HG2 LYS 51 2HG LYS 51 5.899 -8.260 9.151 434 HG3 LYS 51 1HG LYS 51 5.992 -7.054 7.867 435 HD2 LYS 51 2HD LYS 51 5.664 -9.376 6.457 436 HD3 LYS 51 1HD LYS 51 4.694 -9.679 7.899 437 HE2 LYS 51 2HE LYS 51 3.175 -8.082 7.376 438 HE3 LYS 51 1HE LYS 51 4.380 -7.026 6.642 439 HZ1 LYS 51 3HZ LYS 51 3.307 -7.680 4.780 440 HZ2 LYS 51 1HZ LYS 51 2.789 -9.150 5.438 441 HZ3 LYS 51 2HZ LYS 51 4.377 -8.985 4.878 442 H ARG 52 H ARG 52 10.109 -5.589 8.843 443 HA ARG 52 HA ARG 52 8.576 -3.497 7.798 444 HB2 ARG 52 2HB ARG 52 10.932 -3.677 9.168 445 HB3 ARG 52 1HB ARG 52 11.493 -3.165 7.583 446 HG2 ARG 52 2HG ARG 52 9.198 -1.630 8.434 447 HG3 ARG 52 1HG ARG 52 10.507 -1.552 9.614 448 HD2 ARG 52 2HD ARG 52 11.614 -1.293 6.998 449 HD3 ARG 52 1HD ARG 52 10.266 -0.167 7.155 450 HE ARG 52 HE ARG 52 11.494 1.049 8.658 451 HH11 ARG 52 1HH1 ARG 52 13.018 -2.055 8.194 452 HH12 ARG 52 2HH1 ARG 52 14.443 -1.629 9.081 453 HH21 ARG 52 1HH2 ARG 52 13.367 1.613 9.824 454 HH22 ARG 52 2HH2 ARG 52 14.641 0.453 10.006 455 H ASN 53 H ASN 53 11.015 -5.556 6.290 456 HA ASN 53 HA ASN 53 11.140 -4.153 3.834 457 HB2 ASN 53 2HB ASN 53 12.503 -6.275 4.978 458 HB3 ASN 53 1HB ASN 53 11.658 -7.021 3.625 459 HD21 ASN 53 1HD2 ASN 53 13.841 -7.364 2.831 460 HD22 ASN 53 2HD2 ASN 53 14.620 -6.100 1.947 461 H ALA 54 H ALA 54 9.202 -6.895 4.947 462 HA ALA 54 HA ALA 54 8.025 -7.646 2.550 463 HB1 ALA 54 1HB ALA 54 7.801 -8.889 4.663 464 HB2 ALA 54 2HB ALA 54 6.247 -8.617 3.875 465 HB3 ALA 54 3HB ALA 54 6.713 -7.639 5.265 466 H PHE 55 H PHE 55 7.182 -5.020 4.743 467 HA PHE 55 HA PHE 55 4.741 -4.322 3.477 468 HB2 PHE 55 2HB PHE 55 5.308 -3.642 5.782 469 HB3 PHE 55 1HB PHE 55 6.580 -2.600 5.152 470 HD1 PHE 55 2HD PHE 55 2.918 -3.193 4.780 471 HD2 PHE 55 1HD PHE 55 6.110 -0.380 4.804 472 HE1 PHE 55 2HE PHE 55 1.295 -1.355 4.558 473 HE2 PHE 55 1HE PHE 55 4.496 1.461 4.582 474 HZ PHE 55 HZ PHE 55 2.084 0.975 4.459 475 H ARG 56 H ARG 56 8.090 -3.430 2.967 476 HA ARG 56 HA ARG 56 7.604 -1.231 1.242 477 HB2 ARG 56 2HB ARG 56 9.985 -2.995 1.747 478 HB3 ARG 56 1HB ARG 56 10.016 -1.768 0.487 479 HG2 ARG 56 2HG ARG 56 9.263 -0.168 2.383 480 HG3 ARG 56 1HG ARG 56 9.870 -1.435 3.450 481 HD2 ARG 56 2HD ARG 56 11.914 -1.223 1.682 482 HD3 ARG 56 1HD ARG 56 11.324 0.438 1.709 483 HE ARG 56 HE ARG 56 12.679 -0.962 3.828 484 HH11 ARG 56 1HH1 ARG 56 10.550 1.690 3.042 485 HH12 ARG 56 2HH1 ARG 56 10.941 2.591 4.469 486 HH21 ARG 56 1HH2 ARG 56 13.193 0.221 5.705 487 HH22 ARG 56 2HH2 ARG 56 12.441 1.757 5.981 488 H ILE 57 H ILE 57 7.909 -4.687 0.756 489 HA ILE 57 HA ILE 57 8.105 -4.574 -2.088 490 HB ILE 57 HB ILE 57 7.164 -6.902 -0.415 491 HG12 ILE 57 2HG1 ILE 57 9.989 -6.380 -1.342 492 HG13 ILE 57 1HG1 ILE 57 9.411 -5.886 0.246 493 HG21 ILE 57 1HG2 ILE 57 7.311 -8.188 -2.259 494 HG22 ILE 57 2HG2 ILE 57 8.712 -7.319 -2.883 495 HG23 ILE 57 3HG2 ILE 57 7.091 -6.656 -3.104 496 HD11 ILE 57 3HD1 ILE 57 9.292 -8.720 -0.740 497 HD12 ILE 57 1HD1 ILE 57 9.051 -8.131 0.905 498 HD13 ILE 57 2HD1 ILE 57 10.652 -8.057 0.168 499 H GLN 58 H GLN 58 5.431 -5.450 0.111 500 HA GLN 58 HA GLN 58 3.489 -5.829 -1.856 501 HB2 GLN 58 2HB GLN 58 1.845 -5.578 -0.087 502 HB3 GLN 58 1HB GLN 58 3.212 -6.518 0.492 503 HG2 GLN 58 2HG GLN 58 4.093 -4.344 1.465 504 HG3 GLN 58 1HG GLN 58 2.489 -3.684 1.145 505 HE21 GLN 58 1HE2 GLN 58 0.823 -4.204 2.461 506 HE22 GLN 58 2HE2 GLN 58 0.972 -5.194 3.869 507 H VAL 59 H VAL 59 4.330 -2.888 -0.042 508 HA VAL 59 HA VAL 59 2.356 -1.259 -1.260 509 HB VAL 59 HB VAL 59 3.443 -0.649 0.868 510 HG11 VAL 59 1HG1 VAL 59 5.658 -0.116 1.107 511 HG12 VAL 59 2HG1 VAL 59 5.849 0.329 -0.588 512 HG13 VAL 59 3HG1 VAL 59 5.764 -1.370 -0.127 513 HG21 VAL 59 3HG2 VAL 59 3.074 1.108 -1.415 514 HG22 VAL 59 1HG2 VAL 59 4.216 1.763 -0.242 515 HG23 VAL 59 2HG2 VAL 59 2.586 1.321 0.267 516 H GLU 60 H GLU 60 5.633 -2.144 -2.109 517 HA GLU 60 HA GLU 60 6.109 -0.180 -4.072 518 HB2 GLU 60 2HB GLU 60 7.281 -2.787 -3.317 519 HB3 GLU 60 1HB GLU 60 7.544 -2.296 -4.985 520 HG2 GLU 60 2HG GLU 60 8.631 -0.291 -4.303 521 HG3 GLU 60 1HG GLU 60 8.184 -0.557 -2.619 522 H LYS 61 H LYS 61 4.817 -3.479 -4.314 523 HA LYS 61 HA LYS 61 4.348 -3.320 -7.125 524 HB2 LYS 61 2HB LYS 61 3.911 -5.274 -4.972 525 HB3 LYS 61 1HB LYS 61 2.695 -5.323 -6.241 526 HG2 LYS 61 2HG LYS 61 4.513 -6.888 -6.670 527 HG3 LYS 61 1HG LYS 61 4.423 -5.643 -7.917 528 HD2 LYS 61 2HD LYS 61 6.501 -4.962 -7.486 529 HD3 LYS 61 1HD LYS 61 6.155 -4.815 -5.762 530 HE2 LYS 61 2HE LYS 61 6.610 -7.166 -5.433 531 HE3 LYS 61 1HE LYS 61 6.834 -7.396 -7.166 532 HZ1 LYS 61 3HZ LYS 61 8.549 -5.805 -5.340 533 HZ2 LYS 61 1HZ LYS 61 8.718 -5.813 -7.024 534 HZ3 LYS 61 2HZ LYS 61 8.964 -7.235 -6.142 535 H VAL 62 H VAL 62 2.504 -2.599 -4.249 536 HA VAL 62 HA VAL 62 -0.052 -2.470 -5.445 537 HB VAL 62 HB VAL 62 1.097 -1.323 -2.915 538 HG11 VAL 62 1HG1 VAL 62 -1.561 -0.724 -4.157 539 HG12 VAL 62 2HG1 VAL 62 -0.434 0.364 -3.346 540 HG13 VAL 62 3HG1 VAL 62 -1.387 -0.780 -2.402 541 HG21 VAL 62 3HG2 VAL 62 -0.095 -3.770 -3.657 542 HG22 VAL 62 1HG2 VAL 62 -1.239 -2.940 -2.602 543 HG23 VAL 62 2HG2 VAL 62 0.407 -3.247 -2.049 544 H PHE 63 H PHE 63 2.595 -0.195 -5.204 545 HA PHE 63 HA PHE 63 1.144 2.133 -5.898 546 HB2 PHE 63 2HB PHE 63 3.462 2.052 -4.888 547 HB3 PHE 63 1HB PHE 63 4.062 1.609 -6.483 548 HD1 PHE 63 1HD PHE 63 2.107 4.242 -4.730 549 HD2 PHE 63 2HD PHE 63 4.662 3.258 -7.988 550 HE1 PHE 63 1HE PHE 63 2.251 6.624 -5.331 551 HE2 PHE 63 2HE PHE 63 4.810 5.637 -8.595 552 HZ PHE 63 HZ PHE 63 3.605 7.324 -7.266 553 H SER 64 H SER 64 2.808 -0.328 -7.794 554 HA SER 64 HA SER 64 2.457 1.014 -10.296 555 HB2 SER 64 2HB SER 64 3.471 -1.645 -9.411 556 HB3 SER 64 1HB SER 64 2.953 -1.482 -11.090 557 HG SER 64 HG SER 64 4.401 0.300 -11.258 558 H ILE 65 H ILE 65 0.703 -1.461 -8.513 559 HA ILE 65 HA ILE 65 -1.080 -2.088 -10.655 560 HB ILE 65 HB ILE 65 -0.477 -3.593 -8.692 561 HG12 ILE 65 2HG1 ILE 65 -3.423 -3.263 -9.289 562 HG13 ILE 65 1HG1 ILE 65 -2.271 -4.029 -10.379 563 HG21 ILE 65 1HG2 ILE 65 -1.018 -1.828 -6.979 564 HG22 ILE 65 2HG2 ILE 65 -1.675 -3.430 -6.662 565 HG23 ILE 65 3HG2 ILE 65 -2.719 -2.156 -7.297 566 HD11 ILE 65 3HD1 ILE 65 -2.767 -5.938 -9.376 567 HD12 ILE 65 1HD1 ILE 65 -3.647 -5.112 -8.091 568 HD13 ILE 65 2HD1 ILE 65 -1.903 -5.333 -7.963 569 H ILE 66 H ILE 66 -1.343 -0.034 -7.756 570 HA ILE 66 HA ILE 66 -4.037 0.611 -7.942 571 HB ILE 66 HB ILE 66 -3.502 2.715 -6.774 572 HG12 ILE 66 2HG1 ILE 66 -0.630 1.873 -7.211 573 HG13 ILE 66 1HG1 ILE 66 -1.418 3.269 -7.933 574 HG21 ILE 66 1HG2 ILE 66 -3.727 1.162 -5.156 575 HG22 ILE 66 2HG2 ILE 66 -1.997 1.433 -4.948 576 HG23 ILE 66 3HG2 ILE 66 -2.566 0.063 -5.901 577 HD11 ILE 66 3HD1 ILE 66 -1.797 4.085 -5.562 578 HD12 ILE 66 1HD1 ILE 66 -0.141 4.113 -6.165 579 HD13 ILE 66 2HD1 ILE 66 -0.658 2.834 -5.067 580 H SER 67 H SER 67 -1.278 2.033 -9.632 581 HA SER 67 HA SER 67 -2.833 4.070 -10.908 582 HB2 SER 67 2HB SER 67 -0.300 4.083 -10.434 583 HB3 SER 67 1HB SER 67 -0.158 3.086 -11.882 584 HG SER 67 HG SER 67 -0.200 4.913 -12.908 585 H SER 68 H SER 68 -1.634 0.881 -11.839 586 HA SER 68 HA SER 68 -2.518 1.075 -14.547 587 HB2 SER 68 2HB SER 68 -0.771 -0.554 -13.280 588 HB3 SER 68 1HB SER 68 -2.177 -1.616 -13.362 589 HG SER 68 HG SER 68 -2.217 -0.977 -15.673 590 H GLU 69 H GLU 69 -3.769 -0.642 -11.691 591 HA GLU 69 HA GLU 69 -6.048 -1.673 -13.028 592 HB2 GLU 69 2HB GLU 69 -5.019 -1.626 -10.269 593 HB3 GLU 69 1HB GLU 69 -6.770 -1.710 -10.401 594 HG2 GLU 69 2HG GLU 69 -5.099 -3.563 -12.027 595 HG3 GLU 69 1HG GLU 69 -5.329 -3.882 -10.308 596 H LYS 70 H LYS 70 -5.635 1.056 -10.769 597 HA LYS 70 HA LYS 70 -8.385 1.859 -11.093 598 HB2 LYS 70 2HB LYS 70 -6.232 3.535 -9.826 599 HB3 LYS 70 1HB LYS 70 -7.958 3.530 -9.489 600 HG2 LYS 70 2HG LYS 70 -6.078 1.265 -8.853 601 HG3 LYS 70 1HG LYS 70 -6.621 2.489 -7.704 602 HD2 LYS 70 2HD LYS 70 -8.941 1.470 -8.925 603 HD3 LYS 70 1HD LYS 70 -7.929 0.075 -8.545 604 HE2 LYS 70 2HE LYS 70 -8.894 0.240 -6.519 605 HE3 LYS 70 1HE LYS 70 -7.688 1.499 -6.262 606 HZ1 LYS 70 3HZ LYS 70 -10.256 1.903 -5.870 607 HZ2 LYS 70 1HZ LYS 70 -10.198 2.301 -7.514 608 HZ3 LYS 70 2HZ LYS 70 -9.227 3.133 -6.408 609 H GLU 71 H GLU 71 -5.247 3.375 -11.868 610 HA GLU 71 HA GLU 71 -4.644 4.887 -13.457 611 HB2 GLU 71 2HB GLU 71 -7.008 3.578 -14.772 612 HB3 GLU 71 1HB GLU 71 -6.169 4.911 -15.553 613 HG2 GLU 71 2HG GLU 71 -4.104 3.658 -15.554 614 HG3 GLU 71 1HG GLU 71 -4.874 2.342 -14.670 615 H LEU 72 H LEU 72 -5.519 6.850 -14.760 616 HA LEU 72 HA LEU 72 -7.890 8.087 -13.689 617 HB2 LEU 72 2HB LEU 72 -6.070 8.442 -11.958 618 HB3 LEU 72 1HB LEU 72 -5.248 9.432 -13.150 619 HG LEU 72 HG LEU 72 -7.621 10.662 -13.185 620 HD11 LEU 72 1HD1 LEU 72 -7.514 9.152 -10.628 621 HD12 LEU 72 2HD1 LEU 72 -8.897 9.582 -11.633 622 HD13 LEU 72 3HD1 LEU 72 -8.144 10.800 -10.605 623 HD21 LEU 72 3HD2 LEU 72 -5.123 11.295 -12.390 624 HD22 LEU 72 1HD2 LEU 72 -5.987 11.427 -10.857 625 HD23 LEU 72 2HD2 LEU 72 -6.505 12.381 -12.247 626 H LYS 73 H LYS 73 -8.757 8.827 -15.510 627 HA LYS 73 HA LYS 73 -7.365 10.790 -17.082 628 HB2 LYS 73 2HB LYS 73 -6.870 8.273 -17.899 629 HB3 LYS 73 1HB LYS 73 -8.367 8.569 -18.772 630 HG2 LYS 73 2HG LYS 73 -6.021 10.441 -18.891 631 HG3 LYS 73 1HG LYS 73 -6.233 9.087 -20.004 632 HD2 LYS 73 2HD LYS 73 -8.182 10.009 -20.930 633 HD3 LYS 73 1HD LYS 73 -8.387 11.137 -19.587 634 HE2 LYS 73 2HE LYS 73 -6.033 11.242 -21.457 635 HE3 LYS 73 1HE LYS 73 -7.534 12.112 -21.767 636 HZ1 LYS 73 3HZ LYS 73 -7.229 13.447 -19.894 637 HZ2 LYS 73 1HZ LYS 73 -5.688 13.362 -20.589 638 HZ3 LYS 73 2HZ LYS 73 -6.055 12.428 -19.228 639 H ASN 74 H ASN 74 -8.864 12.305 -17.299 640 HA ASN 74 HA ASN 74 -11.659 11.479 -17.719 641 HB2 ASN 74 2HB ASN 74 -11.115 12.823 -15.649 642 HB3 ASN 74 1HB ASN 74 -10.698 14.163 -16.713 643 HD21 ASN 74 1HD2 ASN 74 -12.380 14.955 -18.145 644 HD22 ASN 74 2HD2 ASN 74 -14.027 14.885 -17.626 Start of MODEL 9 1 H MET 1 H MET 1 -14.377 -12.461 15.460 2 HA MET 1 HA MET 1 -16.656 -12.937 16.335 3 HB2 MET 1 2HB MET 1 -16.747 -10.365 16.929 4 HB3 MET 1 1HB MET 1 -17.318 -10.221 15.271 5 HG2 MET 1 2HG MET 1 -19.185 -11.647 15.723 6 HG3 MET 1 1HG MET 1 -18.569 -12.017 17.333 7 HE1 MET 1 2HE MET 1 -21.421 -11.041 16.380 8 HE2 MET 1 3HE MET 1 -20.984 -9.681 15.347 9 HE3 MET 1 1HE MET 1 -21.854 -9.398 16.855 10 H LYS 2 H LYS 2 -15.121 -11.249 13.692 11 HA LYS 2 HA LYS 2 -16.983 -12.294 11.730 12 HB2 LYS 2 2HB LYS 2 -15.514 -11.134 10.092 13 HB3 LYS 2 1HB LYS 2 -16.136 -10.071 11.348 14 HG2 LYS 2 2HG LYS 2 -13.548 -11.270 11.985 15 HG3 LYS 2 1HG LYS 2 -13.534 -10.230 10.560 16 HD2 LYS 2 2HD LYS 2 -14.273 -8.364 11.783 17 HD3 LYS 2 1HD LYS 2 -14.790 -9.358 13.147 18 HE2 LYS 2 2HE LYS 2 -11.942 -8.898 12.260 19 HE3 LYS 2 1HE LYS 2 -12.726 -8.155 13.655 20 HZ1 LYS 2 3HZ LYS 2 -12.032 -11.008 13.264 21 HZ2 LYS 2 1HZ LYS 2 -13.092 -10.490 14.478 22 HZ3 LYS 2 2HZ LYS 2 -11.487 -9.959 14.474 23 HA PRO 3 HA PRO 3 -14.621 -15.953 10.926 24 HB2 PRO 3 2HB PRO 3 -15.639 -16.652 8.536 25 HB3 PRO 3 1HB PRO 3 -16.591 -16.753 10.022 26 HG2 PRO 3 2HG PRO 3 -16.611 -14.643 7.899 27 HG3 PRO 3 1HG PRO 3 -17.978 -15.392 8.745 28 HD2 PRO 3 2HD PRO 3 -16.950 -12.947 9.405 29 HD3 PRO 3 1HD PRO 3 -17.762 -14.015 10.566 30 H ARG 4 H ARG 4 -12.511 -15.822 10.477 31 HA ARG 4 HA ARG 4 -10.548 -15.480 9.382 32 HB2 ARG 4 2HB ARG 4 -12.481 -15.956 7.150 33 HB3 ARG 4 1HB ARG 4 -10.839 -15.457 6.766 34 HG2 ARG 4 2HG ARG 4 -11.066 -17.675 8.684 35 HG3 ARG 4 1HG ARG 4 -11.622 -18.020 7.046 36 HD2 ARG 4 2HD ARG 4 -9.461 -17.185 6.179 37 HD3 ARG 4 1HD ARG 4 -8.914 -16.958 7.840 38 HE ARG 4 HE ARG 4 -9.638 -19.559 7.790 39 HH11 ARG 4 1HH1 ARG 4 -7.561 -17.632 5.752 40 HH12 ARG 4 2HH1 ARG 4 -6.526 -18.957 5.340 41 HH21 ARG 4 1HH2 ARG 4 -8.277 -21.304 7.249 42 HH22 ARG 4 2HH2 ARG 4 -6.934 -21.043 6.188 43 HA PRO 5 HA PRO 5 -11.459 -10.962 8.833 44 HB2 PRO 5 2HB PRO 5 -9.878 -10.056 10.813 45 HB3 PRO 5 1HB PRO 5 -11.518 -10.640 11.119 46 HG2 PRO 5 2HG PRO 5 -8.905 -12.047 11.504 47 HG3 PRO 5 1HG PRO 5 -10.324 -12.014 12.566 48 HD2 PRO 5 2HD PRO 5 -9.758 -14.080 10.871 49 HD3 PRO 5 1HD PRO 5 -11.404 -13.652 11.377 50 H GLY 6 H GLY 6 -9.830 -9.161 8.499 51 HA2 GLY 6 2HA GLY 6 -7.735 -8.387 7.794 52 HA3 GLY 6 1HA GLY 6 -7.140 -10.039 7.819 53 H VAL 7 H VAL 7 -6.213 -9.032 5.741 54 HA VAL 7 HA VAL 7 -8.122 -9.382 3.527 55 HB VAL 7 HB VAL 7 -6.474 -8.140 2.141 56 HG11 VAL 7 1HG1 VAL 7 -8.315 -6.905 2.993 57 HG12 VAL 7 2HG1 VAL 7 -6.878 -5.912 3.233 58 HG13 VAL 7 3HG1 VAL 7 -7.581 -6.789 4.592 59 HG21 VAL 7 3HG2 VAL 7 -4.688 -6.885 3.263 60 HG22 VAL 7 1HG2 VAL 7 -4.463 -8.628 3.420 61 HG23 VAL 7 2HG2 VAL 7 -5.083 -7.692 4.780 62 H PHE 8 H PHE 8 -6.711 -9.973 1.420 63 HA PHE 8 HA PHE 8 -5.680 -12.615 1.991 64 HB2 PHE 8 2HB PHE 8 -6.381 -11.121 -0.518 65 HB3 PHE 8 1HB PHE 8 -5.450 -12.612 -0.599 66 HD1 PHE 8 1HD PHE 8 -6.445 -14.723 0.283 67 HD2 PHE 8 2HD PHE 8 -8.708 -11.148 -0.167 68 HE1 PHE 8 1HE PHE 8 -8.526 -16.031 0.392 69 HE2 PHE 8 2HE PHE 8 -10.793 -12.449 -0.059 70 HZ PHE 8 HZ PHE 8 -10.704 -14.895 0.220 71 H VAL 9 H VAL 9 -4.430 -10.254 -0.350 72 HA VAL 9 HA VAL 9 -1.720 -10.854 0.639 73 HB VAL 9 HB VAL 9 -2.098 -11.585 -1.670 74 HG11 VAL 9 1HG1 VAL 9 -3.238 -8.900 -1.911 75 HG12 VAL 9 2HG1 VAL 9 -3.567 -10.363 -2.840 76 HG13 VAL 9 3HG1 VAL 9 -2.173 -9.358 -3.241 77 HG21 VAL 9 3HG2 VAL 9 -0.344 -9.303 -2.205 78 HG22 VAL 9 1HG2 VAL 9 -0.008 -11.033 -2.266 79 HG23 VAL 9 2HG2 VAL 9 0.043 -10.179 -0.724 80 H ASP 10 H ASP 10 -2.683 -9.056 2.196 81 HA ASP 10 HA ASP 10 -2.489 -6.940 3.010 82 HB2 ASP 10 2HB ASP 10 -0.085 -7.500 2.096 83 HB3 ASP 10 1HB ASP 10 -0.476 -6.272 0.897 84 H ARG 11 H ARG 11 -4.595 -7.265 1.300 85 HA ARG 11 HA ARG 11 -4.768 -5.529 -0.872 86 HB2 ARG 11 2HB ARG 11 -6.439 -7.326 0.129 87 HB3 ARG 11 1HB ARG 11 -7.154 -5.905 0.876 88 HG2 ARG 11 2HG ARG 11 -8.348 -6.175 -1.103 89 HG3 ARG 11 1HG ARG 11 -7.183 -4.903 -1.474 90 HD2 ARG 11 2HD ARG 11 -6.265 -6.120 -3.093 91 HD3 ARG 11 1HD ARG 11 -6.069 -7.505 -2.020 92 HE ARG 11 HE ARG 11 -8.693 -7.590 -2.643 93 HH11 ARG 11 1HH1 ARG 11 -5.803 -7.357 -4.585 94 HH12 ARG 11 2HH1 ARG 11 -6.493 -8.192 -5.936 95 HH21 ARG 11 1HH2 ARG 11 -9.601 -8.691 -4.417 96 HH22 ARG 11 2HH2 ARG 11 -8.649 -8.950 -5.841 97 H LYS 12 H LYS 12 -4.995 -4.900 2.555 98 HA LYS 12 HA LYS 12 -6.264 -2.433 2.566 99 HB2 LYS 12 2HB LYS 12 -4.337 -3.816 4.349 100 HB3 LYS 12 1HB LYS 12 -4.505 -2.078 4.569 101 HG2 LYS 12 2HG LYS 12 -6.201 -2.590 5.917 102 HG3 LYS 12 1HG LYS 12 -7.110 -2.896 4.436 103 HD2 LYS 12 2HD LYS 12 -7.446 -4.936 5.311 104 HD3 LYS 12 1HD LYS 12 -5.797 -5.260 4.773 105 HE2 LYS 12 2HE LYS 12 -5.254 -4.141 7.134 106 HE3 LYS 12 1HE LYS 12 -6.853 -4.785 7.499 107 HZ1 LYS 12 3HZ LYS 12 -5.500 -6.536 8.048 108 HZ2 LYS 12 1HZ LYS 12 -4.385 -6.226 6.813 109 HZ3 LYS 12 2HZ LYS 12 -5.878 -6.930 6.447 110 H LEU 13 H LEU 13 -2.938 -3.249 1.790 111 HA LEU 13 HA LEU 13 -1.795 -0.708 1.851 112 HB2 LEU 13 2HB LEU 13 -0.843 -3.147 1.323 113 HB3 LEU 13 1HB LEU 13 -0.987 -2.563 -0.323 114 HG LEU 13 HG LEU 13 1.247 -2.148 0.387 115 HD11 LEU 13 1HD1 LEU 13 -0.315 0.425 0.553 116 HD12 LEU 13 2HD1 LEU 13 0.220 -0.366 -0.929 117 HD13 LEU 13 3HD1 LEU 13 1.407 0.276 0.205 118 HD21 LEU 13 3HD2 LEU 13 1.354 -0.410 2.429 119 HD22 LEU 13 1HD2 LEU 13 1.462 -2.159 2.636 120 HD23 LEU 13 2HD2 LEU 13 -0.075 -1.333 2.896 121 H LYS 14 H LYS 14 -3.561 -2.352 -0.738 122 HA LYS 14 HA LYS 14 -3.223 -0.225 -2.619 123 HB2 LYS 14 2HB LYS 14 -3.735 -2.725 -3.071 124 HB3 LYS 14 1HB LYS 14 -5.408 -2.283 -2.764 125 HG2 LYS 14 2HG LYS 14 -5.038 -0.460 -4.535 126 HG3 LYS 14 1HG LYS 14 -3.607 -1.392 -4.981 127 HD2 LYS 14 2HD LYS 14 -5.457 -2.059 -6.378 128 HD3 LYS 14 1HD LYS 14 -5.053 -3.382 -5.281 129 HE2 LYS 14 2HE LYS 14 -7.063 -1.507 -4.255 130 HE3 LYS 14 1HE LYS 14 -7.561 -2.404 -5.689 131 HZ1 LYS 14 3HZ LYS 14 -7.087 -3.344 -2.988 132 HZ2 LYS 14 1HZ LYS 14 -6.494 -4.350 -4.213 133 HZ3 LYS 14 2HZ LYS 14 -8.135 -3.941 -4.174 134 H GLN 15 H GLN 15 -5.987 -1.381 -0.698 135 HA GLN 15 HA GLN 15 -7.817 0.577 -1.463 136 HB2 GLN 15 2HB GLN 15 -8.185 -1.575 -0.099 137 HB3 GLN 15 1HB GLN 15 -7.750 -0.607 1.302 138 HG2 GLN 15 2HG GLN 15 -9.968 -0.272 1.398 139 HG3 GLN 15 1HG GLN 15 -9.605 0.992 0.224 140 HE21 GLN 15 1HE2 GLN 15 -10.216 -2.508 0.266 141 HE22 GLN 15 2HE2 GLN 15 -11.279 -2.511 -1.096 142 H ARG 16 H ARG 16 -5.601 0.531 1.318 143 HA ARG 16 HA ARG 16 -6.382 3.025 2.366 144 HB2 ARG 16 2HB ARG 16 -4.918 1.116 3.396 145 HB3 ARG 16 1HB ARG 16 -3.585 1.996 2.664 146 HG2 ARG 16 2HG ARG 16 -3.673 2.811 4.837 147 HG3 ARG 16 1HG ARG 16 -4.508 4.044 3.889 148 HD2 ARG 16 2HD ARG 16 -6.265 3.825 5.227 149 HD3 ARG 16 1HD ARG 16 -6.464 2.173 4.647 150 HE ARG 16 HE ARG 16 -4.551 1.986 6.581 151 HH11 ARG 16 1HH1 ARG 16 -7.808 3.235 6.469 152 HH12 ARG 16 2HH1 ARG 16 -8.134 2.884 8.132 153 HH21 ARG 16 1HH2 ARG 16 -4.978 1.525 8.770 154 HH22 ARG 16 2HH2 ARG 16 -6.527 1.914 9.440 155 H VAL 17 H VAL 17 -3.843 2.112 0.074 156 HA VAL 17 HA VAL 17 -2.675 4.673 -0.142 157 HB VAL 17 HB VAL 17 -2.635 2.236 -1.899 158 HG11 VAL 17 1HG1 VAL 17 -1.729 4.986 -2.595 159 HG12 VAL 17 2HG1 VAL 17 -2.412 3.726 -3.621 160 HG13 VAL 17 3HG1 VAL 17 -0.734 3.616 -3.092 161 HG21 VAL 17 3HG2 VAL 17 -0.213 3.565 -0.826 162 HG22 VAL 17 1HG2 VAL 17 -0.572 1.849 -1.024 163 HG23 VAL 17 2HG2 VAL 17 -1.274 2.746 0.322 164 H ILE 18 H ILE 18 -5.025 3.009 -2.268 165 HA ILE 18 HA ILE 18 -5.375 5.056 -4.106 166 HB ILE 18 HB ILE 18 -7.557 4.085 -4.630 167 HG12 ILE 18 2HG1 ILE 18 -7.118 2.268 -2.254 168 HG13 ILE 18 1HG1 ILE 18 -8.216 3.644 -2.248 169 HG21 ILE 18 1HG2 ILE 18 -6.581 1.564 -4.622 170 HG22 ILE 18 2HG2 ILE 18 -5.104 2.491 -4.357 171 HG23 ILE 18 3HG2 ILE 18 -6.102 2.810 -5.774 172 HD11 ILE 18 3HD1 ILE 18 -9.357 1.504 -2.617 173 HD12 ILE 18 1HD1 ILE 18 -8.423 1.281 -4.097 174 HD13 ILE 18 2HD1 ILE 18 -9.560 2.623 -3.965 175 H GLN 19 H GLN 19 -6.831 4.615 -0.937 176 HA GLN 19 HA GLN 19 -8.712 6.744 -1.196 177 HB2 GLN 19 2HB GLN 19 -7.630 5.230 1.177 178 HB3 GLN 19 1HB GLN 19 -8.799 6.532 1.345 179 HG2 GLN 19 2HG GLN 19 -9.868 4.867 -0.609 180 HG3 GLN 19 1HG GLN 19 -9.200 3.776 0.605 181 HE21 GLN 19 1HE2 GLN 19 -11.375 3.149 1.048 182 HE22 GLN 19 2HE2 GLN 19 -12.379 4.129 2.056 183 H TYR 20 H TYR 20 -5.392 6.486 -0.138 184 HA TYR 20 HA TYR 20 -5.283 9.069 1.087 185 HB2 TYR 20 2HB TYR 20 -3.385 6.882 0.506 186 HB3 TYR 20 1HB TYR 20 -2.681 8.494 0.553 187 HD1 TYR 20 1HD TYR 20 -4.329 9.759 2.671 188 HD2 TYR 20 2HD TYR 20 -2.603 5.874 2.463 189 HE1 TYR 20 1HE TYR 20 -4.269 9.661 5.127 190 HE2 TYR 20 2HE TYR 20 -2.540 5.766 4.920 191 HH TYR 20 HH TYR 20 -2.638 8.184 6.871 192 H LEU 21 H LEU 21 -4.448 7.770 -2.090 193 HA LEU 21 HA LEU 21 -3.279 10.198 -3.039 194 HB2 LEU 21 2HB LEU 21 -4.440 8.108 -4.845 195 HB3 LEU 21 1HB LEU 21 -3.047 9.138 -5.108 196 HG LEU 21 HG LEU 21 -2.775 7.263 -2.854 197 HD11 LEU 21 1HD1 LEU 21 -2.111 5.705 -5.076 198 HD12 LEU 21 2HD1 LEU 21 -3.736 6.313 -5.389 199 HD13 LEU 21 3HD1 LEU 21 -3.399 5.415 -3.910 200 HD21 LEU 21 3HD2 LEU 21 -1.035 7.936 -5.219 201 HD22 LEU 21 1HD2 LEU 21 -0.560 6.970 -3.821 202 HD23 LEU 21 2HD2 LEU 21 -0.946 8.681 -3.621 203 H SER 22 H SER 22 -6.446 8.652 -3.445 204 HA SER 22 HA SER 22 -7.557 10.524 -5.203 205 HB2 SER 22 2HB SER 22 -8.804 8.679 -3.167 206 HB3 SER 22 1HB SER 22 -9.773 9.707 -4.224 207 HG SER 22 HG SER 22 -8.684 8.674 -6.003 208 H SER 23 H SER 23 -7.747 10.355 -1.653 209 HA SER 23 HA SER 23 -9.280 12.677 -1.298 210 HB2 SER 23 2HB SER 23 -9.125 11.200 0.550 211 HB3 SER 23 1HB SER 23 -7.361 11.213 0.511 212 HG SER 23 HG SER 23 -9.021 13.425 1.157 213 H ASN 24 H ASN 24 -5.858 12.199 -1.787 214 HA ASN 24 HA ASN 24 -5.408 14.873 -2.536 215 HB2 ASN 24 2HB ASN 24 -3.762 15.339 -0.577 216 HB3 ASN 24 1HB ASN 24 -5.483 15.619 -0.328 217 HD21 ASN 24 1HD2 ASN 24 -3.103 12.998 -0.042 218 HD22 ASN 24 2HD2 ASN 24 -3.708 12.387 1.456 219 H ARG 25 H ARG 25 -3.099 15.316 -2.966 220 HA ARG 25 HA ARG 25 -1.873 13.129 -4.246 221 HB2 ARG 25 2HB ARG 25 -1.551 15.476 -4.936 222 HB3 ARG 25 1HB ARG 25 -0.650 15.779 -3.457 223 HG2 ARG 25 2HG ARG 25 1.184 14.583 -4.166 224 HG3 ARG 25 1HG ARG 25 0.244 13.615 -5.305 225 HD2 ARG 25 2HD ARG 25 -0.142 15.856 -6.531 226 HD3 ARG 25 1HD ARG 25 1.225 16.433 -5.580 227 HE ARG 25 HE ARG 25 2.139 14.130 -6.693 228 HH11 ARG 25 1HH1 ARG 25 0.678 17.027 -7.979 229 HH12 ARG 25 2HH1 ARG 25 1.511 16.926 -9.493 230 HH21 ARG 25 1HH2 ARG 25 3.237 13.996 -8.685 231 HH22 ARG 25 2HH2 ARG 25 2.965 15.206 -9.895 232 H CYS 26 H CYS 26 -1.257 14.710 -1.147 233 HA CYS 26 HA CYS 26 -0.036 14.096 0.670 234 HB2 CYS 26 2HB CYS 26 -1.262 11.748 -0.304 235 HB3 CYS 26 1HB CYS 26 0.389 11.301 0.110 236 HG CYS 26 HG CYS 26 -1.712 11.469 2.080 237 H GLY 27 H GLY 27 1.791 15.282 -0.051 238 HA2 GLY 27 2HA GLY 27 4.150 15.215 -0.040 239 HA3 GLY 27 1HA GLY 27 4.083 13.556 -0.615 240 H LYS 28 H LYS 28 5.524 16.027 -1.566 241 HA LYS 28 HA LYS 28 4.456 16.921 -3.991 242 HB2 LYS 28 2HB LYS 28 7.220 16.792 -2.849 243 HB3 LYS 28 1HB LYS 28 7.002 17.258 -4.531 244 HG2 LYS 28 2HG LYS 28 6.316 19.301 -3.983 245 HG3 LYS 28 1HG LYS 28 5.211 18.688 -2.750 246 HD2 LYS 28 2HD LYS 28 6.639 19.181 -1.105 247 HD3 LYS 28 1HD LYS 28 7.984 18.411 -1.949 248 HE2 LYS 28 2HE LYS 28 8.424 20.780 -1.565 249 HE3 LYS 28 1HE LYS 28 8.306 20.425 -3.288 250 HZ1 LYS 28 3HZ LYS 28 5.787 21.077 -2.746 251 HZ2 LYS 28 1HZ LYS 28 6.947 22.199 -3.252 252 HZ3 LYS 28 2HZ LYS 28 6.581 22.045 -1.608 253 H TYR 29 H TYR 29 6.766 14.291 -3.354 254 HA TYR 29 HA TYR 29 5.816 12.907 -5.727 255 HB2 TYR 29 2HB TYR 29 8.257 12.499 -6.411 256 HB3 TYR 29 1HB TYR 29 7.562 14.071 -6.788 257 HD1 TYR 29 1HD TYR 29 8.248 16.067 -5.533 258 HD2 TYR 29 2HD TYR 29 10.040 12.276 -4.809 259 HE1 TYR 29 1HE TYR 29 10.093 17.173 -4.343 260 HE2 TYR 29 2HE TYR 29 11.890 13.372 -3.616 261 HH TYR 29 HH TYR 29 12.857 16.126 -3.852 262 H VAL 30 H VAL 30 5.023 11.354 -4.294 263 HA VAL 30 HA VAL 30 6.888 10.003 -2.515 264 HB VAL 30 HB VAL 30 4.613 10.477 -1.710 265 HG11 VAL 30 1HG1 VAL 30 3.773 9.801 -4.204 266 HG12 VAL 30 2HG1 VAL 30 2.724 9.927 -2.791 267 HG13 VAL 30 3HG1 VAL 30 3.347 8.354 -3.289 268 HG21 VAL 30 3HG2 VAL 30 5.141 7.524 -2.019 269 HG22 VAL 30 1HG2 VAL 30 4.134 8.282 -0.786 270 HG23 VAL 30 2HG2 VAL 30 5.874 8.572 -0.805 271 H ASP 31 H ASP 31 8.148 8.463 -3.317 272 HA ASP 31 HA ASP 31 7.398 7.022 -5.716 273 HB2 ASP 31 2HB ASP 31 9.810 7.856 -4.699 274 HB3 ASP 31 1HB ASP 31 9.821 6.139 -4.313 275 H THR 32 H THR 32 8.164 4.555 -5.587 276 HA THR 32 HA THR 32 6.210 3.205 -4.116 277 HB THR 32 HB THR 32 7.850 1.186 -4.590 278 HG1 THR 32 1HG THR 32 9.206 1.697 -6.363 279 HG21 THR 32 3HG2 THR 32 5.767 2.292 -5.999 280 HG22 THR 32 1HG2 THR 32 6.558 0.753 -6.339 281 HG23 THR 32 2HG2 THR 32 7.070 2.213 -7.184 282 H GLY 33 H GLY 33 9.739 3.219 -3.558 283 HA2 GLY 33 2HA GLY 33 9.634 1.852 -1.102 284 HA3 GLY 33 1HA GLY 33 10.964 2.861 -1.651 285 H ILE 34 H ILE 34 9.370 5.272 -1.871 286 HA ILE 34 HA ILE 34 9.629 6.191 0.812 287 HB ILE 34 HB ILE 34 8.249 7.609 -1.467 288 HG12 ILE 34 2HG1 ILE 34 11.175 7.626 -0.689 289 HG13 ILE 34 1HG1 ILE 34 10.500 6.894 -2.141 290 HG21 ILE 34 1HG2 ILE 34 8.321 8.313 1.142 291 HG22 ILE 34 2HG2 ILE 34 8.223 9.462 -0.192 292 HG23 ILE 34 3HG2 ILE 34 9.782 9.102 0.549 293 HD11 ILE 34 3HD1 ILE 34 11.390 9.551 -1.743 294 HD12 ILE 34 1HD1 ILE 34 9.656 9.593 -2.063 295 HD13 ILE 34 2HD1 ILE 34 10.744 8.810 -3.208 296 H LEU 35 H LEU 35 6.859 5.503 -1.290 297 HA LEU 35 HA LEU 35 4.841 6.367 0.446 298 HB2 LEU 35 2HB LEU 35 4.785 5.561 -2.054 299 HB3 LEU 35 1HB LEU 35 4.428 4.002 -1.335 300 HG LEU 35 HG LEU 35 2.798 6.527 -1.067 301 HD11 LEU 35 1HD1 LEU 35 1.139 4.619 -2.009 302 HD12 LEU 35 2HD1 LEU 35 2.660 4.120 -2.752 303 HD13 LEU 35 3HD1 LEU 35 2.033 5.744 -3.032 304 HD21 LEU 35 3HD2 LEU 35 1.209 4.779 0.056 305 HD22 LEU 35 1HD2 LEU 35 2.465 5.581 1.002 306 HD23 LEU 35 2HD2 LEU 35 2.717 3.937 0.412 307 H ALA 36 H ALA 36 6.435 3.225 0.127 308 HA ALA 36 HA ALA 36 4.832 1.747 1.861 309 HB1 ALA 36 1HB ALA 36 7.748 1.207 1.867 310 HB2 ALA 36 2HB ALA 36 6.902 1.115 0.321 311 HB3 ALA 36 3HB ALA 36 6.389 0.100 1.669 312 H SER 37 H SER 37 7.801 3.576 2.575 313 HA SER 37 HA SER 37 7.851 3.014 5.332 314 HB2 SER 37 2HB SER 37 9.240 4.827 3.489 315 HB3 SER 37 1HB SER 37 9.082 5.468 5.124 316 HG SER 37 HG SER 37 10.741 4.237 5.513 317 H ASP 38 H ASP 38 6.571 5.813 3.548 318 HA ASP 38 HA ASP 38 5.691 7.285 5.751 319 HB2 ASP 38 2HB ASP 38 4.910 7.194 2.861 320 HB3 ASP 38 1HB ASP 38 3.958 8.160 3.985 321 H LEU 39 H LEU 39 3.936 4.927 3.751 322 HA LEU 39 HA LEU 39 1.469 5.111 5.055 323 HB2 LEU 39 2HB LEU 39 2.421 3.724 2.921 324 HB3 LEU 39 1HB LEU 39 2.245 2.435 4.095 325 HG LEU 39 HG LEU 39 -0.117 2.950 4.359 326 HD11 LEU 39 1HD1 LEU 39 -0.524 4.722 2.160 327 HD12 LEU 39 2HD1 LEU 39 0.623 5.451 3.284 328 HD13 LEU 39 3HD1 LEU 39 -0.963 4.935 3.854 329 HD21 LEU 39 3HD2 LEU 39 0.815 1.512 2.446 330 HD22 LEU 39 1HD2 LEU 39 0.393 2.871 1.405 331 HD23 LEU 39 2HD2 LEU 39 -0.861 2.054 2.339 332 H GLN 40 H GLN 40 4.292 3.094 5.728 333 HA GLN 40 HA GLN 40 3.047 1.660 7.865 334 HB2 GLN 40 2HB GLN 40 5.045 0.922 6.441 335 HB3 GLN 40 1HB GLN 40 6.015 1.974 7.462 336 HG2 GLN 40 2HG GLN 40 4.803 0.592 9.375 337 HG3 GLN 40 1HG GLN 40 4.713 -0.608 8.087 338 HE21 GLN 40 1HE2 GLN 40 7.063 -0.156 6.760 339 HE22 GLN 40 2HE2 GLN 40 8.397 -0.545 7.788 340 H ARG 41 H ARG 41 5.016 4.556 7.614 341 HA ARG 41 HA ARG 41 5.693 4.850 10.318 342 HB2 ARG 41 2HB ARG 41 6.344 6.198 8.098 343 HB3 ARG 41 1HB ARG 41 5.123 7.295 8.730 344 HG2 ARG 41 2HG ARG 41 6.606 8.154 10.123 345 HG3 ARG 41 1HG ARG 41 6.829 6.573 10.874 346 HD2 ARG 41 2HD ARG 41 8.969 6.993 10.184 347 HD3 ARG 41 1HD ARG 41 8.344 6.155 8.764 348 HE ARG 41 HE ARG 41 8.024 9.009 8.658 349 HH11 ARG 41 1HH1 ARG 41 10.181 6.346 8.002 350 HH12 ARG 41 2HH1 ARG 41 11.082 7.208 6.801 351 HH21 ARG 41 1HH2 ARG 41 9.207 10.145 7.078 352 HH22 ARG 41 2HH2 ARG 41 10.530 9.365 6.277 353 H LEU 42 H LEU 42 2.932 6.144 8.490 354 HA LEU 42 HA LEU 42 1.755 7.411 10.752 355 HB2 LEU 42 2HB LEU 42 -0.290 7.511 9.264 356 HB3 LEU 42 1HB LEU 42 1.152 8.309 8.670 357 HG LEU 42 HG LEU 42 1.355 5.786 7.566 358 HD11 LEU 42 1HD1 LEU 42 -0.669 5.004 6.857 359 HD12 LEU 42 2HD1 LEU 42 -1.447 6.582 6.979 360 HD13 LEU 42 3HD1 LEU 42 -1.121 5.645 8.436 361 HD21 LEU 42 3HD2 LEU 42 0.780 6.910 5.469 362 HD22 LEU 42 1HD2 LEU 42 1.854 7.898 6.460 363 HD23 LEU 42 2HD2 LEU 42 0.133 8.274 6.380 364 H TYR 43 H TYR 43 1.620 4.206 9.422 365 HA TYR 43 HA TYR 43 -0.405 3.486 11.439 366 HB2 TYR 43 2HB TYR 43 0.078 2.407 8.671 367 HB3 TYR 43 1HB TYR 43 -0.779 1.460 9.884 368 HD1 TYR 43 2HD TYR 43 -2.353 3.586 11.232 369 HD2 TYR 43 1HD TYR 43 -1.571 2.923 7.102 370 HE1 TYR 43 2HE TYR 43 -4.444 4.744 10.656 371 HE2 TYR 43 1HE TYR 43 -3.660 4.079 6.515 372 HH TYR 43 HH TYR 43 -5.156 6.041 7.992 373 H SER 44 H SER 44 2.054 3.622 12.406 374 HA SER 44 HA SER 44 3.693 1.356 12.080 375 HB2 SER 44 2HB SER 44 4.774 2.074 14.169 376 HB3 SER 44 1HB SER 44 4.500 3.445 13.095 377 HG SER 44 HG SER 44 2.514 3.771 14.358 378 H VAL 45 H VAL 45 0.865 1.954 14.027 379 HA VAL 45 HA VAL 45 1.202 -0.278 15.774 380 HB VAL 45 HB VAL 45 -0.182 1.667 16.383 381 HG11 VAL 45 1HG1 VAL 45 -2.406 0.697 14.661 382 HG12 VAL 45 2HG1 VAL 45 -1.153 1.705 13.937 383 HG13 VAL 45 3HG1 VAL 45 -2.093 2.310 15.301 384 HG21 VAL 45 3HG2 VAL 45 -0.610 -0.923 17.020 385 HG22 VAL 45 1HG2 VAL 45 -2.194 -0.482 16.380 386 HG23 VAL 45 2HG2 VAL 45 -1.502 0.427 17.724 387 H ASP 46 H ASP 46 -0.339 0.224 12.667 388 HA ASP 46 HA ASP 46 -1.342 -2.537 12.710 389 HB2 ASP 46 2HB ASP 46 -2.669 -0.289 12.008 390 HB3 ASP 46 1HB ASP 46 -2.037 -0.776 10.438 391 H TYR 47 H TYR 47 -0.009 -0.334 10.238 392 HA TYR 47 HA TYR 47 0.873 -2.386 8.536 393 HB2 TYR 47 2HB TYR 47 1.493 0.536 8.776 394 HB3 TYR 47 1HB TYR 47 2.414 -0.465 7.659 395 HD1 TYR 47 2HD TYR 47 -1.207 -0.582 8.533 396 HD2 TYR 47 1HD TYR 47 1.715 0.179 5.535 397 HE1 TYR 47 2HE TYR 47 -2.993 -0.350 6.859 398 HE2 TYR 47 1HE TYR 47 -0.063 0.413 3.854 399 HH TYR 47 HH TYR 47 -2.362 0.802 3.640 400 H GLY 48 H GLY 48 2.358 -0.883 11.308 401 HA2 GLY 48 2HA GLY 48 5.042 -1.480 10.864 402 HA3 GLY 48 1HA GLY 48 4.290 -1.375 12.448 403 H ARG 49 H ARG 49 5.656 -3.426 10.101 404 HA ARG 49 HA ARG 49 4.962 -5.774 11.741 405 HB2 ARG 49 2HB ARG 49 4.951 -5.412 8.784 406 HB3 ARG 49 1HB ARG 49 5.464 -6.970 9.418 407 HG2 ARG 49 2HG ARG 49 2.938 -5.814 10.460 408 HG3 ARG 49 1HG ARG 49 2.944 -6.461 8.819 409 HD2 ARG 49 2HD ARG 49 3.915 -8.572 9.745 410 HD3 ARG 49 1HD ARG 49 3.665 -7.912 11.360 411 HE ARG 49 HE ARG 49 1.427 -8.363 11.164 412 HH11 ARG 49 1HH1 ARG 49 2.912 -8.594 8.015 413 HH12 ARG 49 2HH1 ARG 49 1.503 -9.260 7.261 414 HH21 ARG 49 1HH2 ARG 49 -0.428 -9.240 10.175 415 HH22 ARG 49 2HH2 ARG 49 -0.394 -9.626 8.487 416 H ARG 50 H ARG 50 6.590 -7.648 11.069 417 HA ARG 50 HA ARG 50 9.207 -6.631 11.762 418 HB2 ARG 50 2HB ARG 50 8.128 -9.429 11.406 419 HB3 ARG 50 1HB ARG 50 9.802 -9.085 11.820 420 HG2 ARG 50 2HG ARG 50 9.200 -8.165 13.910 421 HG3 ARG 50 1HG ARG 50 7.492 -8.103 13.470 422 HD2 ARG 50 2HD ARG 50 8.255 -10.777 13.155 423 HD3 ARG 50 1HD ARG 50 9.005 -10.247 14.660 424 HE ARG 50 HE ARG 50 6.926 -10.103 15.616 425 HH11 ARG 50 1HH1 ARG 50 6.574 -10.408 12.157 426 HH12 ARG 50 2HH1 ARG 50 4.860 -10.646 12.227 427 HH21 ARG 50 1HH2 ARG 50 4.672 -10.417 15.709 428 HH22 ARG 50 2HH2 ARG 50 3.780 -10.651 14.243 429 H LYS 51 H LYS 51 7.591 -7.991 8.978 430 HA LYS 51 HA LYS 51 10.037 -8.340 7.481 431 HB2 LYS 51 2HB LYS 51 7.194 -8.972 7.115 432 HB3 LYS 51 1HB LYS 51 8.010 -8.483 5.637 433 HG2 LYS 51 2HG LYS 51 8.843 -10.723 7.469 434 HG3 LYS 51 1HG LYS 51 8.064 -10.890 5.895 435 HD2 LYS 51 2HD LYS 51 10.148 -11.056 5.086 436 HD3 LYS 51 1HD LYS 51 10.221 -9.307 5.311 437 HE2 LYS 51 2HE LYS 51 11.995 -9.706 6.607 438 HE3 LYS 51 1HE LYS 51 10.836 -10.271 7.810 439 HZ1 LYS 51 3HZ LYS 51 12.680 -11.785 6.160 440 HZ2 LYS 51 1HZ LYS 51 11.139 -12.466 6.332 441 HZ3 LYS 51 2HZ LYS 51 12.072 -12.127 7.702 442 H ARG 52 H ARG 52 10.857 -6.181 7.606 443 HA ARG 52 HA ARG 52 9.450 -3.931 6.631 444 HB2 ARG 52 2HB ARG 52 12.381 -4.492 7.049 445 HB3 ARG 52 1HB ARG 52 11.804 -2.952 6.428 446 HG2 ARG 52 2HG ARG 52 10.770 -2.387 8.425 447 HG3 ARG 52 1HG ARG 52 10.721 -4.060 8.985 448 HD2 ARG 52 2HD ARG 52 12.738 -3.901 9.928 449 HD3 ARG 52 1HD ARG 52 13.432 -3.145 8.495 450 HE ARG 52 HE ARG 52 11.989 -1.150 9.634 451 HH11 ARG 52 1HH1 ARG 52 14.464 -3.310 10.813 452 HH12 ARG 52 2HH1 ARG 52 15.077 -2.176 11.969 453 HH21 ARG 52 1HH2 ARG 52 12.795 0.342 11.153 454 HH22 ARG 52 2HH2 ARG 52 14.129 -0.103 12.163 455 H ASN 53 H ASN 53 11.870 -6.054 5.124 456 HA ASN 53 HA ASN 53 11.913 -4.740 2.630 457 HB2 ASN 53 2HB ASN 53 13.580 -6.451 3.567 458 HB3 ASN 53 1HB ASN 53 12.451 -7.680 3.005 459 HD21 ASN 53 1HD2 ASN 53 15.074 -5.804 2.197 460 HD22 ASN 53 2HD2 ASN 53 15.038 -6.013 0.482 461 H ALA 54 H ALA 54 10.134 -7.609 3.745 462 HA ALA 54 HA ALA 54 8.828 -8.199 1.348 463 HB1 ALA 54 1HB ALA 54 7.264 -8.691 3.784 464 HB2 ALA 54 2HB ALA 54 8.906 -9.336 3.810 465 HB3 ALA 54 3HB ALA 54 7.793 -9.808 2.526 466 H PHE 55 H PHE 55 7.717 -6.230 4.098 467 HA PHE 55 HA PHE 55 5.230 -5.513 3.047 468 HB2 PHE 55 2HB PHE 55 6.297 -5.125 5.417 469 HB3 PHE 55 1HB PHE 55 6.789 -3.583 4.724 470 HD1 PHE 55 2HD PHE 55 5.078 -1.975 3.951 471 HD2 PHE 55 1HD PHE 55 4.048 -5.539 6.033 472 HE1 PHE 55 2HE PHE 55 2.853 -1.043 4.438 473 HE2 PHE 55 1HE PHE 55 1.821 -4.615 6.524 474 HZ PHE 55 HZ PHE 55 1.221 -2.364 5.726 475 H ARG 56 H ARG 56 8.409 -4.018 2.678 476 HA ARG 56 HA ARG 56 7.608 -1.691 1.343 477 HB2 ARG 56 2HB ARG 56 9.980 -2.634 2.223 478 HB3 ARG 56 1HB ARG 56 10.162 -2.929 0.499 479 HG2 ARG 56 2HG ARG 56 11.001 -0.831 0.577 480 HG3 ARG 56 1HG ARG 56 9.296 -0.422 0.372 481 HD2 ARG 56 2HD ARG 56 9.936 0.938 2.137 482 HD3 ARG 56 1HD ARG 56 9.224 -0.452 2.957 483 HE ARG 56 HE ARG 56 11.284 -0.958 3.822 484 HH11 ARG 56 1HH1 ARG 56 11.678 1.344 1.228 485 HH12 ARG 56 2HH1 ARG 56 13.356 1.613 1.555 486 HH21 ARG 56 1HH2 ARG 56 13.492 -0.605 4.252 487 HH22 ARG 56 2HH2 ARG 56 14.387 0.507 3.271 488 H ILE 57 H ILE 57 8.439 -4.905 0.112 489 HA ILE 57 HA ILE 57 8.305 -4.298 -2.626 490 HB ILE 57 HB ILE 57 7.624 -6.943 -1.338 491 HG12 ILE 57 2HG1 ILE 57 10.317 -6.446 -2.473 492 HG13 ILE 57 1HG1 ILE 57 9.957 -5.644 -0.948 493 HG21 ILE 57 1HG2 ILE 57 7.077 -7.374 -3.484 494 HG22 ILE 57 2HG2 ILE 57 8.822 -7.553 -3.667 495 HG23 ILE 57 3HG2 ILE 57 8.041 -6.036 -4.110 496 HD11 ILE 57 3HD1 ILE 57 9.089 -8.280 -0.637 497 HD12 ILE 57 1HD1 ILE 57 10.507 -7.519 0.083 498 HD13 ILE 57 2HD1 ILE 57 10.650 -8.375 -1.452 499 H GLN 58 H GLN 58 5.828 -5.345 -0.328 500 HA GLN 58 HA GLN 58 3.741 -5.761 -2.144 501 HB2 GLN 58 2HB GLN 58 4.062 -5.672 0.683 502 HB3 GLN 58 1HB GLN 58 2.682 -4.664 0.272 503 HG2 GLN 58 2HG GLN 58 3.081 -7.559 -0.439 504 HG3 GLN 58 1HG GLN 58 1.934 -6.896 0.726 505 HE21 GLN 58 1HE2 GLN 58 0.661 -4.959 -0.438 506 HE22 GLN 58 2HE2 GLN 58 -0.112 -5.449 -1.903 507 H VAL 59 H VAL 59 4.703 -2.834 -0.382 508 HA VAL 59 HA VAL 59 2.642 -1.179 -1.368 509 HB VAL 59 HB VAL 59 5.396 -0.286 -0.509 510 HG11 VAL 59 1HG1 VAL 59 3.074 1.360 0.149 511 HG12 VAL 59 2HG1 VAL 59 3.351 1.182 -1.583 512 HG13 VAL 59 3HG1 VAL 59 4.629 1.816 -0.545 513 HG21 VAL 59 3HG2 VAL 59 3.188 -1.446 1.022 514 HG22 VAL 59 1HG2 VAL 59 3.774 0.092 1.654 515 HG23 VAL 59 2HG2 VAL 59 4.888 -1.259 1.447 516 H GLU 60 H GLU 60 5.871 -1.944 -2.552 517 HA GLU 60 HA GLU 60 6.049 -0.010 -4.570 518 HB2 GLU 60 2HB GLU 60 7.233 -2.786 -4.416 519 HB3 GLU 60 1HB GLU 60 7.673 -1.595 -5.632 520 HG2 GLU 60 2HG GLU 60 7.959 -0.259 -3.216 521 HG3 GLU 60 1HG GLU 60 8.583 -1.880 -2.909 522 H LYS 61 H LYS 61 4.807 -3.334 -4.659 523 HA LYS 61 HA LYS 61 4.069 -3.218 -7.413 524 HB2 LYS 61 2HB LYS 61 3.911 -5.153 -5.225 525 HB3 LYS 61 1HB LYS 61 2.518 -5.215 -6.297 526 HG2 LYS 61 2HG LYS 61 4.220 -6.780 -7.010 527 HG3 LYS 61 1HG LYS 61 4.004 -5.509 -8.214 528 HD2 LYS 61 2HD LYS 61 6.200 -5.155 -8.126 529 HD3 LYS 61 1HD LYS 61 5.982 -4.557 -6.482 530 HE2 LYS 61 2HE LYS 61 7.524 -6.200 -6.102 531 HE3 LYS 61 1HE LYS 61 6.037 -7.127 -5.904 532 HZ1 LYS 61 3HZ LYS 61 6.253 -7.792 -8.260 533 HZ2 LYS 61 1HZ LYS 61 7.528 -8.344 -7.294 534 HZ3 LYS 61 2HZ LYS 61 7.756 -7.020 -8.321 535 H VAL 62 H VAL 62 2.464 -2.541 -4.376 536 HA VAL 62 HA VAL 62 -0.176 -2.399 -5.380 537 HB VAL 62 HB VAL 62 1.154 -1.343 -2.904 538 HG11 VAL 62 1HG1 VAL 62 -1.471 -0.523 -4.026 539 HG12 VAL 62 2HG1 VAL 62 -0.336 0.381 -3.025 540 HG13 VAL 62 3HG1 VAL 62 -1.381 -0.836 -2.293 541 HG21 VAL 62 3HG2 VAL 62 0.582 -3.385 -2.227 542 HG22 VAL 62 1HG2 VAL 62 -0.383 -3.667 -3.678 543 HG23 VAL 62 2HG2 VAL 62 -1.098 -2.852 -2.287 544 H PHE 63 H PHE 63 2.480 -0.130 -5.272 545 HA PHE 63 HA PHE 63 0.942 2.193 -5.865 546 HB2 PHE 63 2HB PHE 63 3.185 2.296 -4.830 547 HB3 PHE 63 1HB PHE 63 3.890 1.678 -6.320 548 HD1 PHE 63 2HD PHE 63 2.150 4.543 -4.791 549 HD2 PHE 63 1HD PHE 63 4.292 3.098 -8.173 550 HE1 PHE 63 2HE PHE 63 2.355 6.844 -5.640 551 HE2 PHE 63 1HE PHE 63 4.502 5.395 -9.027 552 HZ PHE 63 HZ PHE 63 3.532 7.272 -7.761 553 H SER 64 H SER 64 2.757 -0.132 -7.810 554 HA SER 64 HA SER 64 2.327 1.241 -10.279 555 HB2 SER 64 2HB SER 64 3.587 -1.294 -9.417 556 HB3 SER 64 1HB SER 64 2.965 -1.266 -11.067 557 HG SER 64 HG SER 64 4.388 0.256 -11.600 558 H ILE 65 H ILE 65 0.643 -1.261 -8.503 559 HA ILE 65 HA ILE 65 -1.022 -2.056 -10.694 560 HB ILE 65 HB ILE 65 -0.444 -3.486 -8.692 561 HG12 ILE 65 2HG1 ILE 65 -3.417 -3.292 -9.128 562 HG13 ILE 65 1HG1 ILE 65 -2.332 -3.850 -10.398 563 HG21 ILE 65 1HG2 ILE 65 -0.966 -1.724 -7.013 564 HG22 ILE 65 2HG2 ILE 65 -1.703 -3.287 -6.679 565 HG23 ILE 65 3HG2 ILE 65 -2.675 -1.977 -7.350 566 HD11 ILE 65 3HD1 ILE 65 -2.518 -5.103 -7.672 567 HD12 ILE 65 1HD1 ILE 65 -1.638 -5.711 -9.073 568 HD13 ILE 65 2HD1 ILE 65 -3.401 -5.665 -9.091 569 H ILE 66 H ILE 66 -1.528 0.006 -7.829 570 HA ILE 66 HA ILE 66 -4.219 0.579 -8.189 571 HB ILE 66 HB ILE 66 -3.789 2.712 -7.007 572 HG12 ILE 66 2HG1 ILE 66 -0.889 1.873 -7.209 573 HG13 ILE 66 1HG1 ILE 66 -1.622 3.247 -8.031 574 HG21 ILE 66 1HG2 ILE 66 -2.776 0.100 -6.016 575 HG22 ILE 66 2HG2 ILE 66 -4.150 1.063 -5.472 576 HG23 ILE 66 3HG2 ILE 66 -2.511 1.533 -5.023 577 HD11 ILE 66 3HD1 ILE 66 -2.263 3.861 -5.519 578 HD12 ILE 66 1HD1 ILE 66 -0.747 4.351 -6.274 579 HD13 ILE 66 2HD1 ILE 66 -0.792 2.937 -5.220 580 H SER 67 H SER 67 -1.405 1.997 -9.771 581 HA SER 67 HA SER 67 -2.816 4.105 -11.045 582 HB2 SER 67 2HB SER 67 -0.650 3.666 -12.667 583 HB3 SER 67 1HB SER 67 -0.631 4.656 -11.209 584 HG SER 67 HG SER 67 1.004 2.915 -11.414 585 H SER 68 H SER 68 -1.744 0.909 -12.171 586 HA SER 68 HA SER 68 -2.938 1.203 -14.748 587 HB2 SER 68 2HB SER 68 -1.098 -0.264 -14.674 588 HB3 SER 68 1HB SER 68 -1.721 -1.113 -13.259 589 HG SER 68 HG SER 68 -1.973 -2.236 -15.306 590 H GLU 69 H GLU 69 -3.803 -0.710 -11.869 591 HA GLU 69 HA GLU 69 -6.098 -1.893 -12.896 592 HB2 GLU 69 2HB GLU 69 -5.048 -1.362 -10.178 593 HB3 GLU 69 1HB GLU 69 -6.763 -1.725 -10.299 594 HG2 GLU 69 2HG GLU 69 -5.876 -3.714 -11.788 595 HG3 GLU 69 1HG GLU 69 -4.413 -3.450 -10.840 596 H LYS 70 H LYS 70 -5.827 1.129 -11.010 597 HA LYS 70 HA LYS 70 -8.641 1.662 -11.355 598 HB2 LYS 70 2HB LYS 70 -6.401 3.161 -10.029 599 HB3 LYS 70 1HB LYS 70 -7.980 3.891 -10.257 600 HG2 LYS 70 2HG LYS 70 -8.089 3.039 -8.110 601 HG3 LYS 70 1HG LYS 70 -8.890 1.798 -9.076 602 HD2 LYS 70 2HD LYS 70 -6.699 0.585 -9.170 603 HD3 LYS 70 1HD LYS 70 -6.071 1.757 -8.008 604 HE2 LYS 70 2HE LYS 70 -6.739 -0.025 -6.669 605 HE3 LYS 70 1HE LYS 70 -8.098 1.094 -6.568 606 HZ1 LYS 70 3HZ LYS 70 -8.808 -1.204 -6.918 607 HZ2 LYS 70 1HZ LYS 70 -7.956 -1.255 -8.380 608 HZ3 LYS 70 2HZ LYS 70 -9.273 -0.210 -8.206 609 H GLU 71 H GLU 71 -5.596 3.021 -12.557 610 HA GLU 71 HA GLU 71 -5.114 4.296 -14.378 611 HB2 GLU 71 2HB GLU 71 -7.606 2.901 -15.147 612 HB3 GLU 71 1HB GLU 71 -7.210 4.331 -16.090 613 HG2 GLU 71 2HG GLU 71 -5.171 3.413 -16.818 614 HG3 GLU 71 1HG GLU 71 -5.235 2.123 -15.618 615 H LEU 72 H LEU 72 -5.395 6.398 -15.194 616 HA LEU 72 HA LEU 72 -6.596 8.228 -13.450 617 HB2 LEU 72 2HB LEU 72 -6.111 9.914 -15.167 618 HB3 LEU 72 1HB LEU 72 -4.744 8.856 -14.871 619 HG LEU 72 HG LEU 72 -5.801 7.549 -16.945 620 HD11 LEU 72 1HD1 LEU 72 -7.527 9.614 -16.881 621 HD12 LEU 72 2HD1 LEU 72 -7.094 8.742 -18.352 622 HD13 LEU 72 3HD1 LEU 72 -6.297 10.268 -17.964 623 HD21 LEU 72 3HD2 LEU 72 -4.219 8.765 -18.375 624 HD22 LEU 72 1HD2 LEU 72 -3.518 8.363 -16.807 625 HD23 LEU 72 2HD2 LEU 72 -4.064 10.008 -17.133 626 H LYS 73 H LYS 73 -8.523 9.269 -13.419 627 HA LYS 73 HA LYS 73 -10.726 9.674 -13.811 628 HB2 LYS 73 2HB LYS 73 -9.407 10.084 -16.230 629 HB3 LYS 73 1HB LYS 73 -10.783 9.077 -16.656 630 HG2 LYS 73 2HG LYS 73 -12.248 10.733 -16.336 631 HG3 LYS 73 1HG LYS 73 -11.449 11.287 -14.863 632 HD2 LYS 73 2HD LYS 73 -9.994 11.768 -17.386 633 HD3 LYS 73 1HD LYS 73 -11.483 12.689 -17.165 634 HE2 LYS 73 2HE LYS 73 -10.682 13.782 -15.288 635 HE3 LYS 73 1HE LYS 73 -9.476 12.540 -14.954 636 HZ1 LYS 73 3HZ LYS 73 -8.030 13.404 -16.473 637 HZ2 LYS 73 1HZ LYS 73 -8.800 14.829 -15.986 638 HZ3 LYS 73 2HZ LYS 73 -9.243 14.082 -17.437 639 H ASN 74 H ASN 74 -11.728 8.016 -12.770 640 HA ASN 74 HA ASN 74 -11.871 5.369 -13.841 641 HB2 ASN 74 2HB ASN 74 -12.156 6.374 -11.348 642 HB3 ASN 74 1HB ASN 74 -13.849 6.194 -11.798 643 HD21 ASN 74 1HD2 ASN 74 -12.376 4.768 -9.778 644 HD22 ASN 74 2HD2 ASN 74 -12.449 3.093 -10.198 Start of MODEL 10 1 H MET 1 H MET 1 -20.785 -9.598 -5.685 2 HA MET 1 HA MET 1 -20.067 -10.133 -7.820 3 HB2 MET 1 2HB MET 1 -21.339 -9.134 -9.783 4 HB3 MET 1 1HB MET 1 -22.121 -10.473 -8.953 5 HG2 MET 1 2HG MET 1 -23.514 -8.878 -7.718 6 HG3 MET 1 1HG MET 1 -22.746 -7.551 -8.590 7 HE1 MET 1 2HE MET 1 -22.367 -7.807 -11.068 8 HE2 MET 1 3HE MET 1 -23.854 -6.936 -11.446 9 HE3 MET 1 1HE MET 1 -23.516 -8.483 -12.223 10 H LYS 2 H LYS 2 -18.293 -8.910 -7.616 11 HA LYS 2 HA LYS 2 -18.566 -5.994 -7.535 12 HB2 LYS 2 2HB LYS 2 -17.072 -7.619 -5.973 13 HB3 LYS 2 1HB LYS 2 -15.897 -7.230 -7.222 14 HG2 LYS 2 2HG LYS 2 -15.609 -5.154 -6.461 15 HG3 LYS 2 1HG LYS 2 -17.342 -4.896 -6.245 16 HD2 LYS 2 2HD LYS 2 -17.288 -6.079 -4.132 17 HD3 LYS 2 1HD LYS 2 -15.580 -6.461 -4.360 18 HE2 LYS 2 2HE LYS 2 -14.911 -4.424 -3.691 19 HE3 LYS 2 1HE LYS 2 -16.213 -3.608 -4.554 20 HZ1 LYS 2 3HZ LYS 2 -16.208 -4.716 -1.830 21 HZ2 LYS 2 1HZ LYS 2 -17.669 -4.587 -2.674 22 HZ3 LYS 2 2HZ LYS 2 -16.743 -3.206 -2.368 23 HA PRO 3 HA PRO 3 -17.104 -5.777 -11.722 24 HB2 PRO 3 2HB PRO 3 -16.735 -3.133 -11.919 25 HB3 PRO 3 1HB PRO 3 -18.352 -3.829 -11.760 26 HG2 PRO 3 2HG PRO 3 -16.629 -2.545 -9.679 27 HG3 PRO 3 1HG PRO 3 -18.371 -2.366 -9.955 28 HD2 PRO 3 2HD PRO 3 -17.269 -4.009 -8.044 29 HD3 PRO 3 1HD PRO 3 -18.871 -4.253 -8.766 30 H ARG 4 H ARG 4 -15.158 -5.450 -9.056 31 HA ARG 4 HA ARG 4 -12.769 -5.236 -10.738 32 HB2 ARG 4 2HB ARG 4 -13.285 -3.691 -8.198 33 HB3 ARG 4 1HB ARG 4 -11.687 -3.880 -8.906 34 HG2 ARG 4 2HG ARG 4 -13.095 -2.974 -11.038 35 HG3 ARG 4 1HG ARG 4 -13.916 -2.156 -9.708 36 HD2 ARG 4 2HD ARG 4 -11.154 -1.956 -9.196 37 HD3 ARG 4 1HD ARG 4 -11.377 -1.576 -10.903 38 HE ARG 4 HE ARG 4 -13.218 -0.227 -9.147 39 HH11 ARG 4 1HH1 ARG 4 -10.074 -0.102 -10.659 40 HH12 ARG 4 2HH1 ARG 4 -9.954 1.622 -10.553 41 HH21 ARG 4 1HH2 ARG 4 -13.060 2.040 -9.008 42 HH22 ARG 4 2HH2 ARG 4 -11.649 2.838 -9.616 43 HA PRO 5 HA PRO 5 -12.360 -8.958 -8.116 44 HB2 PRO 5 2HB PRO 5 -10.642 -10.238 -9.783 45 HB3 PRO 5 1HB PRO 5 -12.394 -10.252 -10.015 46 HG2 PRO 5 2HG PRO 5 -10.318 -8.561 -11.356 47 HG3 PRO 5 1HG PRO 5 -11.716 -9.391 -12.066 48 HD2 PRO 5 2HD PRO 5 -11.729 -6.744 -11.507 49 HD3 PRO 5 1HD PRO 5 -13.189 -7.746 -11.400 50 H GLY 6 H GLY 6 -10.890 -9.279 -6.545 51 HA2 GLY 6 2HA GLY 6 -8.104 -8.985 -6.831 52 HA3 GLY 6 1HA GLY 6 -8.757 -7.508 -6.137 53 H VAL 7 H VAL 7 -7.127 -10.031 -5.219 54 HA VAL 7 HA VAL 7 -8.062 -9.926 -2.514 55 HB VAL 7 HB VAL 7 -9.660 -11.557 -3.419 56 HG11 VAL 7 1HG1 VAL 7 -7.634 -13.652 -3.820 57 HG12 VAL 7 2HG1 VAL 7 -7.664 -12.384 -5.046 58 HG13 VAL 7 3HG1 VAL 7 -9.121 -13.320 -4.709 59 HG21 VAL 7 3HG2 VAL 7 -9.367 -13.248 -1.751 60 HG22 VAL 7 1HG2 VAL 7 -8.785 -11.722 -1.085 61 HG23 VAL 7 2HG2 VAL 7 -7.634 -12.929 -1.658 62 H PHE 8 H PHE 8 -6.672 -11.118 -1.038 63 HA PHE 8 HA PHE 8 -4.634 -11.743 -0.248 64 HB2 PHE 8 2HB PHE 8 -5.158 -13.516 -2.188 65 HB3 PHE 8 1HB PHE 8 -3.725 -12.770 -2.887 66 HD1 PHE 8 2HD PHE 8 -4.873 -14.091 0.411 67 HD2 PHE 8 1HD PHE 8 -1.708 -13.744 -2.413 68 HE1 PHE 8 2HE PHE 8 -3.450 -15.501 1.838 69 HE2 PHE 8 1HE PHE 8 -0.279 -15.154 -0.991 70 HZ PHE 8 HZ PHE 8 -1.150 -16.034 1.139 71 H VAL 9 H VAL 9 -2.148 -11.617 -0.862 72 HA VAL 9 HA VAL 9 -0.359 -10.285 -1.318 73 HB VAL 9 HB VAL 9 -2.035 -8.973 -3.454 74 HG11 VAL 9 1HG1 VAL 9 -0.116 -7.746 -3.418 75 HG12 VAL 9 2HG1 VAL 9 0.408 -9.051 -4.481 76 HG13 VAL 9 3HG1 VAL 9 0.852 -9.072 -2.774 77 HG21 VAL 9 3HG2 VAL 9 -2.272 -11.159 -4.112 78 HG22 VAL 9 1HG2 VAL 9 -0.748 -11.660 -3.378 79 HG23 VAL 9 2HG2 VAL 9 -0.742 -10.753 -4.891 80 H ASP 10 H ASP 10 -2.463 -9.459 0.566 81 HA ASP 10 HA ASP 10 -2.998 -7.695 1.896 82 HB2 ASP 10 2HB ASP 10 -0.308 -7.073 0.851 83 HB3 ASP 10 1HB ASP 10 -1.194 -5.698 1.502 84 H ARG 11 H ARG 11 -4.917 -7.346 0.628 85 HA ARG 11 HA ARG 11 -4.985 -5.520 -1.544 86 HB2 ARG 11 2HB ARG 11 -6.703 -7.317 -0.955 87 HB3 ARG 11 1HB ARG 11 -7.314 -6.190 0.248 88 HG2 ARG 11 2HG ARG 11 -8.332 -4.908 -1.282 89 HG3 ARG 11 1HG ARG 11 -7.008 -5.061 -2.439 90 HD2 ARG 11 2HD ARG 11 -7.804 -7.141 -3.222 91 HD3 ARG 11 1HD ARG 11 -8.913 -7.313 -1.861 92 HE ARG 11 HE ARG 11 -10.439 -6.032 -2.988 93 HH11 ARG 11 1HH1 ARG 11 -7.315 -5.656 -4.499 94 HH12 ARG 11 2HH1 ARG 11 -7.935 -4.759 -5.845 95 HH21 ARG 11 1HH2 ARG 11 -11.254 -4.850 -4.755 96 HH22 ARG 11 2HH2 ARG 11 -10.171 -4.300 -5.989 97 H LYS 12 H LYS 12 -5.234 -5.179 1.922 98 HA LYS 12 HA LYS 12 -6.428 -2.682 2.139 99 HB2 LYS 12 2HB LYS 12 -5.383 -2.509 4.307 100 HB3 LYS 12 1HB LYS 12 -5.882 -4.174 4.044 101 HG2 LYS 12 2HG LYS 12 -3.419 -4.453 3.196 102 HG3 LYS 12 1HG LYS 12 -3.148 -3.014 4.181 103 HD2 LYS 12 2HD LYS 12 -2.741 -4.713 5.695 104 HD3 LYS 12 1HD LYS 12 -4.441 -4.350 6.004 105 HE2 LYS 12 2HE LYS 12 -3.901 -6.378 3.929 106 HE3 LYS 12 1HE LYS 12 -3.490 -6.835 5.582 107 HZ1 LYS 12 3HZ LYS 12 -5.684 -7.492 5.361 108 HZ2 LYS 12 1HZ LYS 12 -6.126 -6.127 4.463 109 HZ3 LYS 12 2HZ LYS 12 -5.834 -5.989 6.123 110 H LEU 13 H LEU 13 -3.077 -3.529 1.465 111 HA LEU 13 HA LEU 13 -1.907 -1.014 1.710 112 HB2 LEU 13 2HB LEU 13 -0.955 -3.436 1.131 113 HB3 LEU 13 1HB LEU 13 -1.002 -2.787 -0.497 114 HG LEU 13 HG LEU 13 1.197 -2.444 0.375 115 HD11 LEU 13 1HD1 LEU 13 -0.292 0.173 0.521 116 HD12 LEU 13 2HD1 LEU 13 0.217 -0.621 -0.970 117 HD13 LEU 13 3HD1 LEU 13 1.424 -0.050 0.182 118 HD21 LEU 13 3HD2 LEU 13 1.632 -1.211 2.423 119 HD22 LEU 13 1HD2 LEU 13 0.636 -2.627 2.757 120 HD23 LEU 13 2HD2 LEU 13 -0.100 -1.025 2.700 121 H LYS 14 H LYS 14 -3.564 -2.491 -1.045 122 HA LYS 14 HA LYS 14 -3.068 -0.281 -2.798 123 HB2 LYS 14 2HB LYS 14 -3.507 -2.655 -3.530 124 HB3 LYS 14 1HB LYS 14 -5.191 -2.407 -3.092 125 HG2 LYS 14 2HG LYS 14 -4.899 -0.305 -4.684 126 HG3 LYS 14 1HG LYS 14 -3.643 -1.334 -5.376 127 HD2 LYS 14 2HD LYS 14 -5.501 -1.936 -6.614 128 HD3 LYS 14 1HD LYS 14 -5.490 -3.162 -5.346 129 HE2 LYS 14 2HE LYS 14 -7.004 -0.651 -4.860 130 HE3 LYS 14 1HE LYS 14 -7.686 -1.828 -5.981 131 HZ1 LYS 14 3HZ LYS 14 -8.544 -2.670 -4.095 132 HZ2 LYS 14 1HZ LYS 14 -7.358 -1.987 -3.101 133 HZ3 LYS 14 2HZ LYS 14 -7.030 -3.411 -3.952 134 H GLN 15 H GLN 15 -5.965 -1.475 -1.106 135 HA GLN 15 HA GLN 15 -7.699 0.574 -1.875 136 HB2 GLN 15 2HB GLN 15 -8.365 -1.572 -0.786 137 HB3 GLN 15 1HB GLN 15 -7.748 -0.946 0.737 138 HG2 GLN 15 2HG GLN 15 -9.786 -0.164 1.108 139 HG3 GLN 15 1HG GLN 15 -9.457 1.038 -0.140 140 HE21 GLN 15 1HE2 GLN 15 -11.985 -0.160 0.630 141 HE22 GLN 15 2HE2 GLN 15 -12.615 -0.922 -0.787 142 H ARG 16 H ARG 16 -5.655 0.295 1.021 143 HA ARG 16 HA ARG 16 -6.449 2.745 2.173 144 HB2 ARG 16 2HB ARG 16 -5.130 0.736 3.196 145 HB3 ARG 16 1HB ARG 16 -3.714 1.589 2.596 146 HG2 ARG 16 2HG ARG 16 -3.756 2.572 4.608 147 HG3 ARG 16 1HG ARG 16 -4.991 3.596 3.875 148 HD2 ARG 16 2HD ARG 16 -6.425 1.406 4.719 149 HD3 ARG 16 1HD ARG 16 -5.219 1.601 5.990 150 HE ARG 16 HE ARG 16 -6.187 3.618 6.583 151 HH11 ARG 16 1HH1 ARG 16 -7.673 2.387 3.671 152 HH12 ARG 16 2HH1 ARG 16 -8.994 3.504 3.728 153 HH21 ARG 16 1HH2 ARG 16 -7.924 5.085 6.653 154 HH22 ARG 16 2HH2 ARG 16 -9.137 5.034 5.418 155 H VAL 17 H VAL 17 -3.814 1.886 -0.023 156 HA VAL 17 HA VAL 17 -2.548 4.412 -0.002 157 HB VAL 17 HB VAL 17 -2.463 2.062 -1.860 158 HG11 VAL 17 1HG1 VAL 17 -2.230 3.656 -3.514 159 HG12 VAL 17 2HG1 VAL 17 -0.558 3.413 -3.011 160 HG13 VAL 17 3HG1 VAL 17 -1.458 4.817 -2.435 161 HG21 VAL 17 3HG2 VAL 17 -0.393 1.673 -0.971 162 HG22 VAL 17 1HG2 VAL 17 -1.173 2.458 0.402 163 HG23 VAL 17 2HG2 VAL 17 -0.092 3.381 -0.643 164 H ILE 18 H ILE 18 -4.827 2.963 -2.348 165 HA ILE 18 HA ILE 18 -5.019 5.138 -4.065 166 HB ILE 18 HB ILE 18 -7.190 4.268 -4.772 167 HG12 ILE 18 2HG1 ILE 18 -6.944 2.296 -2.494 168 HG13 ILE 18 1HG1 ILE 18 -8.002 3.702 -2.469 169 HG21 ILE 18 1HG2 ILE 18 -4.758 2.985 -4.933 170 HG22 ILE 18 2HG2 ILE 18 -6.189 2.628 -5.899 171 HG23 ILE 18 3HG2 ILE 18 -5.863 1.705 -4.432 172 HD11 ILE 18 3HD1 ILE 18 -9.296 1.786 -3.037 173 HD12 ILE 18 1HD1 ILE 18 -8.165 1.335 -4.312 174 HD13 ILE 18 2HD1 ILE 18 -9.145 2.792 -4.477 175 H GLN 19 H GLN 19 -6.625 4.537 -1.003 176 HA GLN 19 HA GLN 19 -8.461 6.712 -1.209 177 HB2 GLN 19 2HB GLN 19 -7.593 4.837 0.940 178 HB3 GLN 19 1HB GLN 19 -8.394 6.326 1.424 179 HG2 GLN 19 2HG GLN 19 -10.001 5.378 -0.597 180 HG3 GLN 19 1HG GLN 19 -9.492 3.912 0.240 181 HE21 GLN 19 1HE2 GLN 19 -12.100 4.556 0.270 182 HE22 GLN 19 2HE2 GLN 19 -12.578 5.104 1.838 183 H TYR 20 H TYR 20 -5.195 6.327 -0.015 184 HA TYR 20 HA TYR 20 -5.096 8.834 1.356 185 HB2 TYR 20 2HB TYR 20 -3.185 6.670 0.690 186 HB3 TYR 20 1HB TYR 20 -2.490 8.268 0.939 187 HD1 TYR 20 1HD TYR 20 -4.237 9.337 3.067 188 HD2 TYR 20 2HD TYR 20 -2.556 5.458 2.580 189 HE1 TYR 20 1HE TYR 20 -4.329 8.999 5.500 190 HE2 TYR 20 2HE TYR 20 -2.645 5.109 5.013 191 HH TYR 20 HH TYR 20 -2.928 7.439 7.196 192 H LEU 21 H LEU 21 -4.144 7.708 -1.857 193 HA LEU 21 HA LEU 21 -2.906 10.171 -2.611 194 HB2 LEU 21 2HB LEU 21 -4.015 8.217 -4.592 195 HB3 LEU 21 1HB LEU 21 -2.591 9.230 -4.724 196 HG LEU 21 HG LEU 21 -2.442 7.228 -2.578 197 HD11 LEU 21 1HD1 LEU 21 -3.059 5.440 -3.732 198 HD12 LEU 21 2HD1 LEU 21 -1.767 5.777 -4.882 199 HD13 LEU 21 3HD1 LEU 21 -3.383 6.422 -5.160 200 HD21 LEU 21 3HD2 LEU 21 -0.561 7.692 -4.868 201 HD22 LEU 21 1HD2 LEU 21 -0.208 7.060 -3.260 202 HD23 LEU 21 2HD2 LEU 21 -0.616 8.763 -3.467 203 H SER 22 H SER 22 -6.056 8.679 -3.293 204 HA SER 22 HA SER 22 -7.072 10.677 -4.959 205 HB2 SER 22 2HB SER 22 -8.052 8.365 -4.483 206 HB3 SER 22 1HB SER 22 -8.754 9.076 -3.031 207 HG SER 22 HG SER 22 -10.141 9.097 -4.916 208 H SER 23 H SER 23 -7.392 10.282 -1.437 209 HA SER 23 HA SER 23 -8.965 12.551 -0.971 210 HB2 SER 23 2HB SER 23 -7.204 10.815 0.688 211 HB3 SER 23 1HB SER 23 -7.653 12.385 1.356 212 HG SER 23 HG SER 23 -9.305 11.154 1.969 213 H ASN 24 H ASN 24 -5.525 12.179 -1.441 214 HA ASN 24 HA ASN 24 -5.113 14.877 -2.075 215 HB2 ASN 24 2HB ASN 24 -3.773 15.605 -0.137 216 HB3 ASN 24 1HB ASN 24 -5.445 15.285 0.312 217 HD21 ASN 24 1HD2 ASN 24 -5.928 13.386 1.480 218 HD22 ASN 24 2HD2 ASN 24 -4.715 12.580 2.409 219 H ARG 25 H ARG 25 -2.869 15.368 -2.543 220 HA ARG 25 HA ARG 25 -1.513 13.249 -3.763 221 HB2 ARG 25 2HB ARG 25 -0.724 16.051 -3.024 222 HB3 ARG 25 1HB ARG 25 0.453 14.949 -3.722 223 HG2 ARG 25 2HG ARG 25 -0.262 15.575 -5.721 224 HG3 ARG 25 1HG ARG 25 -1.776 14.738 -5.373 225 HD2 ARG 25 2HD ARG 25 -2.893 16.660 -5.249 226 HD3 ARG 25 1HD ARG 25 -1.725 17.334 -4.116 227 HE ARG 25 HE ARG 25 -0.823 17.327 -6.846 228 HH11 ARG 25 1HH1 ARG 25 -2.620 19.090 -4.429 229 HH12 ARG 25 2HH1 ARG 25 -2.393 20.624 -5.198 230 HH21 ARG 25 1HH2 ARG 25 -0.523 19.344 -7.860 231 HH22 ARG 25 2HH2 ARG 25 -1.202 20.768 -7.146 232 H CYS 26 H CYS 26 -1.082 14.760 -0.605 233 HA CYS 26 HA CYS 26 0.086 14.139 1.244 234 HB2 CYS 26 2HB CYS 26 -1.140 11.888 0.393 235 HB3 CYS 26 1HB CYS 26 0.540 11.368 0.305 236 HG CYS 26 HG CYS 26 -0.036 12.565 3.003 237 H GLY 27 H GLY 27 1.637 15.445 -0.475 238 HA2 GLY 27 2HA GLY 27 4.051 15.678 -0.156 239 HA3 GLY 27 1HA GLY 27 4.178 13.940 -0.390 240 H LYS 28 H LYS 28 2.043 15.813 -2.389 241 HA LYS 28 HA LYS 28 2.036 16.305 -4.606 242 HB2 LYS 28 2HB LYS 28 5.016 16.431 -4.133 243 HB3 LYS 28 1HB LYS 28 4.259 16.866 -5.658 244 HG2 LYS 28 2HG LYS 28 3.369 18.794 -4.829 245 HG3 LYS 28 1HG LYS 28 3.260 18.167 -3.183 246 HD2 LYS 28 2HD LYS 28 5.507 18.580 -2.744 247 HD3 LYS 28 1HD LYS 28 5.928 18.647 -4.457 248 HE2 LYS 28 2HE LYS 28 3.983 20.662 -3.549 249 HE3 LYS 28 1HE LYS 28 5.607 20.822 -2.879 250 HZ1 LYS 28 3HZ LYS 28 5.329 22.077 -4.940 251 HZ2 LYS 28 1HZ LYS 28 4.964 20.649 -5.774 252 HZ3 LYS 28 2HZ LYS 28 6.502 20.870 -5.107 253 H TYR 29 H TYR 29 5.102 14.524 -4.633 254 HA TYR 29 HA TYR 29 3.771 12.415 -6.204 255 HB2 TYR 29 2HB TYR 29 6.062 12.169 -7.331 256 HB3 TYR 29 1HB TYR 29 5.088 13.564 -7.782 257 HD1 TYR 29 2HD TYR 29 5.647 15.809 -6.810 258 HD2 TYR 29 1HD TYR 29 8.197 12.436 -6.342 259 HE1 TYR 29 2HE TYR 29 7.508 17.305 -6.222 260 HE2 TYR 29 1HE TYR 29 10.065 13.922 -5.752 261 HH TYR 29 HH TYR 29 10.206 17.044 -6.393 262 H VAL 30 H VAL 30 3.780 10.548 -5.154 263 HA VAL 30 HA VAL 30 5.922 10.017 -3.212 264 HB VAL 30 HB VAL 30 3.351 8.467 -3.432 265 HG11 VAL 30 1HG1 VAL 30 5.427 8.829 -1.284 266 HG12 VAL 30 2HG1 VAL 30 4.988 7.347 -2.133 267 HG13 VAL 30 3HG1 VAL 30 3.857 8.080 -0.996 268 HG21 VAL 30 3HG2 VAL 30 2.703 9.953 -1.407 269 HG22 VAL 30 1HG2 VAL 30 2.470 10.572 -3.043 270 HG23 VAL 30 2HG2 VAL 30 3.862 11.092 -2.093 271 H ASP 31 H ASP 31 7.266 8.316 -3.434 272 HA ASP 31 HA ASP 31 6.942 6.667 -5.842 273 HB2 ASP 31 2HB ASP 31 9.177 8.017 -4.728 274 HB3 ASP 31 1HB ASP 31 9.497 6.290 -4.601 275 H THR 32 H THR 32 7.866 4.391 -5.607 276 HA THR 32 HA THR 32 6.339 2.936 -3.806 277 HB THR 32 HB THR 32 7.662 1.004 -4.445 278 HG1 THR 32 1HG THR 32 9.631 1.162 -5.293 279 HG21 THR 32 3HG2 THR 32 7.546 2.803 -6.846 280 HG22 THR 32 1HG2 THR 32 6.141 1.989 -6.158 281 HG23 THR 32 2HG2 THR 32 7.479 1.041 -6.808 282 H GLY 33 H GLY 33 9.825 3.666 -3.607 283 HA2 GLY 33 2HA GLY 33 10.213 2.428 -1.097 284 HA3 GLY 33 1HA GLY 33 11.280 3.612 -1.832 285 H ILE 34 H ILE 34 9.269 5.704 -1.975 286 HA ILE 34 HA ILE 34 9.590 6.727 0.688 287 HB ILE 34 HB ILE 34 8.235 7.876 -1.753 288 HG12 ILE 34 2HG1 ILE 34 10.185 9.446 -1.661 289 HG13 ILE 34 1HG1 ILE 34 10.853 8.469 -0.358 290 HG21 ILE 34 1HG2 ILE 34 8.264 8.805 1.049 291 HG22 ILE 34 2HG2 ILE 34 7.097 9.108 -0.238 292 HG23 ILE 34 3HG2 ILE 34 8.604 10.022 -0.181 293 HD11 ILE 34 3HD1 ILE 34 10.166 7.211 -2.974 294 HD12 ILE 34 1HD1 ILE 34 11.339 6.704 -1.759 295 HD13 ILE 34 2HD1 ILE 34 11.674 8.105 -2.776 296 H LEU 35 H LEU 35 6.836 5.706 -1.306 297 HA LEU 35 HA LEU 35 4.783 6.399 0.449 298 HB2 LEU 35 2HB LEU 35 4.845 5.325 -2.007 299 HB3 LEU 35 1HB LEU 35 4.499 3.875 -1.085 300 HG LEU 35 HG LEU 35 2.833 6.385 -1.226 301 HD11 LEU 35 1HD1 LEU 35 1.203 4.327 -1.826 302 HD12 LEU 35 2HD1 LEU 35 2.733 3.712 -2.454 303 HD13 LEU 35 3HD1 LEU 35 2.099 5.255 -3.028 304 HD21 LEU 35 3HD2 LEU 35 2.751 4.074 0.668 305 HD22 LEU 35 1HD2 LEU 35 1.257 4.881 0.191 306 HD23 LEU 35 2HD2 LEU 35 2.538 5.796 0.987 307 H ALA 36 H ALA 36 6.687 3.416 0.234 308 HA ALA 36 HA ALA 36 5.326 1.922 2.160 309 HB1 ALA 36 1HB ALA 36 7.279 0.533 2.272 310 HB2 ALA 36 2HB ALA 36 8.287 1.817 1.603 311 HB3 ALA 36 3HB ALA 36 7.057 1.048 0.600 312 H SER 37 H SER 37 7.866 4.339 2.493 313 HA SER 37 HA SER 37 8.310 3.904 5.272 314 HB2 SER 37 2HB SER 37 8.875 6.575 4.090 315 HB3 SER 37 1HB SER 37 9.887 5.559 5.116 316 HG SER 37 HG SER 37 10.059 4.162 3.199 317 H ASP 38 H ASP 38 6.422 6.277 3.428 318 HA ASP 38 HA ASP 38 5.482 7.713 5.676 319 HB2 ASP 38 2HB ASP 38 5.458 8.320 3.127 320 HB3 ASP 38 1HB ASP 38 3.894 7.511 3.140 321 H LEU 39 H LEU 39 4.012 5.132 3.720 322 HA LEU 39 HA LEU 39 1.571 4.980 5.067 323 HB2 LEU 39 2HB LEU 39 2.637 3.728 2.926 324 HB3 LEU 39 1HB LEU 39 2.741 2.439 4.110 325 HG LEU 39 HG LEU 39 0.333 2.563 4.494 326 HD11 LEU 39 1HD1 LEU 39 0.514 4.857 2.572 327 HD12 LEU 39 2HD1 LEU 39 -0.236 4.805 4.167 328 HD13 LEU 39 3HD1 LEU 39 -0.987 3.963 2.812 329 HD21 LEU 39 3HD2 LEU 39 0.527 2.481 1.532 330 HD22 LEU 39 1HD2 LEU 39 -0.236 1.350 2.651 331 HD23 LEU 39 2HD2 LEU 39 1.517 1.353 2.460 332 H GLN 40 H GLN 40 4.664 3.405 5.729 333 HA GLN 40 HA GLN 40 3.666 1.832 7.896 334 HB2 GLN 40 2HB GLN 40 5.664 1.205 6.569 335 HB3 GLN 40 1HB GLN 40 6.520 2.586 7.243 336 HG2 GLN 40 2HG GLN 40 6.172 1.609 9.506 337 HG3 GLN 40 1HG GLN 40 5.504 0.176 8.726 338 HE21 GLN 40 1HE2 GLN 40 8.328 2.278 8.239 339 HE22 GLN 40 2HE2 GLN 40 9.480 0.993 8.144 340 H ARG 41 H ARG 41 5.281 4.950 7.606 341 HA ARG 41 HA ARG 41 5.893 5.387 10.294 342 HB2 ARG 41 2HB ARG 41 6.728 6.805 8.477 343 HB3 ARG 41 1HB ARG 41 5.103 7.410 8.190 344 HG2 ARG 41 2HG ARG 41 5.773 9.101 9.498 345 HG3 ARG 41 1HG ARG 41 5.381 7.990 10.811 346 HD2 ARG 41 2HD ARG 41 7.562 7.590 11.308 347 HD3 ARG 41 1HD ARG 41 8.090 7.779 9.637 348 HE ARG 41 HE ARG 41 7.385 10.291 10.345 349 HH11 ARG 41 1HH1 ARG 41 9.478 7.906 11.799 350 HH12 ARG 41 2HH1 ARG 41 10.531 9.081 12.510 351 HH21 ARG 41 1HH2 ARG 41 8.769 11.838 11.279 352 HH22 ARG 41 2HH2 ARG 41 10.129 11.314 12.216 353 H LEU 42 H LEU 42 2.963 6.254 8.476 354 HA LEU 42 HA LEU 42 1.641 7.348 10.761 355 HB2 LEU 42 2HB LEU 42 -0.391 7.252 9.275 356 HB3 LEU 42 1HB LEU 42 0.957 8.197 8.673 357 HG LEU 42 HG LEU 42 1.399 5.696 7.569 358 HD11 LEU 42 1HD1 LEU 42 -1.142 5.478 8.431 359 HD12 LEU 42 2HD1 LEU 42 -0.516 4.666 6.996 360 HD13 LEU 42 3HD1 LEU 42 -1.408 6.178 6.835 361 HD21 LEU 42 3HD2 LEU 42 -0.204 7.575 5.967 362 HD22 LEU 42 1HD2 LEU 42 1.372 6.856 5.637 363 HD23 LEU 42 2HD2 LEU 42 1.246 8.249 6.712 364 H TYR 43 H TYR 43 1.838 4.193 9.291 365 HA TYR 43 HA TYR 43 -0.088 3.174 11.275 366 HB2 TYR 43 2HB TYR 43 0.539 2.351 8.472 367 HB3 TYR 43 1HB TYR 43 0.009 1.119 9.612 368 HD1 TYR 43 2HD TYR 43 -1.982 2.555 11.210 369 HD2 TYR 43 1HD TYR 43 -1.245 2.681 7.022 370 HE1 TYR 43 2HE TYR 43 -4.323 3.202 10.824 371 HE2 TYR 43 1HE TYR 43 -3.584 3.330 6.623 372 HH TYR 43 HH TYR 43 -5.984 3.106 9.001 373 H SER 44 H SER 44 2.501 3.694 12.090 374 HA SER 44 HA SER 44 4.310 1.571 11.866 375 HB2 SER 44 2HB SER 44 5.083 2.487 14.195 376 HB3 SER 44 1HB SER 44 5.250 3.501 12.761 377 HG SER 44 HG SER 44 3.103 3.594 14.619 378 H VAL 45 H VAL 45 1.517 2.024 13.920 379 HA VAL 45 HA VAL 45 2.114 -0.130 15.704 380 HB VAL 45 HB VAL 45 0.638 1.727 16.361 381 HG11 VAL 45 1HG1 VAL 45 -1.671 0.637 14.880 382 HG12 VAL 45 2HG1 VAL 45 -0.487 1.538 13.933 383 HG13 VAL 45 3HG1 VAL 45 -1.279 2.301 15.312 384 HG21 VAL 45 3HG2 VAL 45 -0.100 -1.111 16.565 385 HG22 VAL 45 1HG2 VAL 45 -1.388 0.028 16.959 386 HG23 VAL 45 2HG2 VAL 45 0.145 0.094 17.829 387 H ASP 46 H ASP 46 0.349 0.203 12.694 388 HA ASP 46 HA ASP 46 -0.641 -2.531 12.850 389 HB2 ASP 46 2HB ASP 46 -1.395 -0.132 11.426 390 HB3 ASP 46 1HB ASP 46 -1.213 -1.480 10.306 391 H TYR 47 H TYR 47 1.018 -0.677 10.294 392 HA TYR 47 HA TYR 47 2.064 -3.034 9.076 393 HB2 TYR 47 2HB TYR 47 2.591 -0.093 8.669 394 HB3 TYR 47 1HB TYR 47 3.442 -1.333 7.754 395 HD1 TYR 47 2HD TYR 47 1.298 -3.286 7.252 396 HD2 TYR 47 1HD TYR 47 1.214 0.966 7.117 397 HE1 TYR 47 2HE TYR 47 -0.560 -3.379 5.644 398 HE2 TYR 47 1HE TYR 47 -0.644 0.883 5.509 399 HH TYR 47 HH TYR 47 -1.524 -1.887 3.856 400 H GLY 48 H GLY 48 3.416 -0.525 11.174 401 HA2 GLY 48 2HA GLY 48 6.081 -1.543 11.097 402 HA3 GLY 48 1HA GLY 48 5.448 -0.377 12.249 403 H ARG 49 H ARG 49 5.113 -3.842 11.474 404 HA ARG 49 HA ARG 49 6.028 -4.726 13.981 405 HB2 ARG 49 2HB ARG 49 3.579 -3.666 14.311 406 HB3 ARG 49 1HB ARG 49 3.119 -5.298 13.846 407 HG2 ARG 49 2HG ARG 49 4.173 -6.248 15.704 408 HG3 ARG 49 1HG ARG 49 5.114 -4.791 16.026 409 HD2 ARG 49 2HD ARG 49 2.976 -3.611 16.537 410 HD3 ARG 49 1HD ARG 49 2.142 -5.157 16.378 411 HE ARG 49 HE ARG 49 3.753 -4.270 18.589 412 HH11 ARG 49 1HH1 ARG 49 2.478 -7.049 16.909 413 HH12 ARG 49 2HH1 ARG 49 2.579 -8.088 18.290 414 HH21 ARG 49 1HH2 ARG 49 3.889 -5.635 20.408 415 HH22 ARG 49 2HH2 ARG 49 3.381 -7.286 20.277 416 H ARG 50 H ARG 50 6.377 -5.365 11.237 417 HA ARG 50 HA ARG 50 6.138 -8.205 11.378 418 HB2 ARG 50 2HB ARG 50 4.703 -8.561 9.458 419 HB3 ARG 50 1HB ARG 50 3.844 -7.613 10.663 420 HG2 ARG 50 2HG ARG 50 3.649 -5.838 9.312 421 HG3 ARG 50 1HG ARG 50 5.278 -6.023 8.663 422 HD2 ARG 50 2HD ARG 50 4.598 -7.519 7.031 423 HD3 ARG 50 1HD ARG 50 3.138 -7.970 7.911 424 HE ARG 50 HE ARG 50 3.155 -5.227 7.066 425 HH11 ARG 50 1HH1 ARG 50 2.436 -8.501 6.095 426 HH12 ARG 50 2HH1 ARG 50 1.293 -8.025 4.886 427 HH21 ARG 50 1HH2 ARG 50 1.651 -4.598 5.476 428 HH22 ARG 50 2HH2 ARG 50 0.847 -5.809 4.533 429 H LYS 51 H LYS 51 6.474 -8.897 8.743 430 HA LYS 51 HA LYS 51 9.169 -8.452 8.287 431 HB2 LYS 51 2HB LYS 51 7.423 -10.144 7.236 432 HB3 LYS 51 1HB LYS 51 7.387 -8.949 5.947 433 HG2 LYS 51 2HG LYS 51 9.668 -9.251 5.461 434 HG3 LYS 51 1HG LYS 51 9.951 -10.134 6.963 435 HD2 LYS 51 2HD LYS 51 8.834 -12.041 6.182 436 HD3 LYS 51 1HD LYS 51 8.049 -11.153 4.876 437 HE2 LYS 51 2HE LYS 51 9.843 -11.309 3.512 438 HE3 LYS 51 1HE LYS 51 10.995 -11.149 4.838 439 HZ1 LYS 51 3HZ LYS 51 11.046 -13.371 5.188 440 HZ2 LYS 51 1HZ LYS 51 10.645 -13.409 3.544 441 HZ3 LYS 51 2HZ LYS 51 9.442 -13.615 4.715 442 H ARG 52 H ARG 52 10.097 -6.531 7.989 443 HA ARG 52 HA ARG 52 8.790 -4.281 6.875 444 HB2 ARG 52 2HB ARG 52 11.012 -4.610 8.386 445 HB3 ARG 52 1HB ARG 52 11.746 -4.330 6.813 446 HG2 ARG 52 2HG ARG 52 10.447 -2.239 6.618 447 HG3 ARG 52 1HG ARG 52 9.817 -2.513 8.243 448 HD2 ARG 52 2HD ARG 52 11.671 -0.965 8.332 449 HD3 ARG 52 1HD ARG 52 12.118 -2.478 9.116 450 HE ARG 52 HE ARG 52 13.204 -1.392 6.653 451 HH11 ARG 52 1HH1 ARG 52 12.944 -4.157 8.773 452 HH12 ARG 52 2HH1 ARG 52 14.362 -4.926 8.144 453 HH21 ARG 52 1HH2 ARG 52 15.065 -2.407 5.827 454 HH22 ARG 52 2HH2 ARG 52 15.565 -3.933 6.474 455 H ASN 53 H ASN 53 11.299 -6.448 5.577 456 HA ASN 53 HA ASN 53 11.602 -5.232 3.089 457 HB2 ASN 53 2HB ASN 53 12.452 -7.441 2.323 458 HB3 ASN 53 1HB ASN 53 13.157 -6.925 3.854 459 HD21 ASN 53 1HD2 ASN 53 12.676 -8.037 5.719 460 HD22 ASN 53 2HD2 ASN 53 11.881 -9.571 5.714 461 H ALA 54 H ALA 54 9.418 -7.865 4.054 462 HA ALA 54 HA ALA 54 8.245 -8.317 1.558 463 HB1 ALA 54 1HB ALA 54 6.395 -8.629 3.786 464 HB2 ALA 54 2HB ALA 54 7.968 -9.369 4.082 465 HB3 ALA 54 3HB ALA 54 7.029 -9.830 2.662 466 H PHE 55 H PHE 55 7.334 -6.097 4.163 467 HA PHE 55 HA PHE 55 4.953 -5.132 3.082 468 HB2 PHE 55 2HB PHE 55 5.671 -4.652 5.378 469 HB3 PHE 55 1HB PHE 55 6.986 -3.654 4.768 470 HD1 PHE 55 2HD PHE 55 3.278 -3.946 4.465 471 HD2 PHE 55 1HD PHE 55 6.668 -1.385 4.715 472 HE1 PHE 55 2HE PHE 55 1.791 -1.985 4.484 473 HE2 PHE 55 1HE PHE 55 5.187 0.580 4.735 474 HZ PHE 55 HZ PHE 55 2.746 0.281 4.618 475 H ARG 56 H ARG 56 8.289 -4.054 2.583 476 HA ARG 56 HA ARG 56 7.731 -1.798 1.017 477 HB2 ARG 56 2HB ARG 56 10.112 -3.625 1.205 478 HB3 ARG 56 1HB ARG 56 10.081 -2.286 0.065 479 HG2 ARG 56 2HG ARG 56 9.298 -1.143 2.462 480 HG3 ARG 56 1HG ARG 56 10.565 -2.283 2.918 481 HD2 ARG 56 2HD ARG 56 12.162 -1.228 1.594 482 HD3 ARG 56 1HD ARG 56 10.946 -0.424 0.602 483 HE ARG 56 HE ARG 56 10.926 0.400 3.356 484 HH11 ARG 56 1HH1 ARG 56 12.351 0.941 0.217 485 HH12 ARG 56 2HH1 ARG 56 12.801 2.577 0.565 486 HH21 ARG 56 1HH2 ARG 56 11.517 2.553 3.816 487 HH22 ARG 56 2HH2 ARG 56 12.329 3.492 2.607 488 H ILE 57 H ILE 57 8.296 -5.176 0.105 489 HA ILE 57 HA ILE 57 8.211 -4.832 -2.676 490 HB ILE 57 HB ILE 57 7.286 -7.264 -1.142 491 HG12 ILE 57 2HG1 ILE 57 10.013 -7.136 -2.297 492 HG13 ILE 57 1HG1 ILE 57 9.731 -6.149 -0.866 493 HG21 ILE 57 1HG2 ILE 57 7.705 -8.505 -3.121 494 HG22 ILE 57 2HG2 ILE 57 8.471 -7.123 -3.906 495 HG23 ILE 57 3HG2 ILE 57 6.734 -7.111 -3.594 496 HD11 ILE 57 3HD1 ILE 57 9.866 -7.920 0.450 497 HD12 ILE 57 1HD1 ILE 57 10.364 -8.855 -0.960 498 HD13 ILE 57 2HD1 ILE 57 8.662 -8.791 -0.500 499 H GLN 58 H GLN 58 5.645 -5.354 -0.309 500 HA GLN 58 HA GLN 58 3.532 -5.754 -2.121 501 HB2 GLN 58 2HB GLN 58 3.686 -4.826 0.729 502 HB3 GLN 58 1HB GLN 58 2.150 -4.795 -0.127 503 HG2 GLN 58 2HG GLN 58 2.077 -7.108 -0.335 504 HG3 GLN 58 1HG GLN 58 3.805 -7.284 -0.035 505 HE21 GLN 58 1HE2 GLN 58 2.958 -8.933 1.476 506 HE22 GLN 58 2HE2 GLN 58 2.543 -8.430 3.075 507 H VAL 59 H VAL 59 4.760 -2.809 -0.566 508 HA VAL 59 HA VAL 59 2.867 -1.044 -1.689 509 HB VAL 59 HB VAL 59 5.694 -0.348 -0.886 510 HG11 VAL 59 1HG1 VAL 59 4.623 1.843 -0.323 511 HG12 VAL 59 2HG1 VAL 59 3.156 1.261 -1.111 512 HG13 VAL 59 3HG1 VAL 59 4.641 1.454 -2.044 513 HG21 VAL 59 3HG2 VAL 59 3.380 -1.170 0.723 514 HG22 VAL 59 1HG2 VAL 59 4.155 0.324 1.252 515 HG23 VAL 59 2HG2 VAL 59 5.099 -1.162 1.124 516 H GLU 60 H GLU 60 5.980 -2.241 -2.809 517 HA GLU 60 HA GLU 60 6.354 -0.471 -4.957 518 HB2 GLU 60 2HB GLU 60 7.363 -3.195 -4.262 519 HB3 GLU 60 1HB GLU 60 7.617 -2.604 -5.898 520 HG2 GLU 60 2HG GLU 60 8.721 -0.601 -4.954 521 HG3 GLU 60 1HG GLU 60 8.557 -1.312 -3.349 522 H LYS 61 H LYS 61 4.814 -3.669 -4.821 523 HA LYS 61 HA LYS 61 4.050 -3.625 -7.580 524 HB2 LYS 61 2HB LYS 61 3.582 -5.427 -5.253 525 HB3 LYS 61 1HB LYS 61 2.475 -5.542 -6.614 526 HG2 LYS 61 2HG LYS 61 4.176 -7.161 -6.939 527 HG3 LYS 61 1HG LYS 61 4.461 -5.861 -8.098 528 HD2 LYS 61 2HD LYS 61 6.203 -4.942 -6.702 529 HD3 LYS 61 1HD LYS 61 5.861 -6.125 -5.438 530 HE2 LYS 61 2HE LYS 61 6.722 -6.880 -8.223 531 HE3 LYS 61 1HE LYS 61 7.855 -6.625 -6.897 532 HZ1 LYS 61 3HZ LYS 61 5.624 -8.463 -6.452 533 HZ2 LYS 61 1HZ LYS 61 7.206 -8.518 -5.852 534 HZ3 LYS 61 2HZ LYS 61 6.889 -8.990 -7.445 535 H VAL 62 H VAL 62 2.546 -2.758 -4.537 536 HA VAL 62 HA VAL 62 -0.092 -2.470 -5.579 537 HB VAL 62 HB VAL 62 1.237 -1.607 -3.028 538 HG11 VAL 62 1HG1 VAL 62 -1.335 -0.627 -4.153 539 HG12 VAL 62 2HG1 VAL 62 -0.161 0.199 -3.130 540 HG13 VAL 62 3HG1 VAL 62 -1.261 -0.987 -2.428 541 HG21 VAL 62 3HG2 VAL 62 0.571 -3.674 -2.508 542 HG22 VAL 62 1HG2 VAL 62 -0.453 -3.790 -3.939 543 HG23 VAL 62 2HG2 VAL 62 -1.067 -3.021 -2.475 544 H PHE 63 H PHE 63 2.691 -0.369 -5.291 545 HA PHE 63 HA PHE 63 1.297 2.062 -5.795 546 HB2 PHE 63 2HB PHE 63 3.491 2.040 -4.701 547 HB3 PHE 63 1HB PHE 63 4.224 1.388 -6.164 548 HD1 PHE 63 2HD PHE 63 2.503 4.340 -4.755 549 HD2 PHE 63 1HD PHE 63 4.900 2.800 -7.916 550 HE1 PHE 63 2HE PHE 63 2.890 6.629 -5.571 551 HE2 PHE 63 1HE PHE 63 5.291 5.086 -8.738 552 HZ PHE 63 HZ PHE 63 4.285 7.004 -7.566 553 H SER 64 H SER 64 2.997 -0.275 -7.817 554 HA SER 64 HA SER 64 2.729 1.248 -10.221 555 HB2 SER 64 2HB SER 64 3.303 -1.093 -11.240 556 HB3 SER 64 1HB SER 64 4.527 -0.223 -10.315 557 HG SER 64 HG SER 64 2.897 -2.378 -9.467 558 H ILE 65 H ILE 65 0.848 -1.242 -8.624 559 HA ILE 65 HA ILE 65 -0.831 -1.768 -10.880 560 HB ILE 65 HB ILE 65 -0.367 -3.371 -8.979 561 HG12 ILE 65 2HG1 ILE 65 -3.306 -2.932 -9.518 562 HG13 ILE 65 1HG1 ILE 65 -2.197 -3.571 -10.729 563 HG21 ILE 65 1HG2 ILE 65 -1.620 -3.242 -6.968 564 HG22 ILE 65 2HG2 ILE 65 -2.552 -1.867 -7.561 565 HG23 ILE 65 3HG2 ILE 65 -0.839 -1.679 -7.194 566 HD11 ILE 65 3HD1 ILE 65 -3.562 -4.940 -8.643 567 HD12 ILE 65 1HD1 ILE 65 -1.823 -5.092 -8.389 568 HD13 ILE 65 2HD1 ILE 65 -2.538 -5.597 -9.920 569 H ILE 66 H ILE 66 -1.187 0.167 -7.919 570 HA ILE 66 HA ILE 66 -3.854 0.893 -8.206 571 HB ILE 66 HB ILE 66 -3.316 2.921 -6.902 572 HG12 ILE 66 2HG1 ILE 66 -0.457 1.963 -7.134 573 HG13 ILE 66 1HG1 ILE 66 -1.118 3.388 -7.930 574 HG21 ILE 66 1HG2 ILE 66 -2.010 1.510 -5.044 575 HG22 ILE 66 2HG2 ILE 66 -2.515 0.195 -6.105 576 HG23 ILE 66 3HG2 ILE 66 -3.720 1.277 -5.408 577 HD11 ILE 66 3HD1 ILE 66 -0.309 2.982 -5.132 578 HD12 ILE 66 1HD1 ILE 66 -1.770 3.935 -5.389 579 HD13 ILE 66 2HD1 ILE 66 -0.252 4.430 -6.138 580 H SER 67 H SER 67 -0.993 2.188 -9.780 581 HA SER 67 HA SER 67 -2.295 4.464 -10.901 582 HB2 SER 67 2HB SER 67 0.096 3.372 -12.271 583 HB3 SER 67 1HB SER 67 -0.245 5.015 -11.729 584 HG SER 67 HG SER 67 0.081 4.126 -9.542 585 H SER 68 H SER 68 -1.319 1.313 -12.240 586 HA SER 68 HA SER 68 -2.475 1.838 -14.798 587 HB2 SER 68 2HB SER 68 -0.585 0.143 -14.060 588 HB3 SER 68 1HB SER 68 -1.955 -0.951 -13.861 589 HG SER 68 HG SER 68 -1.559 -1.239 -15.932 590 H GLU 69 H GLU 69 -3.433 -0.247 -12.076 591 HA GLU 69 HA GLU 69 -5.789 -1.231 -13.216 592 HB2 GLU 69 2HB GLU 69 -4.443 -1.745 -10.936 593 HB3 GLU 69 1HB GLU 69 -5.783 -0.809 -10.288 594 HG2 GLU 69 2HG GLU 69 -5.973 -3.323 -11.929 595 HG3 GLU 69 1HG GLU 69 -6.300 -3.157 -10.206 596 H LYS 70 H LYS 70 -5.329 1.537 -11.017 597 HA LYS 70 HA LYS 70 -8.113 2.267 -11.208 598 HB2 LYS 70 2HB LYS 70 -5.923 3.981 -10.056 599 HB3 LYS 70 1HB LYS 70 -7.633 3.983 -9.653 600 HG2 LYS 70 2HG LYS 70 -5.773 1.686 -9.087 601 HG3 LYS 70 1HG LYS 70 -6.175 2.953 -7.927 602 HD2 LYS 70 2HD LYS 70 -8.515 1.729 -9.177 603 HD3 LYS 70 1HD LYS 70 -7.535 0.591 -8.252 604 HE2 LYS 70 2HE LYS 70 -8.214 1.448 -6.309 605 HE3 LYS 70 1HE LYS 70 -7.894 3.098 -6.843 606 HZ1 LYS 70 3HZ LYS 70 -10.378 1.569 -6.922 607 HZ2 LYS 70 1HZ LYS 70 -10.090 2.629 -8.210 608 HZ3 LYS 70 2HZ LYS 70 -10.130 3.216 -6.624 609 H GLU 71 H GLU 71 -5.035 3.688 -12.298 610 HA GLU 71 HA GLU 71 -4.550 5.094 -14.022 611 HB2 GLU 71 2HB GLU 71 -6.816 3.611 -14.916 612 HB3 GLU 71 1HB GLU 71 -7.018 5.278 -15.437 613 HG2 GLU 71 2HG GLU 71 -4.908 5.236 -16.577 614 HG3 GLU 71 1HG GLU 71 -4.550 3.634 -15.936 615 H LEU 72 H LEU 72 -4.746 7.285 -14.570 616 HA LEU 72 HA LEU 72 -5.804 8.960 -12.610 617 HB2 LEU 72 2HB LEU 72 -4.746 9.371 -15.366 618 HB3 LEU 72 1HB LEU 72 -5.574 10.705 -14.584 619 HG LEU 72 HG LEU 72 -3.432 9.355 -13.033 620 HD11 LEU 72 1HD1 LEU 72 -1.664 10.060 -14.248 621 HD12 LEU 72 2HD1 LEU 72 -2.516 11.473 -14.872 622 HD13 LEU 72 3HD1 LEU 72 -2.800 9.885 -15.584 623 HD21 LEU 72 3HD2 LEU 72 -2.994 11.884 -12.616 624 HD22 LEU 72 1HD2 LEU 72 -4.389 11.103 -11.869 625 HD23 LEU 72 2HD2 LEU 72 -4.600 12.090 -13.314 626 H LYS 73 H LYS 73 -7.535 10.473 -12.671 627 HA LYS 73 HA LYS 73 -9.764 9.629 -14.404 628 HB2 LYS 73 2HB LYS 73 -11.281 10.335 -12.612 629 HB3 LYS 73 1HB LYS 73 -10.167 9.094 -12.054 630 HG2 LYS 73 2HG LYS 73 -9.626 10.408 -10.360 631 HG3 LYS 73 1HG LYS 73 -8.921 11.545 -11.510 632 HD2 LYS 73 2HD LYS 73 -11.571 12.135 -11.720 633 HD3 LYS 73 1HD LYS 73 -11.447 11.683 -10.019 634 HE2 LYS 73 2HE LYS 73 -9.513 13.269 -9.836 635 HE3 LYS 73 1HE LYS 73 -9.889 13.814 -11.471 636 HZ1 LYS 73 3HZ LYS 73 -12.046 13.808 -9.492 637 HZ2 LYS 73 1HZ LYS 73 -11.775 14.860 -10.788 638 HZ3 LYS 73 2HZ LYS 73 -10.867 15.014 -9.369 639 H ASN 74 H ASN 74 -10.132 11.072 -15.945 640 HA ASN 74 HA ASN 74 -9.985 13.931 -15.251 641 HB2 ASN 74 2HB ASN 74 -9.218 14.384 -17.552 642 HB3 ASN 74 1HB ASN 74 -8.088 13.357 -16.676 643 HD21 ASN 74 1HD2 ASN 74 -10.427 13.521 -19.231 644 HD22 ASN 74 2HD2 ASN 74 -10.027 12.012 -19.970 Start of MODEL 11 1 H MET 1 H MET 1 -0.209 -20.324 -12.310 2 HA MET 1 HA MET 1 -1.915 -21.452 -11.058 3 HB2 MET 1 2HB MET 1 0.516 -22.326 -9.518 4 HB3 MET 1 1HB MET 1 -1.061 -22.250 -8.743 5 HG2 MET 1 2HG MET 1 -1.172 -24.391 -9.412 6 HG3 MET 1 1HG MET 1 -1.711 -23.659 -10.922 7 HE1 MET 1 2HE MET 1 0.163 -25.744 -13.104 8 HE2 MET 1 3HE MET 1 -1.363 -25.332 -12.323 9 HE3 MET 1 1HE MET 1 -0.374 -26.645 -11.686 10 H LYS 2 H LYS 2 -3.007 -19.798 -10.235 11 HA LYS 2 HA LYS 2 -1.592 -17.509 -9.166 12 HB2 LYS 2 2HB LYS 2 -4.455 -18.057 -9.894 13 HB3 LYS 2 1HB LYS 2 -4.017 -16.624 -8.974 14 HG2 LYS 2 2HG LYS 2 -2.757 -17.304 -11.615 15 HG3 LYS 2 1HG LYS 2 -4.228 -16.340 -11.472 16 HD2 LYS 2 2HD LYS 2 -1.813 -15.588 -9.883 17 HD3 LYS 2 1HD LYS 2 -1.892 -15.170 -11.595 18 HE2 LYS 2 2HE LYS 2 -3.019 -13.350 -10.974 19 HE3 LYS 2 1HE LYS 2 -4.371 -14.426 -10.621 20 HZ1 LYS 2 3HZ LYS 2 -3.774 -14.520 -8.361 21 HZ2 LYS 2 1HZ LYS 2 -3.668 -12.884 -8.783 22 HZ3 LYS 2 2HZ LYS 2 -2.262 -13.811 -8.632 23 HA PRO 3 HA PRO 3 -2.164 -18.518 -4.904 24 HB2 PRO 3 2HB PRO 3 -2.134 -16.047 -3.799 25 HB3 PRO 3 1HB PRO 3 -0.683 -16.812 -4.457 26 HG2 PRO 3 2HG PRO 3 -2.477 -14.765 -5.706 27 HG3 PRO 3 1HG PRO 3 -0.705 -14.841 -5.694 28 HD2 PRO 3 2HD PRO 3 -2.194 -15.634 -7.819 29 HD3 PRO 3 1HD PRO 3 -0.634 -16.377 -7.408 30 H ARG 4 H ARG 4 -3.873 -18.983 -3.657 31 HA ARG 4 HA ARG 4 -6.486 -18.257 -4.382 32 HB2 ARG 4 2HB ARG 4 -5.271 -20.043 -2.565 33 HB3 ARG 4 1HB ARG 4 -6.365 -19.045 -1.616 34 HG2 ARG 4 2HG ARG 4 -8.176 -19.603 -3.219 35 HG3 ARG 4 1HG ARG 4 -7.062 -20.710 -4.024 36 HD2 ARG 4 2HD ARG 4 -8.330 -22.043 -2.551 37 HD3 ARG 4 1HD ARG 4 -6.765 -21.828 -1.771 38 HE ARG 4 HE ARG 4 -8.730 -19.891 -0.970 39 HH11 ARG 4 1HH1 ARG 4 -7.450 -23.080 -0.368 40 HH12 ARG 4 2HH1 ARG 4 -7.999 -23.128 1.273 41 HH21 ARG 4 1HH2 ARG 4 -9.452 -19.950 1.189 42 HH22 ARG 4 2HH2 ARG 4 -9.136 -21.350 2.158 43 HA PRO 5 HA PRO 5 -6.565 -15.321 -0.536 44 HB2 PRO 5 2HB PRO 5 -4.158 -14.726 0.606 45 HB3 PRO 5 1HB PRO 5 -5.204 -16.036 1.162 46 HG2 PRO 5 2HG PRO 5 -2.802 -16.155 -0.620 47 HG3 PRO 5 1HG PRO 5 -3.266 -17.236 0.708 48 HD2 PRO 5 2HD PRO 5 -3.669 -17.887 -1.875 49 HD3 PRO 5 1HD PRO 5 -4.793 -18.384 -0.594 50 H GLY 6 H GLY 6 -6.303 -13.043 -0.498 51 HA2 GLY 6 2HA GLY 6 -4.336 -11.505 -1.625 52 HA3 GLY 6 1HA GLY 6 -5.362 -11.952 -2.978 53 H VAL 7 H VAL 7 -7.781 -11.974 -1.269 54 HA VAL 7 HA VAL 7 -8.653 -9.357 -1.733 55 HB VAL 7 HB VAL 7 -10.555 -9.966 -0.165 56 HG11 VAL 7 1HG1 VAL 7 -10.042 -11.996 -2.327 57 HG12 VAL 7 2HG1 VAL 7 -10.495 -10.324 -2.657 58 HG13 VAL 7 3HG1 VAL 7 -11.594 -11.374 -1.764 59 HG21 VAL 7 3HG2 VAL 7 -10.250 -11.650 1.252 60 HG22 VAL 7 1HG2 VAL 7 -8.711 -12.064 0.496 61 HG23 VAL 7 2HG2 VAL 7 -10.213 -12.753 -0.122 62 H PHE 8 H PHE 8 -6.982 -10.747 0.971 63 HA PHE 8 HA PHE 8 -6.940 -8.117 2.255 64 HB2 PHE 8 2HB PHE 8 -7.255 -9.209 4.489 65 HB3 PHE 8 1HB PHE 8 -8.677 -9.269 3.456 66 HD1 PHE 8 2HD PHE 8 -5.704 -11.294 4.408 67 HD2 PHE 8 1HD PHE 8 -9.764 -11.276 3.140 68 HE1 PHE 8 2HE PHE 8 -5.797 -13.736 4.687 69 HE2 PHE 8 1HE PHE 8 -9.867 -13.719 3.417 70 HZ PHE 8 HZ PHE 8 -7.881 -14.952 4.191 71 H VAL 9 H VAL 9 -5.464 -8.728 4.484 72 HA VAL 9 HA VAL 9 -3.271 -8.791 5.093 73 HB VAL 9 HB VAL 9 -3.944 -11.175 5.275 74 HG11 VAL 9 1HG1 VAL 9 -2.979 -12.736 3.546 75 HG12 VAL 9 2HG1 VAL 9 -2.775 -11.326 2.507 76 HG13 VAL 9 3HG1 VAL 9 -4.387 -11.805 3.037 77 HG21 VAL 9 3HG2 VAL 9 -1.280 -11.792 4.653 78 HG22 VAL 9 1HG2 VAL 9 -1.940 -11.313 6.217 79 HG23 VAL 9 2HG2 VAL 9 -1.291 -10.092 5.123 80 H ASP 10 H ASP 10 -3.804 -7.541 2.493 81 HA ASP 10 HA ASP 10 -1.245 -6.915 1.688 82 HB2 ASP 10 2HB ASP 10 -1.162 -8.111 -0.551 83 HB3 ASP 10 1HB ASP 10 -0.854 -9.112 0.864 84 H ARG 11 H ARG 11 -4.560 -7.441 0.656 85 HA ARG 11 HA ARG 11 -4.585 -5.605 -1.485 86 HB2 ARG 11 2HB ARG 11 -6.312 -7.375 -1.017 87 HB3 ARG 11 1HB ARG 11 -6.925 -6.351 0.274 88 HG2 ARG 11 2HG ARG 11 -7.781 -4.791 -1.181 89 HG3 ARG 11 1HG ARG 11 -6.671 -5.237 -2.479 90 HD2 ARG 11 2HD ARG 11 -7.988 -6.928 -3.208 91 HD3 ARG 11 1HD ARG 11 -8.545 -7.335 -1.585 92 HE ARG 11 HE ARG 11 -9.685 -4.899 -2.194 93 HH11 ARG 11 1HH1 ARG 11 -9.746 -8.130 -3.510 94 HH12 ARG 11 2HH1 ARG 11 -11.353 -7.979 -4.137 95 HH21 ARG 11 1HH2 ARG 11 -11.799 -4.698 -3.017 96 HH22 ARG 11 2HH2 ARG 11 -12.519 -6.031 -3.857 97 H LYS 12 H LYS 12 -4.929 -5.227 1.970 98 HA LYS 12 HA LYS 12 -6.147 -2.740 2.125 99 HB2 LYS 12 2HB LYS 12 -4.269 -4.261 3.862 100 HB3 LYS 12 1HB LYS 12 -4.509 -2.556 4.220 101 HG2 LYS 12 2HG LYS 12 -6.107 -3.522 5.544 102 HG3 LYS 12 1HG LYS 12 -7.038 -3.173 4.085 103 HD2 LYS 12 2HD LYS 12 -6.892 -5.436 3.356 104 HD3 LYS 12 1HD LYS 12 -5.705 -5.825 4.603 105 HE2 LYS 12 2HE LYS 12 -8.271 -4.743 5.567 106 HE3 LYS 12 1HE LYS 12 -8.347 -6.338 4.820 107 HZ1 LYS 12 3HZ LYS 12 -6.466 -5.620 7.000 108 HZ2 LYS 12 1HZ LYS 12 -6.756 -7.163 6.369 109 HZ3 LYS 12 2HZ LYS 12 -7.961 -6.370 7.252 110 H LEU 13 H LEU 13 -2.802 -3.564 1.424 111 HA LEU 13 HA LEU 13 -1.625 -1.056 1.722 112 HB2 LEU 13 2HB LEU 13 -0.688 -3.465 1.048 113 HB3 LEU 13 1HB LEU 13 -0.757 -2.758 -0.555 114 HG LEU 13 HG LEU 13 1.457 -2.460 0.317 115 HD11 LEU 13 1HD1 LEU 13 0.015 0.175 0.542 116 HD12 LEU 13 2HD1 LEU 13 0.434 -0.606 -0.983 117 HD13 LEU 13 3HD1 LEU 13 1.708 -0.086 0.121 118 HD21 LEU 13 3HD2 LEU 13 0.351 -0.886 2.622 119 HD22 LEU 13 1HD2 LEU 13 1.984 -1.511 2.393 120 HD23 LEU 13 2HD2 LEU 13 0.656 -2.619 2.736 121 H LYS 14 H LYS 14 -3.337 -2.459 -1.034 122 HA LYS 14 HA LYS 14 -2.880 -0.215 -2.748 123 HB2 LYS 14 2HB LYS 14 -3.350 -2.566 -3.522 124 HB3 LYS 14 1HB LYS 14 -5.019 -2.331 -3.018 125 HG2 LYS 14 2HG LYS 14 -4.738 -0.180 -4.580 126 HG3 LYS 14 1HG LYS 14 -3.568 -1.253 -5.352 127 HD2 LYS 14 2HD LYS 14 -5.604 -1.648 -6.466 128 HD3 LYS 14 1HD LYS 14 -5.410 -3.006 -5.356 129 HE2 LYS 14 2HE LYS 14 -6.858 -1.770 -3.731 130 HE3 LYS 14 1HE LYS 14 -7.165 -0.583 -4.998 131 HZ1 LYS 14 3HZ LYS 14 -7.767 -2.817 -6.288 132 HZ2 LYS 14 1HZ LYS 14 -8.904 -1.938 -5.396 133 HZ3 LYS 14 2HZ LYS 14 -8.165 -3.300 -4.718 134 H GLN 15 H GLN 15 -5.728 -1.421 -0.983 135 HA GLN 15 HA GLN 15 -7.484 0.638 -1.665 136 HB2 GLN 15 2HB GLN 15 -8.117 -1.510 -0.572 137 HB3 GLN 15 1HB GLN 15 -7.434 -0.908 0.932 138 HG2 GLN 15 2HG GLN 15 -9.535 -0.263 1.344 139 HG3 GLN 15 1HG GLN 15 -9.121 1.107 0.315 140 HE21 GLN 15 1HE2 GLN 15 -11.497 1.118 0.066 141 HE22 GLN 15 2HE2 GLN 15 -12.186 0.147 -1.185 142 H ARG 16 H ARG 16 -5.331 0.340 1.151 143 HA ARG 16 HA ARG 16 -6.081 2.777 2.356 144 HB2 ARG 16 2HB ARG 16 -4.630 0.726 3.217 145 HB3 ARG 16 1HB ARG 16 -3.302 1.743 2.679 146 HG2 ARG 16 2HG ARG 16 -3.549 3.186 4.381 147 HG3 ARG 16 1HG ARG 16 -5.311 3.104 4.331 148 HD2 ARG 16 2HD ARG 16 -4.738 0.624 5.220 149 HD3 ARG 16 1HD ARG 16 -3.376 1.518 5.893 150 HE ARG 16 HE ARG 16 -5.491 3.039 6.589 151 HH11 ARG 16 1HH1 ARG 16 -4.808 -0.366 6.944 152 HH12 ARG 16 2HH1 ARG 16 -5.738 -0.530 8.394 153 HH21 ARG 16 1HH2 ARG 16 -6.715 2.824 8.499 154 HH22 ARG 16 2HH2 ARG 16 -6.821 1.280 9.277 155 H VAL 17 H VAL 17 -3.525 1.949 0.054 156 HA VAL 17 HA VAL 17 -2.288 4.489 0.030 157 HB VAL 17 HB VAL 17 -2.247 2.148 -1.847 158 HG11 VAL 17 1HG1 VAL 17 -1.327 4.917 -2.420 159 HG12 VAL 17 2HG1 VAL 17 -1.974 3.691 -3.510 160 HG13 VAL 17 3HG1 VAL 17 -0.309 3.575 -2.940 161 HG21 VAL 17 3HG2 VAL 17 0.072 3.494 -0.510 162 HG22 VAL 17 1HG2 VAL 17 -0.066 1.833 -1.086 163 HG23 VAL 17 2HG2 VAL 17 -0.943 2.341 0.358 164 H ILE 18 H ILE 18 -4.628 3.016 -2.245 165 HA ILE 18 HA ILE 18 -4.884 5.181 -3.963 166 HB ILE 18 HB ILE 18 -7.068 4.296 -4.604 167 HG12 ILE 18 2HG1 ILE 18 -6.741 2.364 -2.298 168 HG13 ILE 18 1HG1 ILE 18 -7.839 3.740 -2.297 169 HG21 ILE 18 1HG2 ILE 18 -6.080 2.662 -5.752 170 HG22 ILE 18 2HG2 ILE 18 -5.723 1.740 -4.291 171 HG23 ILE 18 3HG2 ILE 18 -4.630 3.022 -4.815 172 HD11 ILE 18 3HD1 ILE 18 -9.310 2.171 -2.951 173 HD12 ILE 18 1HD1 ILE 18 -8.064 1.132 -3.643 174 HD13 ILE 18 2HD1 ILE 18 -8.645 2.533 -4.544 175 H GLN 19 H GLN 19 -6.426 4.584 -0.862 176 HA GLN 19 HA GLN 19 -8.266 6.756 -1.037 177 HB2 GLN 19 2HB GLN 19 -7.324 4.938 1.145 178 HB3 GLN 19 1HB GLN 19 -8.225 6.387 1.567 179 HG2 GLN 19 2HG GLN 19 -9.933 5.534 -0.181 180 HG3 GLN 19 1HG GLN 19 -9.118 3.985 0.036 181 HE21 GLN 19 1HE2 GLN 19 -8.665 3.643 2.546 182 HE22 GLN 19 2HE2 GLN 19 -10.081 3.786 3.524 183 H TYR 20 H TYR 20 -4.983 6.376 0.117 184 HA TYR 20 HA TYR 20 -4.858 8.866 1.499 185 HB2 TYR 20 2HB TYR 20 -3.149 6.617 1.084 186 HB3 TYR 20 1HB TYR 20 -2.254 8.074 0.666 187 HD1 TYR 20 2HD TYR 20 -3.559 9.960 2.635 188 HD2 TYR 20 1HD TYR 20 -2.067 6.001 3.083 189 HE1 TYR 20 2HE TYR 20 -3.149 10.391 5.020 190 HE2 TYR 20 1HE TYR 20 -1.654 6.421 5.471 191 HH TYR 20 HH TYR 20 -2.814 8.222 7.251 192 H LEU 21 H LEU 21 -3.996 7.813 -1.763 193 HA LEU 21 HA LEU 21 -2.796 10.299 -2.499 194 HB2 LEU 21 2HB LEU 21 -3.943 8.430 -4.527 195 HB3 LEU 21 1HB LEU 21 -2.486 9.398 -4.612 196 HG LEU 21 HG LEU 21 -2.365 7.338 -2.538 197 HD11 LEU 21 1HD1 LEU 21 -3.647 6.527 -4.846 198 HD12 LEU 21 2HD1 LEU 21 -2.829 5.488 -3.682 199 HD13 LEU 21 3HD1 LEU 21 -1.967 6.060 -5.109 200 HD21 LEU 21 3HD2 LEU 21 -0.574 7.789 -4.908 201 HD22 LEU 21 1HD2 LEU 21 -0.176 7.032 -3.363 202 HD23 LEU 21 2HD2 LEU 21 -0.493 8.767 -3.442 203 H SER 22 H SER 22 -5.949 8.798 -3.161 204 HA SER 22 HA SER 22 -7.017 10.836 -4.740 205 HB2 SER 22 2HB SER 22 -8.125 8.601 -3.130 206 HB3 SER 22 1HB SER 22 -9.245 9.893 -3.562 207 HG SER 22 HG SER 22 -9.247 8.341 -5.182 208 H SER 23 H SER 23 -7.300 10.330 -1.227 209 HA SER 23 HA SER 23 -8.840 12.622 -0.703 210 HB2 SER 23 2HB SER 23 -7.153 10.785 0.934 211 HB3 SER 23 1HB SER 23 -7.637 12.322 1.649 212 HG SER 23 HG SER 23 -9.828 11.718 1.056 213 H ASN 24 H ASN 24 -5.361 12.114 -0.888 214 HA ASN 24 HA ASN 24 -4.932 14.934 -1.278 215 HB2 ASN 24 2HB ASN 24 -3.160 14.961 0.592 216 HB3 ASN 24 1HB ASN 24 -4.850 15.109 1.062 217 HD21 ASN 24 1HD2 ASN 24 -2.356 12.644 0.539 218 HD22 ASN 24 2HD2 ASN 24 -2.824 11.644 1.867 219 H ARG 25 H ARG 25 -2.850 15.421 -2.092 220 HA ARG 25 HA ARG 25 -1.737 13.486 -3.766 221 HB2 ARG 25 2HB ARG 25 0.137 15.102 -4.057 222 HB3 ARG 25 1HB ARG 25 -1.455 15.822 -4.258 223 HG2 ARG 25 2HG ARG 25 -1.217 16.475 -1.770 224 HG3 ARG 25 1HG ARG 25 0.500 16.162 -2.023 225 HD2 ARG 25 2HD ARG 25 0.747 18.146 -2.989 226 HD3 ARG 25 1HD ARG 25 -0.479 17.740 -4.189 227 HE ARG 25 HE ARG 25 -1.553 18.582 -1.656 228 HH11 ARG 25 1HH1 ARG 25 -0.396 19.635 -4.776 229 HH12 ARG 25 2HH1 ARG 25 -1.283 21.122 -4.742 230 HH21 ARG 25 1HH2 ARG 25 -2.720 20.538 -1.610 231 HH22 ARG 25 2HH2 ARG 25 -2.602 21.634 -2.945 232 H CYS 26 H CYS 26 -0.781 14.555 -0.542 233 HA CYS 26 HA CYS 26 0.649 13.688 0.999 234 HB2 CYS 26 2HB CYS 26 -0.750 11.574 0.058 235 HB3 CYS 26 1HB CYS 26 0.883 11.064 -0.355 236 HG CYS 26 HG CYS 26 0.497 11.894 2.571 237 H GLY 27 H GLY 27 1.865 15.156 -0.973 238 HA2 GLY 27 2HA GLY 27 4.237 15.514 -1.138 239 HA3 GLY 27 1HA GLY 27 4.454 13.771 -1.184 240 H LYS 28 H LYS 28 1.979 15.349 -3.062 241 HA LYS 28 HA LYS 28 1.654 15.589 -5.298 242 HB2 LYS 28 2HB LYS 28 4.570 16.041 -4.988 243 HB3 LYS 28 1HB LYS 28 3.990 15.722 -6.617 244 HG2 LYS 28 2HG LYS 28 3.842 17.996 -6.561 245 HG3 LYS 28 1HG LYS 28 2.223 17.564 -6.004 246 HD2 LYS 28 2HD LYS 28 2.985 19.241 -4.527 247 HD3 LYS 28 1HD LYS 28 3.146 17.719 -3.648 248 HE2 LYS 28 2HE LYS 28 5.103 19.253 -3.424 249 HE3 LYS 28 1HE LYS 28 5.498 17.652 -4.048 250 HZ1 LYS 28 3HZ LYS 28 6.345 19.893 -5.172 251 HZ2 LYS 28 1HZ LYS 28 4.899 19.698 -6.029 252 HZ3 LYS 28 2HZ LYS 28 6.069 18.476 -6.053 253 H TYR 29 H TYR 29 4.702 13.793 -5.533 254 HA TYR 29 HA TYR 29 3.194 11.481 -6.549 255 HB2 TYR 29 2HB TYR 29 5.820 12.422 -7.707 256 HB3 TYR 29 1HB TYR 29 4.767 11.156 -8.329 257 HD1 TYR 29 2HD TYR 29 2.206 12.142 -8.644 258 HD2 TYR 29 1HD TYR 29 5.835 14.336 -8.975 259 HE1 TYR 29 2HE TYR 29 1.074 13.785 -10.082 260 HE2 TYR 29 1HE TYR 29 4.714 15.986 -10.414 261 HH TYR 29 HH TYR 29 1.589 15.453 -11.731 262 H VAL 30 H VAL 30 3.443 10.449 -4.539 263 HA VAL 30 HA VAL 30 5.889 10.137 -3.185 264 HB VAL 30 HB VAL 30 3.645 8.127 -3.108 265 HG11 VAL 30 1HG1 VAL 30 5.656 9.040 -1.054 266 HG12 VAL 30 2HG1 VAL 30 5.658 7.499 -1.912 267 HG13 VAL 30 3HG1 VAL 30 4.366 7.871 -0.770 268 HG21 VAL 30 3HG2 VAL 30 3.541 10.931 -2.442 269 HG22 VAL 30 1HG2 VAL 30 3.277 9.936 -1.010 270 HG23 VAL 30 2HG2 VAL 30 2.254 9.726 -2.431 271 H ASP 31 H ASP 31 7.208 8.242 -2.968 272 HA ASP 31 HA ASP 31 7.415 6.746 -5.488 273 HB2 ASP 31 2HB ASP 31 9.335 8.171 -4.142 274 HB3 ASP 31 1HB ASP 31 9.647 6.529 -3.587 275 H THR 32 H THR 32 8.456 4.500 -5.159 276 HA THR 32 HA THR 32 6.651 2.897 -3.733 277 HB THR 32 HB THR 32 8.523 1.115 -4.113 278 HG1 THR 32 1HG THR 32 10.073 1.718 -5.567 279 HG21 THR 32 3HG2 THR 32 7.664 2.309 -6.691 280 HG22 THR 32 1HG2 THR 32 6.433 1.699 -5.583 281 HG23 THR 32 2HG2 THR 32 7.698 0.623 -6.177 282 H GLY 33 H GLY 33 10.136 3.350 -3.084 283 HA2 GLY 33 2HA GLY 33 10.078 2.114 -0.552 284 HA3 GLY 33 1HA GLY 33 11.338 3.190 -1.134 285 H ILE 34 H ILE 34 9.475 5.417 -1.547 286 HA ILE 34 HA ILE 34 9.615 6.524 1.085 287 HB ILE 34 HB ILE 34 8.200 7.696 -1.308 288 HG12 ILE 34 2HG1 ILE 34 11.094 8.011 -0.476 289 HG13 ILE 34 1HG1 ILE 34 10.530 7.086 -1.865 290 HG21 ILE 34 1HG2 ILE 34 8.152 8.559 1.248 291 HG22 ILE 34 2HG2 ILE 34 8.023 9.620 -0.154 292 HG23 ILE 34 3HG2 ILE 34 9.578 9.405 0.650 293 HD11 ILE 34 3HD1 ILE 34 10.949 8.963 -2.994 294 HD12 ILE 34 1HD1 ILE 34 10.905 9.966 -1.544 295 HD13 ILE 34 2HD1 ILE 34 9.402 9.505 -2.343 296 H LEU 35 H LEU 35 6.951 5.607 -1.081 297 HA LEU 35 HA LEU 35 4.846 6.362 0.605 298 HB2 LEU 35 2HB LEU 35 4.588 5.817 -1.785 299 HB3 LEU 35 1HB LEU 35 4.912 4.132 -1.429 300 HG LEU 35 HG LEU 35 2.866 4.128 0.029 301 HD11 LEU 35 1HD1 LEU 35 1.986 6.603 -1.375 302 HD12 LEU 35 2HD1 LEU 35 2.957 6.744 0.091 303 HD13 LEU 35 3HD1 LEU 35 1.411 5.897 0.135 304 HD21 LEU 35 3HD2 LEU 35 1.840 4.910 -2.608 305 HD22 LEU 35 1HD2 LEU 35 1.651 3.401 -1.714 306 HD23 LEU 35 2HD2 LEU 35 3.123 3.702 -2.636 307 H ALA 36 H ALA 36 6.454 3.216 0.213 308 HA ALA 36 HA ALA 36 4.924 1.743 2.007 309 HB1 ALA 36 1HB ALA 36 7.841 1.457 1.307 310 HB2 ALA 36 2HB ALA 36 6.477 0.666 0.519 311 HB3 ALA 36 3HB ALA 36 6.895 0.252 2.182 312 H SER 37 H SER 37 7.982 3.466 2.629 313 HA SER 37 HA SER 37 8.162 2.894 5.354 314 HB2 SER 37 2HB SER 37 9.331 4.922 3.533 315 HB3 SER 37 1HB SER 37 9.376 5.299 5.255 316 HG SER 37 HG SER 37 10.243 2.811 4.227 317 H ASP 38 H ASP 38 6.740 5.727 3.739 318 HA ASP 38 HA ASP 38 5.924 7.068 6.058 319 HB2 ASP 38 2HB ASP 38 4.809 7.120 3.249 320 HB3 ASP 38 1HB ASP 38 4.289 8.219 4.524 321 H LEU 39 H LEU 39 4.203 4.741 4.008 322 HA LEU 39 HA LEU 39 1.719 4.840 5.264 323 HB2 LEU 39 2HB LEU 39 2.770 3.451 3.178 324 HB3 LEU 39 1HB LEU 39 2.603 2.175 4.368 325 HG LEU 39 HG LEU 39 0.214 2.656 4.578 326 HD11 LEU 39 1HD1 LEU 39 -0.288 4.816 4.157 327 HD12 LEU 39 2HD1 LEU 39 -0.567 4.200 2.528 328 HD13 LEU 39 3HD1 LEU 39 0.963 4.982 2.925 329 HD21 LEU 39 3HD2 LEU 39 1.299 1.190 2.711 330 HD22 LEU 39 1HD2 LEU 39 0.709 2.460 1.640 331 HD23 LEU 39 2HD2 LEU 39 -0.424 1.564 2.651 332 H GLN 40 H GLN 40 4.455 2.652 5.912 333 HA GLN 40 HA GLN 40 3.197 1.360 8.105 334 HB2 GLN 40 2HB GLN 40 5.372 0.366 8.535 335 HB3 GLN 40 1HB GLN 40 5.024 0.332 6.812 336 HG2 GLN 40 2HG GLN 40 6.625 1.909 6.320 337 HG3 GLN 40 1HG GLN 40 6.610 2.586 7.948 338 HE21 GLN 40 1HE2 GLN 40 8.769 2.433 8.331 339 HE22 GLN 40 2HE2 GLN 40 9.614 0.932 8.474 340 H ARG 41 H ARG 41 5.150 4.233 7.788 341 HA ARG 41 HA ARG 41 5.872 4.503 10.512 342 HB2 ARG 41 2HB ARG 41 6.854 5.701 8.461 343 HB3 ARG 41 1HB ARG 41 5.499 6.809 8.616 344 HG2 ARG 41 2HG ARG 41 7.270 7.845 9.737 345 HG3 ARG 41 1HG ARG 41 6.259 7.164 11.013 346 HD2 ARG 41 2HD ARG 41 7.766 5.201 11.099 347 HD3 ARG 41 1HD ARG 41 8.801 5.980 9.903 348 HE ARG 41 HE ARG 41 9.629 7.343 11.550 349 HH11 ARG 41 1HH1 ARG 41 6.745 5.764 12.721 350 HH12 ARG 41 2HH1 ARG 41 6.957 6.309 14.351 351 HH21 ARG 41 1HH2 ARG 41 9.910 8.061 13.693 352 HH22 ARG 41 2HH2 ARG 41 8.755 7.613 14.903 353 H LEU 42 H LEU 42 3.236 5.923 8.595 354 HA LEU 42 HA LEU 42 2.098 7.281 10.841 355 HB2 LEU 42 2HB LEU 42 0.200 7.720 9.309 356 HB3 LEU 42 1HB LEU 42 1.755 8.206 8.663 357 HG LEU 42 HG LEU 42 1.550 5.708 7.621 358 HD11 LEU 42 1HD1 LEU 42 -0.686 5.345 6.823 359 HD12 LEU 42 2HD1 LEU 42 -1.249 6.821 7.609 360 HD13 LEU 42 3HD1 LEU 42 -0.714 5.451 8.583 361 HD21 LEU 42 3HD2 LEU 42 0.484 8.283 6.469 362 HD22 LEU 42 1HD2 LEU 42 0.854 6.831 5.538 363 HD23 LEU 42 2HD2 LEU 42 2.144 7.693 6.376 364 H TYR 43 H TYR 43 1.666 4.158 9.343 365 HA TYR 43 HA TYR 43 -0.551 3.593 11.194 366 HB2 TYR 43 2HB TYR 43 0.150 2.534 8.482 367 HB3 TYR 43 1HB TYR 43 -0.765 1.519 9.591 368 HD1 TYR 43 2HD TYR 43 -2.482 3.548 10.912 369 HD2 TYR 43 1HD TYR 43 -1.395 3.088 6.825 370 HE1 TYR 43 2HE TYR 43 -4.554 4.687 10.239 371 HE2 TYR 43 1HE TYR 43 -3.464 4.225 6.141 372 HH TYR 43 HH TYR 43 -6.022 4.542 7.787 373 H SER 44 H SER 44 1.972 3.608 12.271 374 HA SER 44 HA SER 44 3.356 1.175 12.230 375 HB2 SER 44 2HB SER 44 3.800 3.572 13.404 376 HB3 SER 44 1HB SER 44 3.290 2.634 14.807 377 HG SER 44 HG SER 44 4.896 1.037 14.012 378 H VAL 45 H VAL 45 0.493 2.177 13.964 379 HA VAL 45 HA VAL 45 0.481 -0.019 15.798 380 HB VAL 45 HB VAL 45 -1.874 1.684 14.982 381 HG11 VAL 45 1HG1 VAL 45 -2.744 -0.055 16.227 382 HG12 VAL 45 2HG1 VAL 45 -2.420 1.153 17.471 383 HG13 VAL 45 3HG1 VAL 45 -1.304 -0.192 17.236 384 HG21 VAL 45 3HG2 VAL 45 -1.274 3.031 17.018 385 HG22 VAL 45 1HG2 VAL 45 -0.175 3.208 15.649 386 HG23 VAL 45 2HG2 VAL 45 0.281 2.198 17.022 387 H ASP 46 H ASP 46 -1.160 0.694 12.739 388 HA ASP 46 HA ASP 46 -2.631 -1.769 12.737 389 HB2 ASP 46 2HB ASP 46 -3.003 0.585 11.472 390 HB3 ASP 46 1HB ASP 46 -2.215 -0.321 10.184 391 H TYR 47 H TYR 47 0.065 -0.511 10.771 392 HA TYR 47 HA TYR 47 0.571 -3.145 9.679 393 HB2 TYR 47 2HB TYR 47 1.790 -0.428 9.243 394 HB3 TYR 47 1HB TYR 47 2.532 -1.881 8.581 395 HD1 TYR 47 2HD TYR 47 0.212 -3.446 7.726 396 HD2 TYR 47 1HD TYR 47 0.930 0.737 7.427 397 HE1 TYR 47 2HE TYR 47 -1.293 -3.333 5.785 398 HE2 TYR 47 1HE TYR 47 -0.575 0.862 5.485 399 HH TYR 47 HH TYR 47 -1.493 -0.573 3.770 400 H GLY 48 H GLY 48 2.670 -0.749 11.296 401 HA2 GLY 48 2HA GLY 48 4.200 -1.063 13.009 402 HA3 GLY 48 1HA GLY 48 3.681 -2.738 13.120 403 H ARG 49 H ARG 49 6.328 -2.129 13.371 404 HA ARG 49 HA ARG 49 7.620 -2.534 10.801 405 HB2 ARG 49 2HB ARG 49 8.501 -1.841 13.549 406 HB3 ARG 49 1HB ARG 49 9.654 -2.709 12.546 407 HG2 ARG 49 2HG ARG 49 9.361 -0.961 10.804 408 HG3 ARG 49 1HG ARG 49 8.353 -0.065 11.941 409 HD2 ARG 49 2HD ARG 49 10.478 -0.465 13.500 410 HD3 ARG 49 1HD ARG 49 11.283 -0.516 11.934 411 HE ARG 49 HE ARG 49 10.962 1.738 11.735 412 HH11 ARG 49 1HH1 ARG 49 8.860 0.524 14.241 413 HH12 ARG 49 2HH1 ARG 49 8.350 2.098 14.751 414 HH21 ARG 49 1HH2 ARG 49 10.293 3.811 12.404 415 HH22 ARG 49 2HH2 ARG 49 9.163 3.964 13.707 416 H ARG 50 H ARG 50 6.635 -4.623 10.397 417 HA ARG 50 HA ARG 50 7.875 -6.801 11.946 418 HB2 ARG 50 2HB ARG 50 5.214 -6.525 10.625 419 HB3 ARG 50 1HB ARG 50 5.948 -8.121 10.692 420 HG2 ARG 50 2HG ARG 50 5.705 -6.463 13.167 421 HG3 ARG 50 1HG ARG 50 4.333 -7.395 12.566 422 HD2 ARG 50 2HD ARG 50 5.805 -9.414 12.571 423 HD3 ARG 50 1HD ARG 50 7.045 -8.441 13.363 424 HE ARG 50 HE ARG 50 4.513 -8.417 14.723 425 HH11 ARG 50 1HH1 ARG 50 7.539 -10.114 14.341 426 HH12 ARG 50 2HH1 ARG 50 7.462 -10.858 15.902 427 HH21 ARG 50 1HH2 ARG 50 4.410 -9.396 16.776 428 HH22 ARG 50 2HH2 ARG 50 5.686 -10.451 17.285 429 H LYS 51 H LYS 51 6.511 -6.401 8.675 430 HA LYS 51 HA LYS 51 8.812 -7.900 7.628 431 HB2 LYS 51 2HB LYS 51 5.956 -7.713 6.870 432 HB3 LYS 51 1HB LYS 51 7.102 -7.827 5.541 433 HG2 LYS 51 2HG LYS 51 7.990 -9.891 6.439 434 HG3 LYS 51 1HG LYS 51 6.923 -9.763 7.840 435 HD2 LYS 51 2HD LYS 51 5.123 -10.492 6.693 436 HD3 LYS 51 1HD LYS 51 5.581 -9.625 5.225 437 HE2 LYS 51 2HE LYS 51 6.033 -11.670 4.420 438 HE3 LYS 51 1HE LYS 51 7.523 -11.521 5.352 439 HZ1 LYS 51 3HZ LYS 51 6.819 -13.454 6.224 440 HZ2 LYS 51 1HZ LYS 51 5.194 -13.185 5.834 441 HZ3 LYS 51 2HZ LYS 51 5.866 -12.462 7.208 442 H ARG 52 H ARG 52 10.259 -6.166 7.503 443 HA ARG 52 HA ARG 52 9.658 -3.698 6.258 444 HB2 ARG 52 2HB ARG 52 11.925 -4.943 7.508 445 HB3 ARG 52 1HB ARG 52 12.431 -4.186 6.004 446 HG2 ARG 52 2HG ARG 52 11.640 -2.059 6.712 447 HG3 ARG 52 1HG ARG 52 10.836 -2.762 8.118 448 HD2 ARG 52 2HD ARG 52 12.943 -1.652 8.718 449 HD3 ARG 52 1HD ARG 52 12.982 -3.380 9.066 450 HE ARG 52 HE ARG 52 14.078 -3.232 6.603 451 HH11 ARG 52 1HH1 ARG 52 14.734 -1.565 9.599 452 HH12 ARG 52 2HH1 ARG 52 16.417 -1.352 9.257 453 HH21 ARG 52 1HH2 ARG 52 16.292 -2.953 6.152 454 HH22 ARG 52 2HH2 ARG 52 17.303 -2.139 7.299 455 H ASN 53 H ASN 53 11.208 -6.662 5.078 456 HA ASN 53 HA ASN 53 11.683 -5.623 2.459 457 HB2 ASN 53 2HB ASN 53 12.702 -7.715 3.826 458 HB3 ASN 53 1HB ASN 53 11.518 -8.558 2.831 459 HD21 ASN 53 1HD2 ASN 53 13.539 -9.534 2.006 460 HD22 ASN 53 2HD2 ASN 53 14.342 -8.742 0.697 461 H ALA 54 H ALA 54 9.297 -7.887 3.815 462 HA ALA 54 HA ALA 54 7.927 -8.423 1.433 463 HB1 ALA 54 1HB ALA 54 6.609 -9.695 2.720 464 HB2 ALA 54 2HB ALA 54 6.241 -8.370 3.822 465 HB3 ALA 54 3HB ALA 54 7.734 -9.289 4.015 466 H PHE 55 H PHE 55 7.258 -5.998 3.953 467 HA PHE 55 HA PHE 55 4.965 -4.897 2.796 468 HB2 PHE 55 2HB PHE 55 5.863 -4.481 5.128 469 HB3 PHE 55 1HB PHE 55 7.003 -3.353 4.402 470 HD1 PHE 55 1HD PHE 55 6.221 -1.261 3.414 471 HD2 PHE 55 2HD PHE 55 3.543 -3.940 5.356 472 HE1 PHE 55 1HE PHE 55 4.531 0.523 3.539 473 HE2 PHE 55 2HE PHE 55 1.849 -2.161 5.483 474 HZ PHE 55 HZ PHE 55 2.342 0.074 4.573 475 H ARG 56 H ARG 56 8.382 -4.105 2.340 476 HA ARG 56 HA ARG 56 8.047 -1.823 0.750 477 HB2 ARG 56 2HB ARG 56 10.241 -3.826 1.105 478 HB3 ARG 56 1HB ARG 56 10.355 -2.655 -0.202 479 HG2 ARG 56 2HG ARG 56 9.913 -1.884 2.669 480 HG3 ARG 56 1HG ARG 56 11.509 -2.016 1.927 481 HD2 ARG 56 2HD ARG 56 10.751 -0.374 0.201 482 HD3 ARG 56 1HD ARG 56 9.272 -0.157 1.135 483 HE ARG 56 HE ARG 56 10.439 1.158 2.593 484 HH11 ARG 56 1HH1 ARG 56 12.714 -0.717 0.726 485 HH12 ARG 56 2HH1 ARG 56 14.101 0.106 1.357 486 HH21 ARG 56 1HH2 ARG 56 12.262 2.241 3.425 487 HH22 ARG 56 2HH2 ARG 56 13.845 1.784 2.889 488 H ILE 57 H ILE 57 8.342 -5.242 -0.147 489 HA ILE 57 HA ILE 57 8.254 -4.840 -2.940 490 HB ILE 57 HB ILE 57 7.333 -7.298 -1.448 491 HG12 ILE 57 2HG1 ILE 57 10.067 -7.122 -2.596 492 HG13 ILE 57 1HG1 ILE 57 9.774 -6.223 -1.112 493 HG21 ILE 57 1HG2 ILE 57 7.621 -8.485 -3.434 494 HG22 ILE 57 2HG2 ILE 57 8.584 -7.204 -4.171 495 HG23 ILE 57 3HG2 ILE 57 6.848 -6.986 -3.950 496 HD11 ILE 57 3HD1 ILE 57 8.668 -8.722 -0.641 497 HD12 ILE 57 1HD1 ILE 57 10.198 -8.101 -0.021 498 HD13 ILE 57 2HD1 ILE 57 10.169 -9.047 -1.509 499 H GLN 58 H GLN 58 5.739 -5.391 -0.524 500 HA GLN 58 HA GLN 58 3.583 -5.769 -2.279 501 HB2 GLN 58 2HB GLN 58 3.751 -4.740 0.547 502 HB3 GLN 58 1HB GLN 58 2.215 -4.897 -0.292 503 HG2 GLN 58 2HG GLN 58 2.178 -7.125 -0.079 504 HG3 GLN 58 1HG GLN 58 3.907 -7.287 -0.380 505 HE21 GLN 58 1HE2 GLN 58 2.114 -5.494 2.091 506 HE22 GLN 58 2HE2 GLN 58 2.851 -6.276 3.443 507 H VAL 59 H VAL 59 4.856 -2.818 -0.770 508 HA VAL 59 HA VAL 59 2.928 -1.070 -1.884 509 HB VAL 59 HB VAL 59 5.738 -0.344 -1.054 510 HG11 VAL 59 1HG1 VAL 59 4.175 1.738 -0.349 511 HG12 VAL 59 2HG1 VAL 59 3.315 1.165 -1.779 512 HG13 VAL 59 3HG1 VAL 59 5.015 1.619 -1.895 513 HG21 VAL 59 3HG2 VAL 59 3.987 0.286 1.021 514 HG22 VAL 59 1HG2 VAL 59 5.197 -0.995 1.005 515 HG23 VAL 59 2HG2 VAL 59 3.536 -1.344 0.525 516 H GLU 60 H GLU 60 5.975 -2.338 -3.043 517 HA GLU 60 HA GLU 60 6.422 -0.518 -5.141 518 HB2 GLU 60 2HB GLU 60 7.255 -3.385 -4.727 519 HB3 GLU 60 1HB GLU 60 7.747 -2.459 -6.139 520 HG2 GLU 60 2HG GLU 60 8.303 -0.891 -3.851 521 HG3 GLU 60 1HG GLU 60 8.908 -2.519 -3.550 522 H LYS 61 H LYS 61 4.842 -3.707 -5.141 523 HA LYS 61 HA LYS 61 4.051 -3.503 -7.885 524 HB2 LYS 61 2HB LYS 61 3.671 -5.446 -5.674 525 HB3 LYS 61 1HB LYS 61 2.464 -5.464 -6.953 526 HG2 LYS 61 2HG LYS 61 4.235 -7.078 -7.373 527 HG3 LYS 61 1HG LYS 61 4.206 -5.823 -8.614 528 HD2 LYS 61 2HD LYS 61 6.237 -5.033 -8.039 529 HD3 LYS 61 1HD LYS 61 5.947 -5.258 -6.313 530 HE2 LYS 61 2HE LYS 61 6.741 -7.369 -8.313 531 HE3 LYS 61 1HE LYS 61 7.734 -6.714 -7.012 532 HZ1 LYS 61 3HZ LYS 61 5.614 -8.695 -6.908 533 HZ2 LYS 61 1HZ LYS 61 5.631 -7.579 -5.637 534 HZ3 LYS 61 2HZ LYS 61 6.994 -8.532 -5.942 535 H VAL 62 H VAL 62 2.579 -2.793 -4.788 536 HA VAL 62 HA VAL 62 -0.077 -2.483 -5.756 537 HB VAL 62 HB VAL 62 1.326 -1.730 -3.221 538 HG11 VAL 62 1HG1 VAL 62 -1.071 -0.971 -2.493 539 HG12 VAL 62 2HG1 VAL 62 -1.259 -0.611 -4.210 540 HG13 VAL 62 3HG1 VAL 62 0.022 0.167 -3.280 541 HG21 VAL 62 3HG2 VAL 62 -0.944 -3.039 -2.550 542 HG22 VAL 62 1HG2 VAL 62 0.594 -3.834 -2.887 543 HG23 VAL 62 2HG2 VAL 62 -0.634 -3.718 -4.147 544 H PHE 63 H PHE 63 2.692 -0.358 -5.497 545 HA PHE 63 HA PHE 63 1.262 2.068 -5.906 546 HB2 PHE 63 2HB PHE 63 3.547 1.902 -4.888 547 HB3 PHE 63 1HB PHE 63 4.178 1.530 -6.490 548 HD1 PHE 63 1HD PHE 63 2.254 4.113 -4.634 549 HD2 PHE 63 2HD PHE 63 4.844 3.243 -7.897 550 HE1 PHE 63 1HE PHE 63 2.469 6.520 -5.100 551 HE2 PHE 63 2HE PHE 63 5.064 5.648 -8.369 552 HZ PHE 63 HZ PHE 63 3.877 7.290 -6.969 553 H SER 64 H SER 64 2.850 -0.244 -8.033 554 HA SER 64 HA SER 64 2.574 1.352 -10.388 555 HB2 SER 64 2HB SER 64 3.141 -1.602 -10.052 556 HB3 SER 64 1HB SER 64 3.242 -0.723 -11.578 557 HG SER 64 HG SER 64 4.771 -0.211 -9.241 558 H ILE 65 H ILE 65 0.670 -1.137 -8.817 559 HA ILE 65 HA ILE 65 -1.112 -1.516 -11.026 560 HB ILE 65 HB ILE 65 -0.630 -3.214 -9.221 561 HG12 ILE 65 2HG1 ILE 65 -3.531 -2.549 -9.765 562 HG13 ILE 65 1HG1 ILE 65 -2.469 -3.450 -10.843 563 HG21 ILE 65 1HG2 ILE 65 -2.611 -1.582 -7.642 564 HG22 ILE 65 2HG2 ILE 65 -0.883 -1.694 -7.310 565 HG23 ILE 65 3HG2 ILE 65 -1.900 -3.126 -7.167 566 HD11 ILE 65 3HD1 ILE 65 -4.158 -4.554 -9.032 567 HD12 ILE 65 1HD1 ILE 65 -2.640 -4.540 -8.135 568 HD13 ILE 65 2HD1 ILE 65 -2.733 -5.350 -9.700 569 H ILE 66 H ILE 66 -1.279 0.303 -7.981 570 HA ILE 66 HA ILE 66 -3.934 1.128 -8.137 571 HB ILE 66 HB ILE 66 -3.285 3.048 -6.733 572 HG12 ILE 66 2HG1 ILE 66 -0.462 2.037 -7.140 573 HG13 ILE 66 1HG1 ILE 66 -1.118 3.520 -7.826 574 HG21 ILE 66 1HG2 ILE 66 -3.667 1.331 -5.317 575 HG22 ILE 66 2HG2 ILE 66 -1.935 1.487 -5.023 576 HG23 ILE 66 3HG2 ILE 66 -2.534 0.258 -6.137 577 HD11 ILE 66 3HD1 ILE 66 -0.439 2.893 -4.991 578 HD12 ILE 66 1HD1 ILE 66 -1.607 4.156 -5.376 579 HD13 ILE 66 2HD1 ILE 66 0.046 4.268 -5.983 580 H SER 67 H SER 67 -1.061 2.457 -9.688 581 HA SER 67 HA SER 67 -2.325 4.818 -10.646 582 HB2 SER 67 2HB SER 67 -0.276 4.596 -12.339 583 HB3 SER 67 1HB SER 67 -0.050 5.103 -10.665 584 HG SER 67 HG SER 67 1.397 3.489 -10.988 585 H SER 68 H SER 68 -1.496 1.733 -12.210 586 HA SER 68 HA SER 68 -2.731 2.441 -14.684 587 HB2 SER 68 2HB SER 68 -1.339 0.090 -13.564 588 HB3 SER 68 1HB SER 68 -2.527 -0.263 -14.820 589 HG SER 68 HG SER 68 -1.192 0.515 -16.233 590 H GLU 69 H GLU 69 -3.739 0.548 -11.874 591 HA GLU 69 HA GLU 69 -6.124 -0.435 -13.067 592 HB2 GLU 69 2HB GLU 69 -4.785 -1.244 -10.953 593 HB3 GLU 69 1HB GLU 69 -5.857 -0.135 -10.107 594 HG2 GLU 69 2HG GLU 69 -7.053 -2.093 -11.990 595 HG3 GLU 69 1HG GLU 69 -6.462 -2.673 -10.434 596 H LYS 70 H LYS 70 -5.532 2.199 -10.724 597 HA LYS 70 HA LYS 70 -8.301 3.030 -10.927 598 HB2 LYS 70 2HB LYS 70 -5.966 4.030 -9.314 599 HB3 LYS 70 1HB LYS 70 -7.493 4.895 -9.372 600 HG2 LYS 70 2HG LYS 70 -7.292 3.444 -7.401 601 HG3 LYS 70 1HG LYS 70 -8.654 3.006 -8.433 602 HD2 LYS 70 2HD LYS 70 -7.427 1.159 -9.362 603 HD3 LYS 70 1HD LYS 70 -5.961 1.652 -8.513 604 HE2 LYS 70 2HE LYS 70 -6.718 -0.008 -7.123 605 HE3 LYS 70 1HE LYS 70 -7.480 1.404 -6.391 606 HZ1 LYS 70 3HZ LYS 70 -9.015 0.094 -8.475 607 HZ2 LYS 70 1HZ LYS 70 -9.519 0.715 -6.984 608 HZ3 LYS 70 2HZ LYS 70 -8.797 -0.812 -7.064 609 H GLU 71 H GLU 71 -5.125 4.509 -11.572 610 HA GLU 71 HA GLU 71 -4.467 6.108 -13.049 611 HB2 GLU 71 2HB GLU 71 -6.611 4.697 -14.374 612 HB3 GLU 71 1HB GLU 71 -6.608 6.390 -14.849 613 HG2 GLU 71 2HG GLU 71 -4.409 6.254 -15.683 614 HG3 GLU 71 1HG GLU 71 -4.135 4.690 -14.917 615 H LEU 72 H LEU 72 -4.813 8.333 -13.634 616 HA LEU 72 HA LEU 72 -6.528 9.683 -11.732 617 HB2 LEU 72 2HB LEU 72 -4.346 10.514 -13.596 618 HB3 LEU 72 1HB LEU 72 -5.450 11.731 -12.982 619 HG LEU 72 HG LEU 72 -4.742 10.469 -10.675 620 HD11 LEU 72 1HD1 LEU 72 -2.081 10.734 -11.906 621 HD12 LEU 72 2HD1 LEU 72 -3.013 9.316 -12.389 622 HD13 LEU 72 3HD1 LEU 72 -2.664 9.604 -10.684 623 HD21 LEU 72 3HD2 LEU 72 -2.893 12.404 -10.728 624 HD22 LEU 72 1HD2 LEU 72 -4.614 12.723 -10.513 625 HD23 LEU 72 2HD2 LEU 72 -3.877 12.908 -12.104 626 H LYS 73 H LYS 73 -7.917 11.483 -12.383 627 HA LYS 73 HA LYS 73 -9.668 12.357 -13.534 628 HB2 LYS 73 2HB LYS 73 -7.820 11.537 -15.736 629 HB3 LYS 73 1HB LYS 73 -9.448 12.061 -16.145 630 HG2 LYS 73 2HG LYS 73 -8.194 14.000 -16.316 631 HG3 LYS 73 1HG LYS 73 -8.923 14.128 -14.714 632 HD2 LYS 73 2HD LYS 73 -6.644 14.739 -14.470 633 HD3 LYS 73 1HD LYS 73 -6.802 13.116 -13.797 634 HE2 LYS 73 2HE LYS 73 -5.011 12.669 -15.081 635 HE3 LYS 73 1HE LYS 73 -6.204 12.541 -16.373 636 HZ1 LYS 73 3HZ LYS 73 -5.721 15.154 -16.407 637 HZ2 LYS 73 1HZ LYS 73 -4.862 14.040 -17.347 638 HZ3 LYS 73 2HZ LYS 73 -4.212 14.596 -15.888 639 H ASN 74 H ASN 74 -9.041 9.701 -15.798 640 HA ASN 74 HA ASN 74 -11.768 8.755 -15.357 641 HB2 ASN 74 2HB ASN 74 -10.625 9.170 -17.673 642 HB3 ASN 74 1HB ASN 74 -9.897 7.591 -17.393 643 HD21 ASN 74 1HD2 ASN 74 -11.406 7.775 -19.539 644 HD22 ASN 74 2HD2 ASN 74 -12.936 7.002 -19.319 Start of MODEL 12 1 H MET 1 H MET 1 -20.903 -26.240 0.893 2 HA MET 1 HA MET 1 -18.845 -26.584 1.818 3 HB2 MET 1 2HB MET 1 -18.680 -28.937 1.075 4 HB3 MET 1 1HB MET 1 -18.281 -28.387 -0.547 5 HG2 MET 1 2HG MET 1 -16.148 -28.009 -0.025 6 HG3 MET 1 1HG MET 1 -16.557 -27.263 1.519 7 HE1 MET 1 2HE MET 1 -13.903 -29.336 1.146 8 HE2 MET 1 3HE MET 1 -14.087 -29.873 2.815 9 HE3 MET 1 1HE MET 1 -14.395 -28.190 2.393 10 H LYS 2 H LYS 2 -18.951 -24.350 1.255 11 HA LYS 2 HA LYS 2 -17.959 -23.542 -1.353 12 HB2 LYS 2 2HB LYS 2 -19.410 -22.279 0.852 13 HB3 LYS 2 1HB LYS 2 -18.162 -21.247 0.168 14 HG2 LYS 2 2HG LYS 2 -19.945 -20.676 -1.137 15 HG3 LYS 2 1HG LYS 2 -19.242 -21.972 -2.107 16 HD2 LYS 2 2HD LYS 2 -21.067 -23.237 -1.886 17 HD3 LYS 2 1HD LYS 2 -21.104 -22.998 -0.138 18 HE2 LYS 2 2HE LYS 2 -21.916 -20.658 -1.707 19 HE3 LYS 2 1HE LYS 2 -22.971 -22.059 -1.887 20 HZ1 LYS 2 3HZ LYS 2 -23.591 -21.990 0.294 21 HZ2 LYS 2 1HZ LYS 2 -23.339 -20.338 0.025 22 HZ3 LYS 2 2HZ LYS 2 -22.158 -21.257 0.814 23 HA PRO 3 HA PRO 3 -13.749 -23.045 -0.131 24 HB2 PRO 3 2HB PRO 3 -12.974 -21.023 -1.766 25 HB3 PRO 3 1HB PRO 3 -13.271 -22.666 -2.347 26 HG2 PRO 3 2HG PRO 3 -15.058 -20.267 -2.455 27 HG3 PRO 3 1HG PRO 3 -14.739 -21.481 -3.707 28 HD2 PRO 3 2HD PRO 3 -16.966 -21.527 -2.168 29 HD3 PRO 3 1HD PRO 3 -16.198 -23.005 -2.779 30 H ARG 4 H ARG 4 -12.174 -20.889 0.057 31 HA ARG 4 HA ARG 4 -13.554 -19.126 1.975 32 HB2 ARG 4 2HB ARG 4 -11.296 -18.947 3.102 33 HB3 ARG 4 1HB ARG 4 -12.097 -20.506 3.243 34 HG2 ARG 4 2HG ARG 4 -10.313 -20.282 0.936 35 HG3 ARG 4 1HG ARG 4 -9.508 -20.131 2.500 36 HD2 ARG 4 2HD ARG 4 -10.268 -22.252 3.205 37 HD3 ARG 4 1HD ARG 4 -11.436 -22.355 1.889 38 HE ARG 4 HE ARG 4 -9.785 -23.185 0.551 39 HH11 ARG 4 1HH1 ARG 4 -8.300 -21.595 3.281 40 HH12 ARG 4 2HH1 ARG 4 -6.700 -22.107 2.867 41 HH21 ARG 4 1HH2 ARG 4 -7.679 -23.859 0.006 42 HH22 ARG 4 2HH2 ARG 4 -6.346 -23.391 1.008 43 HA PRO 5 HA PRO 5 -11.556 -16.648 -1.498 44 HB2 PRO 5 2HB PRO 5 -13.805 -15.382 -2.331 45 HB3 PRO 5 1HB PRO 5 -13.296 -16.949 -2.972 46 HG2 PRO 5 2HG PRO 5 -15.343 -16.336 -0.875 47 HG3 PRO 5 1HG PRO 5 -15.429 -17.489 -2.219 48 HD2 PRO 5 2HD PRO 5 -14.865 -18.247 0.319 49 HD3 PRO 5 1HD PRO 5 -14.197 -19.081 -1.098 50 H GLY 6 H GLY 6 -10.870 -14.575 -1.217 51 HA2 GLY 6 2HA GLY 6 -11.927 -12.338 -0.310 52 HA3 GLY 6 1HA GLY 6 -11.793 -13.219 1.204 53 H VAL 7 H VAL 7 -10.403 -10.819 -0.292 54 HA VAL 7 HA VAL 7 -7.644 -11.654 0.313 55 HB VAL 7 HB VAL 7 -8.479 -9.294 -1.373 56 HG11 VAL 7 1HG1 VAL 7 -6.164 -9.301 -2.108 57 HG12 VAL 7 2HG1 VAL 7 -5.824 -10.699 -1.089 58 HG13 VAL 7 3HG1 VAL 7 -6.249 -9.154 -0.353 59 HG21 VAL 7 3HG2 VAL 7 -7.496 -11.966 -2.361 60 HG22 VAL 7 1HG2 VAL 7 -8.051 -10.599 -3.327 61 HG23 VAL 7 2HG2 VAL 7 -9.195 -11.496 -2.328 62 H PHE 8 H PHE 8 -7.961 -11.245 2.573 63 HA PHE 8 HA PHE 8 -8.096 -8.380 3.251 64 HB2 PHE 8 2HB PHE 8 -8.739 -10.736 5.037 65 HB3 PHE 8 1HB PHE 8 -8.912 -9.033 5.452 66 HD1 PHE 8 2HD PHE 8 -10.250 -11.775 3.400 67 HD2 PHE 8 1HD PHE 8 -10.791 -7.766 4.724 68 HE1 PHE 8 2HE PHE 8 -12.554 -11.805 2.537 69 HE2 PHE 8 1HE PHE 8 -13.097 -7.790 3.865 70 HZ PHE 8 HZ PHE 8 -13.981 -9.810 2.769 71 H VAL 9 H VAL 9 -5.800 -8.273 2.754 72 HA VAL 9 HA VAL 9 -4.187 -8.361 5.039 73 HB VAL 9 HB VAL 9 -4.222 -10.794 4.712 74 HG11 VAL 9 1HG1 VAL 9 -3.297 -11.844 2.764 75 HG12 VAL 9 2HG1 VAL 9 -2.858 -10.281 2.074 76 HG13 VAL 9 3HG1 VAL 9 -4.556 -10.722 2.248 77 HG21 VAL 9 3HG2 VAL 9 -2.263 -9.982 5.744 78 HG22 VAL 9 1HG2 VAL 9 -1.618 -9.373 4.221 79 HG23 VAL 9 2HG2 VAL 9 -1.713 -11.110 4.506 80 H ASP 10 H ASP 10 -4.125 -8.676 1.505 81 HA ASP 10 HA ASP 10 -1.936 -6.708 1.431 82 HB2 ASP 10 2HB ASP 10 -2.756 -8.850 -0.532 83 HB3 ASP 10 1HB ASP 10 -1.620 -7.568 -0.940 84 H ARG 11 H ARG 11 -5.177 -7.420 0.379 85 HA ARG 11 HA ARG 11 -5.474 -5.547 -1.667 86 HB2 ARG 11 2HB ARG 11 -7.091 -7.395 -0.783 87 HB3 ARG 11 1HB ARG 11 -7.701 -6.115 0.257 88 HG2 ARG 11 2HG ARG 11 -7.457 -5.357 -2.559 89 HG3 ARG 11 1HG ARG 11 -8.600 -6.666 -2.250 90 HD2 ARG 11 2HD ARG 11 -9.161 -4.866 -0.247 91 HD3 ARG 11 1HD ARG 11 -8.783 -3.824 -1.617 92 HE ARG 11 HE ARG 11 -10.721 -4.507 -2.632 93 HH11 ARG 11 1HH1 ARG 11 -10.011 -6.654 0.026 94 HH12 ARG 11 2HH1 ARG 11 -11.533 -7.473 -0.066 95 HH21 ARG 11 1HH2 ARG 11 -12.724 -5.585 -2.755 96 HH22 ARG 11 2HH2 ARG 11 -13.074 -6.868 -1.645 97 H LYS 12 H LYS 12 -5.501 -5.160 1.809 98 HA LYS 12 HA LYS 12 -6.696 -2.637 1.986 99 HB2 LYS 12 2HB LYS 12 -4.915 -4.267 3.702 100 HB3 LYS 12 1HB LYS 12 -4.951 -2.541 4.040 101 HG2 LYS 12 2HG LYS 12 -6.638 -3.201 5.397 102 HG3 LYS 12 1HG LYS 12 -7.568 -2.958 3.917 103 HD2 LYS 12 2HD LYS 12 -7.297 -5.368 3.406 104 HD3 LYS 12 1HD LYS 12 -6.479 -5.574 4.956 105 HE2 LYS 12 2HE LYS 12 -8.464 -5.901 5.896 106 HE3 LYS 12 1HE LYS 12 -8.865 -4.223 5.529 107 HZ1 LYS 12 3HZ LYS 12 -9.339 -6.530 3.720 108 HZ2 LYS 12 1HZ LYS 12 -9.762 -4.922 3.410 109 HZ3 LYS 12 2HZ LYS 12 -10.519 -5.770 4.662 110 H LEU 13 H LEU 13 -3.363 -3.581 1.322 111 HA LEU 13 HA LEU 13 -2.129 -1.095 1.552 112 HB2 LEU 13 2HB LEU 13 -1.231 -3.535 0.989 113 HB3 LEU 13 1HB LEU 13 -1.291 -2.915 -0.650 114 HG LEU 13 HG LEU 13 0.926 -2.590 0.150 115 HD11 LEU 13 1HD1 LEU 13 1.226 -0.320 -0.256 116 HD12 LEU 13 2HD1 LEU 13 -0.295 0.120 0.521 117 HD13 LEU 13 3HD1 LEU 13 -0.307 -0.680 -1.050 118 HD21 LEU 13 3HD2 LEU 13 -0.357 -1.330 2.566 119 HD22 LEU 13 1HD2 LEU 13 1.365 -1.236 2.199 120 HD23 LEU 13 2HD2 LEU 13 0.613 -2.801 2.510 121 H LYS 14 H LYS 14 -3.928 -2.512 -1.124 122 HA LYS 14 HA LYS 14 -3.353 -0.391 -2.956 123 HB2 LYS 14 2HB LYS 14 -4.043 -2.797 -3.515 124 HB3 LYS 14 1HB LYS 14 -5.685 -2.287 -3.149 125 HG2 LYS 14 2HG LYS 14 -5.179 -0.386 -4.856 126 HG3 LYS 14 1HG LYS 14 -3.909 -1.483 -5.404 127 HD2 LYS 14 2HD LYS 14 -5.810 -1.950 -6.737 128 HD3 LYS 14 1HD LYS 14 -5.696 -3.265 -5.566 129 HE2 LYS 14 2HE LYS 14 -7.331 -0.918 -4.803 130 HE3 LYS 14 1HE LYS 14 -7.973 -1.961 -6.071 131 HZ1 LYS 14 3HZ LYS 14 -7.671 -2.467 -3.241 132 HZ2 LYS 14 1HZ LYS 14 -7.196 -3.751 -4.235 133 HZ3 LYS 14 2HZ LYS 14 -8.764 -3.129 -4.349 134 H GLN 15 H GLN 15 -6.252 -1.324 -1.110 135 HA GLN 15 HA GLN 15 -7.845 0.852 -1.868 136 HB2 GLN 15 2HB GLN 15 -8.659 -1.235 -0.769 137 HB3 GLN 15 1HB GLN 15 -7.964 -0.665 0.742 138 HG2 GLN 15 2HG GLN 15 -10.088 0.042 1.045 139 HG3 GLN 15 1HG GLN 15 -9.456 1.452 0.195 140 HE21 GLN 15 1HE2 GLN 15 -12.171 0.157 0.408 141 HE22 GLN 15 2HE2 GLN 15 -12.697 -0.002 -1.230 142 H ARG 16 H ARG 16 -5.745 0.413 0.965 143 HA ARG 16 HA ARG 16 -6.334 2.900 2.159 144 HB2 ARG 16 2HB ARG 16 -5.014 0.736 3.011 145 HB3 ARG 16 1HB ARG 16 -3.633 1.715 2.538 146 HG2 ARG 16 2HG ARG 16 -3.945 2.180 4.801 147 HG3 ARG 16 1HG ARG 16 -4.662 3.558 3.964 148 HD2 ARG 16 2HD ARG 16 -6.345 1.204 4.723 149 HD3 ARG 16 1HD ARG 16 -5.948 2.435 5.922 150 HE ARG 16 HE ARG 16 -6.889 3.903 3.874 151 HH11 ARG 16 1HH1 ARG 16 -8.151 1.090 5.514 152 HH12 ARG 16 2HH1 ARG 16 -9.805 1.515 5.232 153 HH21 ARG 16 1HH2 ARG 16 -9.065 4.462 3.504 154 HH22 ARG 16 2HH2 ARG 16 -10.324 3.428 4.091 155 H VAL 17 H VAL 17 -3.841 1.891 -0.136 156 HA VAL 17 HA VAL 17 -2.438 4.357 -0.138 157 HB VAL 17 HB VAL 17 -2.482 1.996 -1.994 158 HG11 VAL 17 1HG1 VAL 17 -1.359 4.698 -2.536 159 HG12 VAL 17 2HG1 VAL 17 -2.057 3.518 -3.648 160 HG13 VAL 17 3HG1 VAL 17 -0.423 3.286 -3.026 161 HG21 VAL 17 3HG2 VAL 17 -0.324 1.576 -1.177 162 HG22 VAL 17 1HG2 VAL 17 -1.254 2.069 0.239 163 HG23 VAL 17 2HG2 VAL 17 -0.157 3.212 -0.537 164 H ILE 18 H ILE 18 -4.793 2.974 -2.452 165 HA ILE 18 HA ILE 18 -4.889 5.100 -4.225 166 HB ILE 18 HB ILE 18 -7.119 4.349 -4.874 167 HG12 ILE 18 2HG1 ILE 18 -6.959 2.515 -2.474 168 HG13 ILE 18 1HG1 ILE 18 -7.998 3.930 -2.599 169 HG21 ILE 18 1HG2 ILE 18 -6.133 2.709 -5.991 170 HG22 ILE 18 2HG2 ILE 18 -6.085 1.699 -4.547 171 HG23 ILE 18 3HG2 ILE 18 -4.765 2.818 -4.884 172 HD11 ILE 18 3HD1 ILE 18 -9.333 2.029 -3.036 173 HD12 ILE 18 1HD1 ILE 18 -8.159 1.384 -4.182 174 HD13 ILE 18 2HD1 ILE 18 -9.072 2.839 -4.581 175 H GLN 19 H GLN 19 -6.560 4.692 -1.151 176 HA GLN 19 HA GLN 19 -8.201 7.009 -1.429 177 HB2 GLN 19 2HB GLN 19 -7.387 5.452 1.032 178 HB3 GLN 19 1HB GLN 19 -8.618 6.707 1.001 179 HG2 GLN 19 2HG GLN 19 -8.936 4.496 -0.928 180 HG3 GLN 19 1HG GLN 19 -9.165 4.105 0.776 181 HE21 GLN 19 1HE2 GLN 19 -11.114 4.126 -1.370 182 HE22 GLN 19 2HE2 GLN 19 -12.344 5.244 -0.903 183 H TYR 20 H TYR 20 -5.027 6.365 -0.076 184 HA TYR 20 HA TYR 20 -4.719 8.840 1.270 185 HB2 TYR 20 2HB TYR 20 -2.954 6.586 0.495 186 HB3 TYR 20 1HB TYR 20 -2.166 8.131 0.800 187 HD1 TYR 20 1HD TYR 20 -3.773 9.228 2.995 188 HD2 TYR 20 2HD TYR 20 -2.431 5.247 2.323 189 HE1 TYR 20 1HE TYR 20 -3.858 8.797 5.414 190 HE2 TYR 20 2HE TYR 20 -2.513 4.805 4.740 191 HH TYR 20 HH TYR 20 -2.872 7.281 7.051 192 H LEU 21 H LEU 21 -3.855 7.740 -1.981 193 HA LEU 21 HA LEU 21 -2.502 10.158 -2.681 194 HB2 LEU 21 2HB LEU 21 -3.693 8.378 -4.759 195 HB3 LEU 21 1HB LEU 21 -2.165 9.235 -4.772 196 HG LEU 21 HG LEU 21 -2.254 7.166 -2.715 197 HD11 LEU 21 1HD1 LEU 21 -1.947 5.870 -5.301 198 HD12 LEU 21 2HD1 LEU 21 -3.589 6.443 -5.008 199 HD13 LEU 21 3HD1 LEU 21 -2.824 5.343 -3.865 200 HD21 LEU 21 3HD2 LEU 21 -0.086 6.688 -3.495 201 HD22 LEU 21 1HD2 LEU 21 -0.262 8.438 -3.622 202 HD23 LEU 21 2HD2 LEU 21 -0.401 7.432 -5.063 203 H SER 22 H SER 22 -5.750 8.873 -3.237 204 HA SER 22 HA SER 22 -6.658 10.970 -4.892 205 HB2 SER 22 2HB SER 22 -7.899 8.931 -4.890 206 HB3 SER 22 1HB SER 22 -8.124 8.993 -3.142 207 HG SER 22 HG SER 22 -10.003 9.718 -4.040 208 H SER 23 H SER 23 -7.040 10.409 -1.397 209 HA SER 23 HA SER 23 -8.517 12.718 -0.835 210 HB2 SER 23 2HB SER 23 -7.926 10.646 0.657 211 HB3 SER 23 1HB SER 23 -6.548 11.631 1.148 212 HG SER 23 HG SER 23 -8.210 13.308 1.570 213 H ASN 24 H ASN 24 -5.096 12.230 -1.302 214 HA ASN 24 HA ASN 24 -4.580 14.959 -1.736 215 HB2 ASN 24 2HB ASN 24 -2.973 15.173 0.296 216 HB3 ASN 24 1HB ASN 24 -4.693 15.458 0.540 217 HD21 ASN 24 1HD2 ASN 24 -2.371 12.770 0.575 218 HD22 ASN 24 2HD2 ASN 24 -3.016 12.009 1.985 219 H ARG 25 H ARG 25 -2.325 15.389 -2.209 220 HA ARG 25 HA ARG 25 -1.087 13.249 -3.572 221 HB2 ARG 25 2HB ARG 25 0.095 15.911 -2.760 222 HB3 ARG 25 1HB ARG 25 0.755 14.820 -3.970 223 HG2 ARG 25 2HG ARG 25 -1.984 15.405 -4.580 224 HG3 ARG 25 1HG ARG 25 -1.082 16.903 -4.346 225 HD2 ARG 25 2HD ARG 25 -0.829 16.424 -6.621 226 HD3 ARG 25 1HD ARG 25 0.676 15.872 -5.890 227 HE ARG 25 HE ARG 25 0.135 13.724 -6.472 228 HH11 ARG 25 1HH1 ARG 25 -2.708 15.727 -6.767 229 HH12 ARG 25 2HH1 ARG 25 -3.649 14.495 -7.538 230 HH21 ARG 25 1HH2 ARG 25 -1.101 12.103 -7.486 231 HH22 ARG 25 2HH2 ARG 25 -2.737 12.437 -7.946 232 H CYS 26 H CYS 26 -0.646 14.619 -0.384 233 HA CYS 26 HA CYS 26 0.581 13.969 1.417 234 HB2 CYS 26 2HB CYS 26 -0.573 11.802 0.923 235 HB3 CYS 26 1HB CYS 26 0.829 11.323 -0.028 236 HG CYS 26 HG CYS 26 1.018 10.340 2.392 237 H GLY 27 H GLY 27 1.945 15.340 -0.620 238 HA2 GLY 27 2HA GLY 27 4.328 15.870 -0.298 239 HA3 GLY 27 1HA GLY 27 4.636 14.142 -0.376 240 H LYS 28 H LYS 28 2.576 16.163 -2.437 241 HA LYS 28 HA LYS 28 2.572 16.556 -4.674 242 HB2 LYS 28 2HB LYS 28 5.486 16.282 -4.085 243 HB3 LYS 28 1HB LYS 28 4.972 16.324 -5.765 244 HG2 LYS 28 2HG LYS 28 3.610 18.438 -4.758 245 HG3 LYS 28 1HG LYS 28 5.066 18.463 -3.763 246 HD2 LYS 28 2HD LYS 28 6.469 18.721 -5.625 247 HD3 LYS 28 1HD LYS 28 5.209 18.218 -6.752 248 HE2 LYS 28 2HE LYS 28 4.768 20.648 -5.085 249 HE3 LYS 28 1HE LYS 28 5.852 20.754 -6.471 250 HZ1 LYS 28 3HZ LYS 28 3.161 19.590 -6.771 251 HZ2 LYS 28 1HZ LYS 28 4.148 20.305 -7.943 252 HZ3 LYS 28 2HZ LYS 28 3.370 21.268 -6.792 253 H TYR 29 H TYR 29 5.198 14.175 -4.726 254 HA TYR 29 HA TYR 29 3.366 12.225 -5.936 255 HB2 TYR 29 2HB TYR 29 4.724 13.526 -7.665 256 HB3 TYR 29 1HB TYR 29 6.140 12.704 -7.019 257 HD1 TYR 29 2HD TYR 29 2.785 12.029 -8.490 258 HD2 TYR 29 1HD TYR 29 6.743 10.610 -7.844 259 HE1 TYR 29 2HE TYR 29 2.329 10.109 -9.957 260 HE2 TYR 29 1HE TYR 29 6.299 8.686 -9.310 261 HH TYR 29 HH TYR 29 4.205 8.451 -11.455 262 H VAL 30 H VAL 30 3.375 10.578 -4.557 263 HA VAL 30 HA VAL 30 5.733 9.952 -2.991 264 HB VAL 30 HB VAL 30 3.310 8.205 -2.967 265 HG11 VAL 30 1HG1 VAL 30 3.852 8.187 -0.530 266 HG12 VAL 30 2HG1 VAL 30 5.263 9.182 -0.891 267 HG13 VAL 30 3HG1 VAL 30 5.133 7.557 -1.565 268 HG21 VAL 30 3HG2 VAL 30 2.312 9.769 -1.258 269 HG22 VAL 30 1HG2 VAL 30 2.241 10.323 -2.932 270 HG23 VAL 30 2HG2 VAL 30 3.449 10.991 -1.832 271 H ASP 31 H ASP 31 7.225 8.523 -3.554 272 HA ASP 31 HA ASP 31 6.804 6.841 -5.880 273 HB2 ASP 31 2HB ASP 31 9.011 8.168 -4.833 274 HB3 ASP 31 1HB ASP 31 9.341 6.472 -4.494 275 H THR 32 H THR 32 7.962 4.571 -5.640 276 HA THR 32 HA THR 32 6.320 2.986 -4.028 277 HB THR 32 HB THR 32 7.952 1.153 -4.551 278 HG1 THR 32 1HG THR 32 9.316 3.162 -6.005 279 HG21 THR 32 3HG2 THR 32 6.646 0.984 -6.332 280 HG22 THR 32 1HG2 THR 32 7.872 1.912 -7.196 281 HG23 THR 32 2HG2 THR 32 6.487 2.734 -6.478 282 H GLY 33 H GLY 33 9.820 3.586 -3.624 283 HA2 GLY 33 2HA GLY 33 9.977 2.400 -1.068 284 HA3 GLY 33 1HA GLY 33 11.156 3.505 -1.759 285 H ILE 34 H ILE 34 9.375 5.723 -2.087 286 HA ILE 34 HA ILE 34 9.597 6.878 0.494 287 HB ILE 34 HB ILE 34 7.980 7.925 -1.831 288 HG12 ILE 34 2HG1 ILE 34 10.901 8.361 -1.164 289 HG13 ILE 34 1HG1 ILE 34 10.284 7.434 -2.528 290 HG21 ILE 34 1HG2 ILE 34 9.247 9.330 0.518 291 HG22 ILE 34 2HG2 ILE 34 7.524 9.037 0.288 292 HG23 ILE 34 3HG2 ILE 34 8.390 10.111 -0.810 293 HD11 ILE 34 3HD1 ILE 34 10.309 9.277 -3.743 294 HD12 ILE 34 1HD1 ILE 34 10.819 10.222 -2.346 295 HD13 ILE 34 2HD1 ILE 34 9.102 9.985 -2.670 296 H LEU 35 H LEU 35 6.822 5.763 -1.422 297 HA LEU 35 HA LEU 35 4.800 6.521 0.353 298 HB2 LEU 35 2HB LEU 35 4.503 5.728 -2.006 299 HB3 LEU 35 1HB LEU 35 4.789 4.094 -1.439 300 HG LEU 35 HG LEU 35 2.794 4.246 -0.004 301 HD11 LEU 35 1HD1 LEU 35 1.242 6.124 -0.295 302 HD12 LEU 35 2HD1 LEU 35 2.437 6.943 -1.300 303 HD13 LEU 35 3HD1 LEU 35 2.779 6.634 0.403 304 HD21 LEU 35 3HD2 LEU 35 1.425 3.609 -1.677 305 HD22 LEU 35 1HD2 LEU 35 2.886 3.756 -2.654 306 HD23 LEU 35 2HD2 LEU 35 1.714 5.073 -2.615 307 H ALA 36 H ALA 36 6.743 3.575 0.193 308 HA ALA 36 HA ALA 36 5.389 2.043 2.084 309 HB1 ALA 36 1HB ALA 36 7.096 0.583 1.879 310 HB2 ALA 36 2HB ALA 36 8.329 1.825 2.098 311 HB3 ALA 36 3HB ALA 36 7.545 1.626 0.531 312 H SER 37 H SER 37 8.125 4.270 2.562 313 HA SER 37 HA SER 37 8.379 3.936 5.325 314 HB2 SER 37 2HB SER 37 8.912 6.516 3.846 315 HB3 SER 37 1HB SER 37 9.697 5.930 5.312 316 HG SER 37 HG SER 37 10.397 4.109 3.919 317 H ASP 38 H ASP 38 6.453 6.266 3.468 318 HA ASP 38 HA ASP 38 5.427 7.645 5.715 319 HB2 ASP 38 2HB ASP 38 5.435 8.563 3.409 320 HB3 ASP 38 1HB ASP 38 4.206 7.385 2.958 321 H LEU 39 H LEU 39 4.076 5.053 3.690 322 HA LEU 39 HA LEU 39 1.611 4.826 4.993 323 HB2 LEU 39 2HB LEU 39 2.724 3.659 2.829 324 HB3 LEU 39 1HB LEU 39 2.842 2.338 3.975 325 HG LEU 39 HG LEU 39 0.409 2.458 4.354 326 HD11 LEU 39 1HD1 LEU 39 0.711 4.852 2.665 327 HD12 LEU 39 2HD1 LEU 39 -0.456 4.496 3.937 328 HD13 LEU 39 3HD1 LEU 39 -0.687 3.835 2.318 329 HD21 LEU 39 3HD2 LEU 39 0.620 2.292 1.407 330 HD22 LEU 39 1HD2 LEU 39 -0.067 1.152 2.563 331 HD23 LEU 39 2HD2 LEU 39 1.681 1.241 2.346 332 H GLN 40 H GLN 40 4.716 3.254 5.632 333 HA GLN 40 HA GLN 40 3.706 1.615 7.745 334 HB2 GLN 40 2HB GLN 40 5.928 1.498 6.236 335 HB3 GLN 40 1HB GLN 40 6.594 2.281 7.662 336 HG2 GLN 40 2HG GLN 40 4.985 0.115 8.529 337 HG3 GLN 40 1HG GLN 40 6.037 -0.465 7.238 338 HE21 GLN 40 1HE2 GLN 40 6.364 1.816 9.941 339 HE22 GLN 40 2HE2 GLN 40 7.822 1.132 10.566 340 H ARG 41 H ARG 41 5.335 4.737 7.568 341 HA ARG 41 HA ARG 41 5.912 5.086 10.276 342 HB2 ARG 41 2HB ARG 41 6.715 6.535 8.402 343 HB3 ARG 41 1HB ARG 41 5.110 7.252 8.328 344 HG2 ARG 41 2HG ARG 41 5.416 8.474 10.207 345 HG3 ARG 41 1HG ARG 41 6.445 7.257 10.964 346 HD2 ARG 41 2HD ARG 41 8.069 7.968 8.982 347 HD3 ARG 41 1HD ARG 41 7.149 9.467 9.112 348 HE ARG 41 HE ARG 41 9.091 8.463 10.965 349 HH11 ARG 41 1HH1 ARG 41 6.256 10.470 10.633 350 HH12 ARG 41 2HH1 ARG 41 6.623 11.436 12.023 351 HH21 ARG 41 1HH2 ARG 41 9.577 9.733 12.793 352 HH22 ARG 41 2HH2 ARG 41 8.509 11.019 13.249 353 H LEU 42 H LEU 42 2.992 5.943 8.446 354 HA LEU 42 HA LEU 42 1.660 6.978 10.772 355 HB2 LEU 42 2HB LEU 42 -0.331 7.073 9.265 356 HB3 LEU 42 1HB LEU 42 1.068 7.959 8.693 357 HG LEU 42 HG LEU 42 1.485 5.652 7.394 358 HD11 LEU 42 1HD1 LEU 42 -0.273 4.307 7.833 359 HD12 LEU 42 2HD1 LEU 42 -0.999 5.231 6.519 360 HD13 LEU 42 3HD1 LEU 42 -1.357 5.650 8.195 361 HD21 LEU 42 3HD2 LEU 42 -0.307 7.932 6.585 362 HD22 LEU 42 1HD2 LEU 42 0.286 6.703 5.468 363 HD23 LEU 42 2HD2 LEU 42 1.424 7.768 6.293 364 H TYR 43 H TYR 43 1.670 3.948 8.984 365 HA TYR 43 HA TYR 43 -0.223 2.838 10.948 366 HB2 TYR 43 2HB TYR 43 0.306 2.216 8.071 367 HB3 TYR 43 1HB TYR 43 -0.265 0.927 9.123 368 HD1 TYR 43 1HD TYR 43 -2.118 2.467 10.881 369 HD2 TYR 43 2HD TYR 43 -1.522 2.608 6.671 370 HE1 TYR 43 1HE TYR 43 -4.428 3.255 10.586 371 HE2 TYR 43 2HE TYR 43 -3.831 3.397 6.365 372 HH TYR 43 HH TYR 43 -5.552 4.723 7.980 373 H SER 44 H SER 44 2.326 3.146 11.833 374 HA SER 44 HA SER 44 4.081 1.006 11.355 375 HB2 SER 44 2HB SER 44 5.059 1.645 13.596 376 HB3 SER 44 1HB SER 44 4.919 2.972 12.443 377 HG SER 44 HG SER 44 4.147 3.290 14.716 378 H VAL 45 H VAL 45 1.685 1.482 13.943 379 HA VAL 45 HA VAL 45 2.128 -1.035 15.167 380 HB VAL 45 HB VAL 45 -0.020 -0.629 16.333 381 HG11 VAL 45 1HG1 VAL 45 1.767 1.800 16.243 382 HG12 VAL 45 2HG1 VAL 45 2.097 0.328 17.158 383 HG13 VAL 45 3HG1 VAL 45 0.701 1.325 17.566 384 HG21 VAL 45 3HG2 VAL 45 -0.781 1.904 15.794 385 HG22 VAL 45 1HG2 VAL 45 -1.527 0.479 15.071 386 HG23 VAL 45 2HG2 VAL 45 -0.290 1.371 14.186 387 H ASP 46 H ASP 46 -0.013 0.071 12.618 388 HA ASP 46 HA ASP 46 -1.534 -2.373 12.548 389 HB2 ASP 46 2HB ASP 46 -1.539 0.205 11.088 390 HB3 ASP 46 1HB ASP 46 -2.131 -1.191 10.193 391 H TYR 47 H TYR 47 0.310 -0.813 9.931 392 HA TYR 47 HA TYR 47 0.727 -3.278 8.573 393 HB2 TYR 47 2HB TYR 47 1.681 -0.464 8.199 394 HB3 TYR 47 1HB TYR 47 2.450 -1.764 7.294 395 HD1 TYR 47 2HD TYR 47 0.254 -3.522 6.604 396 HD2 TYR 47 1HD TYR 47 0.359 0.729 6.720 397 HE1 TYR 47 2HE TYR 47 -1.556 -3.439 4.942 398 HE2 TYR 47 1HE TYR 47 -1.452 0.824 5.058 399 HH TYR 47 HH TYR 47 -2.502 -1.949 3.321 400 H GLY 48 H GLY 48 2.956 -1.094 10.303 401 HA2 GLY 48 2HA GLY 48 5.251 -2.670 10.054 402 HA3 GLY 48 1HA GLY 48 4.967 -1.499 11.332 403 H ARG 49 H ARG 49 6.279 -4.131 11.419 404 HA ARG 49 HA ARG 49 5.232 -5.035 13.874 405 HB2 ARG 49 2HB ARG 49 3.477 -5.939 12.346 406 HB3 ARG 49 1HB ARG 49 4.717 -6.896 11.549 407 HG2 ARG 49 2HG ARG 49 3.847 -8.433 12.999 408 HG3 ARG 49 1HG ARG 49 5.171 -7.780 13.968 409 HD2 ARG 49 2HD ARG 49 2.960 -6.115 14.441 410 HD3 ARG 49 1HD ARG 49 2.346 -7.766 14.492 411 HE ARG 49 HE ARG 49 4.749 -7.458 16.002 412 HH11 ARG 49 1HH1 ARG 49 1.295 -6.968 16.089 413 HH12 ARG 49 2HH1 ARG 49 1.198 -7.063 17.815 414 HH21 ARG 49 1HH2 ARG 49 4.624 -7.583 18.272 415 HH22 ARG 49 2HH2 ARG 49 3.089 -7.412 19.055 416 H ARG 50 H ARG 50 6.666 -6.702 11.064 417 HA ARG 50 HA ARG 50 9.201 -6.906 12.497 418 HB2 ARG 50 2HB ARG 50 7.393 -9.168 11.866 419 HB3 ARG 50 1HB ARG 50 9.101 -9.420 11.531 420 HG2 ARG 50 2HG ARG 50 9.557 -8.697 13.898 421 HG3 ARG 50 1HG ARG 50 7.815 -8.774 14.168 422 HD2 ARG 50 2HD ARG 50 8.286 -11.181 12.994 423 HD3 ARG 50 1HD ARG 50 9.785 -10.933 13.887 424 HE ARG 50 HE ARG 50 7.169 -11.443 14.981 425 HH11 ARG 50 1HH1 ARG 50 10.352 -10.160 15.613 426 HH12 ARG 50 2HH1 ARG 50 10.241 -10.390 17.326 427 HH21 ARG 50 1HH2 ARG 50 7.022 -11.747 17.233 428 HH22 ARG 50 2HH2 ARG 50 8.351 -11.293 18.245 429 H LYS 51 H LYS 51 7.828 -8.502 9.630 430 HA LYS 51 HA LYS 51 10.112 -8.178 8.047 431 HB2 LYS 51 2HB LYS 51 8.597 -8.704 6.133 432 HB3 LYS 51 1HB LYS 51 8.492 -9.845 7.465 433 HG2 LYS 51 2HG LYS 51 6.465 -8.603 8.253 434 HG3 LYS 51 1HG LYS 51 6.533 -7.676 6.755 435 HD2 LYS 51 2HD LYS 51 6.524 -9.941 5.567 436 HD3 LYS 51 1HD LYS 51 6.029 -10.614 7.122 437 HE2 LYS 51 2HE LYS 51 4.167 -10.037 5.507 438 HE3 LYS 51 1HE LYS 51 4.025 -9.371 7.133 439 HZ1 LYS 51 3HZ LYS 51 3.585 -7.843 5.144 440 HZ2 LYS 51 1HZ LYS 51 5.267 -7.800 4.968 441 HZ3 LYS 51 2HZ LYS 51 4.551 -7.254 6.399 442 H ARG 52 H ARG 52 10.810 -6.029 8.201 443 HA ARG 52 HA ARG 52 9.190 -3.798 7.565 444 HB2 ARG 52 2HB ARG 52 12.081 -4.291 8.005 445 HB3 ARG 52 1HB ARG 52 11.660 -2.849 7.093 446 HG2 ARG 52 2HG ARG 52 9.937 -2.718 9.213 447 HG3 ARG 52 1HG ARG 52 11.384 -3.417 9.939 448 HD2 ARG 52 2HD ARG 52 12.686 -1.556 8.835 449 HD3 ARG 52 1HD ARG 52 11.135 -0.817 8.443 450 HE ARG 52 HE ARG 52 10.910 -0.186 10.636 451 HH11 ARG 52 1HH1 ARG 52 13.492 -2.521 10.380 452 HH12 ARG 52 2HH1 ARG 52 14.031 -2.288 12.009 453 HH21 ARG 52 1HH2 ARG 52 11.617 0.118 12.780 454 HH22 ARG 52 2HH2 ARG 52 12.965 -0.792 13.372 455 H ASN 53 H ASN 53 11.711 -5.470 5.680 456 HA ASN 53 HA ASN 53 11.445 -3.975 3.339 457 HB2 ASN 53 2HB ASN 53 12.431 -6.033 2.221 458 HB3 ASN 53 1HB ASN 53 13.358 -5.366 3.561 459 HD21 ASN 53 1HD2 ASN 53 13.672 -6.563 5.369 460 HD22 ASN 53 2HD2 ASN 53 13.146 -8.200 5.543 461 H ALA 54 H ALA 54 9.702 -6.841 4.435 462 HA ALA 54 HA ALA 54 8.383 -7.555 2.112 463 HB1 ALA 54 1HB ALA 54 8.282 -8.895 4.129 464 HB2 ALA 54 2HB ALA 54 6.654 -8.523 3.562 465 HB3 ALA 54 3HB ALA 54 7.332 -7.648 4.936 466 H PHE 55 H PHE 55 7.487 -5.081 4.488 467 HA PHE 55 HA PHE 55 4.992 -4.405 3.420 468 HB2 PHE 55 2HB PHE 55 5.865 -3.648 5.633 469 HB3 PHE 55 1HB PHE 55 6.934 -2.532 4.788 470 HD1 PHE 55 2HD PHE 55 3.316 -3.447 4.593 471 HD2 PHE 55 1HD PHE 55 6.232 -0.358 4.862 472 HE1 PHE 55 2HE PHE 55 1.526 -1.760 4.567 473 HE2 PHE 55 1HE PHE 55 4.446 1.334 4.837 474 HZ PHE 55 HZ PHE 55 2.090 0.634 4.689 475 H ARG 56 H ARG 56 8.233 -3.218 2.649 476 HA ARG 56 HA ARG 56 7.486 -1.163 0.897 477 HB2 ARG 56 2HB ARG 56 9.868 -2.175 1.845 478 HB3 ARG 56 1HB ARG 56 9.935 -2.583 0.136 479 HG2 ARG 56 2HG ARG 56 9.574 -0.251 -0.453 480 HG3 ARG 56 1HG ARG 56 9.460 0.171 1.257 481 HD2 ARG 56 2HD ARG 56 11.832 -1.134 1.210 482 HD3 ARG 56 1HD ARG 56 11.820 -0.416 -0.400 483 HE ARG 56 HE ARG 56 11.142 1.655 1.197 484 HH11 ARG 56 1HH1 ARG 56 13.769 -0.642 1.264 485 HH12 ARG 56 2HH1 ARG 56 14.880 0.460 2.007 486 HH21 ARG 56 1HH2 ARG 56 12.601 3.105 2.174 487 HH22 ARG 56 2HH2 ARG 56 14.217 2.587 2.525 488 H ILE 57 H ILE 57 8.156 -4.591 0.308 489 HA ILE 57 HA ILE 57 7.893 -4.522 -2.493 490 HB ILE 57 HB ILE 57 7.276 -6.850 -0.670 491 HG12 ILE 57 2HG1 ILE 57 9.895 -6.534 -2.065 492 HG13 ILE 57 1HG1 ILE 57 9.614 -5.584 -0.611 493 HG21 ILE 57 1HG2 ILE 57 7.331 -6.512 -3.558 494 HG22 ILE 57 2HG2 ILE 57 6.672 -7.825 -2.584 495 HG23 ILE 57 3HG2 ILE 57 8.385 -7.812 -3.003 496 HD11 ILE 57 3HD1 ILE 57 8.811 -8.127 0.100 497 HD12 ILE 57 1HD1 ILE 57 10.337 -7.348 0.518 498 HD13 ILE 57 2HD1 ILE 57 10.239 -8.389 -0.902 499 H GLN 58 H GLN 58 5.531 -5.058 0.088 500 HA GLN 58 HA GLN 58 3.354 -5.771 -1.528 501 HB2 GLN 58 2HB GLN 58 3.675 -4.680 1.226 502 HB3 GLN 58 1HB GLN 58 2.074 -4.614 0.500 503 HG2 GLN 58 2HG GLN 58 1.856 -6.903 0.441 504 HG3 GLN 58 1HG GLN 58 3.597 -7.176 0.466 505 HE21 GLN 58 1HE2 GLN 58 1.000 -7.734 2.199 506 HE22 GLN 58 2HE2 GLN 58 1.617 -7.579 3.805 507 H VAL 59 H VAL 59 4.414 -2.596 -0.342 508 HA VAL 59 HA VAL 59 2.313 -1.189 -1.690 509 HB VAL 59 HB VAL 59 3.342 -0.260 0.331 510 HG11 VAL 59 1HG1 VAL 59 5.590 -0.921 0.229 511 HG12 VAL 59 2HG1 VAL 59 5.626 0.832 0.036 512 HG13 VAL 59 3HG1 VAL 59 5.815 -0.213 -1.371 513 HG21 VAL 59 3HG2 VAL 59 3.830 2.050 -0.594 514 HG22 VAL 59 1HG2 VAL 59 2.278 1.340 -1.037 515 HG23 VAL 59 2HG2 VAL 59 3.606 1.347 -2.197 516 H GLU 60 H GLU 60 5.587 -2.141 -2.436 517 HA GLU 60 HA GLU 60 6.136 -0.427 -4.572 518 HB2 GLU 60 2HB GLU 60 7.086 -3.125 -3.734 519 HB3 GLU 60 1HB GLU 60 7.470 -2.592 -5.365 520 HG2 GLU 60 2HG GLU 60 8.666 -0.706 -4.553 521 HG3 GLU 60 1HG GLU 60 8.099 -0.980 -2.907 522 H LYS 61 H LYS 61 4.671 -3.669 -4.588 523 HA LYS 61 HA LYS 61 4.126 -3.602 -7.398 524 HB2 LYS 61 2HB LYS 61 3.687 -5.476 -5.159 525 HB3 LYS 61 1HB LYS 61 2.502 -5.567 -6.455 526 HG2 LYS 61 2HG LYS 61 4.325 -7.151 -6.782 527 HG3 LYS 61 1HG LYS 61 4.270 -5.951 -8.074 528 HD2 LYS 61 2HD LYS 61 6.238 -4.995 -7.455 529 HD3 LYS 61 1HD LYS 61 5.985 -5.331 -5.741 530 HE2 LYS 61 2HE LYS 61 6.924 -7.400 -5.867 531 HE3 LYS 61 1HE LYS 61 6.400 -7.655 -7.531 532 HZ1 LYS 61 3HZ LYS 61 8.262 -6.725 -8.354 533 HZ2 LYS 61 1HZ LYS 61 8.914 -7.155 -6.852 534 HZ3 LYS 61 2HZ LYS 61 8.384 -5.571 -7.122 535 H VAL 62 H VAL 62 2.372 -2.828 -4.470 536 HA VAL 62 HA VAL 62 -0.201 -2.641 -5.660 537 HB VAL 62 HB VAL 62 0.962 -1.679 -3.066 538 HG11 VAL 62 1HG1 VAL 62 -0.472 0.101 -3.333 539 HG12 VAL 62 2HG1 VAL 62 -1.539 -1.078 -2.570 540 HG13 VAL 62 3HG1 VAL 62 -1.610 -0.824 -4.314 541 HG21 VAL 62 3HG2 VAL 62 -1.469 -3.200 -2.916 542 HG22 VAL 62 1HG2 VAL 62 0.134 -3.589 -2.292 543 HG23 VAL 62 2HG2 VAL 62 -0.299 -4.023 -3.947 544 H PHE 63 H PHE 63 2.484 -0.429 -5.298 545 HA PHE 63 HA PHE 63 1.074 1.957 -5.882 546 HB2 PHE 63 2HB PHE 63 3.332 1.867 -4.827 547 HB3 PHE 63 1HB PHE 63 3.998 1.362 -6.376 548 HD1 PHE 63 2HD PHE 63 2.304 4.128 -4.612 549 HD2 PHE 63 1HD PHE 63 4.482 2.929 -8.067 550 HE1 PHE 63 2HE PHE 63 2.566 6.486 -5.260 551 HE2 PHE 63 1HE PHE 63 4.749 5.286 -8.721 552 HZ PHE 63 HZ PHE 63 3.790 7.068 -7.317 553 H SER 64 H SER 64 2.756 -0.408 -7.890 554 HA SER 64 HA SER 64 2.443 1.079 -10.313 555 HB2 SER 64 2HB SER 64 4.171 -0.792 -9.719 556 HB3 SER 64 1HB SER 64 2.898 -1.886 -10.260 557 HG SER 64 HG SER 64 3.886 0.283 -11.799 558 H ILE 65 H ILE 65 0.670 -1.507 -8.714 559 HA ILE 65 HA ILE 65 -1.074 -2.028 -10.906 560 HB ILE 65 HB ILE 65 -0.539 -3.606 -8.993 561 HG12 ILE 65 2HG1 ILE 65 -3.495 -3.267 -9.477 562 HG13 ILE 65 1HG1 ILE 65 -2.398 -3.826 -10.735 563 HG21 ILE 65 1HG2 ILE 65 -1.037 -1.917 -7.215 564 HG22 ILE 65 2HG2 ILE 65 -1.785 -3.494 -6.976 565 HG23 ILE 65 3HG2 ILE 65 -2.747 -2.140 -7.572 566 HD11 ILE 65 3HD1 ILE 65 -2.466 -5.205 -8.090 567 HD12 ILE 65 1HD1 ILE 65 -1.993 -5.830 -9.671 568 HD13 ILE 65 2HD1 ILE 65 -3.696 -5.545 -9.309 569 H ILE 66 H ILE 66 -1.417 -0.101 -7.927 570 HA ILE 66 HA ILE 66 -4.090 0.589 -8.169 571 HB ILE 66 HB ILE 66 -3.557 2.645 -6.909 572 HG12 ILE 66 2HG1 ILE 66 -0.688 1.753 -7.261 573 HG13 ILE 66 1HG1 ILE 66 -1.418 3.176 -7.995 574 HG21 ILE 66 1HG2 ILE 66 -3.867 1.034 -5.361 575 HG22 ILE 66 2HG2 ILE 66 -2.142 1.275 -5.082 576 HG23 ILE 66 3HG2 ILE 66 -2.694 -0.054 -6.102 577 HD11 ILE 66 3HD1 ILE 66 -1.907 3.907 -5.586 578 HD12 ILE 66 1HD1 ILE 66 -0.252 4.022 -6.183 579 HD13 ILE 66 2HD1 ILE 66 -0.720 2.685 -5.132 580 H SER 67 H SER 67 -1.284 1.908 -9.817 581 HA SER 67 HA SER 67 -2.685 4.109 -10.990 582 HB2 SER 67 2HB SER 67 -0.124 2.946 -12.060 583 HB3 SER 67 1HB SER 67 -0.666 4.623 -12.085 584 HG SER 67 HG SER 67 0.625 3.212 -10.106 585 H SER 68 H SER 68 -1.615 0.933 -12.159 586 HA SER 68 HA SER 68 -2.661 1.316 -14.787 587 HB2 SER 68 2HB SER 68 -1.373 -0.900 -13.290 588 HB3 SER 68 1HB SER 68 -2.377 -1.351 -14.668 589 HG SER 68 HG SER 68 -0.929 -0.555 -15.975 590 H GLU 69 H GLU 69 -3.747 -0.636 -12.008 591 HA GLU 69 HA GLU 69 -6.056 -1.640 -13.256 592 HB2 GLU 69 2HB GLU 69 -4.932 -1.616 -10.559 593 HB3 GLU 69 1HB GLU 69 -6.689 -1.611 -10.575 594 HG2 GLU 69 2HG GLU 69 -6.089 -3.525 -12.435 595 HG3 GLU 69 1HG GLU 69 -4.810 -3.735 -11.241 596 H LYS 70 H LYS 70 -5.662 1.114 -11.027 597 HA LYS 70 HA LYS 70 -8.432 1.847 -11.261 598 HB2 LYS 70 2HB LYS 70 -6.239 3.577 -10.137 599 HB3 LYS 70 1HB LYS 70 -7.952 3.605 -9.748 600 HG2 LYS 70 2HG LYS 70 -6.076 1.344 -9.094 601 HG3 LYS 70 1HG LYS 70 -6.583 2.605 -7.969 602 HD2 LYS 70 2HD LYS 70 -8.899 1.465 -9.193 603 HD3 LYS 70 1HD LYS 70 -7.883 0.165 -8.570 604 HE2 LYS 70 2HE LYS 70 -9.368 0.790 -6.824 605 HE3 LYS 70 1HE LYS 70 -7.776 1.417 -6.400 606 HZ1 LYS 70 3HZ LYS 70 -10.012 2.868 -6.346 607 HZ2 LYS 70 1HZ LYS 70 -9.465 3.229 -7.905 608 HZ3 LYS 70 2HZ LYS 70 -8.472 3.531 -6.570 609 H GLU 71 H GLU 71 -5.377 3.021 -12.596 610 HA GLU 71 HA GLU 71 -4.914 4.431 -14.323 611 HB2 GLU 71 2HB GLU 71 -7.757 3.706 -15.023 612 HB3 GLU 71 1HB GLU 71 -6.766 4.743 -16.040 613 HG2 GLU 71 2HG GLU 71 -5.905 2.959 -17.011 614 HG3 GLU 71 1HG GLU 71 -5.242 2.439 -15.463 615 H LEU 72 H LEU 72 -5.430 6.597 -15.245 616 HA LEU 72 HA LEU 72 -6.216 8.367 -13.144 617 HB2 LEU 72 2HB LEU 72 -4.562 8.590 -15.282 618 HB3 LEU 72 1HB LEU 72 -5.969 9.450 -15.877 619 HG LEU 72 HG LEU 72 -5.061 10.197 -13.164 620 HD11 LEU 72 1HD1 LEU 72 -3.425 10.714 -15.631 621 HD12 LEU 72 2HD1 LEU 72 -2.900 10.023 -14.097 622 HD13 LEU 72 3HD1 LEU 72 -3.335 11.729 -14.192 623 HD21 LEU 72 3HD2 LEU 72 -6.875 11.182 -14.891 624 HD22 LEU 72 1HD2 LEU 72 -5.477 12.170 -15.313 625 HD23 LEU 72 2HD2 LEU 72 -6.075 12.151 -13.653 626 H LYS 73 H LYS 73 -8.377 8.020 -12.686 627 HA LYS 73 HA LYS 73 -10.447 7.845 -14.566 628 HB2 LYS 73 2HB LYS 73 -10.307 7.516 -11.895 629 HB3 LYS 73 1HB LYS 73 -11.067 9.100 -11.954 630 HG2 LYS 73 2HG LYS 73 -13.025 8.267 -12.636 631 HG3 LYS 73 1HG LYS 73 -12.264 7.151 -13.772 632 HD2 LYS 73 2HD LYS 73 -11.932 5.519 -12.122 633 HD3 LYS 73 1HD LYS 73 -12.183 6.672 -10.809 634 HE2 LYS 73 2HE LYS 73 -14.548 6.791 -12.220 635 HE3 LYS 73 1HE LYS 73 -14.116 5.084 -12.301 636 HZ1 LYS 73 3HZ LYS 73 -13.998 6.504 -9.725 637 HZ2 LYS 73 1HZ LYS 73 -14.233 4.856 -10.027 638 HZ3 LYS 73 2HZ LYS 73 -15.486 5.956 -10.313 639 H ASN 74 H ASN 74 -12.186 9.421 -14.928 640 HA ASN 74 HA ASN 74 -11.063 12.005 -15.592 641 HB2 ASN 74 2HB ASN 74 -13.204 12.392 -16.744 642 HB3 ASN 74 1HB ASN 74 -12.483 10.858 -17.223 643 HD21 ASN 74 1HD2 ASN 74 -13.434 8.936 -16.572 644 HD22 ASN 74 2HD2 ASN 74 -15.048 8.870 -15.957 Start of MODEL 13 1 H MET 1 H MET 1 -12.811 -13.121 -19.148 2 HA MET 1 HA MET 1 -13.806 -10.886 -17.546 3 HB2 MET 1 2HB MET 1 -15.147 -13.054 -19.178 4 HB3 MET 1 1HB MET 1 -15.942 -11.676 -18.430 5 HG2 MET 1 2HG MET 1 -13.905 -10.614 -20.034 6 HG3 MET 1 1HG MET 1 -14.672 -11.881 -20.990 7 HE1 MET 1 2HE MET 1 -14.329 -8.642 -20.119 8 HE2 MET 1 3HE MET 1 -15.848 -7.940 -19.562 9 HE3 MET 1 1HE MET 1 -15.459 -7.948 -21.282 10 H LYS 2 H LYS 2 -12.396 -12.318 -15.877 11 HA LYS 2 HA LYS 2 -14.233 -14.272 -14.664 12 HB2 LYS 2 2HB LYS 2 -12.271 -15.197 -13.514 13 HB3 LYS 2 1HB LYS 2 -12.070 -15.229 -15.261 14 HG2 LYS 2 2HG LYS 2 -10.958 -12.818 -14.577 15 HG3 LYS 2 1HG LYS 2 -10.516 -13.852 -13.217 16 HD2 LYS 2 2HD LYS 2 -8.764 -14.264 -14.643 17 HD3 LYS 2 1HD LYS 2 -9.880 -15.542 -15.130 18 HE2 LYS 2 2HE LYS 2 -8.970 -14.447 -17.088 19 HE3 LYS 2 1HE LYS 2 -10.694 -14.107 -16.954 20 HZ1 LYS 2 3HZ LYS 2 -10.327 -11.930 -16.582 21 HZ2 LYS 2 1HZ LYS 2 -8.872 -12.234 -17.391 22 HZ3 LYS 2 2HZ LYS 2 -8.907 -12.187 -15.701 23 HA PRO 3 HA PRO 3 -15.093 -11.544 -11.300 24 HB2 PRO 3 2HB PRO 3 -14.809 -13.958 -9.583 25 HB3 PRO 3 1HB PRO 3 -16.154 -12.820 -9.711 26 HG2 PRO 3 2HG PRO 3 -16.318 -15.245 -10.797 27 HG3 PRO 3 1HG PRO 3 -17.002 -13.829 -11.617 28 HD2 PRO 3 2HD PRO 3 -14.482 -15.326 -12.197 29 HD3 PRO 3 1HD PRO 3 -15.634 -14.572 -13.320 30 H ARG 4 H ARG 4 -14.278 -11.520 -8.773 31 HA ARG 4 HA ARG 4 -11.514 -12.126 -8.413 32 HB2 ARG 4 2HB ARG 4 -10.829 -9.695 -8.158 33 HB3 ARG 4 1HB ARG 4 -11.061 -10.268 -9.804 34 HG2 ARG 4 2HG ARG 4 -12.906 -8.980 -10.145 35 HG3 ARG 4 1HG ARG 4 -13.371 -9.000 -8.443 36 HD2 ARG 4 2HD ARG 4 -10.934 -7.684 -8.458 37 HD3 ARG 4 1HD ARG 4 -11.745 -7.091 -9.907 38 HE ARG 4 HE ARG 4 -13.434 -7.064 -7.595 39 HH11 ARG 4 1HH1 ARG 4 -10.956 -5.306 -9.311 40 HH12 ARG 4 2HH1 ARG 4 -11.420 -3.769 -8.661 41 HH21 ARG 4 1HH2 ARG 4 -14.048 -5.044 -6.741 42 HH22 ARG 4 2HH2 ARG 4 -13.176 -3.621 -7.203 43 HA PRO 5 HA PRO 5 -13.605 -11.886 -4.401 44 HB2 PRO 5 2HB PRO 5 -11.639 -13.175 -3.019 45 HB3 PRO 5 1HB PRO 5 -12.879 -14.015 -3.956 46 HG2 PRO 5 2HG PRO 5 -10.057 -13.359 -4.706 47 HG3 PRO 5 1HG PRO 5 -10.966 -14.860 -4.970 48 HD2 PRO 5 2HD PRO 5 -10.595 -13.042 -6.928 49 HD3 PRO 5 1HD PRO 5 -12.078 -14.011 -6.808 50 H GLY 6 H GLY 6 -13.552 -10.147 -3.135 51 HA2 GLY 6 2HA GLY 6 -11.306 -8.366 -3.146 52 HA3 GLY 6 1HA GLY 6 -12.793 -8.161 -2.235 53 H VAL 7 H VAL 7 -9.839 -10.148 -2.275 54 HA VAL 7 HA VAL 7 -9.726 -9.853 0.648 55 HB VAL 7 HB VAL 7 -9.082 -12.420 -0.813 56 HG11 VAL 7 1HG1 VAL 7 -7.789 -11.922 1.270 57 HG12 VAL 7 2HG1 VAL 7 -8.766 -13.388 1.346 58 HG13 VAL 7 3HG1 VAL 7 -9.318 -11.918 2.148 59 HG21 VAL 7 3HG2 VAL 7 -11.431 -11.845 0.987 60 HG22 VAL 7 1HG2 VAL 7 -11.093 -13.341 0.117 61 HG23 VAL 7 2HG2 VAL 7 -11.510 -11.877 -0.774 62 H PHE 8 H PHE 8 -7.706 -11.512 -1.774 63 HA PHE 8 HA PHE 8 -5.498 -11.342 -2.284 64 HB2 PHE 8 2HB PHE 8 -6.558 -8.742 -2.365 65 HB3 PHE 8 1HB PHE 8 -5.024 -8.596 -1.515 66 HD1 PHE 8 2HD PHE 8 -2.935 -9.396 -2.619 67 HD2 PHE 8 1HD PHE 8 -6.641 -9.099 -4.689 68 HE1 PHE 8 2HE PHE 8 -1.736 -9.460 -4.767 69 HE2 PHE 8 1HE PHE 8 -5.449 -9.164 -6.841 70 HZ PHE 8 HZ PHE 8 -2.994 -9.344 -6.881 71 H VAL 9 H VAL 9 -3.310 -10.935 -1.387 72 HA VAL 9 HA VAL 9 -3.137 -11.849 1.279 73 HB VAL 9 HB VAL 9 -0.923 -10.547 -0.305 74 HG11 VAL 9 1HG1 VAL 9 -1.081 -12.085 2.205 75 HG12 VAL 9 2HG1 VAL 9 0.079 -10.859 1.693 76 HG13 VAL 9 3HG1 VAL 9 0.235 -12.517 1.113 77 HG21 VAL 9 3HG2 VAL 9 -2.270 -13.151 -0.627 78 HG22 VAL 9 1HG2 VAL 9 -0.506 -13.183 -0.654 79 HG23 VAL 9 2HG2 VAL 9 -1.388 -12.175 -1.801 80 H ASP 10 H ASP 10 -3.099 -8.672 -0.151 81 HA ASP 10 HA ASP 10 -3.413 -7.443 2.426 82 HB2 ASP 10 2HB ASP 10 -0.823 -7.756 1.738 83 HB3 ASP 10 1HB ASP 10 -1.157 -6.226 0.935 84 H ARG 11 H ARG 11 -5.284 -7.433 0.611 85 HA ARG 11 HA ARG 11 -5.242 -5.569 -1.451 86 HB2 ARG 11 2HB ARG 11 -7.031 -7.265 -1.036 87 HB3 ARG 11 1HB ARG 11 -7.624 -6.256 0.277 88 HG2 ARG 11 2HG ARG 11 -7.315 -4.949 -2.353 89 HG3 ARG 11 1HG ARG 11 -8.597 -6.153 -2.207 90 HD2 ARG 11 2HD ARG 11 -8.207 -3.719 -0.470 91 HD3 ARG 11 1HD ARG 11 -9.458 -3.947 -1.690 92 HE ARG 11 HE ARG 11 -9.747 -6.044 0.064 93 HH11 ARG 11 1HH1 ARG 11 -9.830 -2.561 0.274 94 HH12 ARG 11 2HH1 ARG 11 -10.946 -2.543 1.598 95 HH21 ARG 11 1HH2 ARG 11 -11.215 -6.022 1.806 96 HH22 ARG 11 2HH2 ARG 11 -11.732 -4.508 2.469 97 H LYS 12 H LYS 12 -5.651 -5.115 1.989 98 HA LYS 12 HA LYS 12 -6.784 -2.578 2.055 99 HB2 LYS 12 2HB LYS 12 -4.984 -4.100 3.887 100 HB3 LYS 12 1HB LYS 12 -5.262 -2.394 4.210 101 HG2 LYS 12 2HG LYS 12 -7.511 -2.708 4.649 102 HG3 LYS 12 1HG LYS 12 -7.572 -4.238 3.771 103 HD2 LYS 12 2HD LYS 12 -7.025 -5.411 5.593 104 HD3 LYS 12 1HD LYS 12 -5.695 -4.319 5.986 105 HE2 LYS 12 2HE LYS 12 -8.366 -3.207 6.460 106 HE3 LYS 12 1HE LYS 12 -7.971 -4.606 7.456 107 HZ1 LYS 12 3HZ LYS 12 -6.324 -2.146 7.214 108 HZ2 LYS 12 1HZ LYS 12 -5.967 -3.483 8.187 109 HZ3 LYS 12 2HZ LYS 12 -7.326 -2.532 8.521 110 H LEU 13 H LEU 13 -3.468 -3.559 1.465 111 HA LEU 13 HA LEU 13 -2.177 -1.108 1.758 112 HB2 LEU 13 2HB LEU 13 -1.360 -3.583 1.132 113 HB3 LEU 13 1HB LEU 13 -1.315 -2.868 -0.468 114 HG LEU 13 HG LEU 13 0.870 -2.688 0.477 115 HD11 LEU 13 1HD1 LEU 13 -0.522 -0.019 0.656 116 HD12 LEU 13 2HD1 LEU 13 0.118 -0.760 -0.812 117 HD13 LEU 13 3HD1 LEU 13 1.214 -0.270 0.481 118 HD21 LEU 13 3HD2 LEU 13 -0.567 -1.589 2.872 119 HD22 LEU 13 1HD2 LEU 13 1.153 -1.309 2.604 120 HD23 LEU 13 2HD2 LEU 13 0.545 -2.954 2.783 121 H LYS 14 H LYS 14 -3.848 -2.480 -1.046 122 HA LYS 14 HA LYS 14 -3.227 -0.282 -2.765 123 HB2 LYS 14 2HB LYS 14 -3.787 -2.648 -3.495 124 HB3 LYS 14 1HB LYS 14 -5.466 -2.272 -3.128 125 HG2 LYS 14 2HG LYS 14 -4.901 -0.195 -4.713 126 HG3 LYS 14 1HG LYS 14 -3.762 -1.374 -5.367 127 HD2 LYS 14 2HD LYS 14 -5.578 -1.897 -6.639 128 HD3 LYS 14 1HD LYS 14 -5.913 -2.934 -5.251 129 HE2 LYS 14 2HE LYS 14 -6.949 -0.128 -5.332 130 HE3 LYS 14 1HE LYS 14 -7.791 -1.412 -6.199 131 HZ1 LYS 14 3HZ LYS 14 -8.725 -1.148 -4.015 132 HZ2 LYS 14 1HZ LYS 14 -7.209 -1.342 -3.287 133 HZ3 LYS 14 2HZ LYS 14 -7.933 -2.640 -4.094 134 H GLN 15 H GLN 15 -6.206 -1.341 -1.125 135 HA GLN 15 HA GLN 15 -7.839 0.777 -1.908 136 HB2 GLN 15 2HB GLN 15 -8.526 -1.367 -0.745 137 HB3 GLN 15 1HB GLN 15 -8.007 -0.619 0.759 138 HG2 GLN 15 2HG GLN 15 -10.108 0.094 0.921 139 HG3 GLN 15 1HG GLN 15 -9.649 1.292 -0.289 140 HE21 GLN 15 1HE2 GLN 15 -12.258 0.242 0.156 141 HE22 GLN 15 2HE2 GLN 15 -12.743 -0.570 -1.290 142 H ARG 16 H ARG 16 -5.846 0.447 1.021 143 HA ARG 16 HA ARG 16 -6.535 2.949 2.123 144 HB2 ARG 16 2HB ARG 16 -5.276 0.868 3.144 145 HB3 ARG 16 1HB ARG 16 -3.844 1.740 2.614 146 HG2 ARG 16 2HG ARG 16 -4.417 2.175 4.964 147 HG3 ARG 16 1HG ARG 16 -4.440 3.638 3.976 148 HD2 ARG 16 2HD ARG 16 -6.355 3.328 5.620 149 HD3 ARG 16 1HD ARG 16 -6.787 3.716 3.954 150 HE ARG 16 HE ARG 16 -7.784 1.661 3.763 151 HH11 ARG 16 1HH1 ARG 16 -5.801 1.702 6.635 152 HH12 ARG 16 2HH1 ARG 16 -6.393 0.183 7.217 153 HH21 ARG 16 1HH2 ARG 16 -8.565 -0.337 4.527 154 HH22 ARG 16 2HH2 ARG 16 -7.962 -0.976 6.019 155 H VAL 17 H VAL 17 -3.908 1.934 -0.013 156 HA VAL 17 HA VAL 17 -2.525 4.395 -0.024 157 HB VAL 17 HB VAL 17 -2.543 2.017 -1.853 158 HG11 VAL 17 1HG1 VAL 17 -0.525 3.252 -2.957 159 HG12 VAL 17 2HG1 VAL 17 -1.375 4.705 -2.428 160 HG13 VAL 17 3HG1 VAL 17 -2.168 3.567 -3.516 161 HG21 VAL 17 3HG2 VAL 17 -0.303 3.311 -0.312 162 HG22 VAL 17 1HG2 VAL 17 -0.302 1.725 -1.081 163 HG23 VAL 17 2HG2 VAL 17 -1.324 2.022 0.326 164 H ILE 18 H ILE 18 -4.844 3.022 -2.381 165 HA ILE 18 HA ILE 18 -4.894 5.176 -4.134 166 HB ILE 18 HB ILE 18 -7.087 4.401 -4.877 167 HG12 ILE 18 2HG1 ILE 18 -6.996 2.451 -2.569 168 HG13 ILE 18 1HG1 ILE 18 -7.976 3.914 -2.580 169 HG21 ILE 18 1HG2 ILE 18 -6.161 2.675 -5.944 170 HG22 ILE 18 2HG2 ILE 18 -5.877 1.786 -4.447 171 HG23 ILE 18 3HG2 ILE 18 -4.724 3.009 -4.979 172 HD11 ILE 18 3HD1 ILE 18 -9.038 3.000 -4.693 173 HD12 ILE 18 1HD1 ILE 18 -9.425 2.180 -3.181 174 HD13 ILE 18 2HD1 ILE 18 -8.254 1.472 -4.292 175 H GLN 19 H GLN 19 -6.611 4.704 -1.104 176 HA GLN 19 HA GLN 19 -8.319 6.970 -1.396 177 HB2 GLN 19 2HB GLN 19 -7.535 5.236 0.935 178 HB3 GLN 19 1HB GLN 19 -8.550 6.656 1.150 179 HG2 GLN 19 2HG GLN 19 -9.651 5.189 -0.984 180 HG3 GLN 19 1HG GLN 19 -9.271 4.032 0.290 181 HE21 GLN 19 1HE2 GLN 19 -11.648 5.891 -0.881 182 HE22 GLN 19 2HE2 GLN 19 -12.563 6.173 0.556 183 H TYR 20 H TYR 20 -5.112 6.435 -0.113 184 HA TYR 20 HA TYR 20 -4.926 8.951 1.236 185 HB2 TYR 20 2HB TYR 20 -3.146 6.660 0.704 186 HB3 TYR 20 1HB TYR 20 -2.335 8.214 0.866 187 HD1 TYR 20 1HD TYR 20 -3.996 9.540 2.905 188 HD2 TYR 20 2HD TYR 20 -2.642 5.513 2.669 189 HE1 TYR 20 1HE TYR 20 -4.134 9.356 5.354 190 HE2 TYR 20 2HE TYR 20 -2.778 5.318 5.117 191 HH TYR 20 HH TYR 20 -3.902 6.363 6.989 192 H LEU 21 H LEU 21 -3.930 7.743 -1.936 193 HA LEU 21 HA LEU 21 -2.533 10.126 -2.662 194 HB2 LEU 21 2HB LEU 21 -3.679 8.232 -4.676 195 HB3 LEU 21 1HB LEU 21 -2.191 9.153 -4.751 196 HG LEU 21 HG LEU 21 -2.258 7.149 -2.601 197 HD11 LEU 21 1HD1 LEU 21 -3.164 6.394 -5.198 198 HD12 LEU 21 2HD1 LEU 21 -2.896 5.385 -3.778 199 HD13 LEU 21 3HD1 LEU 21 -1.577 5.682 -4.909 200 HD21 LEU 21 3HD2 LEU 21 -0.235 7.393 -4.786 201 HD22 LEU 21 1HD2 LEU 21 -0.014 6.910 -3.104 202 HD23 LEU 21 2HD2 LEU 21 -0.318 8.602 -3.503 203 H SER 22 H SER 22 -5.698 8.779 -3.581 204 HA SER 22 HA SER 22 -6.518 10.892 -5.217 205 HB2 SER 22 2HB SER 22 -7.582 8.503 -4.629 206 HB3 SER 22 1HB SER 22 -8.586 9.509 -3.586 207 HG SER 22 HG SER 22 -8.916 10.823 -5.552 208 H SER 23 H SER 23 -7.077 10.347 -1.749 209 HA SER 23 HA SER 23 -8.634 12.625 -1.276 210 HB2 SER 23 2HB SER 23 -8.309 10.694 0.304 211 HB3 SER 23 1HB SER 23 -6.718 11.350 0.687 212 HG SER 23 HG SER 23 -7.954 13.351 1.198 213 H ASN 24 H ASN 24 -5.149 12.176 -1.386 214 HA ASN 24 HA ASN 24 -4.671 14.921 -1.897 215 HB2 ASN 24 2HB ASN 24 -3.320 15.371 0.178 216 HB3 ASN 24 1HB ASN 24 -5.058 15.276 0.441 217 HD21 ASN 24 1HD2 ASN 24 -5.921 13.364 1.382 218 HD22 ASN 24 2HD2 ASN 24 -4.939 12.366 2.394 219 H ARG 25 H ARG 25 -2.285 15.403 -1.941 220 HA ARG 25 HA ARG 25 -0.940 13.305 -3.316 221 HB2 ARG 25 2HB ARG 25 0.175 15.928 -2.310 222 HB3 ARG 25 1HB ARG 25 0.910 14.884 -3.518 223 HG2 ARG 25 2HG ARG 25 -1.829 15.678 -4.153 224 HG3 ARG 25 1HG ARG 25 -0.694 17.025 -4.041 225 HD2 ARG 25 2HD ARG 25 0.791 15.909 -5.628 226 HD3 ARG 25 1HD ARG 25 -0.331 14.553 -5.732 227 HE ARG 25 HE ARG 25 -1.654 16.966 -6.372 228 HH11 ARG 25 1HH1 ARG 25 0.662 14.701 -7.669 229 HH12 ARG 25 2HH1 ARG 25 0.268 15.051 -9.319 230 HH21 ARG 25 1HH2 ARG 25 -2.174 17.428 -8.541 231 HH22 ARG 25 2HH2 ARG 25 -1.341 16.600 -9.814 232 H CYS 26 H CYS 26 -0.529 14.815 -0.138 233 HA CYS 26 HA CYS 26 0.561 14.147 1.741 234 HB2 CYS 26 2HB CYS 26 -0.798 11.994 0.992 235 HB3 CYS 26 1HB CYS 26 0.819 11.350 0.732 236 HG CYS 26 HG CYS 26 0.023 12.440 3.530 237 H GLY 27 H GLY 27 2.221 15.383 0.121 238 HA2 GLY 27 2HA GLY 27 4.642 15.451 0.513 239 HA3 GLY 27 1HA GLY 27 4.667 13.726 0.177 240 H LYS 28 H LYS 28 2.756 15.973 -1.699 241 HA LYS 28 HA LYS 28 2.890 16.698 -3.852 242 HB2 LYS 28 2HB LYS 28 5.320 17.244 -2.965 243 HB3 LYS 28 1HB LYS 28 5.777 15.955 -4.067 244 HG2 LYS 28 2HG LYS 28 3.992 17.746 -5.400 245 HG3 LYS 28 1HG LYS 28 5.304 18.663 -4.658 246 HD2 LYS 28 2HD LYS 28 5.655 16.270 -6.463 247 HD3 LYS 28 1HD LYS 28 5.827 17.954 -6.962 248 HE2 LYS 28 2HE LYS 28 7.897 18.081 -6.138 249 HE3 LYS 28 1HE LYS 28 7.413 17.345 -4.610 250 HZ1 LYS 28 3HZ LYS 28 8.382 16.040 -7.068 251 HZ2 LYS 28 1HZ LYS 28 7.427 15.177 -5.969 252 HZ3 LYS 28 2HZ LYS 28 8.905 15.832 -5.473 253 H TYR 29 H TYR 29 5.294 14.064 -3.766 254 HA TYR 29 HA TYR 29 3.527 12.370 -5.331 255 HB2 TYR 29 2HB TYR 29 5.000 13.870 -6.866 256 HB3 TYR 29 1HB TYR 29 6.307 12.796 -6.382 257 HD1 TYR 29 1HD TYR 29 2.733 12.048 -7.137 258 HD2 TYR 29 2HD TYR 29 6.803 11.507 -8.252 259 HE1 TYR 29 1HE TYR 29 2.040 10.438 -8.861 260 HE2 TYR 29 2HE TYR 29 6.120 9.896 -9.982 261 HH TYR 29 HH TYR 29 2.956 8.606 -10.145 262 H VAL 30 H VAL 30 3.547 10.505 -4.280 263 HA VAL 30 HA VAL 30 5.887 9.731 -2.727 264 HB VAL 30 HB VAL 30 3.398 8.069 -2.905 265 HG11 VAL 30 1HG1 VAL 30 5.350 8.636 -0.677 266 HG12 VAL 30 2HG1 VAL 30 5.323 7.193 -1.690 267 HG13 VAL 30 3HG1 VAL 30 3.982 7.528 -0.594 268 HG21 VAL 30 3HG2 VAL 30 2.570 10.319 -2.538 269 HG22 VAL 30 1HG2 VAL 30 3.729 10.558 -1.229 270 HG23 VAL 30 2HG2 VAL 30 2.430 9.377 -1.054 271 H ASP 31 H ASP 31 6.842 7.644 -2.888 272 HA ASP 31 HA ASP 31 6.575 6.423 -5.554 273 HB2 ASP 31 2HB ASP 31 8.959 7.219 -3.984 274 HB3 ASP 31 1HB ASP 31 9.065 5.679 -4.832 275 H THR 32 H THR 32 7.672 4.114 -5.465 276 HA THR 32 HA THR 32 6.009 2.474 -3.945 277 HB THR 32 HB THR 32 7.567 0.638 -4.579 278 HG1 THR 32 1HG THR 32 9.093 2.734 -5.727 279 HG21 THR 32 3HG2 THR 32 7.614 1.302 -7.136 280 HG22 THR 32 1HG2 THR 32 6.504 2.552 -6.570 281 HG23 THR 32 2HG2 THR 32 6.122 0.849 -6.309 282 H GLY 33 H GLY 33 9.520 2.955 -3.488 283 HA2 GLY 33 2HA GLY 33 9.612 1.644 -0.986 284 HA3 GLY 33 1HA GLY 33 10.841 2.727 -1.622 285 H ILE 34 H ILE 34 9.349 5.078 -1.827 286 HA ILE 34 HA ILE 34 9.529 6.062 0.809 287 HB ILE 34 HB ILE 34 8.105 7.317 -1.538 288 HG12 ILE 34 2HG1 ILE 34 10.928 7.842 -0.613 289 HG13 ILE 34 1HG1 ILE 34 10.545 6.669 -1.870 290 HG21 ILE 34 1HG2 ILE 34 8.368 9.409 -0.400 291 HG22 ILE 34 2HG2 ILE 34 9.286 8.640 0.896 292 HG23 ILE 34 3HG2 ILE 34 7.573 8.276 0.693 293 HD11 ILE 34 3HD1 ILE 34 9.245 8.817 -2.822 294 HD12 ILE 34 1HD1 ILE 34 10.918 8.424 -3.218 295 HD13 ILE 34 2HD1 ILE 34 10.565 9.606 -1.958 296 H LEU 35 H LEU 35 6.715 5.281 -1.225 297 HA LEU 35 HA LEU 35 4.721 6.080 0.559 298 HB2 LEU 35 2HB LEU 35 4.344 5.478 -1.812 299 HB3 LEU 35 1HB LEU 35 4.616 3.793 -1.411 300 HG LEU 35 HG LEU 35 2.638 3.844 0.072 301 HD11 LEU 35 1HD1 LEU 35 1.110 5.734 -0.013 302 HD12 LEU 35 2HD1 LEU 35 2.238 6.615 -1.043 303 HD13 LEU 35 3HD1 LEU 35 2.680 6.226 0.620 304 HD21 LEU 35 3HD2 LEU 35 1.632 4.873 -2.519 305 HD22 LEU 35 1HD2 LEU 35 1.187 3.420 -1.626 306 HD23 LEU 35 2HD2 LEU 35 2.686 3.459 -2.555 307 H ALA 36 H ALA 36 6.460 3.018 0.275 308 HA ALA 36 HA ALA 36 4.966 1.494 2.072 309 HB1 ALA 36 1HB ALA 36 6.498 0.269 0.846 310 HB2 ALA 36 2HB ALA 36 7.252 0.319 2.438 311 HB3 ALA 36 3HB ALA 36 7.813 1.401 1.164 312 H SER 37 H SER 37 7.791 3.569 2.667 313 HA SER 37 HA SER 37 7.894 3.081 5.458 314 HB2 SER 37 2HB SER 37 9.172 4.976 3.562 315 HB3 SER 37 1HB SER 37 9.131 5.465 5.256 316 HG SER 37 HG SER 37 10.185 3.537 5.787 317 H ASP 38 H ASP 38 6.177 5.391 3.465 318 HA ASP 38 HA ASP 38 5.366 7.082 5.622 319 HB2 ASP 38 2HB ASP 38 4.859 6.899 2.721 320 HB3 ASP 38 1HB ASP 38 3.538 7.582 3.665 321 H LEU 39 H LEU 39 3.802 4.486 3.777 322 HA LEU 39 HA LEU 39 1.292 4.618 5.005 323 HB2 LEU 39 2HB LEU 39 2.303 3.179 2.980 324 HB3 LEU 39 1HB LEU 39 2.337 1.952 4.233 325 HG LEU 39 HG LEU 39 -0.054 2.149 4.562 326 HD11 LEU 39 1HD1 LEU 39 0.309 4.575 2.930 327 HD12 LEU 39 2HD1 LEU 39 -0.839 4.234 4.224 328 HD13 LEU 39 3HD1 LEU 39 -1.142 3.629 2.596 329 HD21 LEU 39 3HD2 LEU 39 0.650 1.941 1.636 330 HD22 LEU 39 1HD2 LEU 39 -0.824 1.336 2.392 331 HD23 LEU 39 2HD2 LEU 39 0.737 0.634 2.818 332 H GLN 40 H GLN 40 4.230 2.884 5.911 333 HA GLN 40 HA GLN 40 3.027 1.512 8.113 334 HB2 GLN 40 2HB GLN 40 5.294 0.845 8.689 335 HB3 GLN 40 1HB GLN 40 5.028 0.650 6.962 336 HG2 GLN 40 2HG GLN 40 6.248 2.679 6.503 337 HG3 GLN 40 1HG GLN 40 6.430 2.993 8.229 338 HE21 GLN 40 1HE2 GLN 40 7.469 1.066 5.536 339 HE22 GLN 40 2HE2 GLN 40 8.855 0.374 6.301 340 H ARG 41 H ARG 41 4.855 4.494 7.715 341 HA ARG 41 HA ARG 41 5.350 5.071 10.403 342 HB2 ARG 41 2HB ARG 41 6.384 6.289 8.535 343 HB3 ARG 41 1HB ARG 41 4.826 7.002 8.136 344 HG2 ARG 41 2HG ARG 41 4.816 8.340 10.047 345 HG3 ARG 41 1HG ARG 41 6.064 7.377 10.838 346 HD2 ARG 41 2HD ARG 41 7.550 8.857 10.102 347 HD3 ARG 41 1HD ARG 41 7.239 8.261 8.473 348 HE ARG 41 HE ARG 41 6.343 10.748 9.620 349 HH11 ARG 41 1HH1 ARG 41 5.816 8.379 7.111 350 HH12 ARG 41 2HH1 ARG 41 4.997 9.488 6.064 351 HH21 ARG 41 1HH2 ARG 41 5.267 12.207 8.243 352 HH22 ARG 41 2HH2 ARG 41 4.687 11.661 6.706 353 H LEU 42 H LEU 42 2.605 6.002 8.346 354 HA LEU 42 HA LEU 42 1.230 7.363 10.440 355 HB2 LEU 42 2HB LEU 42 -0.695 7.329 8.865 356 HB3 LEU 42 1HB LEU 42 0.773 8.008 8.189 357 HG LEU 42 HG LEU 42 1.040 5.461 7.353 358 HD11 LEU 42 1HD1 LEU 42 -0.977 4.591 8.225 359 HD12 LEU 42 2HD1 LEU 42 -1.236 4.800 6.493 360 HD13 LEU 42 3HD1 LEU 42 -1.910 5.965 7.633 361 HD21 LEU 42 3HD2 LEU 42 0.137 6.229 5.201 362 HD22 LEU 42 1HD2 LEU 42 1.187 7.433 5.948 363 HD23 LEU 42 2HD2 LEU 42 -0.564 7.631 6.008 364 H TYR 43 H TYR 43 1.203 4.092 9.178 365 HA TYR 43 HA TYR 43 -0.865 3.373 11.144 366 HB2 TYR 43 2HB TYR 43 -0.186 2.372 8.440 367 HB3 TYR 43 1HB TYR 43 -0.659 1.152 9.617 368 HD1 TYR 43 1HD TYR 43 -2.745 2.362 11.165 369 HD2 TYR 43 2HD TYR 43 -1.948 2.770 7.006 370 HE1 TYR 43 1HE TYR 43 -5.112 2.894 10.770 371 HE2 TYR 43 2HE TYR 43 -4.314 3.306 6.599 372 HH TYR 43 HH TYR 43 -6.245 4.147 7.800 373 H SER 44 H SER 44 1.676 3.815 12.114 374 HA SER 44 HA SER 44 3.392 1.622 12.212 375 HB2 SER 44 2HB SER 44 3.534 4.103 13.203 376 HB3 SER 44 1HB SER 44 3.079 3.254 14.680 377 HG SER 44 HG SER 44 4.925 2.113 14.613 378 H VAL 45 H VAL 45 0.413 2.254 13.913 379 HA VAL 45 HA VAL 45 0.742 0.238 15.903 380 HB VAL 45 HB VAL 45 -1.865 1.394 14.915 381 HG11 VAL 45 1HG1 VAL 45 -1.162 0.362 17.652 382 HG12 VAL 45 2HG1 VAL 45 -1.892 -0.641 16.397 383 HG13 VAL 45 3HG1 VAL 45 -2.758 0.764 17.019 384 HG21 VAL 45 3HG2 VAL 45 -1.339 2.794 17.154 385 HG22 VAL 45 1HG2 VAL 45 -0.939 3.359 15.531 386 HG23 VAL 45 2HG2 VAL 45 0.297 2.588 16.526 387 H ASP 46 H ASP 46 -0.522 0.310 12.648 388 HA ASP 46 HA ASP 46 -1.562 -2.409 12.889 389 HB2 ASP 46 2HB ASP 46 -2.724 -0.451 11.637 390 HB3 ASP 46 1HB ASP 46 -1.565 -0.792 10.355 391 H TYR 47 H TYR 47 0.531 -0.670 10.576 392 HA TYR 47 HA TYR 47 1.708 -3.128 9.659 393 HB2 TYR 47 2HB TYR 47 2.423 -0.247 9.074 394 HB3 TYR 47 1HB TYR 47 3.119 -1.643 8.257 395 HD1 TYR 47 1HD TYR 47 0.915 -3.360 7.654 396 HD2 TYR 47 2HD TYR 47 1.047 0.892 7.615 397 HE1 TYR 47 1HE TYR 47 -0.921 -3.324 6.019 398 HE2 TYR 47 2HE TYR 47 -0.790 0.940 5.980 399 HH TYR 47 HH TYR 47 -1.728 -0.655 4.218 400 H GLY 48 H GLY 48 2.927 -0.267 11.404 401 HA2 GLY 48 2HA GLY 48 4.618 -0.071 12.950 402 HA3 GLY 48 1HA GLY 48 4.576 -1.820 13.117 403 H ARG 49 H ARG 49 6.276 -2.934 12.406 404 HA ARG 49 HA ARG 49 7.897 -1.905 10.222 405 HB2 ARG 49 2HB ARG 49 9.986 -2.041 11.462 406 HB3 ARG 49 1HB ARG 49 8.896 -0.898 12.235 407 HG2 ARG 49 2HG ARG 49 8.772 -3.668 13.233 408 HG3 ARG 49 1HG ARG 49 10.267 -2.787 13.558 409 HD2 ARG 49 2HD ARG 49 8.233 -0.973 14.128 410 HD3 ARG 49 1HD ARG 49 7.653 -2.510 14.768 411 HE ARG 49 HE ARG 49 9.279 -2.422 16.380 412 HH11 ARG 49 1HH1 ARG 49 9.998 -0.066 13.906 413 HH12 ARG 49 2HH1 ARG 49 11.278 0.674 14.808 414 HH21 ARG 49 1HH2 ARG 49 10.965 -1.451 17.565 415 HH22 ARG 49 2HH2 ARG 49 11.828 -0.113 16.885 416 H ARG 50 H ARG 50 6.147 -4.176 10.560 417 HA ARG 50 HA ARG 50 7.744 -6.521 10.947 418 HB2 ARG 50 2HB ARG 50 4.971 -5.909 10.619 419 HB3 ARG 50 1HB ARG 50 5.410 -7.145 9.447 420 HG2 ARG 50 2HG ARG 50 5.756 -7.273 12.433 421 HG3 ARG 50 1HG ARG 50 4.631 -8.207 11.445 422 HD2 ARG 50 2HD ARG 50 7.014 -8.790 10.262 423 HD3 ARG 50 1HD ARG 50 7.494 -8.612 11.949 424 HE ARG 50 HE ARG 50 5.179 -10.273 11.575 425 HH11 ARG 50 1HH1 ARG 50 8.668 -10.201 11.643 426 HH12 ARG 50 2HH1 ARG 50 8.819 -11.885 12.021 427 HH21 ARG 50 1HH2 ARG 50 5.377 -12.487 12.072 428 HH22 ARG 50 2HH2 ARG 50 6.952 -13.183 12.264 429 H LYS 51 H LYS 51 9.237 -7.175 9.565 430 HA LYS 51 HA LYS 51 10.366 -7.631 7.643 431 HB2 LYS 51 2HB LYS 51 7.555 -7.735 6.546 432 HB3 LYS 51 1HB LYS 51 8.983 -8.242 5.657 433 HG2 LYS 51 2HG LYS 51 8.614 -9.461 8.312 434 HG3 LYS 51 1HG LYS 51 7.445 -9.912 7.067 435 HD2 LYS 51 2HD LYS 51 9.311 -11.466 7.070 436 HD3 LYS 51 1HD LYS 51 9.298 -10.528 5.575 437 HE2 LYS 51 2HE LYS 51 11.038 -9.077 6.438 438 HE3 LYS 51 1HE LYS 51 11.012 -9.926 7.983 439 HZ1 LYS 51 3HZ LYS 51 12.713 -11.026 7.019 440 HZ2 LYS 51 1HZ LYS 51 12.182 -10.729 5.439 441 HZ3 LYS 51 2HZ LYS 51 11.466 -11.957 6.356 442 H ARG 52 H ARG 52 11.548 -5.852 7.179 443 HA ARG 52 HA ARG 52 10.466 -3.412 6.232 444 HB2 ARG 52 2HB ARG 52 13.288 -4.489 6.091 445 HB3 ARG 52 1HB ARG 52 12.830 -2.832 5.720 446 HG2 ARG 52 2HG ARG 52 11.758 -3.166 8.205 447 HG3 ARG 52 1HG ARG 52 13.222 -4.145 8.300 448 HD2 ARG 52 2HD ARG 52 14.434 -2.305 8.563 449 HD3 ARG 52 1HD ARG 52 13.889 -1.719 6.993 450 HE ARG 52 HE ARG 52 12.924 -0.907 9.593 451 HH11 ARG 52 1HH1 ARG 52 12.295 -0.976 6.158 452 HH12 ARG 52 2HH1 ARG 52 11.198 0.361 6.207 453 HH21 ARG 52 1HH2 ARG 52 11.479 0.850 9.656 454 HH22 ARG 52 2HH2 ARG 52 10.735 1.399 8.191 455 H ASN 53 H ASN 53 12.092 -6.114 4.603 456 HA ASN 53 HA ASN 53 11.886 -4.942 2.005 457 HB2 ASN 53 2HB ASN 53 12.611 -7.188 1.209 458 HB3 ASN 53 1HB ASN 53 13.664 -6.514 2.451 459 HD21 ASN 53 1HD2 ASN 53 13.745 -7.463 4.462 460 HD22 ASN 53 2HD2 ASN 53 13.059 -9.014 4.791 461 H ALA 54 H ALA 54 10.132 -7.570 3.656 462 HA ALA 54 HA ALA 54 8.446 -8.323 1.597 463 HB1 ALA 54 1HB ALA 54 7.168 -9.439 3.173 464 HB2 ALA 54 2HB ALA 54 7.428 -8.206 4.407 465 HB3 ALA 54 3HB ALA 54 8.735 -9.307 3.973 466 H PHE 55 H PHE 55 7.854 -5.836 4.078 467 HA PHE 55 HA PHE 55 5.320 -5.063 3.166 468 HB2 PHE 55 2HB PHE 55 6.476 -4.443 5.364 469 HB3 PHE 55 1HB PHE 55 7.287 -3.175 4.451 470 HD1 PHE 55 2HD PHE 55 3.796 -4.488 4.691 471 HD2 PHE 55 1HD PHE 55 6.375 -1.103 4.758 472 HE1 PHE 55 2HE PHE 55 1.850 -3.018 5.014 473 HE2 PHE 55 1HE PHE 55 4.432 0.374 5.081 474 HZ PHE 55 HZ PHE 55 2.167 -0.583 5.209 475 H ARG 56 H ARG 56 8.545 -4.076 2.181 476 HA ARG 56 HA ARG 56 7.758 -1.867 0.593 477 HB2 ARG 56 2HB ARG 56 10.218 -3.556 0.802 478 HB3 ARG 56 1HB ARG 56 10.046 -2.466 -0.567 479 HG2 ARG 56 2HG ARG 56 9.426 -0.805 1.471 480 HG3 ARG 56 1HG ARG 56 10.575 -1.885 2.261 481 HD2 ARG 56 2HD ARG 56 12.294 -1.336 0.772 482 HD3 ARG 56 1HD ARG 56 11.173 -0.656 -0.408 483 HE ARG 56 HE ARG 56 10.871 0.944 1.765 484 HH11 ARG 56 1HH1 ARG 56 13.626 -0.082 -0.117 485 HH12 ARG 56 2HH1 ARG 56 14.524 1.370 0.176 486 HH21 ARG 56 1HH2 ARG 56 12.051 2.853 2.152 487 HH22 ARG 56 2HH2 ARG 56 13.630 3.036 1.464 488 H ILE 57 H ILE 57 8.314 -5.284 -0.132 489 HA ILE 57 HA ILE 57 8.024 -5.146 -2.914 490 HB ILE 57 HB ILE 57 7.251 -7.457 -1.128 491 HG12 ILE 57 2HG1 ILE 57 9.866 -7.311 -2.557 492 HG13 ILE 57 1HG1 ILE 57 9.676 -6.364 -1.086 493 HG21 ILE 57 1HG2 ILE 57 7.619 -8.845 -3.075 494 HG22 ILE 57 2HG2 ILE 57 8.072 -7.433 -4.029 495 HG23 ILE 57 3HG2 ILE 57 6.418 -7.607 -3.443 496 HD11 ILE 57 3HD1 ILE 57 10.004 -9.236 -1.443 497 HD12 ILE 57 1HD1 ILE 57 8.714 -8.798 -0.323 498 HD13 ILE 57 2HD1 ILE 57 10.355 -8.213 -0.050 499 H GLN 58 H GLN 58 5.609 -5.709 -0.370 500 HA GLN 58 HA GLN 58 3.408 -6.125 -2.059 501 HB2 GLN 58 2HB GLN 58 3.648 -5.130 0.773 502 HB3 GLN 58 1HB GLN 58 2.086 -5.290 -0.016 503 HG2 GLN 58 2HG GLN 58 2.030 -7.434 0.502 504 HG3 GLN 58 1HG GLN 58 3.513 -7.707 -0.411 505 HE21 GLN 58 1HE2 GLN 58 2.695 -6.084 2.642 506 HE22 GLN 58 2HE2 GLN 58 3.881 -6.905 3.594 507 H VAL 59 H VAL 59 4.652 -3.160 -0.558 508 HA VAL 59 HA VAL 59 2.656 -1.450 -1.616 509 HB VAL 59 HB VAL 59 5.459 -0.676 -0.797 510 HG11 VAL 59 1HG1 VAL 59 3.620 0.866 -2.029 511 HG12 VAL 59 2HG1 VAL 59 4.815 1.481 -0.885 512 HG13 VAL 59 3HG1 VAL 59 3.175 1.124 -0.341 513 HG21 VAL 59 3HG2 VAL 59 3.266 -0.288 1.116 514 HG22 VAL 59 1HG2 VAL 59 4.922 -0.833 1.381 515 HG23 VAL 59 2HG2 VAL 59 3.698 -1.971 0.818 516 H GLU 60 H GLU 60 5.800 -2.525 -2.768 517 HA GLU 60 HA GLU 60 6.126 -0.717 -4.883 518 HB2 GLU 60 2HB GLU 60 7.185 -3.425 -4.235 519 HB3 GLU 60 1HB GLU 60 7.392 -2.838 -5.878 520 HG2 GLU 60 2HG GLU 60 8.664 -0.980 -5.152 521 HG3 GLU 60 1HG GLU 60 8.240 -1.264 -3.464 522 H LYS 61 H LYS 61 4.573 -3.906 -4.778 523 HA LYS 61 HA LYS 61 3.823 -3.859 -7.538 524 HB2 LYS 61 2HB LYS 61 3.471 -5.664 -5.241 525 HB3 LYS 61 1HB LYS 61 2.140 -5.686 -6.390 526 HG2 LYS 61 2HG LYS 61 3.770 -7.402 -6.915 527 HG3 LYS 61 1HG LYS 61 3.701 -6.191 -8.197 528 HD2 LYS 61 2HD LYS 61 5.923 -6.059 -8.012 529 HD3 LYS 61 1HD LYS 61 5.643 -5.219 -6.486 530 HE2 LYS 61 2HE LYS 61 6.580 -6.888 -5.363 531 HE3 LYS 61 1HE LYS 61 5.430 -8.033 -6.050 532 HZ1 LYS 61 3HZ LYS 61 7.870 -8.469 -6.470 533 HZ2 LYS 61 1HZ LYS 61 7.836 -7.150 -7.529 534 HZ3 LYS 61 2HZ LYS 61 6.859 -8.499 -7.826 535 H VAL 62 H VAL 62 2.322 -2.931 -4.513 536 HA VAL 62 HA VAL 62 -0.298 -2.568 -5.580 537 HB VAL 62 HB VAL 62 1.037 -1.738 -3.020 538 HG11 VAL 62 1HG1 VAL 62 -1.496 -0.681 -4.170 539 HG12 VAL 62 2HG1 VAL 62 -0.305 0.111 -3.138 540 HG13 VAL 62 3HG1 VAL 62 -1.446 -1.039 -2.443 541 HG21 VAL 62 3HG2 VAL 62 -1.285 -3.075 -2.444 542 HG22 VAL 62 1HG2 VAL 62 0.318 -3.803 -2.543 543 HG23 VAL 62 2HG2 VAL 62 -0.760 -3.849 -3.939 544 H PHE 63 H PHE 63 2.548 -0.558 -5.265 545 HA PHE 63 HA PHE 63 1.242 1.916 -5.804 546 HB2 PHE 63 2HB PHE 63 3.441 1.761 -4.672 547 HB3 PHE 63 1HB PHE 63 4.155 1.182 -6.173 548 HD1 PHE 63 1HD PHE 63 2.706 4.077 -4.451 549 HD2 PHE 63 2HD PHE 63 4.621 2.678 -7.984 550 HE1 PHE 63 1HE PHE 63 3.125 6.402 -5.141 551 HE2 PHE 63 2HE PHE 63 5.044 4.999 -8.680 552 HZ PHE 63 HZ PHE 63 4.297 6.865 -7.257 553 H SER 64 H SER 64 2.884 -0.501 -7.776 554 HA SER 64 HA SER 64 2.723 1.010 -10.197 555 HB2 SER 64 2HB SER 64 3.313 -1.242 -11.245 556 HB3 SER 64 1HB SER 64 4.474 -0.585 -10.092 557 HG SER 64 HG SER 64 3.845 -2.050 -8.602 558 H ILE 65 H ILE 65 0.718 -1.390 -8.613 559 HA ILE 65 HA ILE 65 -0.951 -1.861 -10.892 560 HB ILE 65 HB ILE 65 -0.580 -3.468 -8.971 561 HG12 ILE 65 2HG1 ILE 65 -3.494 -2.932 -9.541 562 HG13 ILE 65 1HG1 ILE 65 -2.399 -3.582 -10.755 563 HG21 ILE 65 1HG2 ILE 65 -1.002 -1.767 -7.196 564 HG22 ILE 65 2HG2 ILE 65 -1.889 -3.276 -6.990 565 HG23 ILE 65 3HG2 ILE 65 -2.715 -1.843 -7.606 566 HD11 ILE 65 3HD1 ILE 65 -2.352 -5.011 -8.206 567 HD12 ILE 65 1HD1 ILE 65 -2.431 -5.625 -9.857 568 HD13 ILE 65 2HD1 ILE 65 -3.898 -5.065 -9.053 569 H ILE 66 H ILE 66 -1.237 0.124 -7.966 570 HA ILE 66 HA ILE 66 -3.877 0.970 -8.319 571 HB ILE 66 HB ILE 66 -3.279 2.942 -6.955 572 HG12 ILE 66 2HG1 ILE 66 -0.467 1.844 -7.169 573 HG13 ILE 66 1HG1 ILE 66 -1.043 3.354 -7.869 574 HG21 ILE 66 1HG2 ILE 66 -2.124 1.434 -5.076 575 HG22 ILE 66 2HG2 ILE 66 -2.639 0.162 -6.182 576 HG23 ILE 66 3HG2 ILE 66 -3.825 1.284 -5.516 577 HD11 ILE 66 3HD1 ILE 66 -0.053 4.144 -5.986 578 HD12 ILE 66 1HD1 ILE 66 -0.399 2.687 -5.054 579 HD13 ILE 66 2HD1 ILE 66 -1.678 3.859 -5.364 580 H SER 67 H SER 67 -0.888 2.130 -9.755 581 HA SER 67 HA SER 67 -2.006 4.497 -10.875 582 HB2 SER 67 2HB SER 67 0.153 4.078 -12.431 583 HB3 SER 67 1HB SER 67 0.257 4.754 -10.807 584 HG SER 67 HG SER 67 1.153 2.968 -10.112 585 H SER 68 H SER 68 -1.163 1.334 -12.280 586 HA SER 68 HA SER 68 -2.236 1.991 -14.843 587 HB2 SER 68 2HB SER 68 -0.519 0.073 -13.929 588 HB3 SER 68 1HB SER 68 -1.989 -0.868 -14.184 589 HG SER 68 HG SER 68 -1.057 -0.882 -16.134 590 H GLU 69 H GLU 69 -3.400 0.088 -12.093 591 HA GLU 69 HA GLU 69 -5.770 -0.812 -13.349 592 HB2 GLU 69 2HB GLU 69 -4.541 -1.643 -11.189 593 HB3 GLU 69 1HB GLU 69 -5.581 -0.476 -10.382 594 HG2 GLU 69 2HG GLU 69 -6.872 -2.348 -12.270 595 HG3 GLU 69 1HG GLU 69 -6.269 -3.016 -10.753 596 H LYS 70 H LYS 70 -5.182 1.839 -11.037 597 HA LYS 70 HA LYS 70 -7.921 2.732 -11.249 598 HB2 LYS 70 2HB LYS 70 -5.685 4.262 -9.943 599 HB3 LYS 70 1HB LYS 70 -7.402 4.312 -9.575 600 HG2 LYS 70 2HG LYS 70 -5.642 1.915 -9.108 601 HG3 LYS 70 1HG LYS 70 -6.037 3.122 -7.882 602 HD2 LYS 70 2HD LYS 70 -8.369 2.039 -9.280 603 HD3 LYS 70 1HD LYS 70 -7.456 0.833 -8.372 604 HE2 LYS 70 2HE LYS 70 -8.028 1.713 -6.377 605 HE3 LYS 70 1HE LYS 70 -7.933 3.372 -6.967 606 HZ1 LYS 70 3HZ LYS 70 -10.203 2.596 -6.331 607 HZ2 LYS 70 1HZ LYS 70 -10.156 1.534 -7.648 608 HZ3 LYS 70 2HZ LYS 70 -10.084 3.203 -7.906 609 H GLU 71 H GLU 71 -4.752 3.822 -12.382 610 HA GLU 71 HA GLU 71 -4.159 5.255 -14.053 611 HB2 GLU 71 2HB GLU 71 -7.074 5.348 -14.829 612 HB3 GLU 71 1HB GLU 71 -5.683 5.697 -15.845 613 HG2 GLU 71 2HG GLU 71 -5.663 3.014 -14.691 614 HG3 GLU 71 1HG GLU 71 -7.028 3.331 -15.761 615 H LEU 72 H LEU 72 -3.832 6.652 -12.117 616 HA LEU 72 HA LEU 72 -5.769 8.782 -11.745 617 HB2 LEU 72 2HB LEU 72 -3.044 8.431 -10.493 618 HB3 LEU 72 1HB LEU 72 -4.283 9.563 -9.985 619 HG LEU 72 HG LEU 72 -4.621 6.567 -9.899 620 HD11 LEU 72 1HD1 LEU 72 -3.762 6.478 -7.817 621 HD12 LEU 72 2HD1 LEU 72 -4.307 8.104 -7.404 622 HD13 LEU 72 3HD1 LEU 72 -2.847 7.881 -8.368 623 HD21 LEU 72 3HD2 LEU 72 -6.585 6.966 -8.681 624 HD22 LEU 72 1HD2 LEU 72 -6.645 8.114 -10.018 625 HD23 LEU 72 2HD2 LEU 72 -6.175 8.659 -8.408 626 H LYS 73 H LYS 73 -5.508 10.900 -12.332 627 HA LYS 73 HA LYS 73 -3.085 11.981 -13.341 628 HB2 LYS 73 2HB LYS 73 -4.039 12.370 -15.692 629 HB3 LYS 73 1HB LYS 73 -3.394 10.776 -15.327 630 HG2 LYS 73 2HG LYS 73 -5.804 10.130 -14.767 631 HG3 LYS 73 1HG LYS 73 -6.256 11.624 -15.592 632 HD2 LYS 73 2HD LYS 73 -4.351 9.983 -17.086 633 HD3 LYS 73 1HD LYS 73 -5.898 9.186 -16.793 634 HE2 LYS 73 2HE LYS 73 -6.437 10.279 -18.710 635 HE3 LYS 73 1HE LYS 73 -6.819 11.559 -17.558 636 HZ1 LYS 73 3HZ LYS 73 -4.086 11.424 -18.593 637 HZ2 LYS 73 1HZ LYS 73 -5.015 12.773 -18.167 638 HZ3 LYS 73 2HZ LYS 73 -5.292 11.985 -19.638 639 H ASN 74 H ASN 74 -6.621 12.172 -13.408 640 HA ASN 74 HA ASN 74 -8.065 13.893 -13.058 641 HB2 ASN 74 2HB ASN 74 -5.662 15.140 -11.705 642 HB3 ASN 74 1HB ASN 74 -7.318 15.724 -11.568 643 HD21 ASN 74 1HD2 ASN 74 -7.667 15.381 -9.452 644 HD22 ASN 74 2HD2 ASN 74 -7.632 13.828 -8.695 Start of MODEL 14 1 H MET 1 H MET 1 -23.358 -23.710 1.788 2 HA MET 1 HA MET 1 -22.823 -21.415 1.718 3 HB2 MET 1 2HB MET 1 -20.965 -23.437 0.509 4 HB3 MET 1 1HB MET 1 -20.430 -21.775 0.724 5 HG2 MET 1 2HG MET 1 -21.668 -23.083 3.064 6 HG3 MET 1 1HG MET 1 -20.087 -23.677 2.561 7 HE1 MET 1 2HE MET 1 -21.002 -20.200 5.115 8 HE2 MET 1 3HE MET 1 -20.768 -21.891 5.559 9 HE3 MET 1 1HE MET 1 -22.080 -21.438 4.471 10 H LYS 2 H LYS 2 -23.168 -19.608 0.616 11 HA LYS 2 HA LYS 2 -23.426 -19.712 -2.282 12 HB2 LYS 2 2HB LYS 2 -24.367 -17.934 -0.126 13 HB3 LYS 2 1HB LYS 2 -23.938 -17.120 -1.624 14 HG2 LYS 2 2HG LYS 2 -26.278 -17.627 -1.649 15 HG3 LYS 2 1HG LYS 2 -25.462 -18.641 -2.840 16 HD2 LYS 2 2HD LYS 2 -26.615 -20.311 -1.871 17 HD3 LYS 2 1HD LYS 2 -25.354 -20.228 -0.639 18 HE2 LYS 2 2HE LYS 2 -26.744 -19.359 0.903 19 HE3 LYS 2 1HE LYS 2 -27.563 -18.329 -0.271 20 HZ1 LYS 2 3HZ LYS 2 -28.090 -21.153 -0.576 21 HZ2 LYS 2 1HZ LYS 2 -29.159 -19.843 -0.597 22 HZ3 LYS 2 2HZ LYS 2 -28.651 -20.497 0.878 23 HA PRO 3 HA PRO 3 -19.458 -17.944 -3.081 24 HB2 PRO 3 2HB PRO 3 -19.919 -16.732 -5.459 25 HB3 PRO 3 1HB PRO 3 -19.819 -18.489 -5.288 26 HG2 PRO 3 2HG PRO 3 -22.241 -16.736 -5.452 27 HG3 PRO 3 1HG PRO 3 -21.930 -18.290 -6.247 28 HD2 PRO 3 2HD PRO 3 -23.448 -18.067 -4.012 29 HD3 PRO 3 1HD PRO 3 -22.472 -19.504 -4.368 30 H ARG 4 H ARG 4 -18.391 -16.124 -2.543 31 HA ARG 4 HA ARG 4 -19.529 -13.509 -2.923 32 HB2 ARG 4 2HB ARG 4 -19.434 -14.790 -0.225 33 HB3 ARG 4 1HB ARG 4 -19.113 -13.065 -0.356 34 HG2 ARG 4 2HG ARG 4 -21.313 -12.790 -0.201 35 HG3 ARG 4 1HG ARG 4 -21.396 -13.389 -1.858 36 HD2 ARG 4 2HD ARG 4 -22.541 -15.163 -1.176 37 HD3 ARG 4 1HD ARG 4 -21.223 -15.622 -0.100 38 HE ARG 4 HE ARG 4 -23.689 -14.335 0.625 39 HH11 ARG 4 1HH1 ARG 4 -20.368 -14.886 1.546 40 HH12 ARG 4 2HH1 ARG 4 -20.657 -14.601 3.230 41 HH21 ARG 4 1HH2 ARG 4 -24.070 -13.959 2.839 42 HH22 ARG 4 2HH2 ARG 4 -22.758 -14.074 3.964 43 HA PRO 5 HA PRO 5 -15.246 -12.480 -3.135 44 HB2 PRO 5 2HB PRO 5 -15.304 -9.839 -2.510 45 HB3 PRO 5 1HB PRO 5 -15.888 -10.472 -4.054 46 HG2 PRO 5 2HG PRO 5 -17.442 -9.706 -1.612 47 HG3 PRO 5 1HG PRO 5 -17.798 -9.369 -3.316 48 HD2 PRO 5 2HD PRO 5 -19.007 -11.366 -1.943 49 HD3 PRO 5 1HD PRO 5 -18.666 -11.474 -3.682 50 H GLY 6 H GLY 6 -13.644 -10.908 -1.771 51 HA2 GLY 6 2HA GLY 6 -13.964 -10.679 0.997 52 HA3 GLY 6 1HA GLY 6 -13.231 -12.244 0.680 53 H VAL 7 H VAL 7 -11.444 -11.348 1.951 54 HA VAL 7 HA VAL 7 -9.848 -9.297 0.637 55 HB VAL 7 HB VAL 7 -9.199 -10.799 3.173 56 HG11 VAL 7 1HG1 VAL 7 -7.231 -9.780 2.675 57 HG12 VAL 7 2HG1 VAL 7 -8.031 -8.422 3.466 58 HG13 VAL 7 3HG1 VAL 7 -7.999 -8.523 1.705 59 HG21 VAL 7 3HG2 VAL 7 -10.695 -8.205 2.814 60 HG22 VAL 7 1HG2 VAL 7 -10.093 -8.816 4.355 61 HG23 VAL 7 2HG2 VAL 7 -11.331 -9.712 3.475 62 H PHE 8 H PHE 8 -7.715 -9.614 -0.066 63 HA PHE 8 HA PHE 8 -7.191 -12.302 -1.030 64 HB2 PHE 8 2HB PHE 8 -6.801 -9.801 -2.119 65 HB3 PHE 8 1HB PHE 8 -5.176 -10.262 -1.622 66 HD1 PHE 8 1HD PHE 8 -8.082 -11.321 -3.649 67 HD2 PHE 8 2HD PHE 8 -3.933 -11.828 -2.850 68 HE1 PHE 8 1HE PHE 8 -7.867 -12.709 -5.670 69 HE2 PHE 8 2HE PHE 8 -3.710 -13.216 -4.870 70 HZ PHE 8 HZ PHE 8 -5.679 -13.658 -6.282 71 H VAL 9 H VAL 9 -5.208 -9.797 0.540 72 HA VAL 9 HA VAL 9 -4.281 -11.380 2.645 73 HB VAL 9 HB VAL 9 -3.184 -12.718 0.903 74 HG11 VAL 9 1HG1 VAL 9 -2.926 -10.583 -0.583 75 HG12 VAL 9 2HG1 VAL 9 -1.753 -11.893 -0.697 76 HG13 VAL 9 3HG1 VAL 9 -1.371 -10.446 0.236 77 HG21 VAL 9 3HG2 VAL 9 -2.066 -12.696 2.989 78 HG22 VAL 9 1HG2 VAL 9 -1.392 -11.094 2.693 79 HG23 VAL 9 2HG2 VAL 9 -0.819 -12.477 1.761 80 H ASP 10 H ASP 10 -3.472 -8.873 0.309 81 HA ASP 10 HA ASP 10 -2.748 -7.103 2.522 82 HB2 ASP 10 2HB ASP 10 -0.795 -8.242 0.966 83 HB3 ASP 10 1HB ASP 10 -1.085 -6.719 0.130 84 H ARG 11 H ARG 11 -5.034 -7.477 0.587 85 HA ARG 11 HA ARG 11 -5.130 -5.550 -1.386 86 HB2 ARG 11 2HB ARG 11 -6.874 -7.337 -0.676 87 HB3 ARG 11 1HB ARG 11 -7.509 -6.075 0.370 88 HG2 ARG 11 2HG ARG 11 -8.769 -5.541 -1.394 89 HG3 ARG 11 1HG ARG 11 -7.308 -4.754 -1.996 90 HD2 ARG 11 2HD ARG 11 -7.865 -7.650 -2.547 91 HD3 ARG 11 1HD ARG 11 -8.554 -6.377 -3.554 92 HE ARG 11 HE ARG 11 -5.710 -6.160 -3.198 93 HH11 ARG 11 1HH1 ARG 11 -8.253 -7.609 -5.097 94 HH12 ARG 11 2HH1 ARG 11 -7.253 -7.839 -6.491 95 HH21 ARG 11 1HH2 ARG 11 -4.392 -6.461 -5.030 96 HH22 ARG 11 2HH2 ARG 11 -5.060 -7.187 -6.453 97 H LYS 12 H LYS 12 -5.386 -5.161 2.076 98 HA LYS 12 HA LYS 12 -6.556 -2.650 2.255 99 HB2 LYS 12 2HB LYS 12 -4.690 -4.222 3.948 100 HB3 LYS 12 1HB LYS 12 -4.828 -2.504 4.298 101 HG2 LYS 12 2HG LYS 12 -7.352 -2.901 4.345 102 HG3 LYS 12 1HG LYS 12 -6.945 -4.617 4.431 103 HD2 LYS 12 2HD LYS 12 -5.556 -4.142 6.425 104 HD3 LYS 12 1HD LYS 12 -6.091 -2.461 6.360 105 HE2 LYS 12 2HE LYS 12 -8.285 -4.388 6.295 106 HE3 LYS 12 1HE LYS 12 -7.311 -4.484 7.762 107 HZ1 LYS 12 3HZ LYS 12 -7.848 -2.343 8.364 108 HZ2 LYS 12 1HZ LYS 12 -9.296 -2.859 7.657 109 HZ3 LYS 12 2HZ LYS 12 -8.239 -1.865 6.790 110 H LEU 13 H LEU 13 -3.200 -3.526 1.605 111 HA LEU 13 HA LEU 13 -2.026 -1.011 1.810 112 HB2 LEU 13 2HB LEU 13 -1.076 -3.442 1.273 113 HB3 LEU 13 1HB LEU 13 -1.122 -2.823 -0.366 114 HG LEU 13 HG LEU 13 1.078 -2.469 0.500 115 HD11 LEU 13 1HD1 LEU 13 1.344 -0.292 -0.123 116 HD12 LEU 13 2HD1 LEU 13 -0.044 0.264 0.813 117 HD13 LEU 13 3HD1 LEU 13 -0.292 -0.572 -0.720 118 HD21 LEU 13 3HD2 LEU 13 -0.327 -1.203 2.841 119 HD22 LEU 13 1HD2 LEU 13 1.394 -0.994 2.517 120 HD23 LEU 13 2HD2 LEU 13 0.747 -2.602 2.844 121 H LYS 14 H LYS 14 -3.724 -2.516 -0.898 122 HA LYS 14 HA LYS 14 -3.200 -0.365 -2.712 123 HB2 LYS 14 2HB LYS 14 -3.689 -2.738 -3.388 124 HB3 LYS 14 1HB LYS 14 -5.361 -2.464 -2.916 125 HG2 LYS 14 2HG LYS 14 -5.145 -0.421 -4.557 126 HG3 LYS 14 1HG LYS 14 -3.846 -1.401 -5.240 127 HD2 LYS 14 2HD LYS 14 -5.738 -2.035 -6.459 128 HD3 LYS 14 1HD LYS 14 -5.559 -3.312 -5.253 129 HE2 LYS 14 2HE LYS 14 -7.156 -1.786 -3.847 130 HE3 LYS 14 1HE LYS 14 -7.586 -1.127 -5.425 131 HZ1 LYS 14 3HZ LYS 14 -7.554 -4.024 -5.227 132 HZ2 LYS 14 1HZ LYS 14 -8.650 -3.004 -6.015 133 HZ3 LYS 14 2HZ LYS 14 -8.770 -3.246 -4.345 134 H GLN 15 H GLN 15 -6.103 -1.447 -0.955 135 HA GLN 15 HA GLN 15 -7.785 0.640 -1.763 136 HB2 GLN 15 2HB GLN 15 -8.474 -1.507 -0.644 137 HB3 GLN 15 1HB GLN 15 -7.916 -0.821 0.877 138 HG2 GLN 15 2HG GLN 15 -10.094 -0.257 1.039 139 HG3 GLN 15 1HG GLN 15 -9.538 1.146 0.127 140 HE21 GLN 15 1HE2 GLN 15 -10.348 -2.203 -0.729 141 HE22 GLN 15 2HE2 GLN 15 -11.473 -1.793 -1.974 142 H ARG 16 H ARG 16 -5.690 0.332 1.082 143 HA ARG 16 HA ARG 16 -6.438 2.769 2.290 144 HB2 ARG 16 2HB ARG 16 -5.091 0.758 3.249 145 HB3 ARG 16 1HB ARG 16 -3.693 1.589 2.583 146 HG2 ARG 16 2HG ARG 16 -3.618 2.966 4.313 147 HG3 ARG 16 1HG ARG 16 -5.303 3.432 4.077 148 HD2 ARG 16 2HD ARG 16 -4.612 0.829 5.383 149 HD3 ARG 16 1HD ARG 16 -4.586 2.327 6.312 150 HE ARG 16 HE ARG 16 -7.019 1.931 4.836 151 HH11 ARG 16 1HH1 ARG 16 -5.338 1.226 7.812 152 HH12 ARG 16 2HH1 ARG 16 -6.791 0.960 8.716 153 HH21 ARG 16 1HH2 ARG 16 -8.931 1.584 6.024 154 HH22 ARG 16 2HH2 ARG 16 -8.830 1.165 7.701 155 H VAL 17 H VAL 17 -3.820 1.921 0.060 156 HA VAL 17 HA VAL 17 -2.587 4.456 0.029 157 HB VAL 17 HB VAL 17 -2.534 2.115 -1.855 158 HG11 VAL 17 1HG1 VAL 17 -1.535 4.871 -2.366 159 HG12 VAL 17 2HG1 VAL 17 -2.197 3.681 -3.486 160 HG13 VAL 17 3HG1 VAL 17 -0.547 3.507 -2.889 161 HG21 VAL 17 3HG2 VAL 17 -0.367 1.765 -1.049 162 HG22 VAL 17 1HG2 VAL 17 -1.292 2.231 0.379 163 HG23 VAL 17 2HG2 VAL 17 -0.241 3.406 -0.414 164 H ILE 18 H ILE 18 -4.881 2.969 -2.281 165 HA ILE 18 HA ILE 18 -5.102 5.106 -4.032 166 HB ILE 18 HB ILE 18 -7.285 4.225 -4.687 167 HG12 ILE 18 2HG1 ILE 18 -6.994 2.350 -2.332 168 HG13 ILE 18 1HG1 ILE 18 -8.106 3.711 -2.397 169 HG21 ILE 18 1HG2 ILE 18 -6.363 1.670 -4.713 170 HG22 ILE 18 2HG2 ILE 18 -4.883 2.573 -4.396 171 HG23 ILE 18 3HG2 ILE 18 -5.848 2.936 -5.826 172 HD11 ILE 18 3HD1 ILE 18 -8.191 1.135 -3.900 173 HD12 ILE 18 1HD1 ILE 18 -9.028 2.563 -4.509 174 HD13 ILE 18 2HD1 ILE 18 -9.443 1.905 -2.926 175 H GLN 19 H GLN 19 -6.736 4.565 -0.959 176 HA GLN 19 HA GLN 19 -8.522 6.775 -1.217 177 HB2 GLN 19 2HB GLN 19 -7.668 5.009 1.055 178 HB3 GLN 19 1HB GLN 19 -8.637 6.443 1.364 179 HG2 GLN 19 2HG GLN 19 -9.993 5.243 -0.688 180 HG3 GLN 19 1HG GLN 19 -9.403 3.868 0.243 181 HE21 GLN 19 1HE2 GLN 19 -11.576 3.392 0.784 182 HE22 GLN 19 2HE2 GLN 19 -12.397 4.279 2.017 183 H TYR 20 H TYR 20 -5.275 6.341 -0.006 184 HA TYR 20 HA TYR 20 -5.138 8.858 1.348 185 HB2 TYR 20 2HB TYR 20 -3.262 6.651 0.716 186 HB3 TYR 20 1HB TYR 20 -2.543 8.239 0.968 187 HD1 TYR 20 1HD TYR 20 -4.195 9.388 3.072 188 HD2 TYR 20 2HD TYR 20 -2.790 5.399 2.612 189 HE1 TYR 20 1HE TYR 20 -4.330 9.066 5.506 190 HE2 TYR 20 2HE TYR 20 -2.922 5.065 5.045 191 HH TYR 20 HH TYR 20 -3.030 7.386 7.216 192 H LEU 21 H LEU 21 -4.155 7.673 -1.841 193 HA LEU 21 HA LEU 21 -2.885 10.118 -2.609 194 HB2 LEU 21 2HB LEU 21 -3.979 8.161 -4.593 195 HB3 LEU 21 1HB LEU 21 -2.537 9.150 -4.699 196 HG LEU 21 HG LEU 21 -2.464 7.153 -2.544 197 HD11 LEU 21 1HD1 LEU 21 -3.318 6.367 -5.184 198 HD12 LEU 21 2HD1 LEU 21 -3.155 5.400 -3.721 199 HD13 LEU 21 3HD1 LEU 21 -1.764 5.645 -4.773 200 HD21 LEU 21 3HD2 LEU 21 -0.455 7.235 -4.693 201 HD22 LEU 21 1HD2 LEU 21 -0.248 7.208 -2.942 202 HD23 LEU 21 2HD2 LEU 21 -0.648 8.720 -3.760 203 H SER 22 H SER 22 -6.091 8.728 -3.022 204 HA SER 22 HA SER 22 -7.072 10.681 -4.824 205 HB2 SER 22 2HB SER 22 -9.162 9.659 -4.573 206 HB3 SER 22 1HB SER 22 -8.040 8.343 -4.222 207 HG SER 22 HG SER 22 -9.837 9.610 -2.578 208 H SER 23 H SER 23 -7.429 10.298 -1.304 209 HA SER 23 HA SER 23 -8.908 12.681 -0.931 210 HB2 SER 23 2HB SER 23 -7.314 10.945 0.952 211 HB3 SER 23 1HB SER 23 -8.173 12.385 1.498 212 HG SER 23 HG SER 23 -9.443 10.320 0.040 213 H ASN 24 H ASN 24 -5.459 11.927 -0.678 214 HA ASN 24 HA ASN 24 -4.874 14.780 -0.935 215 HB2 ASN 24 2HB ASN 24 -3.412 13.120 1.112 216 HB3 ASN 24 1HB ASN 24 -3.397 14.869 0.913 217 HD21 ASN 24 1HD2 ASN 24 -5.264 12.125 1.994 218 HD22 ASN 24 2HD2 ASN 24 -6.369 13.017 2.977 219 H ARG 25 H ARG 25 -2.521 15.154 -1.387 220 HA ARG 25 HA ARG 25 -1.684 13.428 -3.494 221 HB2 ARG 25 2HB ARG 25 -0.921 16.025 -2.420 222 HB3 ARG 25 1HB ARG 25 0.478 15.075 -2.900 223 HG2 ARG 25 2HG ARG 25 -1.175 14.717 -5.030 224 HG3 ARG 25 1HG ARG 25 -1.580 16.361 -4.535 225 HD2 ARG 25 2HD ARG 25 1.289 15.835 -4.546 226 HD3 ARG 25 1HD ARG 25 0.540 15.627 -6.129 227 HE ARG 25 HE ARG 25 1.049 18.079 -4.810 228 HH11 ARG 25 1HH1 ARG 25 -1.306 16.496 -6.841 229 HH12 ARG 25 2HH1 ARG 25 -1.880 17.972 -7.542 230 HH21 ARG 25 1HH2 ARG 25 0.295 20.023 -5.730 231 HH22 ARG 25 2HH2 ARG 25 -0.970 19.975 -6.911 232 H CYS 26 H CYS 26 -0.893 13.740 -0.121 233 HA CYS 26 HA CYS 26 0.401 12.502 1.277 234 HB2 CYS 26 2HB CYS 26 -0.823 10.639 0.073 235 HB3 CYS 26 1HB CYS 26 0.595 10.480 -0.957 236 HG CYS 26 HG CYS 26 1.245 10.191 2.002 237 H GLY 27 H GLY 27 1.739 14.499 0.055 238 HA2 GLY 27 2HA GLY 27 4.031 15.053 0.130 239 HA3 GLY 27 1HA GLY 27 4.424 13.363 -0.147 240 H LYS 28 H LYS 28 5.930 14.764 -1.616 241 HA LYS 28 HA LYS 28 4.619 15.123 -4.228 242 HB2 LYS 28 2HB LYS 28 6.944 16.475 -2.918 243 HB3 LYS 28 1HB LYS 28 6.891 16.378 -4.673 244 HG2 LYS 28 2HG LYS 28 4.427 17.323 -3.368 245 HG3 LYS 28 1HG LYS 28 5.828 18.390 -3.248 246 HD2 LYS 28 2HD LYS 28 5.478 17.301 -5.924 247 HD3 LYS 28 1HD LYS 28 4.075 18.224 -5.380 248 HE2 LYS 28 2HE LYS 28 6.677 19.467 -4.815 249 HE3 LYS 28 1HE LYS 28 6.285 19.306 -6.527 250 HZ1 LYS 28 3HZ LYS 28 4.149 20.413 -6.049 251 HZ2 LYS 28 1HZ LYS 28 5.487 21.400 -5.732 252 HZ3 LYS 28 2HZ LYS 28 4.654 20.668 -4.455 253 H TYR 29 H TYR 29 5.009 13.620 -5.701 254 HA TYR 29 HA TYR 29 5.980 11.927 -6.868 255 HB2 TYR 29 2HB TYR 29 8.301 13.527 -5.917 256 HB3 TYR 29 1HB TYR 29 8.637 11.924 -6.561 257 HD1 TYR 29 1HD TYR 29 7.965 11.384 -8.912 258 HD2 TYR 29 2HD TYR 29 7.758 15.336 -7.349 259 HE1 TYR 29 1HE TYR 29 7.858 12.277 -11.201 260 HE2 TYR 29 2HE TYR 29 7.650 16.240 -9.634 261 HH TYR 29 HH TYR 29 8.295 15.555 -11.918 262 H VAL 30 H VAL 30 5.014 11.383 -4.248 263 HA VAL 30 HA VAL 30 6.766 9.864 -2.675 264 HB VAL 30 HB VAL 30 4.611 10.617 -1.828 265 HG11 VAL 30 1HG1 VAL 30 2.614 10.186 -2.763 266 HG12 VAL 30 2HG1 VAL 30 3.040 8.520 -3.153 267 HG13 VAL 30 3HG1 VAL 30 3.570 9.834 -4.203 268 HG21 VAL 30 3HG2 VAL 30 4.530 7.615 -1.822 269 HG22 VAL 30 1HG2 VAL 30 4.083 8.733 -0.533 270 HG23 VAL 30 2HG2 VAL 30 5.780 8.518 -0.964 271 H ASP 31 H ASP 31 8.003 8.586 -4.112 272 HA ASP 31 HA ASP 31 6.916 6.737 -5.934 273 HB2 ASP 31 2HB ASP 31 9.476 7.582 -5.188 274 HB3 ASP 31 1HB ASP 31 9.451 5.857 -4.832 275 H THR 32 H THR 32 7.856 4.284 -5.518 276 HA THR 32 HA THR 32 6.000 3.109 -3.789 277 HB THR 32 HB THR 32 7.188 1.014 -4.195 278 HG1 THR 32 1HG THR 32 9.189 2.581 -5.444 279 HG21 THR 32 3HG2 THR 32 6.015 1.220 -6.097 280 HG22 THR 32 1HG2 THR 32 7.614 1.448 -6.806 281 HG23 THR 32 2HG2 THR 32 6.613 2.847 -6.419 282 H GLY 33 H GLY 33 9.544 3.340 -3.393 283 HA2 GLY 33 2HA GLY 33 9.625 2.310 -0.784 284 HA3 GLY 33 1HA GLY 33 10.854 3.336 -1.508 285 H ILE 34 H ILE 34 9.042 5.566 -1.956 286 HA ILE 34 HA ILE 34 9.323 6.836 0.583 287 HB ILE 34 HB ILE 34 7.779 7.852 -1.803 288 HG12 ILE 34 2HG1 ILE 34 10.715 8.170 -1.139 289 HG13 ILE 34 1HG1 ILE 34 10.057 7.219 -2.467 290 HG21 ILE 34 1HG2 ILE 34 7.328 9.118 0.185 291 HG22 ILE 34 2HG2 ILE 34 8.387 10.066 -0.860 292 HG23 ILE 34 3HG2 ILE 34 9.050 9.240 0.549 293 HD11 ILE 34 3HD1 ILE 34 10.699 10.003 -2.368 294 HD12 ILE 34 1HD1 ILE 34 8.993 9.790 -2.762 295 HD13 ILE 34 2HD1 ILE 34 10.230 9.009 -3.747 296 H LEU 35 H LEU 35 6.577 5.637 -1.299 297 HA LEU 35 HA LEU 35 4.543 6.572 0.408 298 HB2 LEU 35 2HB LEU 35 4.514 5.466 -2.006 299 HB3 LEU 35 1HB LEU 35 4.188 4.016 -1.076 300 HG LEU 35 HG LEU 35 2.525 6.534 -1.116 301 HD11 LEU 35 1HD1 LEU 35 2.382 3.913 -2.468 302 HD12 LEU 35 2HD1 LEU 35 1.806 5.496 -2.989 303 HD13 LEU 35 3HD1 LEU 35 0.869 4.556 -1.829 304 HD21 LEU 35 3HD2 LEU 35 0.966 5.223 0.312 305 HD22 LEU 35 1HD2 LEU 35 2.479 5.646 1.111 306 HD23 LEU 35 2HD2 LEU 35 2.231 4.010 0.504 307 H ALA 36 H ALA 36 6.295 3.495 0.291 308 HA ALA 36 HA ALA 36 4.867 2.143 2.276 309 HB1 ALA 36 1HB ALA 36 6.663 1.265 0.659 310 HB2 ALA 36 2HB ALA 36 6.585 0.569 2.277 311 HB3 ALA 36 3HB ALA 36 7.816 1.771 1.892 312 H SER 37 H SER 37 7.743 4.208 2.533 313 HA SER 37 HA SER 37 8.186 3.888 5.278 314 HB2 SER 37 2HB SER 37 8.976 5.875 3.217 315 HB3 SER 37 1HB SER 37 9.111 6.384 4.900 316 HG SER 37 HG SER 37 10.175 3.934 3.968 317 H ASP 38 H ASP 38 6.189 6.220 3.514 318 HA ASP 38 HA ASP 38 5.392 7.664 5.839 319 HB2 ASP 38 2HB ASP 38 5.281 8.203 3.196 320 HB3 ASP 38 1HB ASP 38 3.619 7.689 3.465 321 H LEU 39 H LEU 39 3.803 5.204 3.822 322 HA LEU 39 HA LEU 39 1.371 5.074 5.166 323 HB2 LEU 39 2HB LEU 39 2.439 3.806 3.028 324 HB3 LEU 39 1HB LEU 39 2.488 2.511 4.207 325 HG LEU 39 HG LEU 39 0.065 2.743 4.566 326 HD11 LEU 39 1HD1 LEU 39 0.382 5.251 3.467 327 HD12 LEU 39 2HD1 LEU 39 -1.151 4.450 3.811 328 HD13 LEU 39 3HD1 LEU 39 -0.445 4.349 2.198 329 HD21 LEU 39 3HD2 LEU 39 -0.544 1.536 2.701 330 HD22 LEU 39 1HD2 LEU 39 1.209 1.353 2.677 331 HD23 LEU 39 2HD2 LEU 39 0.430 2.522 1.611 332 H GLN 40 H GLN 40 4.442 3.498 5.874 333 HA GLN 40 HA GLN 40 3.412 1.881 7.994 334 HB2 GLN 40 2HB GLN 40 5.686 1.810 6.522 335 HB3 GLN 40 1HB GLN 40 6.290 2.552 7.998 336 HG2 GLN 40 2HG GLN 40 4.780 0.466 8.942 337 HG3 GLN 40 1HG GLN 40 5.494 -0.196 7.472 338 HE21 GLN 40 1HE2 GLN 40 6.692 2.084 9.908 339 HE22 GLN 40 2HE2 GLN 40 8.115 1.185 10.300 340 H ARG 41 H ARG 41 5.010 5.018 7.793 341 HA ARG 41 HA ARG 41 5.494 5.386 10.533 342 HB2 ARG 41 2HB ARG 41 6.114 6.789 8.319 343 HB3 ARG 41 1HB ARG 41 4.791 7.773 8.927 344 HG2 ARG 41 2HG ARG 41 5.915 8.227 10.945 345 HG3 ARG 41 1HG ARG 41 7.112 6.962 10.649 346 HD2 ARG 41 2HD ARG 41 7.435 8.510 8.446 347 HD3 ARG 41 1HD ARG 41 6.981 9.722 9.643 348 HE ARG 41 HE ARG 41 9.051 9.490 10.558 349 HH11 ARG 41 1HH1 ARG 41 8.324 6.581 8.773 350 HH12 ARG 41 2HH1 ARG 41 9.886 5.879 9.036 351 HH21 ARG 41 1HH2 ARG 41 11.105 8.569 10.906 352 HH22 ARG 41 2HH2 ARG 41 11.465 7.009 10.248 353 H LEU 42 H LEU 42 2.736 6.396 8.525 354 HA LEU 42 HA LEU 42 1.310 7.534 10.720 355 HB2 LEU 42 2HB LEU 42 -0.626 7.504 9.098 356 HB3 LEU 42 1HB LEU 42 0.788 8.415 8.604 357 HG LEU 42 HG LEU 42 1.199 5.872 7.531 358 HD11 LEU 42 1HD1 LEU 42 -1.415 6.514 6.419 359 HD12 LEU 42 2HD1 LEU 42 -1.482 5.972 8.096 360 HD13 LEU 42 3HD1 LEU 42 -0.723 4.956 6.870 361 HD21 LEU 42 3HD2 LEU 42 0.955 6.989 5.412 362 HD22 LEU 42 1HD2 LEU 42 1.745 8.081 6.550 363 HD23 LEU 42 2HD2 LEU 42 0.038 8.294 6.163 364 H TYR 43 H TYR 43 1.343 4.394 9.148 365 HA TYR 43 HA TYR 43 -0.554 3.431 11.188 366 HB2 TYR 43 2HB TYR 43 -0.275 2.705 8.285 367 HB3 TYR 43 1HB TYR 43 -0.986 1.570 9.428 368 HD1 TYR 43 2HD TYR 43 -2.530 3.374 11.174 369 HD2 TYR 43 1HD TYR 43 -2.047 3.398 6.948 370 HE1 TYR 43 2HE TYR 43 -4.703 4.499 10.939 371 HE2 TYR 43 1HE TYR 43 -4.220 4.523 6.700 372 HH TYR 43 HH TYR 43 -5.728 5.931 8.041 373 H SER 44 H SER 44 1.914 3.475 12.056 374 HA SER 44 HA SER 44 3.558 1.280 11.356 375 HB2 SER 44 2HB SER 44 3.685 2.400 14.114 376 HB3 SER 44 1HB SER 44 4.991 2.035 12.986 377 HG SER 44 HG SER 44 3.567 4.354 13.338 378 H VAL 45 H VAL 45 1.009 1.721 13.738 379 HA VAL 45 HA VAL 45 1.457 -0.795 15.035 380 HB VAL 45 HB VAL 45 0.402 1.098 16.209 381 HG11 VAL 45 1HG1 VAL 45 -1.600 2.045 15.637 382 HG12 VAL 45 2HG1 VAL 45 -2.178 0.597 14.814 383 HG13 VAL 45 3HG1 VAL 45 -0.984 1.635 14.036 384 HG21 VAL 45 3HG2 VAL 45 -1.716 -0.988 16.161 385 HG22 VAL 45 1HG2 VAL 45 -0.910 -0.224 17.531 386 HG23 VAL 45 2HG2 VAL 45 -0.078 -1.471 16.602 387 H ASP 46 H ASP 46 -0.547 0.354 12.407 388 HA ASP 46 HA ASP 46 -2.062 -2.111 12.269 389 HB2 ASP 46 2HB ASP 46 -2.610 0.475 11.530 390 HB3 ASP 46 1HB ASP 46 -2.244 -0.278 9.982 391 H TYR 47 H TYR 47 0.565 -0.538 10.525 392 HA TYR 47 HA TYR 47 0.795 -2.928 8.819 393 HB2 TYR 47 2HB TYR 47 1.486 -0.044 8.355 394 HB3 TYR 47 1HB TYR 47 2.291 -1.310 7.432 395 HD1 TYR 47 1HD TYR 47 0.560 -3.120 6.438 396 HD2 TYR 47 2HD TYR 47 -0.366 0.922 7.388 397 HE1 TYR 47 1HE TYR 47 -1.336 -3.193 4.875 398 HE2 TYR 47 2HE TYR 47 -2.266 0.860 5.829 399 HH TYR 47 HH TYR 47 -2.718 -1.669 3.582 400 H GLY 48 H GLY 48 2.795 -0.478 10.470 401 HA2 GLY 48 2HA GLY 48 5.275 -1.654 10.186 402 HA3 GLY 48 1HA GLY 48 4.803 -0.683 11.572 403 H ARG 49 H ARG 49 5.553 -3.806 10.426 404 HA ARG 49 HA ARG 49 4.884 -4.948 13.059 405 HB2 ARG 49 2HB ARG 49 3.855 -5.790 10.694 406 HB3 ARG 49 1HB ARG 49 5.283 -6.811 10.803 407 HG2 ARG 49 2HG ARG 49 3.810 -6.714 13.301 408 HG3 ARG 49 1HG ARG 49 2.826 -7.295 11.957 409 HD2 ARG 49 2HD ARG 49 4.577 -8.941 11.418 410 HD3 ARG 49 1HD ARG 49 5.508 -8.381 12.806 411 HE ARG 49 HE ARG 49 4.143 -9.609 14.167 412 HH11 ARG 49 1HH1 ARG 49 2.578 -9.224 11.072 413 HH12 ARG 49 2HH1 ARG 49 1.284 -10.310 11.450 414 HH21 ARG 49 1HH2 ARG 49 2.442 -11.038 14.667 415 HH22 ARG 49 2HH2 ARG 49 1.206 -11.339 13.492 416 H ARG 50 H ARG 50 6.994 -5.760 10.295 417 HA ARG 50 HA ARG 50 9.415 -5.354 11.645 418 HB2 ARG 50 2HB ARG 50 10.113 -7.632 12.130 419 HB3 ARG 50 1HB ARG 50 8.655 -7.242 13.030 420 HG2 ARG 50 2HG ARG 50 7.305 -8.522 11.526 421 HG3 ARG 50 1HG ARG 50 8.674 -8.779 10.444 422 HD2 ARG 50 2HD ARG 50 9.514 -10.443 11.700 423 HD3 ARG 50 1HD ARG 50 9.137 -9.620 13.214 424 HE ARG 50 HE ARG 50 6.731 -10.483 12.134 425 HH11 ARG 50 1HH1 ARG 50 9.679 -11.903 13.347 426 HH12 ARG 50 2HH1 ARG 50 8.908 -13.359 13.876 427 HH21 ARG 50 1HH2 ARG 50 5.714 -12.399 12.830 428 HH22 ARG 50 2HH2 ARG 50 6.656 -13.641 13.584 429 H LYS 51 H LYS 51 7.687 -7.249 9.225 430 HA LYS 51 HA LYS 51 9.920 -7.816 7.586 431 HB2 LYS 51 2HB LYS 51 6.995 -8.035 7.383 432 HB3 LYS 51 1HB LYS 51 7.810 -7.797 5.844 433 HG2 LYS 51 2HG LYS 51 8.410 -9.978 7.831 434 HG3 LYS 51 1HG LYS 51 7.491 -10.159 6.335 435 HD2 LYS 51 2HD LYS 51 9.463 -10.729 5.427 436 HD3 LYS 51 1HD LYS 51 9.794 -8.995 5.441 437 HE2 LYS 51 2HE LYS 51 11.309 -9.169 7.095 438 HE3 LYS 51 1HE LYS 51 10.369 -10.382 7.964 439 HZ1 LYS 51 3HZ LYS 51 12.568 -11.128 7.019 440 HZ2 LYS 51 1HZ LYS 51 11.862 -11.011 5.486 441 HZ3 LYS 51 2HZ LYS 51 11.233 -12.090 6.626 442 H ARG 52 H ARG 52 11.053 -5.811 7.491 443 HA ARG 52 HA ARG 52 9.923 -3.444 6.425 444 HB2 ARG 52 2HB ARG 52 12.704 -4.417 6.934 445 HB3 ARG 52 1HB ARG 52 12.471 -2.977 5.955 446 HG2 ARG 52 2HG ARG 52 11.035 -3.096 8.539 447 HG3 ARG 52 1HG ARG 52 12.788 -2.891 8.592 448 HD2 ARG 52 2HD ARG 52 11.828 -1.144 6.601 449 HD3 ARG 52 1HD ARG 52 10.754 -0.966 7.987 450 HE ARG 52 HE ARG 52 12.474 -0.006 9.166 451 HH11 ARG 52 1HH1 ARG 52 13.749 -1.482 6.271 452 HH12 ARG 52 2HH1 ARG 52 15.320 -0.779 6.455 453 HH21 ARG 52 1HH2 ARG 52 14.540 0.920 9.409 454 HH22 ARG 52 2HH2 ARG 52 15.771 0.585 8.236 455 H ASN 53 H ASN 53 11.770 -6.094 4.977 456 HA ASN 53 HA ASN 53 11.908 -4.926 2.385 457 HB2 ASN 53 2HB ASN 53 13.410 -6.758 3.335 458 HB3 ASN 53 1HB ASN 53 12.091 -7.876 2.996 459 HD21 ASN 53 1HD2 ASN 53 14.316 -5.578 1.544 460 HD22 ASN 53 2HD2 ASN 53 14.302 -6.280 -0.035 461 H ALA 54 H ALA 54 9.836 -7.447 3.804 462 HA ALA 54 HA ALA 54 8.334 -8.044 1.535 463 HB1 ALA 54 1HB ALA 54 8.376 -8.988 4.055 464 HB2 ALA 54 2HB ALA 54 7.091 -9.340 2.900 465 HB3 ALA 54 3HB ALA 54 6.876 -8.063 4.097 466 H PHE 55 H PHE 55 7.676 -5.663 4.098 467 HA PHE 55 HA PHE 55 5.250 -4.708 3.101 468 HB2 PHE 55 2HB PHE 55 6.303 -4.211 5.359 469 HB3 PHE 55 1HB PHE 55 7.292 -3.010 4.535 470 HD1 PHE 55 2HD PHE 55 3.682 -3.972 4.510 471 HD2 PHE 55 1HD PHE 55 6.571 -0.865 4.851 472 HE1 PHE 55 2HE PHE 55 1.874 -2.322 4.751 473 HE2 PHE 55 1HE PHE 55 4.767 0.791 5.094 474 HZ PHE 55 HZ PHE 55 2.415 0.063 5.045 475 H ARG 56 H ARG 56 8.568 -3.797 2.333 476 HA ARG 56 HA ARG 56 7.964 -1.538 0.757 477 HB2 ARG 56 2HB ARG 56 10.324 -3.372 0.980 478 HB3 ARG 56 1HB ARG 56 10.266 -2.178 -0.309 479 HG2 ARG 56 2HG ARG 56 9.701 -1.213 2.427 480 HG3 ARG 56 1HG ARG 56 11.361 -1.698 2.071 481 HD2 ARG 56 2HD ARG 56 9.755 0.256 0.430 482 HD3 ARG 56 1HD ARG 56 10.919 0.712 1.673 483 HE ARG 56 HE ARG 56 11.491 -0.173 -0.991 484 HH11 ARG 56 1HH1 ARG 56 12.725 0.001 2.269 485 HH12 ARG 56 2HH1 ARG 56 14.384 -0.075 1.778 486 HH21 ARG 56 1HH2 ARG 56 13.673 -0.272 -1.639 487 HH22 ARG 56 2HH2 ARG 56 14.923 -0.229 -0.440 488 H ILE 57 H ILE 57 8.317 -4.964 -0.019 489 HA ILE 57 HA ILE 57 8.131 -4.697 -2.826 490 HB ILE 57 HB ILE 57 7.293 -7.086 -1.181 491 HG12 ILE 57 2HG1 ILE 57 9.974 -6.946 -2.455 492 HG13 ILE 57 1HG1 ILE 57 9.735 -5.977 -1.006 493 HG21 ILE 57 1HG2 ILE 57 7.662 -6.569 -4.058 494 HG22 ILE 57 2HG2 ILE 57 6.623 -7.732 -3.235 495 HG23 ILE 57 3HG2 ILE 57 8.338 -8.083 -3.452 496 HD11 ILE 57 3HD1 ILE 57 10.299 -8.735 -1.208 497 HD12 ILE 57 1HD1 ILE 57 8.683 -8.566 -0.522 498 HD13 ILE 57 2HD1 ILE 57 10.056 -7.766 0.245 499 H GLN 58 H GLN 58 5.706 -5.243 -0.306 500 HA GLN 58 HA GLN 58 3.498 -5.676 -1.972 501 HB2 GLN 58 2HB GLN 58 3.922 -4.908 0.851 502 HB3 GLN 58 1HB GLN 58 2.361 -4.470 0.173 503 HG2 GLN 58 2HG GLN 58 1.680 -6.523 0.628 504 HG3 GLN 58 1HG GLN 58 2.766 -7.096 -0.637 505 HE21 GLN 58 1HE2 GLN 58 4.847 -7.840 -0.048 506 HE22 GLN 58 2HE2 GLN 58 5.169 -8.402 1.553 507 H VAL 59 H VAL 59 4.781 -2.672 -0.578 508 HA VAL 59 HA VAL 59 2.798 -0.978 -1.681 509 HB VAL 59 HB VAL 59 5.619 -0.210 -0.924 510 HG11 VAL 59 1HG1 VAL 59 4.118 1.390 -2.248 511 HG12 VAL 59 2HG1 VAL 59 4.860 1.996 -0.766 512 HG13 VAL 59 3HG1 VAL 59 3.164 1.509 -0.769 513 HG21 VAL 59 3HG2 VAL 59 3.826 -1.410 0.752 514 HG22 VAL 59 1HG2 VAL 59 3.483 0.300 1.011 515 HG23 VAL 59 2HG2 VAL 59 5.115 -0.319 1.259 516 H GLU 60 H GLU 60 5.841 -2.231 -2.870 517 HA GLU 60 HA GLU 60 6.172 -0.475 -5.055 518 HB2 GLU 60 2HB GLU 60 7.242 -3.147 -4.287 519 HB3 GLU 60 1HB GLU 60 7.421 -2.645 -5.963 520 HG2 GLU 60 2HG GLU 60 8.207 -0.677 -3.911 521 HG3 GLU 60 1HG GLU 60 9.220 -2.112 -4.061 522 H LYS 61 H LYS 61 4.692 -3.696 -4.811 523 HA LYS 61 HA LYS 61 3.853 -3.721 -7.549 524 HB2 LYS 61 2HB LYS 61 3.577 -5.497 -5.194 525 HB3 LYS 61 1HB LYS 61 2.319 -5.630 -6.416 526 HG2 LYS 61 2HG LYS 61 3.995 -7.248 -6.899 527 HG3 LYS 61 1HG LYS 61 4.101 -5.977 -8.118 528 HD2 LYS 61 2HD LYS 61 6.117 -5.225 -7.358 529 HD3 LYS 61 1HD LYS 61 5.783 -5.695 -5.689 530 HE2 LYS 61 2HE LYS 61 7.295 -7.311 -6.165 531 HE3 LYS 61 1HE LYS 61 5.869 -8.121 -6.813 532 HZ1 LYS 61 3HZ LYS 61 6.576 -6.809 -8.958 533 HZ2 LYS 61 1HZ LYS 61 7.270 -8.304 -8.575 534 HZ3 LYS 61 2HZ LYS 61 8.102 -6.872 -8.231 535 H VAL 62 H VAL 62 2.443 -2.769 -4.496 536 HA VAL 62 HA VAL 62 -0.236 -2.562 -5.475 537 HB VAL 62 HB VAL 62 1.136 -1.659 -2.962 538 HG11 VAL 62 1HG1 VAL 62 -1.387 -1.069 -2.347 539 HG12 VAL 62 2HG1 VAL 62 -1.429 -0.663 -4.064 540 HG13 VAL 62 3HG1 VAL 62 -0.269 0.130 -2.998 541 HG21 VAL 62 3HG2 VAL 62 -1.162 -3.077 -2.365 542 HG22 VAL 62 1HG2 VAL 62 0.482 -3.712 -2.387 543 HG23 VAL 62 2HG2 VAL 62 -0.542 -3.867 -3.815 544 H PHE 63 H PHE 63 2.522 -0.417 -5.274 545 HA PHE 63 HA PHE 63 1.081 1.987 -5.773 546 HB2 PHE 63 2HB PHE 63 3.355 1.884 -4.737 547 HB3 PHE 63 1HB PHE 63 4.005 1.430 -6.310 548 HD1 PHE 63 1HD PHE 63 1.888 4.086 -4.766 549 HD2 PHE 63 2HD PHE 63 4.861 3.089 -7.642 550 HE1 PHE 63 1HE PHE 63 2.113 6.466 -5.351 551 HE2 PHE 63 2HE PHE 63 5.093 5.466 -8.233 552 HZ PHE 63 HZ PHE 63 3.719 7.157 -7.087 553 H SER 64 H SER 64 2.769 -0.343 -7.817 554 HA SER 64 HA SER 64 2.417 1.160 -10.225 555 HB2 SER 64 2HB SER 64 2.928 -1.802 -10.149 556 HB3 SER 64 1HB SER 64 3.491 -0.612 -11.322 557 HG SER 64 HG SER 64 4.729 0.288 -9.504 558 H ILE 65 H ILE 65 0.619 -1.349 -8.564 559 HA ILE 65 HA ILE 65 -1.115 -1.919 -10.771 560 HB ILE 65 HB ILE 65 -0.576 -3.500 -8.870 561 HG12 ILE 65 2HG1 ILE 65 -3.524 -3.065 -9.387 562 HG13 ILE 65 1HG1 ILE 65 -2.422 -3.806 -10.544 563 HG21 ILE 65 1HG2 ILE 65 -1.780 -3.367 -6.826 564 HG22 ILE 65 2HG2 ILE 65 -2.728 -1.995 -7.402 565 HG23 ILE 65 3HG2 ILE 65 -1.005 -1.805 -7.084 566 HD11 ILE 65 3HD1 ILE 65 -3.045 -4.858 -7.796 567 HD12 ILE 65 1HD1 ILE 65 -1.973 -5.608 -8.978 568 HD13 ILE 65 2HD1 ILE 65 -3.699 -5.472 -9.315 569 H ILE 66 H ILE 66 -1.438 0.007 -7.795 570 HA ILE 66 HA ILE 66 -4.110 0.709 -8.018 571 HB ILE 66 HB ILE 66 -3.551 2.770 -6.769 572 HG12 ILE 66 2HG1 ILE 66 -0.695 1.825 -7.080 573 HG13 ILE 66 1HG1 ILE 66 -1.392 3.237 -7.866 574 HG21 ILE 66 1HG2 ILE 66 -2.671 0.069 -5.938 575 HG22 ILE 66 2HG2 ILE 66 -3.910 1.121 -5.255 576 HG23 ILE 66 3HG2 ILE 66 -2.207 1.426 -4.910 577 HD11 ILE 66 3HD1 ILE 66 -1.955 3.882 -5.368 578 HD12 ILE 66 1HD1 ILE 66 -0.396 4.249 -6.104 579 HD13 ILE 66 2HD1 ILE 66 -0.567 2.841 -5.054 580 H SER 67 H SER 67 -1.315 2.015 -9.690 581 HA SER 67 HA SER 67 -2.709 4.237 -10.828 582 HB2 SER 67 2HB SER 67 -0.284 3.236 -12.198 583 HB3 SER 67 1HB SER 67 -0.682 4.864 -11.650 584 HG SER 67 HG SER 67 0.889 3.082 -10.476 585 H SER 68 H SER 68 -1.662 1.073 -12.068 586 HA SER 68 HA SER 68 -2.785 1.500 -14.657 587 HB2 SER 68 2HB SER 68 -1.457 -0.749 -13.239 588 HB3 SER 68 1HB SER 68 -2.477 -1.157 -14.619 589 HG SER 68 HG SER 68 -0.015 -0.314 -14.698 590 H GLU 69 H GLU 69 -3.776 -0.515 -11.888 591 HA GLU 69 HA GLU 69 -6.112 -1.509 -13.094 592 HB2 GLU 69 2HB GLU 69 -5.039 -1.405 -10.327 593 HB3 GLU 69 1HB GLU 69 -6.756 -1.731 -10.514 594 HG2 GLU 69 2HG GLU 69 -5.784 -3.459 -12.311 595 HG3 GLU 69 1HG GLU 69 -4.422 -3.399 -11.193 596 H LYS 70 H LYS 70 -5.680 1.188 -10.798 597 HA LYS 70 HA LYS 70 -8.468 1.887 -10.944 598 HB2 LYS 70 2HB LYS 70 -6.305 3.633 -9.798 599 HB3 LYS 70 1HB LYS 70 -8.003 3.562 -9.353 600 HG2 LYS 70 2HG LYS 70 -5.988 1.380 -8.856 601 HG3 LYS 70 1HG LYS 70 -6.546 2.551 -7.660 602 HD2 LYS 70 2HD LYS 70 -8.715 1.151 -9.031 603 HD3 LYS 70 1HD LYS 70 -7.651 0.080 -8.117 604 HE2 LYS 70 2HE LYS 70 -8.061 1.240 -6.099 605 HE3 LYS 70 1HE LYS 70 -8.814 2.592 -6.943 606 HZ1 LYS 70 3HZ LYS 70 -10.592 1.401 -6.085 607 HZ2 LYS 70 1HZ LYS 70 -9.905 -0.105 -6.441 608 HZ3 LYS 70 2HZ LYS 70 -10.520 0.860 -7.686 609 H GLU 71 H GLU 71 -5.448 3.161 -12.272 610 HA GLU 71 HA GLU 71 -5.045 4.580 -14.008 611 HB2 GLU 71 2HB GLU 71 -7.625 3.422 -14.609 612 HB3 GLU 71 1HB GLU 71 -7.543 5.078 -15.190 613 HG2 GLU 71 2HG GLU 71 -5.400 3.067 -15.785 614 HG3 GLU 71 1HG GLU 71 -6.836 3.250 -16.793 615 H LEU 72 H LEU 72 -4.691 6.108 -12.224 616 HA LEU 72 HA LEU 72 -6.780 8.156 -11.988 617 HB2 LEU 72 2HB LEU 72 -5.239 6.951 -10.066 618 HB3 LEU 72 1HB LEU 72 -4.370 8.448 -10.340 619 HG LEU 72 HG LEU 72 -7.290 8.254 -9.598 620 HD11 LEU 72 1HD1 LEU 72 -6.322 9.398 -7.485 621 HD12 LEU 72 2HD1 LEU 72 -4.801 8.667 -7.997 622 HD13 LEU 72 3HD1 LEU 72 -6.197 7.646 -7.655 623 HD21 LEU 72 3HD2 LEU 72 -7.402 10.542 -9.647 624 HD22 LEU 72 1HD2 LEU 72 -6.303 10.247 -10.993 625 HD23 LEU 72 2HD2 LEU 72 -5.665 10.743 -9.426 626 H LYS 73 H LYS 73 -5.316 8.004 -14.398 627 HA LYS 73 HA LYS 73 -3.443 10.253 -14.244 628 HB2 LYS 73 2HB LYS 73 -3.840 7.983 -16.113 629 HB3 LYS 73 1HB LYS 73 -3.295 9.498 -16.822 630 HG2 LYS 73 2HG LYS 73 -1.479 9.482 -15.028 631 HG3 LYS 73 1HG LYS 73 -1.927 7.795 -14.771 632 HD2 LYS 73 2HD LYS 73 -0.370 7.417 -16.360 633 HD3 LYS 73 1HD LYS 73 -1.690 7.826 -17.458 634 HE2 LYS 73 2HE LYS 73 -0.266 10.168 -16.479 635 HE3 LYS 73 1HE LYS 73 0.782 9.049 -17.349 636 HZ1 LYS 73 3HZ LYS 73 -1.303 9.117 -18.985 637 HZ2 LYS 73 1HZ LYS 73 0.001 10.187 -19.111 638 HZ3 LYS 73 2HZ LYS 73 -1.418 10.674 -18.332 639 H ASN 74 H ASN 74 -3.616 12.021 -15.722 640 HA ASN 74 HA ASN 74 -6.395 12.547 -16.537 641 HB2 ASN 74 2HB ASN 74 -4.610 14.063 -14.963 642 HB3 ASN 74 1HB ASN 74 -4.761 14.920 -16.493 643 HD21 ASN 74 1HD2 ASN 74 -5.700 15.707 -13.879 644 HD22 ASN 74 2HD2 ASN 74 -7.412 15.905 -14.010 Start of MODEL 15 1 H MET 1 H MET 1 -22.913 -11.507 8.811 2 HA MET 1 HA MET 1 -21.377 -10.149 9.776 3 HB2 MET 1 2HB MET 1 -21.029 -12.967 9.711 4 HB3 MET 1 1HB MET 1 -19.425 -12.249 9.761 5 HG2 MET 1 2HG MET 1 -19.683 -11.479 11.859 6 HG3 MET 1 1HG MET 1 -21.395 -11.122 11.636 7 HE1 MET 1 2HE MET 1 -19.831 -14.657 10.781 8 HE2 MET 1 3HE MET 1 -19.790 -15.382 12.389 9 HE3 MET 1 1HE MET 1 -18.777 -13.985 12.025 10 H LYS 2 H LYS 2 -20.213 -11.543 6.793 11 HA LYS 2 HA LYS 2 -17.786 -9.926 6.864 12 HB2 LYS 2 2HB LYS 2 -17.138 -11.129 4.849 13 HB3 LYS 2 1HB LYS 2 -17.631 -12.261 6.101 14 HG2 LYS 2 2HG LYS 2 -19.887 -12.339 4.992 15 HG3 LYS 2 1HG LYS 2 -19.171 -11.431 3.658 16 HD2 LYS 2 2HD LYS 2 -17.932 -13.199 2.940 17 HD3 LYS 2 1HD LYS 2 -17.730 -13.855 4.566 18 HE2 LYS 2 2HE LYS 2 -19.961 -14.736 4.550 19 HE3 LYS 2 1HE LYS 2 -20.316 -13.932 3.021 20 HZ1 LYS 2 3HZ LYS 2 -18.196 -15.376 2.333 21 HZ2 LYS 2 1HZ LYS 2 -19.786 -15.941 2.195 22 HZ3 LYS 2 2HZ LYS 2 -18.844 -16.383 3.529 23 HA PRO 3 HA PRO 3 -19.673 -6.747 4.404 24 HB2 PRO 3 2HB PRO 3 -17.472 -5.363 3.715 25 HB3 PRO 3 1HB PRO 3 -18.084 -5.377 5.374 26 HG2 PRO 3 2HG PRO 3 -15.834 -6.944 4.171 27 HG3 PRO 3 1HG PRO 3 -15.909 -6.114 5.737 28 HD2 PRO 3 2HD PRO 3 -16.285 -8.804 5.433 29 HD3 PRO 3 1HD PRO 3 -17.011 -7.854 6.744 30 H ARG 4 H ARG 4 -19.423 -5.727 2.198 31 HA ARG 4 HA ARG 4 -19.358 -7.754 0.225 32 HB2 ARG 4 2HB ARG 4 -20.813 -5.822 -0.005 33 HB3 ARG 4 1HB ARG 4 -19.426 -4.746 -0.065 34 HG2 ARG 4 2HG ARG 4 -18.748 -6.179 -2.131 35 HG3 ARG 4 1HG ARG 4 -20.454 -6.628 -2.136 36 HD2 ARG 4 2HD ARG 4 -20.194 -4.754 -3.587 37 HD3 ARG 4 1HD ARG 4 -21.014 -4.194 -2.131 38 HE ARG 4 HE ARG 4 -19.210 -2.862 -1.663 39 HH11 ARG 4 1HH1 ARG 4 -18.305 -5.177 -4.112 40 HH12 ARG 4 2HH1 ARG 4 -16.776 -4.429 -4.432 41 HH21 ARG 4 1HH2 ARG 4 -17.201 -1.877 -2.082 42 HH22 ARG 4 2HH2 ARG 4 -16.149 -2.556 -3.279 43 HA PRO 5 HA PRO 5 -15.261 -5.641 -1.299 44 HB2 PRO 5 2HB PRO 5 -13.940 -4.117 0.543 45 HB3 PRO 5 1HB PRO 5 -15.067 -3.453 -0.646 46 HG2 PRO 5 2HG PRO 5 -15.532 -4.129 2.233 47 HG3 PRO 5 1HG PRO 5 -16.061 -2.705 1.319 48 HD2 PRO 5 2HD PRO 5 -17.725 -4.748 1.849 49 HD3 PRO 5 1HD PRO 5 -17.818 -3.836 0.330 50 H GLY 6 H GLY 6 -13.648 -7.079 -1.306 51 HA2 GLY 6 2HA GLY 6 -13.145 -8.615 1.136 52 HA3 GLY 6 1HA GLY 6 -12.675 -9.078 -0.492 53 H VAL 7 H VAL 7 -10.988 -9.153 1.787 54 HA VAL 7 HA VAL 7 -9.105 -6.955 1.269 55 HB VAL 7 HB VAL 7 -9.063 -8.900 3.578 56 HG11 VAL 7 1HG1 VAL 7 -6.896 -7.976 3.184 57 HG12 VAL 7 2HG1 VAL 7 -7.585 -7.156 4.584 58 HG13 VAL 7 3HG1 VAL 7 -7.560 -6.351 3.015 59 HG21 VAL 7 3HG2 VAL 7 -9.779 -6.102 4.099 60 HG22 VAL 7 1HG2 VAL 7 -10.443 -7.589 4.775 61 HG23 VAL 7 2HG2 VAL 7 -10.987 -7.018 3.198 62 H PHE 8 H PHE 8 -9.579 -10.348 0.907 63 HA PHE 8 HA PHE 8 -8.335 -11.987 -0.050 64 HB2 PHE 8 2HB PHE 8 -7.144 -9.501 -1.149 65 HB3 PHE 8 1HB PHE 8 -6.193 -10.973 -1.320 66 HD1 PHE 8 2HD PHE 8 -9.549 -9.539 -1.999 67 HD2 PHE 8 1HD PHE 8 -6.653 -12.485 -3.026 68 HE1 PHE 8 2HE PHE 8 -10.895 -10.175 -3.958 69 HE2 PHE 8 1HE PHE 8 -7.995 -13.125 -4.987 70 HZ PHE 8 HZ PHE 8 -10.119 -11.970 -5.455 71 H VAL 9 H VAL 9 -5.585 -9.841 0.525 72 HA VAL 9 HA VAL 9 -4.790 -11.268 2.911 73 HB VAL 9 HB VAL 9 -2.978 -11.370 0.495 74 HG11 VAL 9 1HG1 VAL 9 -1.385 -12.260 1.818 75 HG12 VAL 9 2HG1 VAL 9 -2.549 -13.131 2.817 76 HG13 VAL 9 3HG1 VAL 9 -2.261 -11.412 3.093 77 HG21 VAL 9 3HG2 VAL 9 -4.817 -12.852 0.077 78 HG22 VAL 9 1HG2 VAL 9 -4.709 -13.520 1.706 79 HG23 VAL 9 2HG2 VAL 9 -3.419 -13.820 0.542 80 H ASP 10 H ASP 10 -3.760 -9.060 0.332 81 HA ASP 10 HA ASP 10 -2.827 -7.196 2.397 82 HB2 ASP 10 2HB ASP 10 -1.138 -8.615 0.623 83 HB3 ASP 10 1HB ASP 10 -1.176 -6.948 0.057 84 H ARG 11 H ARG 11 -5.206 -7.474 0.535 85 HA ARG 11 HA ARG 11 -5.105 -5.575 -1.506 86 HB2 ARG 11 2HB ARG 11 -6.942 -7.279 -0.980 87 HB3 ARG 11 1HB ARG 11 -7.555 -6.096 0.167 88 HG2 ARG 11 2HG ARG 11 -8.731 -5.248 -1.510 89 HG3 ARG 11 1HG ARG 11 -7.207 -4.642 -2.160 90 HD2 ARG 11 2HD ARG 11 -7.495 -7.398 -2.862 91 HD3 ARG 11 1HD ARG 11 -8.967 -6.535 -3.301 92 HE ARG 11 HE ARG 11 -7.796 -5.410 -4.921 93 HH11 ARG 11 1HH1 ARG 11 -5.546 -7.023 -2.793 94 HH12 ARG 11 2HH1 ARG 11 -4.174 -6.706 -3.800 95 HH21 ARG 11 1HH2 ARG 11 -5.992 -4.995 -6.247 96 HH22 ARG 11 2HH2 ARG 11 -4.427 -5.555 -5.760 97 H LYS 12 H LYS 12 -5.493 -5.196 1.944 98 HA LYS 12 HA LYS 12 -6.574 -2.647 2.090 99 HB2 LYS 12 2HB LYS 12 -4.749 -4.221 3.858 100 HB3 LYS 12 1HB LYS 12 -5.041 -2.527 4.229 101 HG2 LYS 12 2HG LYS 12 -7.304 -2.877 4.637 102 HG3 LYS 12 1HG LYS 12 -7.315 -4.421 3.782 103 HD2 LYS 12 2HD LYS 12 -7.182 -5.325 5.833 104 HD3 LYS 12 1HD LYS 12 -5.476 -4.884 5.744 105 HE2 LYS 12 2HE LYS 12 -5.850 -2.871 6.956 106 HE3 LYS 12 1HE LYS 12 -7.600 -3.047 6.829 107 HZ1 LYS 12 3HZ LYS 12 -5.755 -4.260 8.692 108 HZ2 LYS 12 1HZ LYS 12 -6.899 -5.332 8.053 109 HZ3 LYS 12 2HZ LYS 12 -7.407 -3.935 8.860 110 H LEU 13 H LEU 13 -3.246 -3.641 1.493 111 HA LEU 13 HA LEU 13 -1.973 -1.181 1.799 112 HB2 LEU 13 2HB LEU 13 -1.079 -3.606 1.237 113 HB3 LEU 13 1HB LEU 13 -1.140 -3.006 -0.409 114 HG LEU 13 HG LEU 13 1.085 -2.697 0.409 115 HD11 LEU 13 1HD1 LEU 13 0.044 -0.870 -0.947 116 HD12 LEU 13 2HD1 LEU 13 1.395 -0.361 0.066 117 HD13 LEU 13 3HD1 LEU 13 -0.260 -0.009 0.562 118 HD21 LEU 13 3HD2 LEU 13 0.812 -2.801 2.757 119 HD22 LEU 13 1HD2 LEU 13 -0.242 -1.387 2.769 120 HD23 LEU 13 2HD2 LEU 13 1.474 -1.205 2.404 121 H LYS 14 H LYS 14 -3.658 -2.552 -0.985 122 HA LYS 14 HA LYS 14 -3.060 -0.351 -2.715 123 HB2 LYS 14 2HB LYS 14 -3.557 -2.659 -3.523 124 HB3 LYS 14 1HB LYS 14 -5.222 -2.443 -3.002 125 HG2 LYS 14 2HG LYS 14 -4.959 -0.273 -4.552 126 HG3 LYS 14 1HG LYS 14 -3.811 -1.352 -5.349 127 HD2 LYS 14 2HD LYS 14 -5.794 -1.830 -6.450 128 HD3 LYS 14 1HD LYS 14 -5.734 -3.088 -5.213 129 HE2 LYS 14 2HE LYS 14 -7.257 -1.853 -3.814 130 HE3 LYS 14 1HE LYS 14 -7.224 -0.483 -4.924 131 HZ1 LYS 14 3HZ LYS 14 -8.665 -2.999 -5.124 132 HZ2 LYS 14 1HZ LYS 14 -8.007 -2.410 -6.568 133 HZ3 LYS 14 2HZ LYS 14 -9.090 -1.460 -5.683 134 H GLN 15 H GLN 15 -6.008 -1.445 -1.047 135 HA GLN 15 HA GLN 15 -7.666 0.666 -1.806 136 HB2 GLN 15 2HB GLN 15 -8.452 -1.427 -0.747 137 HB3 GLN 15 1HB GLN 15 -7.747 -0.903 0.776 138 HG2 GLN 15 2HG GLN 15 -9.612 0.163 1.278 139 HG3 GLN 15 1HG GLN 15 -9.423 1.180 -0.150 140 HE21 GLN 15 1HE2 GLN 15 -9.736 -0.752 -2.126 141 HE22 GLN 15 2HE2 GLN 15 -11.370 -1.313 -2.101 142 H ARG 16 H ARG 16 -5.531 0.338 1.005 143 HA ARG 16 HA ARG 16 -6.269 2.783 2.220 144 HB2 ARG 16 2HB ARG 16 -4.947 0.748 3.180 145 HB3 ARG 16 1HB ARG 16 -3.539 1.582 2.537 146 HG2 ARG 16 2HG ARG 16 -3.691 2.232 4.784 147 HG3 ARG 16 1HG ARG 16 -4.304 3.603 3.856 148 HD2 ARG 16 2HD ARG 16 -5.736 3.202 5.761 149 HD3 ARG 16 1HD ARG 16 -6.603 2.824 4.274 150 HE ARG 16 HE ARG 16 -5.537 0.440 5.070 151 HH11 ARG 16 1HH1 ARG 16 -7.618 2.821 6.548 152 HH12 ARG 16 2HH1 ARG 16 -8.452 1.666 7.532 153 HH21 ARG 16 1HH2 ARG 16 -6.632 -1.082 6.363 154 HH22 ARG 16 2HH2 ARG 16 -7.892 -0.551 7.428 155 H VAL 17 H VAL 17 -3.661 1.899 -0.010 156 HA VAL 17 HA VAL 17 -2.401 4.426 -0.037 157 HB VAL 17 HB VAL 17 -2.355 2.082 -1.918 158 HG11 VAL 17 1HG1 VAL 17 -0.329 3.481 -2.905 159 HG12 VAL 17 2HG1 VAL 17 -1.361 4.832 -2.431 160 HG13 VAL 17 3HG1 VAL 17 -1.963 3.615 -3.557 161 HG21 VAL 17 3HG2 VAL 17 -0.412 1.531 -0.911 162 HG22 VAL 17 1HG2 VAL 17 -1.070 2.504 0.405 163 HG23 VAL 17 2HG2 VAL 17 0.089 3.213 -0.721 164 H ILE 18 H ILE 18 -4.698 2.947 -2.345 165 HA ILE 18 HA ILE 18 -4.905 5.088 -4.099 166 HB ILE 18 HB ILE 18 -7.064 4.200 -4.786 167 HG12 ILE 18 2HG1 ILE 18 -6.848 2.376 -2.381 168 HG13 ILE 18 1HG1 ILE 18 -7.959 3.734 -2.523 169 HG21 ILE 18 1HG2 ILE 18 -5.802 1.627 -4.359 170 HG22 ILE 18 2HG2 ILE 18 -4.641 2.862 -4.846 171 HG23 ILE 18 3HG2 ILE 18 -6.050 2.532 -5.852 172 HD11 ILE 18 3HD1 ILE 18 -9.166 1.741 -2.977 173 HD12 ILE 18 1HD1 ILE 18 -7.954 1.202 -4.138 174 HD13 ILE 18 2HD1 ILE 18 -8.962 2.602 -4.502 175 H GLN 19 H GLN 19 -6.551 4.531 -1.037 176 HA GLN 19 HA GLN 19 -8.347 6.732 -1.289 177 HB2 GLN 19 2HB GLN 19 -7.456 5.047 1.044 178 HB3 GLN 19 1HB GLN 19 -8.573 6.392 1.238 179 HG2 GLN 19 2HG GLN 19 -9.518 4.787 -0.895 180 HG3 GLN 19 1HG GLN 19 -9.116 3.721 0.449 181 HE21 GLN 19 1HE2 GLN 19 -11.574 5.298 -0.893 182 HE22 GLN 19 2HE2 GLN 19 -12.548 5.625 0.496 183 H TYR 20 H TYR 20 -5.100 6.325 -0.071 184 HA TYR 20 HA TYR 20 -4.997 8.817 1.323 185 HB2 TYR 20 2HB TYR 20 -3.037 6.699 0.582 186 HB3 TYR 20 1HB TYR 20 -2.410 8.289 1.004 187 HD1 TYR 20 2HD TYR 20 -4.198 9.155 3.139 188 HD2 TYR 20 1HD TYR 20 -2.558 5.304 2.374 189 HE1 TYR 20 2HE TYR 20 -4.400 8.601 5.526 190 HE2 TYR 20 1HE TYR 20 -2.757 4.740 4.760 191 HH TYR 20 HH TYR 20 -4.410 5.685 6.743 192 H LEU 21 H LEU 21 -4.027 7.734 -1.904 193 HA LEU 21 HA LEU 21 -2.769 10.204 -2.603 194 HB2 LEU 21 2HB LEU 21 -3.866 8.356 -4.675 195 HB3 LEU 21 1HB LEU 21 -2.386 9.293 -4.695 196 HG LEU 21 HG LEU 21 -2.375 7.236 -2.623 197 HD11 LEU 21 1HD1 LEU 21 -1.975 5.942 -5.195 198 HD12 LEU 21 2HD1 LEU 21 -3.647 6.434 -4.930 199 HD13 LEU 21 3HD1 LEU 21 -2.845 5.382 -3.768 200 HD21 LEU 21 3HD2 LEU 21 -0.454 8.620 -3.539 201 HD22 LEU 21 1HD2 LEU 21 -0.518 7.572 -4.956 202 HD23 LEU 21 2HD2 LEU 21 -0.178 6.885 -3.368 203 H SER 22 H SER 22 -5.914 8.739 -3.352 204 HA SER 22 HA SER 22 -6.903 10.790 -4.976 205 HB2 SER 22 2HB SER 22 -8.451 8.935 -3.150 206 HB3 SER 22 1HB SER 22 -9.128 9.865 -4.486 207 HG SER 22 HG SER 22 -7.576 7.563 -4.522 208 H SER 23 H SER 23 -7.326 10.263 -1.480 209 HA SER 23 HA SER 23 -8.878 12.551 -0.993 210 HB2 SER 23 2HB SER 23 -8.314 10.495 0.535 211 HB3 SER 23 1HB SER 23 -6.972 11.506 1.072 212 HG SER 23 HG SER 23 -9.730 12.176 1.146 213 H ASN 24 H ASN 24 -5.380 12.048 -0.969 214 HA ASN 24 HA ASN 24 -4.948 14.869 -1.394 215 HB2 ASN 24 2HB ASN 24 -3.411 15.121 0.540 216 HB3 ASN 24 1HB ASN 24 -5.081 14.851 1.029 217 HD21 ASN 24 1HD2 ASN 24 -5.670 12.808 1.855 218 HD22 ASN 24 2HD2 ASN 24 -4.488 11.751 2.540 219 H ARG 25 H ARG 25 -2.673 15.362 -1.851 220 HA ARG 25 HA ARG 25 -1.524 13.475 -3.585 221 HB2 ARG 25 2HB ARG 25 0.392 15.023 -3.689 222 HB3 ARG 25 1HB ARG 25 -1.144 15.859 -3.866 223 HG2 ARG 25 2HG ARG 25 -0.960 16.305 -1.344 224 HG3 ARG 25 1HG ARG 25 0.736 15.857 -1.538 225 HD2 ARG 25 2HD ARG 25 0.132 17.652 -3.623 226 HD3 ARG 25 1HD ARG 25 -0.567 18.333 -2.155 227 HE ARG 25 HE ARG 25 1.940 17.607 -1.402 228 HH11 ARG 25 1HH1 ARG 25 0.663 19.589 -3.975 229 HH12 ARG 25 2HH1 ARG 25 2.051 20.622 -4.037 230 HH21 ARG 25 1HH2 ARG 25 3.765 18.965 -1.480 231 HH22 ARG 25 2HH2 ARG 25 3.813 20.268 -2.621 232 H CYS 26 H CYS 26 -0.575 14.504 -0.319 233 HA CYS 26 HA CYS 26 0.698 13.514 1.281 234 HB2 CYS 26 2HB CYS 26 -0.902 11.545 0.379 235 HB3 CYS 26 1HB CYS 26 0.663 10.853 -0.032 236 HG CYS 26 HG CYS 26 1.271 10.766 2.451 237 H GLY 27 H GLY 27 2.155 14.827 -0.574 238 HA2 GLY 27 2HA GLY 27 4.645 14.647 -0.440 239 HA3 GLY 27 1HA GLY 27 4.442 13.022 -1.073 240 H LYS 28 H LYS 28 2.157 14.583 -2.702 241 HA LYS 28 HA LYS 28 1.953 15.524 -4.766 242 HB2 LYS 28 2HB LYS 28 3.734 17.121 -3.705 243 HB3 LYS 28 1HB LYS 28 4.849 16.295 -4.784 244 HG2 LYS 28 2HG LYS 28 2.999 16.877 -6.573 245 HG3 LYS 28 1HG LYS 28 2.620 18.150 -5.411 246 HD2 LYS 28 2HD LYS 28 5.458 17.711 -6.224 247 HD3 LYS 28 1HD LYS 28 4.369 18.564 -7.321 248 HE2 LYS 28 2HE LYS 28 4.199 19.487 -4.556 249 HE3 LYS 28 1HE LYS 28 5.798 19.701 -5.269 250 HZ1 LYS 28 3HZ LYS 28 3.550 20.498 -6.927 251 HZ2 LYS 28 1HZ LYS 28 5.049 21.248 -6.699 252 HZ3 LYS 28 2HZ LYS 28 3.820 21.449 -5.554 253 H TYR 29 H TYR 29 5.324 14.356 -4.707 254 HA TYR 29 HA TYR 29 4.633 12.576 -6.953 255 HB2 TYR 29 2HB TYR 29 6.782 14.524 -6.636 256 HB3 TYR 29 1HB TYR 29 7.386 12.928 -7.067 257 HD1 TYR 29 1HD TYR 29 4.393 14.938 -8.074 258 HD2 TYR 29 2HD TYR 29 7.843 12.782 -9.317 259 HE1 TYR 29 1HE TYR 29 3.799 15.355 -10.423 260 HE2 TYR 29 2HE TYR 29 7.260 13.193 -11.671 261 HH TYR 29 HH TYR 29 5.960 14.709 -13.009 262 H VAL 30 H VAL 30 4.309 11.785 -4.293 263 HA VAL 30 HA VAL 30 6.464 10.482 -3.110 264 HB VAL 30 HB VAL 30 4.298 10.804 -1.990 265 HG11 VAL 30 1HG1 VAL 30 3.257 8.492 -3.608 266 HG12 VAL 30 2HG1 VAL 30 2.950 10.176 -4.035 267 HG13 VAL 30 3HG1 VAL 30 2.370 9.536 -2.497 268 HG21 VAL 30 3HG2 VAL 30 4.140 8.158 -1.369 269 HG22 VAL 30 1HG2 VAL 30 5.320 9.282 -0.695 270 HG23 VAL 30 2HG2 VAL 30 5.757 8.262 -2.065 271 H ASP 31 H ASP 31 7.708 8.897 -3.836 272 HA ASP 31 HA ASP 31 6.805 7.222 -6.034 273 HB2 ASP 31 2HB ASP 31 9.249 8.329 -5.397 274 HB3 ASP 31 1HB ASP 31 9.454 6.646 -4.920 275 H THR 32 H THR 32 7.945 4.858 -5.757 276 HA THR 32 HA THR 32 6.273 3.451 -4.015 277 HB THR 32 HB THR 32 7.813 1.512 -4.482 278 HG1 THR 32 1HG THR 32 9.772 2.277 -4.846 279 HG21 THR 32 3HG2 THR 32 6.107 1.633 -6.038 280 HG22 THR 32 1HG2 THR 32 7.562 1.656 -7.034 281 HG23 THR 32 2HG2 THR 32 6.692 3.155 -6.709 282 H GLY 33 H GLY 33 9.800 3.949 -3.746 283 HA2 GLY 33 2HA GLY 33 10.065 2.835 -1.184 284 HA3 GLY 33 1HA GLY 33 11.183 3.978 -1.914 285 H ILE 34 H ILE 34 9.180 6.073 -2.205 286 HA ILE 34 HA ILE 34 9.456 7.254 0.385 287 HB ILE 34 HB ILE 34 7.808 8.270 -1.931 288 HG12 ILE 34 2HG1 ILE 34 10.720 8.783 -1.284 289 HG13 ILE 34 1HG1 ILE 34 10.125 7.819 -2.631 290 HG21 ILE 34 1HG2 ILE 34 8.561 10.487 -0.799 291 HG22 ILE 34 2HG2 ILE 34 8.812 9.464 0.616 292 HG23 ILE 34 3HG2 ILE 34 7.214 9.573 -0.121 293 HD11 ILE 34 3HD1 ILE 34 9.564 9.633 -3.855 294 HD12 ILE 34 1HD1 ILE 34 10.834 10.367 -2.875 295 HD13 ILE 34 2HD1 ILE 34 9.140 10.596 -2.440 296 H LEU 35 H LEU 35 6.718 6.058 -1.531 297 HA LEU 35 HA LEU 35 4.683 6.754 0.266 298 HB2 LEU 35 2HB LEU 35 4.605 5.837 -2.185 299 HB3 LEU 35 1HB LEU 35 4.515 4.274 -1.397 300 HG LEU 35 HG LEU 35 2.554 6.547 -1.099 301 HD11 LEU 35 1HD1 LEU 35 1.936 5.588 -3.071 302 HD12 LEU 35 2HD1 LEU 35 1.080 4.527 -1.952 303 HD13 LEU 35 3HD1 LEU 35 2.617 4.016 -2.650 304 HD21 LEU 35 3HD2 LEU 35 2.481 5.602 0.999 305 HD22 LEU 35 1HD2 LEU 35 2.908 3.997 0.409 306 HD23 LEU 35 2HD2 LEU 35 1.286 4.633 0.137 307 H ALA 36 H ALA 36 6.736 3.896 0.055 308 HA ALA 36 HA ALA 36 5.412 2.276 1.909 309 HB1 ALA 36 1HB ALA 36 7.147 0.858 1.653 310 HB2 ALA 36 2HB ALA 36 8.354 2.122 1.892 311 HB3 ALA 36 3HB ALA 36 7.564 1.943 0.326 312 H SER 37 H SER 37 7.987 4.671 2.382 313 HA SER 37 HA SER 37 8.310 4.257 5.150 314 HB2 SER 37 2HB SER 37 8.756 6.913 3.800 315 HB3 SER 37 1HB SER 37 9.645 6.201 5.147 316 HG SER 37 HG SER 37 10.808 5.057 3.791 317 H ASP 38 H ASP 38 6.208 6.405 3.299 318 HA ASP 38 HA ASP 38 5.180 7.797 5.561 319 HB2 ASP 38 2HB ASP 38 5.124 8.717 3.261 320 HB3 ASP 38 1HB ASP 38 3.961 7.474 2.810 321 H LEU 39 H LEU 39 3.924 5.146 3.553 322 HA LEU 39 HA LEU 39 1.492 4.811 4.904 323 HB2 LEU 39 2HB LEU 39 2.525 3.747 2.685 324 HB3 LEU 39 1HB LEU 39 2.861 2.424 3.784 325 HG LEU 39 HG LEU 39 0.441 2.353 4.369 326 HD11 LEU 39 1HD1 LEU 39 0.311 4.841 3.298 327 HD12 LEU 39 2HD1 LEU 39 -1.081 3.791 3.563 328 HD13 LEU 39 3HD1 LEU 39 -0.322 3.865 1.973 329 HD21 LEU 39 3HD2 LEU 39 1.216 1.992 1.479 330 HD22 LEU 39 1HD2 LEU 39 -0.281 1.387 2.186 331 HD23 LEU 39 2HD2 LEU 39 1.272 0.786 2.765 332 H GLN 40 H GLN 40 4.680 3.394 5.457 333 HA GLN 40 HA GLN 40 3.806 1.675 7.568 334 HB2 GLN 40 2HB GLN 40 5.985 1.659 6.017 335 HB3 GLN 40 1HB GLN 40 6.653 2.520 7.397 336 HG2 GLN 40 2HG GLN 40 5.820 0.629 8.835 337 HG3 GLN 40 1HG GLN 40 5.472 -0.241 7.341 338 HE21 GLN 40 1HE2 GLN 40 7.609 0.429 5.788 339 HE22 GLN 40 2HE2 GLN 40 9.060 -0.203 6.479 340 H ARG 41 H ARG 41 5.050 4.937 7.363 341 HA ARG 41 HA ARG 41 5.727 5.287 10.076 342 HB2 ARG 41 2HB ARG 41 6.472 6.822 8.315 343 HB3 ARG 41 1HB ARG 41 4.812 7.335 8.048 344 HG2 ARG 41 2HG ARG 41 4.712 8.320 10.240 345 HG3 ARG 41 1HG ARG 41 6.315 7.694 10.632 346 HD2 ARG 41 2HD ARG 41 7.064 9.027 8.535 347 HD3 ARG 41 1HD ARG 41 5.546 9.895 8.755 348 HE ARG 41 HE ARG 41 7.910 10.095 10.378 349 HH11 ARG 41 1HH1 ARG 41 4.450 10.538 10.293 350 HH12 ARG 41 2HH1 ARG 41 4.441 11.700 11.576 351 HH21 ARG 41 1HH2 ARG 41 7.901 11.622 12.068 352 HH22 ARG 41 2HH2 ARG 41 6.400 12.316 12.584 353 H LEU 42 H LEU 42 2.749 6.038 8.288 354 HA LEU 42 HA LEU 42 1.362 6.956 10.613 355 HB2 LEU 42 2HB LEU 42 -0.659 6.798 9.109 356 HB3 LEU 42 1HB LEU 42 0.627 7.860 8.569 357 HG LEU 42 HG LEU 42 1.231 5.438 7.352 358 HD11 LEU 42 1HD1 LEU 42 -1.545 5.791 6.509 359 HD12 LEU 42 2HD1 LEU 42 -1.364 5.134 8.135 360 HD13 LEU 42 3HD1 LEU 42 -0.612 4.317 6.765 361 HD21 LEU 42 3HD2 LEU 42 1.147 6.678 5.461 362 HD22 LEU 42 1HD2 LEU 42 1.022 8.004 6.616 363 HD23 LEU 42 2HD2 LEU 42 -0.430 7.364 5.847 364 H TYR 43 H TYR 43 1.673 3.895 8.942 365 HA TYR 43 HA TYR 43 -0.058 2.664 10.985 366 HB2 TYR 43 2HB TYR 43 0.279 2.065 8.065 367 HB3 TYR 43 1HB TYR 43 -0.215 0.787 9.171 368 HD1 TYR 43 1HD TYR 43 -1.994 2.227 11.014 369 HD2 TYR 43 2HD TYR 43 -1.605 2.537 6.790 370 HE1 TYR 43 1HE TYR 43 -4.325 2.993 10.862 371 HE2 TYR 43 2HE TYR 43 -3.935 3.306 6.625 372 HH TYR 43 HH TYR 43 -6.149 2.875 8.467 373 H SER 44 H SER 44 2.490 3.075 11.717 374 HA SER 44 HA SER 44 4.323 1.048 11.010 375 HB2 SER 44 2HB SER 44 4.531 3.347 12.413 376 HB3 SER 44 1HB SER 44 4.503 2.185 13.741 377 HG SER 44 HG SER 44 6.627 2.659 12.882 378 H VAL 45 H VAL 45 2.166 1.384 13.822 379 HA VAL 45 HA VAL 45 2.849 -1.104 14.982 380 HB VAL 45 HB VAL 45 0.687 -0.829 16.250 381 HG11 VAL 45 1HG1 VAL 45 2.967 1.043 16.222 382 HG12 VAL 45 2HG1 VAL 45 2.348 0.023 17.521 383 HG13 VAL 45 3HG1 VAL 45 1.553 1.553 17.145 384 HG21 VAL 45 3HG2 VAL 45 -0.742 0.933 15.899 385 HG22 VAL 45 1HG2 VAL 45 -0.240 0.589 14.245 386 HG23 VAL 45 2HG2 VAL 45 0.495 1.926 15.129 387 H ASP 46 H ASP 46 0.526 -0.152 12.553 388 HA ASP 46 HA ASP 46 -0.880 -2.672 12.614 389 HB2 ASP 46 2HB ASP 46 -1.061 -0.188 10.939 390 HB3 ASP 46 1HB ASP 46 -1.879 -1.662 10.429 391 H TYR 47 H TYR 47 1.725 -1.213 10.808 392 HA TYR 47 HA TYR 47 1.880 -3.629 9.130 393 HB2 TYR 47 2HB TYR 47 2.858 -0.822 8.584 394 HB3 TYR 47 1HB TYR 47 3.229 -2.209 7.564 395 HD1 TYR 47 2HD TYR 47 0.698 -3.634 7.422 396 HD2 TYR 47 1HD TYR 47 1.446 0.554 7.366 397 HE1 TYR 47 2HE TYR 47 -1.394 -3.282 6.178 398 HE2 TYR 47 1HE TYR 47 -0.644 0.917 6.122 399 HH TYR 47 HH TYR 47 -2.121 -0.872 4.443 400 H GLY 48 H GLY 48 4.239 -1.110 10.002 401 HA2 GLY 48 2HA GLY 48 6.443 -2.820 10.087 402 HA3 GLY 48 1HA GLY 48 6.353 -1.256 10.883 403 H ARG 49 H ARG 49 5.951 -4.702 11.253 404 HA ARG 49 HA ARG 49 6.603 -4.573 14.023 405 HB2 ARG 49 2HB ARG 49 3.757 -4.845 13.212 406 HB3 ARG 49 1HB ARG 49 4.321 -5.885 14.514 407 HG2 ARG 49 2HG ARG 49 5.292 -3.576 15.406 408 HG3 ARG 49 1HG ARG 49 3.944 -2.952 14.452 409 HD2 ARG 49 2HD ARG 49 2.381 -4.300 15.680 410 HD3 ARG 49 1HD ARG 49 3.689 -5.116 16.536 411 HE ARG 49 HE ARG 49 3.778 -2.308 16.957 412 HH11 ARG 49 1HH1 ARG 49 2.078 -5.199 17.922 413 HH12 ARG 49 2HH1 ARG 49 1.628 -4.569 19.470 414 HH21 ARG 49 1HH2 ARG 49 3.187 -1.477 18.994 415 HH22 ARG 49 2HH2 ARG 49 2.257 -2.456 20.080 416 H ARG 50 H ARG 50 5.126 -6.513 11.452 417 HA ARG 50 HA ARG 50 6.461 -8.897 12.520 418 HB2 ARG 50 2HB ARG 50 4.124 -8.474 10.694 419 HB3 ARG 50 1HB ARG 50 5.005 -9.995 10.644 420 HG2 ARG 50 2HG ARG 50 3.307 -10.456 12.128 421 HG3 ARG 50 1HG ARG 50 4.633 -10.014 13.206 422 HD2 ARG 50 2HD ARG 50 3.237 -8.541 14.125 423 HD3 ARG 50 1HD ARG 50 3.399 -7.601 12.642 424 HE ARG 50 HE ARG 50 1.432 -9.392 12.075 425 HH11 ARG 50 1HH1 ARG 50 1.926 -7.049 14.614 426 HH12 ARG 50 2HH1 ARG 50 0.236 -6.760 14.847 427 HH21 ARG 50 1HH2 ARG 50 -0.793 -9.013 12.381 428 HH22 ARG 50 2HH2 ARG 50 -1.308 -7.875 13.581 429 H LYS 51 H LYS 51 5.723 -7.646 9.258 430 HA LYS 51 HA LYS 51 8.461 -8.400 8.467 431 HB2 LYS 51 2HB LYS 51 7.421 -8.731 6.149 432 HB3 LYS 51 1HB LYS 51 7.100 -9.961 7.364 433 HG2 LYS 51 2HG LYS 51 4.927 -8.783 7.827 434 HG3 LYS 51 1HG LYS 51 5.249 -7.798 6.399 435 HD2 LYS 51 2HD LYS 51 5.482 -9.964 5.115 436 HD3 LYS 51 1HD LYS 51 4.838 -10.777 6.541 437 HE2 LYS 51 2HE LYS 51 3.422 -8.512 5.155 438 HE3 LYS 51 1HE LYS 51 3.160 -10.206 4.743 439 HZ1 LYS 51 3HZ LYS 51 1.622 -9.055 6.449 440 HZ2 LYS 51 1HZ LYS 51 2.890 -9.323 7.538 441 HZ3 LYS 51 2HZ LYS 51 2.157 -10.630 6.754 442 H ARG 52 H ARG 52 9.382 -6.396 8.635 443 HA ARG 52 HA ARG 52 8.183 -3.998 7.730 444 HB2 ARG 52 2HB ARG 52 10.463 -4.688 9.171 445 HB3 ARG 52 1HB ARG 52 11.091 -3.944 7.707 446 HG2 ARG 52 2HG ARG 52 10.151 -1.898 8.178 447 HG3 ARG 52 1HG ARG 52 8.907 -2.591 9.219 448 HD2 ARG 52 2HD ARG 52 10.310 -2.746 11.026 449 HD3 ARG 52 1HD ARG 52 11.758 -2.865 10.027 450 HE ARG 52 HE ARG 52 10.451 -0.310 9.873 451 HH11 ARG 52 1HH1 ARG 52 12.764 -2.240 11.635 452 HH12 ARG 52 2HH1 ARG 52 13.609 -0.871 12.273 453 HH21 ARG 52 1HH2 ARG 52 11.562 1.493 10.712 454 HH22 ARG 52 2HH2 ARG 52 12.927 1.249 11.750 455 H ASN 53 H ASN 53 10.745 -6.029 6.313 456 HA ASN 53 HA ASN 53 11.117 -4.562 3.970 457 HB2 ASN 53 2HB ASN 53 12.118 -6.606 3.047 458 HB3 ASN 53 1HB ASN 53 12.657 -6.325 4.701 459 HD21 ASN 53 1HD2 ASN 53 12.663 -8.795 3.241 460 HD22 ASN 53 2HD2 ASN 53 11.663 -9.899 4.115 461 H ALA 54 H ALA 54 8.871 -7.209 4.672 462 HA ALA 54 HA ALA 54 7.855 -7.639 2.126 463 HB1 ALA 54 1HB ALA 54 7.348 -9.065 4.051 464 HB2 ALA 54 2HB ALA 54 5.881 -8.552 3.219 465 HB3 ALA 54 3HB ALA 54 6.349 -7.783 4.735 466 H PHE 55 H PHE 55 7.100 -5.124 4.457 467 HA PHE 55 HA PHE 55 4.778 -4.121 3.217 468 HB2 PHE 55 2HB PHE 55 5.640 -3.586 5.551 469 HB3 PHE 55 1HB PHE 55 6.768 -2.474 4.780 470 HD1 PHE 55 2HD PHE 55 3.121 -3.259 4.806 471 HD2 PHE 55 1HD PHE 55 6.146 -0.275 4.585 472 HE1 PHE 55 2HE PHE 55 1.390 -1.511 4.812 473 HE2 PHE 55 1HE PHE 55 4.421 1.480 4.592 474 HZ PHE 55 HZ PHE 55 2.039 0.863 4.705 475 H ARG 56 H ARG 56 8.204 -3.315 2.840 476 HA ARG 56 HA ARG 56 7.886 -1.144 1.092 477 HB2 ARG 56 2HB ARG 56 10.128 -3.085 1.578 478 HB3 ARG 56 1HB ARG 56 10.255 -1.853 0.331 479 HG2 ARG 56 2HG ARG 56 9.401 -0.865 2.958 480 HG3 ARG 56 1HG ARG 56 11.035 -1.530 2.901 481 HD2 ARG 56 2HD ARG 56 11.134 -0.046 0.696 482 HD3 ARG 56 1HD ARG 56 9.903 0.868 1.566 483 HE ARG 56 HE ARG 56 11.903 0.514 3.389 484 HH11 ARG 56 1HH1 ARG 56 11.721 1.870 0.177 485 HH12 ARG 56 2HH1 ARG 56 13.004 3.002 0.448 486 HH21 ARG 56 1HH2 ARG 56 13.590 2.001 3.745 487 HH22 ARG 56 2HH2 ARG 56 14.066 3.076 2.473 488 H ILE 57 H ILE 57 8.344 -4.605 0.441 489 HA ILE 57 HA ILE 57 8.374 -4.398 -2.371 490 HB ILE 57 HB ILE 57 7.424 -6.771 -0.763 491 HG12 ILE 57 2HG1 ILE 57 10.202 -6.703 -1.763 492 HG13 ILE 57 1HG1 ILE 57 9.855 -5.583 -0.450 493 HG21 ILE 57 1HG2 ILE 57 7.598 -8.026 -2.646 494 HG22 ILE 57 2HG2 ILE 57 8.904 -7.046 -3.313 495 HG23 ILE 57 3HG2 ILE 57 7.237 -6.477 -3.406 496 HD11 ILE 57 3HD1 ILE 57 10.613 -8.146 -0.112 497 HD12 ILE 57 1HD1 ILE 57 8.859 -8.315 -0.054 498 HD13 ILE 57 2HD1 ILE 57 9.678 -7.224 1.065 499 H GLN 58 H GLN 58 5.744 -4.996 -0.068 500 HA GLN 58 HA GLN 58 3.706 -5.454 -1.933 501 HB2 GLN 58 2HB GLN 58 3.884 -4.810 0.926 502 HB3 GLN 58 1HB GLN 58 2.405 -4.245 0.161 503 HG2 GLN 58 2HG GLN 58 3.433 -7.073 0.125 504 HG3 GLN 58 1HG GLN 58 2.133 -6.457 1.143 505 HE21 GLN 58 1HE2 GLN 58 2.513 -8.390 -1.286 506 HE22 GLN 58 2HE2 GLN 58 1.144 -8.015 -2.273 507 H VAL 59 H VAL 59 4.790 -2.446 -0.392 508 HA VAL 59 HA VAL 59 2.871 -0.768 -1.604 509 HB VAL 59 HB VAL 59 5.638 0.038 -0.700 510 HG11 VAL 59 1HG1 VAL 59 4.120 1.613 -2.068 511 HG12 VAL 59 2HG1 VAL 59 4.848 2.222 -0.581 512 HG13 VAL 59 3HG1 VAL 59 3.158 1.716 -0.592 513 HG21 VAL 59 3HG2 VAL 59 5.042 -0.122 1.455 514 HG22 VAL 59 1HG2 VAL 59 3.793 -1.224 0.876 515 HG23 VAL 59 2HG2 VAL 59 3.411 0.476 1.147 516 H GLU 60 H GLU 60 5.982 -1.976 -2.652 517 HA GLU 60 HA GLU 60 6.405 -0.180 -4.789 518 HB2 GLU 60 2HB GLU 60 7.452 -2.888 -4.066 519 HB3 GLU 60 1HB GLU 60 7.779 -2.246 -5.671 520 HG2 GLU 60 2HG GLU 60 8.765 -0.235 -4.608 521 HG3 GLU 60 1HG GLU 60 8.546 -1.008 -3.039 522 H LYS 61 H LYS 61 4.981 -3.436 -4.690 523 HA LYS 61 HA LYS 61 4.298 -3.419 -7.470 524 HB2 LYS 61 2HB LYS 61 3.932 -5.250 -5.173 525 HB3 LYS 61 1HB LYS 61 2.735 -5.377 -6.455 526 HG2 LYS 61 2HG LYS 61 4.450 -6.954 -6.908 527 HG3 LYS 61 1HG LYS 61 4.614 -5.642 -8.077 528 HD2 LYS 61 2HD LYS 61 6.597 -4.951 -7.222 529 HD3 LYS 61 1HD LYS 61 6.148 -5.365 -5.567 530 HE2 LYS 61 2HE LYS 61 6.872 -7.366 -7.703 531 HE3 LYS 61 1HE LYS 61 7.987 -6.760 -6.479 532 HZ1 LYS 61 3HZ LYS 61 7.094 -8.063 -4.913 533 HZ2 LYS 61 1HZ LYS 61 6.470 -8.957 -6.206 534 HZ3 LYS 61 2HZ LYS 61 5.505 -7.804 -5.432 535 H VAL 62 H VAL 62 2.592 -2.765 -4.456 536 HA VAL 62 HA VAL 62 0.002 -2.560 -5.550 537 HB VAL 62 HB VAL 62 1.261 -1.543 -3.023 538 HG11 VAL 62 1HG1 VAL 62 -1.238 -0.980 -2.442 539 HG12 VAL 62 2HG1 VAL 62 -1.359 -0.723 -4.182 540 HG13 VAL 62 3HG1 VAL 62 -0.205 0.211 -3.231 541 HG21 VAL 62 3HG2 VAL 62 -0.949 -3.015 -2.385 542 HG22 VAL 62 1HG2 VAL 62 0.694 -3.646 -2.498 543 HG23 VAL 62 2HG2 VAL 62 -0.403 -3.793 -3.872 544 H PHE 63 H PHE 63 2.669 -0.306 -5.331 545 HA PHE 63 HA PHE 63 1.176 2.038 -5.916 546 HB2 PHE 63 2HB PHE 63 3.409 2.094 -4.866 547 HB3 PHE 63 1HB PHE 63 4.118 1.487 -6.359 548 HD1 PHE 63 1HD PHE 63 4.125 2.906 -8.384 549 HD2 PHE 63 2HD PHE 63 2.841 4.379 -4.604 550 HE1 PHE 63 1HE PHE 63 4.378 5.212 -9.202 551 HE2 PHE 63 2HE PHE 63 3.090 6.688 -5.415 552 HZ PHE 63 HZ PHE 63 3.860 7.107 -7.717 553 H SER 64 H SER 64 2.847 -0.349 -7.893 554 HA SER 64 HA SER 64 2.543 1.100 -10.340 555 HB2 SER 64 2HB SER 64 3.567 -1.563 -9.529 556 HB3 SER 64 1HB SER 64 2.982 -1.421 -11.187 557 HG SER 64 HG SER 64 4.994 -0.737 -11.415 558 H ILE 65 H ILE 65 0.723 -1.384 -8.659 559 HA ILE 65 HA ILE 65 -1.047 -1.918 -10.843 560 HB ILE 65 HB ILE 65 -0.492 -3.518 -8.970 561 HG12 ILE 65 2HG1 ILE 65 -3.414 -2.989 -9.556 562 HG13 ILE 65 1HG1 ILE 65 -2.313 -3.918 -10.568 563 HG21 ILE 65 1HG2 ILE 65 -0.820 -1.909 -7.132 564 HG22 ILE 65 2HG2 ILE 65 -1.738 -3.396 -6.914 565 HG23 ILE 65 3HG2 ILE 65 -2.552 -1.927 -7.453 566 HD11 ILE 65 3HD1 ILE 65 -2.070 -5.197 -8.183 567 HD12 ILE 65 1HD1 ILE 65 -3.153 -5.678 -9.488 568 HD13 ILE 65 2HD1 ILE 65 -3.760 -4.695 -8.156 569 H ILE 66 H ILE 66 -1.312 -0.002 -7.852 570 HA ILE 66 HA ILE 66 -3.985 0.705 -8.026 571 HB ILE 66 HB ILE 66 -3.413 2.747 -6.763 572 HG12 ILE 66 2HG1 ILE 66 -0.556 1.847 -7.191 573 HG13 ILE 66 1HG1 ILE 66 -1.297 3.277 -7.897 574 HG21 ILE 66 1HG2 ILE 66 -3.691 1.125 -5.223 575 HG22 ILE 66 2HG2 ILE 66 -1.958 1.350 -4.986 576 HG23 ILE 66 3HG2 ILE 66 -2.545 0.036 -6.005 577 HD11 ILE 66 3HD1 ILE 66 -0.549 2.761 -5.049 578 HD12 ILE 66 1HD1 ILE 66 -1.724 4.003 -5.479 579 HD13 ILE 66 2HD1 ILE 66 -0.077 4.096 -6.102 580 H SER 67 H SER 67 -1.224 2.017 -9.754 581 HA SER 67 HA SER 67 -2.650 4.239 -10.858 582 HB2 SER 67 2HB SER 67 -0.614 4.278 -12.439 583 HB3 SER 67 1HB SER 67 -0.323 4.553 -10.721 584 HG SER 67 HG SER 67 1.155 3.056 -11.305 585 H SER 68 H SER 68 -1.641 1.067 -12.104 586 HA SER 68 HA SER 68 -2.809 1.484 -14.677 587 HB2 SER 68 2HB SER 68 -1.428 -0.730 -13.278 588 HB3 SER 68 1HB SER 68 -2.533 -1.199 -14.569 589 HG SER 68 HG SER 68 -1.378 0.172 -15.967 590 H GLU 69 H GLU 69 -3.757 -0.502 -11.871 591 HA GLU 69 HA GLU 69 -6.120 -1.506 -12.982 592 HB2 GLU 69 2HB GLU 69 -4.768 -1.664 -10.498 593 HB3 GLU 69 1HB GLU 69 -6.428 -1.201 -10.152 594 HG2 GLU 69 2HG GLU 69 -6.279 -3.573 -10.080 595 HG3 GLU 69 1HG GLU 69 -7.188 -3.124 -11.521 596 H LYS 70 H LYS 70 -5.620 1.300 -10.844 597 HA LYS 70 HA LYS 70 -8.397 2.058 -11.033 598 HB2 LYS 70 2HB LYS 70 -6.171 3.759 -9.928 599 HB3 LYS 70 1HB LYS 70 -7.882 3.808 -9.523 600 HG2 LYS 70 2HG LYS 70 -6.021 1.529 -8.883 601 HG3 LYS 70 1HG LYS 70 -6.507 2.797 -7.755 602 HD2 LYS 70 2HD LYS 70 -8.803 1.581 -9.028 603 HD3 LYS 70 1HD LYS 70 -7.803 0.372 -8.223 604 HE2 LYS 70 2HE LYS 70 -8.065 1.364 -6.136 605 HE3 LYS 70 1HE LYS 70 -8.539 2.915 -6.826 606 HZ1 LYS 70 3HZ LYS 70 -10.672 2.252 -7.087 607 HZ2 LYS 70 1HZ LYS 70 -10.280 1.234 -5.794 608 HZ3 LYS 70 2HZ LYS 70 -10.272 0.634 -7.375 609 H GLU 71 H GLU 71 -5.324 3.585 -12.018 610 HA GLU 71 HA GLU 71 -4.819 5.032 -13.698 611 HB2 GLU 71 2HB GLU 71 -7.084 3.467 -14.766 612 HB3 GLU 71 1HB GLU 71 -6.782 5.000 -15.572 613 HG2 GLU 71 2HG GLU 71 -4.337 4.204 -15.691 614 HG3 GLU 71 1HG GLU 71 -5.003 2.609 -15.349 615 H LEU 72 H LEU 72 -5.173 7.167 -14.308 616 HA LEU 72 HA LEU 72 -7.698 8.450 -13.761 617 HB2 LEU 72 2HB LEU 72 -5.452 8.571 -11.876 618 HB3 LEU 72 1HB LEU 72 -6.087 10.141 -12.330 619 HG LEU 72 HG LEU 72 -7.792 7.903 -11.244 620 HD11 LEU 72 1HD1 LEU 72 -5.911 9.009 -9.757 621 HD12 LEU 72 2HD1 LEU 72 -7.517 8.664 -9.115 622 HD13 LEU 72 3HD1 LEU 72 -7.106 10.300 -9.632 623 HD21 LEU 72 3HD2 LEU 72 -8.608 10.023 -12.666 624 HD22 LEU 72 1HD2 LEU 72 -8.565 10.747 -11.058 625 HD23 LEU 72 2HD2 LEU 72 -9.554 9.318 -11.354 626 H LYS 73 H LYS 73 -5.883 8.044 -16.020 627 HA LYS 73 HA LYS 73 -4.881 10.737 -16.554 628 HB2 LYS 73 2HB LYS 73 -4.441 8.044 -17.768 629 HB3 LYS 73 1HB LYS 73 -4.186 9.468 -18.769 630 HG2 LYS 73 2HG LYS 73 -2.792 10.185 -16.587 631 HG3 LYS 73 1HG LYS 73 -2.610 8.431 -16.508 632 HD2 LYS 73 2HD LYS 73 -1.295 8.358 -18.338 633 HD3 LYS 73 1HD LYS 73 -2.214 9.610 -19.173 634 HE2 LYS 73 2HE LYS 73 -0.469 10.945 -18.776 635 HE3 LYS 73 1HE LYS 73 -1.031 10.985 -17.105 636 HZ1 LYS 73 3HZ LYS 73 1.251 9.611 -18.260 637 HZ2 LYS 73 1HZ LYS 73 0.390 8.738 -17.093 638 HZ3 LYS 73 2HZ LYS 73 1.043 10.250 -16.708 639 H ASN 74 H ASN 74 -5.738 12.094 -18.047 640 HA ASN 74 HA ASN 74 -8.330 11.325 -19.167 641 HB2 ASN 74 2HB ASN 74 -7.044 13.897 -18.408 642 HB3 ASN 74 1HB ASN 74 -8.179 13.936 -19.754 643 HD21 ASN 74 1HD2 ASN 74 -8.228 11.924 -16.856 644 HD22 ASN 74 2HD2 ASN 74 -9.732 12.519 -16.252 Start of MODEL 16 1 H MET 1 H MET 1 -2.294 -21.189 -12.063 2 HA MET 1 HA MET 1 -0.565 -21.305 -10.297 3 HB2 MET 1 2HB MET 1 0.885 -22.674 -11.766 4 HB3 MET 1 1HB MET 1 -0.826 -22.976 -12.040 5 HG2 MET 1 2HG MET 1 -0.746 -22.251 -14.152 6 HG3 MET 1 1HG MET 1 0.316 -20.903 -13.756 7 HE1 MET 1 2HE MET 1 2.039 -25.004 -13.447 8 HE2 MET 1 3HE MET 1 0.827 -25.089 -14.727 9 HE3 MET 1 1HE MET 1 0.374 -24.524 -13.118 10 H LYS 2 H LYS 2 -0.408 -18.585 -10.590 11 HA LYS 2 HA LYS 2 2.286 -18.019 -11.588 12 HB2 LYS 2 2HB LYS 2 0.095 -16.606 -12.026 13 HB3 LYS 2 1HB LYS 2 0.503 -15.903 -10.467 14 HG2 LYS 2 2HG LYS 2 2.425 -14.921 -11.254 15 HG3 LYS 2 1HG LYS 2 2.594 -16.072 -12.582 16 HD2 LYS 2 2HD LYS 2 0.487 -15.046 -13.553 17 HD3 LYS 2 1HD LYS 2 0.673 -13.766 -12.353 18 HE2 LYS 2 2HE LYS 2 3.167 -13.841 -13.402 19 HE3 LYS 2 1HE LYS 2 2.208 -14.306 -14.807 20 HZ1 LYS 2 3HZ LYS 2 2.221 -11.778 -13.321 21 HZ2 LYS 2 1HZ LYS 2 0.785 -12.264 -14.073 22 HZ3 LYS 2 2HZ LYS 2 2.188 -12.044 -14.991 23 HA PRO 3 HA PRO 3 3.760 -17.931 -7.393 24 HB2 PRO 3 2HB PRO 3 6.266 -17.134 -7.843 25 HB3 PRO 3 1HB PRO 3 5.698 -18.714 -8.402 26 HG2 PRO 3 2HG PRO 3 6.071 -16.179 -9.944 27 HG3 PRO 3 1HG PRO 3 6.449 -17.845 -10.419 28 HD2 PRO 3 2HD PRO 3 4.169 -16.462 -11.168 29 HD3 PRO 3 1HD PRO 3 4.327 -18.229 -11.159 30 H ARG 4 H ARG 4 2.105 -15.799 -7.786 31 HA ARG 4 HA ARG 4 3.654 -13.570 -6.649 32 HB2 ARG 4 2HB ARG 4 1.481 -13.470 -8.735 33 HB3 ARG 4 1HB ARG 4 1.921 -12.063 -7.775 34 HG2 ARG 4 2HG ARG 4 4.104 -12.007 -8.686 35 HG3 ARG 4 1HG ARG 4 3.910 -13.600 -9.422 36 HD2 ARG 4 2HD ARG 4 2.532 -12.800 -11.099 37 HD3 ARG 4 1HD ARG 4 2.059 -11.377 -10.171 38 HE ARG 4 HE ARG 4 3.862 -10.268 -11.031 39 HH11 ARG 4 1HH1 ARG 4 4.324 -13.693 -11.515 40 HH12 ARG 4 2HH1 ARG 4 5.750 -13.491 -12.477 41 HH21 ARG 4 1HH2 ARG 4 5.738 -10.001 -12.297 42 HH22 ARG 4 2HH2 ARG 4 6.554 -11.396 -12.920 43 HA PRO 5 HA PRO 5 0.360 -14.720 -3.646 44 HB2 PRO 5 2HB PRO 5 1.815 -14.088 -1.445 45 HB3 PRO 5 1HB PRO 5 1.946 -15.650 -2.263 46 HG2 PRO 5 2HG PRO 5 3.719 -13.245 -2.474 47 HG3 PRO 5 1HG PRO 5 4.165 -14.958 -2.343 48 HD2 PRO 5 2HD PRO 5 4.169 -13.627 -4.701 49 HD3 PRO 5 1HD PRO 5 3.787 -15.357 -4.581 50 H GLY 6 H GLY 6 -0.889 -13.404 -2.230 51 HA2 GLY 6 2HA GLY 6 -0.961 -11.179 -1.068 52 HA3 GLY 6 1HA GLY 6 -0.402 -10.511 -2.593 53 H VAL 7 H VAL 7 -3.077 -11.117 -0.708 54 HA VAL 7 HA VAL 7 -4.898 -10.008 -2.521 55 HB VAL 7 HB VAL 7 -4.677 -12.140 -3.721 56 HG11 VAL 7 1HG1 VAL 7 -4.236 -13.387 -1.478 57 HG12 VAL 7 2HG1 VAL 7 -5.053 -14.221 -2.799 58 HG13 VAL 7 3HG1 VAL 7 -5.990 -13.573 -1.452 59 HG21 VAL 7 3HG2 VAL 7 -7.374 -12.041 -2.392 60 HG22 VAL 7 1HG2 VAL 7 -6.986 -12.552 -4.035 61 HG23 VAL 7 2HG2 VAL 7 -6.850 -10.852 -3.584 62 H PHE 8 H PHE 8 -4.482 -12.242 0.183 63 HA PHE 8 HA PHE 8 -7.028 -11.703 1.352 64 HB2 PHE 8 2HB PHE 8 -4.651 -13.299 2.007 65 HB3 PHE 8 1HB PHE 8 -5.482 -12.648 3.417 66 HD1 PHE 8 1HD PHE 8 -6.032 -14.613 0.318 67 HD2 PHE 8 2HD PHE 8 -7.406 -13.668 4.233 68 HE1 PHE 8 1HE PHE 8 -7.693 -16.421 0.167 69 HE2 PHE 8 2HE PHE 8 -9.070 -15.475 4.090 70 HZ PHE 8 HZ PHE 8 -9.215 -16.854 2.054 71 H VAL 9 H VAL 9 -3.888 -11.126 2.911 72 HA VAL 9 HA VAL 9 -5.006 -8.699 4.111 73 HB VAL 9 HB VAL 9 -2.928 -8.805 5.554 74 HG11 VAL 9 1HG1 VAL 9 -3.837 -10.502 7.013 75 HG12 VAL 9 2HG1 VAL 9 -4.753 -11.204 5.678 76 HG13 VAL 9 3HG1 VAL 9 -5.156 -9.594 6.275 77 HG21 VAL 9 3HG2 VAL 9 -2.611 -11.665 4.919 78 HG22 VAL 9 1HG2 VAL 9 -1.406 -10.463 5.379 79 HG23 VAL 9 2HG2 VAL 9 -1.985 -10.538 3.715 80 H ASP 10 H ASP 10 -4.010 -8.881 1.307 81 HA ASP 10 HA ASP 10 -1.808 -6.932 1.473 82 HB2 ASP 10 2HB ASP 10 -2.557 -8.883 -0.709 83 HB3 ASP 10 1HB ASP 10 -1.387 -7.585 -0.938 84 H ARG 11 H ARG 11 -5.024 -7.529 0.307 85 HA ARG 11 HA ARG 11 -5.283 -5.546 -1.626 86 HB2 ARG 11 2HB ARG 11 -6.940 -7.407 -0.691 87 HB3 ARG 11 1HB ARG 11 -7.566 -6.039 0.220 88 HG2 ARG 11 2HG ARG 11 -8.156 -4.873 -1.737 89 HG3 ARG 11 1HG ARG 11 -7.210 -5.957 -2.758 90 HD2 ARG 11 2HD ARG 11 -8.970 -7.283 -3.028 91 HD3 ARG 11 1HD ARG 11 -9.104 -7.499 -1.284 92 HE ARG 11 HE ARG 11 -10.224 -5.028 -2.234 93 HH11 ARG 11 1HH1 ARG 11 -10.836 -8.416 -1.662 94 HH12 ARG 11 2HH1 ARG 11 -12.551 -8.212 -1.530 95 HH21 ARG 11 1HH2 ARG 11 -12.478 -4.758 -2.061 96 HH22 ARG 11 2HH2 ARG 11 -13.484 -6.135 -1.757 97 H LYS 12 H LYS 12 -5.265 -5.307 1.863 98 HA LYS 12 HA LYS 12 -6.439 -2.803 2.195 99 HB2 LYS 12 2HB LYS 12 -4.434 -4.380 3.749 100 HB3 LYS 12 1HB LYS 12 -4.721 -2.702 4.194 101 HG2 LYS 12 2HG LYS 12 -6.147 -3.940 5.565 102 HG3 LYS 12 1HG LYS 12 -7.189 -3.317 4.284 103 HD2 LYS 12 2HD LYS 12 -7.645 -5.371 3.495 104 HD3 LYS 12 1HD LYS 12 -5.980 -5.920 3.691 105 HE2 LYS 12 2HE LYS 12 -6.323 -6.381 6.004 106 HE3 LYS 12 1HE LYS 12 -7.897 -5.587 5.989 107 HZ1 LYS 12 3HZ LYS 12 -8.080 -8.009 5.944 108 HZ2 LYS 12 1HZ LYS 12 -7.220 -8.058 4.488 109 HZ3 LYS 12 2HZ LYS 12 -8.738 -7.315 4.549 110 H LEU 13 H LEU 13 -3.086 -3.658 1.443 111 HA LEU 13 HA LEU 13 -1.942 -1.129 1.663 112 HB2 LEU 13 2HB LEU 13 -0.977 -3.550 1.067 113 HB3 LEU 13 1HB LEU 13 -1.038 -2.886 -0.555 114 HG LEU 13 HG LEU 13 1.164 -2.534 0.307 115 HD11 LEU 13 1HD1 LEU 13 0.079 0.187 0.730 116 HD12 LEU 13 2HD1 LEU 13 -0.284 -0.595 -0.808 117 HD13 LEU 13 3HD1 LEU 13 1.393 -0.366 -0.309 118 HD21 LEU 13 3HD2 LEU 13 1.544 -1.215 2.364 119 HD22 LEU 13 1HD2 LEU 13 0.735 -2.750 2.670 120 HD23 LEU 13 2HD2 LEU 13 -0.191 -1.249 2.676 121 H LYS 14 H LYS 14 -3.690 -2.614 -1.016 122 HA LYS 14 HA LYS 14 -3.222 -0.447 -2.829 123 HB2 LYS 14 2HB LYS 14 -3.807 -2.893 -3.395 124 HB3 LYS 14 1HB LYS 14 -5.471 -2.435 -3.056 125 HG2 LYS 14 2HG LYS 14 -5.044 -0.531 -4.752 126 HG3 LYS 14 1HG LYS 14 -3.676 -1.521 -5.262 127 HD2 LYS 14 2HD LYS 14 -5.438 -2.172 -6.670 128 HD3 LYS 14 1HD LYS 14 -5.356 -3.438 -5.445 129 HE2 LYS 14 2HE LYS 14 -7.103 -1.894 -4.219 130 HE3 LYS 14 1HE LYS 14 -7.404 -1.315 -5.857 131 HZ1 LYS 14 3HZ LYS 14 -7.697 -4.080 -4.832 132 HZ2 LYS 14 1HZ LYS 14 -7.701 -3.710 -6.484 133 HZ3 LYS 14 2HZ LYS 14 -8.899 -3.077 -5.470 134 H GLN 15 H GLN 15 -6.061 -1.546 -0.981 135 HA GLN 15 HA GLN 15 -7.772 0.546 -1.713 136 HB2 GLN 15 2HB GLN 15 -8.511 -1.558 -0.645 137 HB3 GLN 15 1HB GLN 15 -7.771 -1.036 0.862 138 HG2 GLN 15 2HG GLN 15 -9.846 -0.324 1.320 139 HG3 GLN 15 1HG GLN 15 -9.351 1.078 0.372 140 HE21 GLN 15 1HE2 GLN 15 -12.011 0.280 0.729 141 HE22 GLN 15 2HE2 GLN 15 -12.648 -0.197 -0.804 142 H ARG 16 H ARG 16 -5.580 0.219 1.054 143 HA ARG 16 HA ARG 16 -6.301 2.639 2.310 144 HB2 ARG 16 2HB ARG 16 -4.847 0.579 3.129 145 HB3 ARG 16 1HB ARG 16 -3.520 1.582 2.556 146 HG2 ARG 16 2HG ARG 16 -3.642 2.929 4.322 147 HG3 ARG 16 1HG ARG 16 -5.398 3.062 4.205 148 HD2 ARG 16 2HD ARG 16 -3.785 0.919 5.572 149 HD3 ARG 16 1HD ARG 16 -4.919 2.055 6.302 150 HE ARG 16 HE ARG 16 -5.546 -0.431 5.023 151 HH11 ARG 16 1HH1 ARG 16 -6.768 2.737 5.825 152 HH12 ARG 16 2HH1 ARG 16 -8.428 2.245 5.785 153 HH21 ARG 16 1HH2 ARG 16 -7.729 -1.082 4.968 154 HH22 ARG 16 2HH2 ARG 16 -8.974 0.077 5.298 155 H VAL 17 H VAL 17 -3.756 1.839 -0.025 156 HA VAL 17 HA VAL 17 -2.559 4.402 -0.044 157 HB VAL 17 HB VAL 17 -2.478 2.066 -1.928 158 HG11 VAL 17 1HG1 VAL 17 -2.240 3.636 -3.577 159 HG12 VAL 17 2HG1 VAL 17 -0.569 3.513 -3.026 160 HG13 VAL 17 3HG1 VAL 17 -1.581 4.851 -2.481 161 HG21 VAL 17 3HG2 VAL 17 -0.590 1.547 -0.859 162 HG22 VAL 17 1HG2 VAL 17 -1.078 2.734 0.351 163 HG23 VAL 17 2HG2 VAL 17 0.014 3.202 -0.954 164 H ILE 18 H ILE 18 -4.872 2.889 -2.320 165 HA ILE 18 HA ILE 18 -5.169 5.038 -4.045 166 HB ILE 18 HB ILE 18 -7.357 4.134 -4.652 167 HG12 ILE 18 2HG1 ILE 18 -6.983 2.254 -2.313 168 HG13 ILE 18 1HG1 ILE 18 -8.125 3.593 -2.358 169 HG21 ILE 18 1HG2 ILE 18 -4.900 2.829 -4.817 170 HG22 ILE 18 2HG2 ILE 18 -6.322 2.557 -5.823 171 HG23 ILE 18 3HG2 ILE 18 -6.060 1.574 -4.382 172 HD11 ILE 18 3HD1 ILE 18 -8.252 0.944 -3.641 173 HD12 ILE 18 1HD1 ILE 18 -8.890 2.304 -4.564 174 HD13 ILE 18 2HD1 ILE 18 -9.535 1.945 -2.963 175 H GLN 19 H GLN 19 -6.712 4.445 -0.937 176 HA GLN 19 HA GLN 19 -8.539 6.629 -1.120 177 HB2 GLN 19 2HB GLN 19 -7.597 4.845 1.103 178 HB3 GLN 19 1HB GLN 19 -8.574 6.263 1.460 179 HG2 GLN 19 2HG GLN 19 -10.128 5.246 -0.402 180 HG3 GLN 19 1HG GLN 19 -9.308 3.753 0.052 181 HE21 GLN 19 1HE2 GLN 19 -11.457 3.084 0.714 182 HE22 GLN 19 2HE2 GLN 19 -12.034 3.529 2.280 183 H TYR 20 H TYR 20 -5.261 6.229 0.038 184 HA TYR 20 HA TYR 20 -5.124 8.717 1.426 185 HB2 TYR 20 2HB TYR 20 -3.385 6.469 0.926 186 HB3 TYR 20 1HB TYR 20 -2.517 7.978 0.662 187 HD1 TYR 20 1HD TYR 20 -3.824 9.712 2.695 188 HD2 TYR 20 2HD TYR 20 -2.493 5.678 2.937 189 HE1 TYR 20 1HE TYR 20 -3.519 9.964 5.122 190 HE2 TYR 20 2HE TYR 20 -2.186 5.918 5.365 191 HH TYR 20 HH TYR 20 -2.233 8.932 6.934 192 H LEU 21 H LEU 21 -4.310 7.658 -1.841 193 HA LEU 21 HA LEU 21 -3.075 10.121 -2.595 194 HB2 LEU 21 2HB LEU 21 -4.295 8.226 -4.569 195 HB3 LEU 21 1HB LEU 21 -2.863 9.222 -4.738 196 HG LEU 21 HG LEU 21 -2.639 7.184 -2.639 197 HD11 LEU 21 1HD1 LEU 21 -3.851 6.380 -5.047 198 HD12 LEU 21 2HD1 LEU 21 -3.203 5.361 -3.764 199 HD13 LEU 21 3HD1 LEU 21 -2.176 5.833 -5.115 200 HD21 LEU 21 3HD2 LEU 21 -0.815 8.654 -3.535 201 HD22 LEU 21 1HD2 LEU 21 -0.902 7.725 -5.032 202 HD23 LEU 21 2HD2 LEU 21 -0.455 6.926 -3.523 203 H SER 22 H SER 22 -6.298 8.724 -3.016 204 HA SER 22 HA SER 22 -7.359 10.755 -4.646 205 HB2 SER 22 2HB SER 22 -8.386 8.490 -4.235 206 HB3 SER 22 1HB SER 22 -8.903 9.081 -2.656 207 HG SER 22 HG SER 22 -10.299 9.274 -4.742 208 H SER 23 H SER 23 -7.535 10.295 -1.119 209 HA SER 23 HA SER 23 -9.012 12.606 -0.553 210 HB2 SER 23 2HB SER 23 -8.647 10.756 1.059 211 HB3 SER 23 1HB SER 23 -6.962 11.251 1.216 212 HG SER 23 HG SER 23 -8.515 12.074 2.833 213 H ASN 24 H ASN 24 -5.603 12.116 -1.129 214 HA ASN 24 HA ASN 24 -5.135 14.843 -1.669 215 HB2 ASN 24 2HB ASN 24 -3.656 15.412 0.203 216 HB3 ASN 24 1HB ASN 24 -5.287 15.068 0.772 217 HD21 ASN 24 1HD2 ASN 24 -5.667 12.848 1.559 218 HD22 ASN 24 2HD2 ASN 24 -4.393 12.066 2.427 219 H ARG 25 H ARG 25 -2.872 15.279 -2.205 220 HA ARG 25 HA ARG 25 -1.717 13.223 -3.706 221 HB2 ARG 25 2HB ARG 25 -0.681 15.873 -2.731 222 HB3 ARG 25 1HB ARG 25 0.337 14.784 -3.666 223 HG2 ARG 25 2HG ARG 25 -1.031 14.957 -5.563 224 HG3 ARG 25 1HG ARG 25 -2.358 15.669 -4.643 225 HD2 ARG 25 2HD ARG 25 -1.232 17.723 -4.413 226 HD3 ARG 25 1HD ARG 25 0.311 17.025 -4.904 227 HE ARG 25 HE ARG 25 -1.243 16.677 -7.089 228 HH11 ARG 25 1HH1 ARG 25 -0.507 19.455 -5.109 229 HH12 ARG 25 2HH1 ARG 25 -0.681 20.584 -6.410 230 HH21 ARG 25 1HH2 ARG 25 -1.472 18.160 -8.801 231 HH22 ARG 25 2HH2 ARG 25 -1.229 19.849 -8.506 232 H CYS 26 H CYS 26 -1.156 14.266 -0.406 233 HA CYS 26 HA CYS 26 0.067 13.390 1.300 234 HB2 CYS 26 2HB CYS 26 -1.243 11.313 0.255 235 HB3 CYS 26 1HB CYS 26 0.398 10.782 -0.098 236 HG CYS 26 HG CYS 26 -0.912 10.486 2.521 237 H GLY 27 H GLY 27 1.446 14.666 -0.934 238 HA2 GLY 27 2HA GLY 27 3.935 14.931 -0.468 239 HA3 GLY 27 1HA GLY 27 4.020 13.223 -0.870 240 H LYS 28 H LYS 28 5.219 15.671 -2.116 241 HA LYS 28 HA LYS 28 3.955 16.026 -4.650 242 HB2 LYS 28 2HB LYS 28 6.766 16.687 -3.750 243 HB3 LYS 28 1HB LYS 28 6.038 17.222 -5.259 244 HG2 LYS 28 2HG LYS 28 5.399 19.041 -4.163 245 HG3 LYS 28 1HG LYS 28 4.215 18.020 -3.344 246 HD2 LYS 28 2HD LYS 28 5.771 17.608 -1.536 247 HD3 LYS 28 1HD LYS 28 7.030 18.517 -2.374 248 HE2 LYS 28 2HE LYS 28 4.396 19.757 -1.634 249 HE3 LYS 28 1HE LYS 28 5.750 19.707 -0.506 250 HZ1 LYS 28 3HZ LYS 28 5.357 21.701 -2.193 251 HZ2 LYS 28 1HZ LYS 28 6.320 20.716 -3.177 252 HZ3 LYS 28 2HZ LYS 28 6.899 21.237 -1.675 253 H TYR 29 H TYR 29 3.699 14.123 -5.737 254 HA TYR 29 HA TYR 29 4.234 12.356 -7.063 255 HB2 TYR 29 2HB TYR 29 6.518 14.198 -7.313 256 HB3 TYR 29 1HB TYR 29 6.874 12.531 -7.751 257 HD1 TYR 29 1HD TYR 29 4.421 15.260 -8.412 258 HD2 TYR 29 2HD TYR 29 6.344 11.761 -9.881 259 HE1 TYR 29 1HE TYR 29 3.392 15.626 -10.615 260 HE2 TYR 29 2HE TYR 29 5.322 12.118 -12.088 261 HH TYR 29 HH TYR 29 3.441 13.253 -13.084 262 H VAL 30 H VAL 30 4.116 11.598 -4.558 263 HA VAL 30 HA VAL 30 6.408 10.568 -3.332 264 HB VAL 30 HB VAL 30 4.254 10.779 -2.172 265 HG11 VAL 30 1HG1 VAL 30 3.404 8.438 -3.874 266 HG12 VAL 30 2HG1 VAL 30 2.771 10.083 -3.967 267 HG13 VAL 30 3HG1 VAL 30 2.491 9.109 -2.523 268 HG21 VAL 30 3HG2 VAL 30 4.998 7.874 -2.117 269 HG22 VAL 30 1HG2 VAL 30 4.507 8.920 -0.784 270 HG23 VAL 30 2HG2 VAL 30 6.099 9.114 -1.519 271 H ASP 31 H ASP 31 7.616 8.794 -3.648 272 HA ASP 31 HA ASP 31 6.919 7.065 -5.901 273 HB2 ASP 31 2HB ASP 31 9.458 7.805 -4.522 274 HB3 ASP 31 1HB ASP 31 9.375 6.236 -5.317 275 H THR 32 H THR 32 7.918 4.723 -5.538 276 HA THR 32 HA THR 32 6.239 3.411 -3.728 277 HB THR 32 HB THR 32 7.668 1.409 -4.186 278 HG1 THR 32 1HG THR 32 9.160 3.183 -5.812 279 HG21 THR 32 3HG2 THR 32 5.872 2.294 -5.793 280 HG22 THR 32 1HG2 THR 32 7.035 1.111 -6.389 281 HG23 THR 32 2HG2 THR 32 7.234 2.818 -6.783 282 H GLY 33 H GLY 33 9.786 3.808 -3.538 283 HA2 GLY 33 2HA GLY 33 10.094 2.746 -0.968 284 HA3 GLY 33 1HA GLY 33 11.200 3.878 -1.731 285 H ILE 34 H ILE 34 9.170 5.960 -2.010 286 HA ILE 34 HA ILE 34 9.495 7.170 0.567 287 HB ILE 34 HB ILE 34 7.852 8.169 -1.761 288 HG12 ILE 34 2HG1 ILE 34 10.757 8.686 -1.086 289 HG13 ILE 34 1HG1 ILE 34 10.171 7.730 -2.443 290 HG21 ILE 34 1HG2 ILE 34 7.605 10.126 -0.669 291 HG22 ILE 34 2HG2 ILE 34 9.193 10.027 0.092 292 HG23 ILE 34 3HG2 ILE 34 7.837 9.114 0.757 293 HD11 ILE 34 3HD1 ILE 34 10.917 10.171 -2.825 294 HD12 ILE 34 1HD1 ILE 34 9.339 10.580 -2.152 295 HD13 ILE 34 2HD1 ILE 34 9.448 9.585 -3.604 296 H LEU 35 H LEU 35 6.741 5.980 -1.325 297 HA LEU 35 HA LEU 35 4.725 6.694 0.492 298 HB2 LEU 35 2HB LEU 35 4.635 5.785 -1.973 299 HB3 LEU 35 1HB LEU 35 4.497 4.229 -1.179 300 HG LEU 35 HG LEU 35 2.607 6.563 -0.894 301 HD11 LEU 35 1HD1 LEU 35 1.032 4.701 -1.771 302 HD12 LEU 35 2HD1 LEU 35 2.524 3.951 -2.345 303 HD13 LEU 35 3HD1 LEU 35 2.072 5.562 -2.907 304 HD21 LEU 35 3HD2 LEU 35 2.638 5.566 1.229 305 HD22 LEU 35 1HD2 LEU 35 2.772 3.941 0.559 306 HD23 LEU 35 2HD2 LEU 35 1.259 4.835 0.407 307 H ALA 36 H ALA 36 6.622 3.723 0.149 308 HA ALA 36 HA ALA 36 5.312 2.181 2.076 309 HB1 ALA 36 1HB ALA 36 7.725 1.140 2.274 310 HB2 ALA 36 2HB ALA 36 8.023 2.141 0.852 311 HB3 ALA 36 3HB ALA 36 6.750 0.921 0.821 312 H SER 37 H SER 37 7.860 4.591 2.391 313 HA SER 37 HA SER 37 8.363 4.072 5.157 314 HB2 SER 37 2HB SER 37 9.746 5.389 3.242 315 HB3 SER 37 1HB SER 37 9.003 6.753 4.076 316 HG SER 37 HG SER 37 10.579 4.709 5.258 317 H ASP 38 H ASP 38 6.347 6.340 3.362 318 HA ASP 38 HA ASP 38 5.536 7.814 5.679 319 HB2 ASP 38 2HB ASP 38 4.854 7.800 2.790 320 HB3 ASP 38 1HB ASP 38 3.633 8.440 3.885 321 H LEU 39 H LEU 39 4.191 5.160 3.788 322 HA LEU 39 HA LEU 39 1.666 5.088 5.049 323 HB2 LEU 39 2HB LEU 39 2.677 3.876 2.892 324 HB3 LEU 39 1HB LEU 39 2.873 2.568 4.042 325 HG LEU 39 HG LEU 39 0.490 2.547 4.494 326 HD11 LEU 39 1HD1 LEU 39 -0.574 4.500 4.299 327 HD12 LEU 39 2HD1 LEU 39 -0.720 4.099 2.587 328 HD13 LEU 39 3HD1 LEU 39 0.599 5.130 3.142 329 HD21 LEU 39 3HD2 LEU 39 1.519 1.372 2.474 330 HD22 LEU 39 1HD2 LEU 39 0.790 2.654 1.508 331 HD23 LEU 39 2HD2 LEU 39 -0.230 1.592 2.478 332 H GLN 40 H GLN 40 4.716 3.413 5.714 333 HA GLN 40 HA GLN 40 3.647 1.877 7.874 334 HB2 GLN 40 2HB GLN 40 5.912 1.163 8.275 335 HB3 GLN 40 1HB GLN 40 5.619 1.169 6.543 336 HG2 GLN 40 2HG GLN 40 7.420 2.415 6.273 337 HG3 GLN 40 1HG GLN 40 6.637 3.706 7.181 338 HE21 GLN 40 1HE2 GLN 40 8.677 4.348 7.967 339 HE22 GLN 40 2HE2 GLN 40 9.461 3.478 9.237 340 H ARG 41 H ARG 41 5.204 4.998 7.580 341 HA ARG 41 HA ARG 41 5.898 5.367 10.284 342 HB2 ARG 41 2HB ARG 41 6.629 6.765 8.292 343 HB3 ARG 41 1HB ARG 41 5.067 7.564 8.391 344 HG2 ARG 41 2HG ARG 41 6.270 9.011 9.642 345 HG3 ARG 41 1HG ARG 41 5.828 7.876 10.918 346 HD2 ARG 41 2HD ARG 41 7.939 7.114 11.150 347 HD3 ARG 41 1HD ARG 41 8.275 7.211 9.422 348 HE ARG 41 HE ARG 41 8.119 9.814 10.396 349 HH11 ARG 41 1HH1 ARG 41 10.139 6.996 10.787 350 HH12 ARG 41 2HH1 ARG 41 11.562 7.910 11.151 351 HH21 ARG 41 1HH2 ARG 41 9.992 11.022 10.876 352 HH22 ARG 41 2HH2 ARG 41 11.479 10.196 11.203 353 H LEU 42 H LEU 42 2.990 6.311 8.471 354 HA LEU 42 HA LEU 42 1.683 7.404 10.765 355 HB2 LEU 42 2HB LEU 42 -0.335 7.403 9.293 356 HB3 LEU 42 1HB LEU 42 1.049 8.261 8.643 357 HG LEU 42 HG LEU 42 1.411 5.807 7.528 358 HD11 LEU 42 1HD1 LEU 42 -1.567 6.256 7.610 359 HD12 LEU 42 2HD1 LEU 42 -0.705 4.989 8.481 360 HD13 LEU 42 3HD1 LEU 42 -0.716 4.995 6.718 361 HD21 LEU 42 3HD2 LEU 42 -0.436 7.562 6.050 362 HD22 LEU 42 1HD2 LEU 42 1.144 6.926 5.589 363 HD23 LEU 42 2HD2 LEU 42 1.034 8.329 6.651 364 H TYR 43 H TYR 43 1.732 4.281 9.176 365 HA TYR 43 HA TYR 43 -0.117 3.247 11.224 366 HB2 TYR 43 2HB TYR 43 0.319 2.542 8.358 367 HB3 TYR 43 1HB TYR 43 -0.150 1.256 9.464 368 HD1 TYR 43 2HD TYR 43 -2.016 2.612 11.262 369 HD2 TYR 43 1HD TYR 43 -1.545 2.976 7.051 370 HE1 TYR 43 2HE TYR 43 -4.370 3.300 11.064 371 HE2 TYR 43 1HE TYR 43 -3.896 3.666 6.840 372 HH TYR 43 HH TYR 43 -6.112 3.177 8.489 373 H SER 44 H SER 44 2.482 3.635 11.982 374 HA SER 44 HA SER 44 4.242 1.501 11.554 375 HB2 SER 44 2HB SER 44 4.981 2.276 14.016 376 HB3 SER 44 1HB SER 44 5.355 3.218 12.572 377 HG SER 44 HG SER 44 3.278 3.630 14.446 378 H VAL 45 H VAL 45 1.849 2.013 14.133 379 HA VAL 45 HA VAL 45 2.397 -0.396 15.508 380 HB VAL 45 HB VAL 45 0.197 -0.050 16.599 381 HG11 VAL 45 1HG1 VAL 45 2.176 2.188 16.403 382 HG12 VAL 45 2HG1 VAL 45 1.931 1.026 17.706 383 HG13 VAL 45 3HG1 VAL 45 0.762 2.321 17.449 384 HG21 VAL 45 3HG2 VAL 45 -1.161 1.869 16.057 385 HG22 VAL 45 1HG2 VAL 45 -0.956 0.877 14.614 386 HG23 VAL 45 2HG2 VAL 45 -0.025 2.362 14.802 387 H ASP 46 H ASP 46 0.340 0.392 12.796 388 HA ASP 46 HA ASP 46 -1.008 -2.176 12.869 389 HB2 ASP 46 2HB ASP 46 -1.169 0.197 11.014 390 HB3 ASP 46 1HB ASP 46 -2.020 -1.310 10.690 391 H TYR 47 H TYR 47 0.581 -0.526 10.148 392 HA TYR 47 HA TYR 47 1.204 -2.917 8.798 393 HB2 TYR 47 2HB TYR 47 2.054 -0.060 8.512 394 HB3 TYR 47 1HB TYR 47 2.885 -1.305 7.587 395 HD1 TYR 47 1HD TYR 47 0.703 -3.126 6.876 396 HD2 TYR 47 2HD TYR 47 0.778 1.128 6.979 397 HE1 TYR 47 1HE TYR 47 -1.080 -3.058 5.182 398 HE2 TYR 47 2HE TYR 47 -1.004 1.206 5.286 399 HH TYR 47 HH TYR 47 -1.911 -0.254 3.497 400 H GLY 48 H GLY 48 3.419 -0.632 10.423 401 HA2 GLY 48 2HA GLY 48 5.694 -2.262 10.260 402 HA3 GLY 48 1HA GLY 48 5.461 -0.960 11.417 403 H ARG 49 H ARG 49 5.017 -4.392 10.828 404 HA ARG 49 HA ARG 49 5.099 -4.832 13.721 405 HB2 ARG 49 2HB ARG 49 2.830 -5.377 11.972 406 HB3 ARG 49 1HB ARG 49 3.367 -6.809 12.837 407 HG2 ARG 49 2HG ARG 49 3.043 -4.308 14.393 408 HG3 ARG 49 1HG ARG 49 1.584 -5.136 13.844 409 HD2 ARG 49 2HD ARG 49 2.060 -7.052 15.072 410 HD3 ARG 49 1HD ARG 49 3.771 -6.651 15.216 411 HE ARG 49 HE ARG 49 1.653 -5.825 16.954 412 HH11 ARG 49 1HH1 ARG 49 4.787 -4.935 15.700 413 HH12 ARG 49 2HH1 ARG 49 5.189 -3.944 17.061 414 HH21 ARG 49 1HH2 ARG 49 2.181 -4.522 18.745 415 HH22 ARG 49 2HH2 ARG 49 3.709 -3.710 18.791 416 H ARG 50 H ARG 50 4.698 -6.788 10.761 417 HA ARG 50 HA ARG 50 7.151 -8.238 11.505 418 HB2 ARG 50 2HB ARG 50 4.612 -9.428 10.375 419 HB3 ARG 50 1HB ARG 50 6.111 -10.308 10.640 420 HG2 ARG 50 2HG ARG 50 5.066 -10.875 12.557 421 HG3 ARG 50 1HG ARG 50 5.757 -9.345 13.102 422 HD2 ARG 50 2HD ARG 50 3.703 -8.643 13.575 423 HD3 ARG 50 1HD ARG 50 3.327 -8.698 11.854 424 HE ARG 50 HE ARG 50 3.072 -11.248 13.131 425 HH11 ARG 50 1HH1 ARG 50 1.454 -8.219 12.503 426 HH12 ARG 50 2HH1 ARG 50 -0.134 -8.891 12.665 427 HH21 ARG 50 1HH2 ARG 50 0.984 -12.132 13.345 428 HH22 ARG 50 2HH2 ARG 50 -0.402 -11.113 13.143 429 H LYS 51 H LYS 51 8.233 -9.309 9.707 430 HA LYS 51 HA LYS 51 9.375 -9.038 7.745 431 HB2 LYS 51 2HB LYS 51 7.882 -9.285 5.725 432 HB3 LYS 51 1HB LYS 51 7.712 -10.529 6.954 433 HG2 LYS 51 2HG LYS 51 5.682 -9.518 7.764 434 HG3 LYS 51 1HG LYS 51 5.878 -8.160 6.653 435 HD2 LYS 51 2HD LYS 51 5.312 -9.416 4.806 436 HD3 LYS 51 1HD LYS 51 5.797 -10.936 5.561 437 HE2 LYS 51 2HE LYS 51 3.634 -9.675 7.009 438 HE3 LYS 51 1HE LYS 51 3.212 -9.933 5.317 439 HZ1 LYS 51 3HZ LYS 51 2.658 -11.959 6.084 440 HZ2 LYS 51 1HZ LYS 51 3.687 -11.873 7.426 441 HZ3 LYS 51 2HZ LYS 51 4.310 -12.277 5.906 442 H ARG 52 H ARG 52 10.205 -6.946 8.130 443 HA ARG 52 HA ARG 52 8.835 -4.567 7.442 444 HB2 ARG 52 2HB ARG 52 10.856 -4.794 8.959 445 HB3 ARG 52 1HB ARG 52 11.829 -4.935 7.500 446 HG2 ARG 52 2HG ARG 52 10.694 -2.700 6.835 447 HG3 ARG 52 1HG ARG 52 10.341 -2.575 8.559 448 HD2 ARG 52 2HD ARG 52 13.042 -2.809 7.248 449 HD3 ARG 52 1HD ARG 52 12.398 -1.431 8.139 450 HE ARG 52 HE ARG 52 13.600 -3.799 9.238 451 HH11 ARG 52 1HH1 ARG 52 11.421 -1.144 9.859 452 HH12 ARG 52 2HH1 ARG 52 11.625 -1.214 11.576 453 HH21 ARG 52 1HH2 ARG 52 13.869 -3.892 11.498 454 HH22 ARG 52 2HH2 ARG 52 13.016 -2.774 12.508 455 H ASN 53 H ASN 53 11.391 -6.378 5.742 456 HA ASN 53 HA ASN 53 11.523 -4.775 3.465 457 HB2 ASN 53 2HB ASN 53 12.161 -7.661 3.991 458 HB3 ASN 53 1HB ASN 53 12.294 -7.004 2.363 459 HD21 ASN 53 1HD2 ASN 53 14.277 -6.455 1.871 460 HD22 ASN 53 2HD2 ASN 53 15.454 -5.788 2.946 461 H ALA 54 H ALA 54 9.405 -7.503 4.213 462 HA ALA 54 HA ALA 54 8.257 -7.912 1.720 463 HB1 ALA 54 1HB ALA 54 6.382 -8.908 2.894 464 HB2 ALA 54 2HB ALA 54 6.882 -8.130 4.396 465 HB3 ALA 54 3HB ALA 54 7.899 -9.371 3.665 466 H PHE 55 H PHE 55 7.384 -5.573 4.233 467 HA PHE 55 HA PHE 55 5.049 -4.584 3.047 468 HB2 PHE 55 2HB PHE 55 5.805 -4.109 5.383 469 HB3 PHE 55 1HB PHE 55 7.018 -3.016 4.725 470 HD1 PHE 55 1HD PHE 55 3.344 -3.628 4.473 471 HD2 PHE 55 2HD PHE 55 6.504 -0.784 4.672 472 HE1 PHE 55 1HE PHE 55 1.695 -1.802 4.480 473 HE2 PHE 55 2HE PHE 55 4.860 1.047 4.681 474 HZ PHE 55 HZ PHE 55 2.452 0.539 4.586 475 H ARG 56 H ARG 56 8.434 -3.640 2.649 476 HA ARG 56 HA ARG 56 8.033 -1.379 1.049 477 HB2 ARG 56 2HB ARG 56 10.290 -3.285 1.470 478 HB3 ARG 56 1HB ARG 56 10.382 -2.171 0.113 479 HG2 ARG 56 2HG ARG 56 9.640 -0.963 2.689 480 HG3 ARG 56 1HG ARG 56 11.275 -1.620 2.594 481 HD2 ARG 56 2HD ARG 56 11.568 -0.319 0.470 482 HD3 ARG 56 1HD ARG 56 10.020 0.455 0.806 483 HE ARG 56 HE ARG 56 11.419 0.881 3.076 484 HH11 ARG 56 1HH1 ARG 56 12.130 1.441 -0.295 485 HH12 ARG 56 2HH1 ARG 56 13.148 2.806 0.017 486 HH21 ARG 56 1HH2 ARG 56 12.760 2.676 3.489 487 HH22 ARG 56 2HH2 ARG 56 13.507 3.507 2.165 488 H ILE 57 H ILE 57 8.487 -4.784 0.159 489 HA ILE 57 HA ILE 57 8.368 -4.378 -2.639 490 HB ILE 57 HB ILE 57 7.609 -6.895 -1.153 491 HG12 ILE 57 2HG1 ILE 57 10.317 -6.657 -2.293 492 HG13 ILE 57 1HG1 ILE 57 10.011 -5.621 -0.902 493 HG21 ILE 57 1HG2 ILE 57 7.938 -8.049 -3.140 494 HG22 ILE 57 2HG2 ILE 57 8.870 -6.738 -3.864 495 HG23 ILE 57 3HG2 ILE 57 7.125 -6.575 -3.667 496 HD11 ILE 57 3HD1 ILE 57 9.844 -7.368 0.532 497 HD12 ILE 57 1HD1 ILE 57 10.931 -8.084 -0.658 498 HD13 ILE 57 2HD1 ILE 57 9.210 -8.463 -0.696 499 H GLN 58 H GLN 58 5.927 -5.045 -0.189 500 HA GLN 58 HA GLN 58 3.766 -5.589 -1.890 501 HB2 GLN 58 2HB GLN 58 4.187 -5.171 0.907 502 HB3 GLN 58 1HB GLN 58 2.801 -4.215 0.405 503 HG2 GLN 58 2HG GLN 58 1.577 -6.068 -0.214 504 HG3 GLN 58 1HG GLN 58 3.010 -7.075 -0.417 505 HE21 GLN 58 1HE2 GLN 58 0.417 -7.102 1.270 506 HE22 GLN 58 2HE2 GLN 58 0.981 -7.564 2.836 507 H VAL 59 H VAL 59 4.921 -2.533 -0.509 508 HA VAL 59 HA VAL 59 2.872 -0.925 -1.626 509 HB VAL 59 HB VAL 59 5.654 -0.049 -0.838 510 HG11 VAL 59 1HG1 VAL 59 3.766 1.395 -2.140 511 HG12 VAL 59 2HG1 VAL 59 4.977 2.084 -1.059 512 HG13 VAL 59 3HG1 VAL 59 3.354 1.739 -0.460 513 HG21 VAL 59 3HG2 VAL 59 4.099 -1.342 0.859 514 HG22 VAL 59 1HG2 VAL 59 3.316 0.234 0.980 515 HG23 VAL 59 2HG2 VAL 59 5.030 0.071 1.361 516 H GLU 60 H GLU 60 6.006 -2.006 -2.774 517 HA GLU 60 HA GLU 60 6.293 -0.254 -4.949 518 HB2 GLU 60 2HB GLU 60 7.311 -3.050 -4.457 519 HB3 GLU 60 1HB GLU 60 7.728 -2.137 -5.901 520 HG2 GLU 60 2HG GLU 60 8.222 -0.448 -3.704 521 HG3 GLU 60 1HG GLU 60 8.891 -2.029 -3.300 522 H LYS 61 H LYS 61 4.870 -3.507 -4.771 523 HA LYS 61 HA LYS 61 4.068 -3.521 -7.513 524 HB2 LYS 61 2HB LYS 61 3.722 -5.299 -5.162 525 HB3 LYS 61 1HB LYS 61 2.526 -5.443 -6.443 526 HG2 LYS 61 2HG LYS 61 4.233 -7.047 -6.848 527 HG3 LYS 61 1HG LYS 61 4.400 -5.770 -8.055 528 HD2 LYS 61 2HD LYS 61 6.434 -5.186 -7.316 529 HD3 LYS 61 1HD LYS 61 5.944 -5.283 -5.624 530 HE2 LYS 61 2HE LYS 61 6.720 -7.591 -7.403 531 HE3 LYS 61 1HE LYS 61 7.686 -6.908 -6.097 532 HZ1 LYS 61 3HZ LYS 61 6.696 -8.733 -5.121 533 HZ2 LYS 61 1HZ LYS 61 5.225 -8.520 -5.928 534 HZ3 LYS 61 2HZ LYS 61 5.651 -7.486 -4.659 535 H VAL 62 H VAL 62 2.535 -2.691 -4.463 536 HA VAL 62 HA VAL 62 -0.102 -2.476 -5.494 537 HB VAL 62 HB VAL 62 1.210 -1.483 -2.979 538 HG11 VAL 62 1HG1 VAL 62 -1.368 -0.629 -4.144 539 HG12 VAL 62 2HG1 VAL 62 -0.300 0.205 -3.015 540 HG13 VAL 62 3HG1 VAL 62 -1.382 -1.061 -2.434 541 HG21 VAL 62 3HG2 VAL 62 -1.084 -3.058 -2.517 542 HG22 VAL 62 1HG2 VAL 62 0.606 -3.493 -2.256 543 HG23 VAL 62 2HG2 VAL 62 -0.169 -3.847 -3.802 544 H PHE 63 H PHE 63 2.620 -0.291 -5.286 545 HA PHE 63 HA PHE 63 1.155 2.089 -5.841 546 HB2 PHE 63 2HB PHE 63 3.468 1.941 -4.795 547 HB3 PHE 63 1HB PHE 63 4.082 1.621 -6.415 548 HD1 PHE 63 2HD PHE 63 1.911 4.082 -4.639 549 HD2 PHE 63 1HD PHE 63 4.850 3.401 -7.641 550 HE1 PHE 63 2HE PHE 63 2.034 6.503 -5.064 551 HE2 PHE 63 1HE PHE 63 4.980 5.820 -8.069 552 HZ PHE 63 HZ PHE 63 3.570 7.374 -6.781 553 H SER 64 H SER 64 2.936 -0.239 -7.809 554 HA SER 64 HA SER 64 2.567 1.191 -10.256 555 HB2 SER 64 2HB SER 64 3.170 -1.282 -11.113 556 HB3 SER 64 1HB SER 64 4.388 -0.165 -10.499 557 HG SER 64 HG SER 64 3.019 -1.998 -8.833 558 H ILE 65 H ILE 65 0.822 -1.326 -8.549 559 HA ILE 65 HA ILE 65 -0.858 -2.009 -10.765 560 HB ILE 65 HB ILE 65 -0.302 -3.510 -8.788 561 HG12 ILE 65 2HG1 ILE 65 -3.230 -3.211 -9.482 562 HG13 ILE 65 1HG1 ILE 65 -2.035 -3.980 -10.523 563 HG21 ILE 65 1HG2 ILE 65 -0.925 -1.746 -7.095 564 HG22 ILE 65 2HG2 ILE 65 -1.554 -3.364 -6.793 565 HG23 ILE 65 3HG2 ILE 65 -2.609 -2.115 -7.459 566 HD11 ILE 65 3HD1 ILE 65 -1.594 -5.494 -8.471 567 HD12 ILE 65 1HD1 ILE 65 -3.020 -5.774 -9.470 568 HD13 ILE 65 2HD1 ILE 65 -3.174 -4.923 -7.933 569 H ILE 66 H ILE 66 -1.265 0.027 -7.874 570 HA ILE 66 HA ILE 66 -3.966 0.622 -8.176 571 HB ILE 66 HB ILE 66 -3.508 2.725 -6.952 572 HG12 ILE 66 2HG1 ILE 66 -0.619 1.856 -7.176 573 HG13 ILE 66 1HG1 ILE 66 -1.334 3.256 -7.967 574 HG21 ILE 66 1HG2 ILE 66 -3.833 1.212 -5.332 575 HG22 ILE 66 2HG2 ILE 66 -2.093 1.348 -5.079 576 HG23 ILE 66 3HG2 ILE 66 -2.740 0.042 -6.071 577 HD11 ILE 66 3HD1 ILE 66 -0.355 4.246 -6.166 578 HD12 ILE 66 1HD1 ILE 66 -0.604 2.848 -5.120 579 HD13 ILE 66 2HD1 ILE 66 -1.955 3.915 -5.504 580 H SER 67 H SER 67 -1.154 1.999 -9.772 581 HA SER 67 HA SER 67 -2.600 4.123 -11.033 582 HB2 SER 67 2HB SER 67 -0.257 4.459 -10.683 583 HB3 SER 67 1HB SER 67 0.145 2.956 -11.514 584 HG SER 67 HG SER 67 0.476 4.708 -12.893 585 H SER 68 H SER 68 -1.424 0.940 -12.069 586 HA SER 68 HA SER 68 -2.381 1.227 -14.745 587 HB2 SER 68 2HB SER 68 -0.564 -0.270 -14.440 588 HB3 SER 68 1HB SER 68 -1.396 -1.135 -13.146 589 HG SER 68 HG SER 68 -2.225 -1.062 -15.861 590 H GLU 69 H GLU 69 -3.524 -0.633 -11.935 591 HA GLU 69 HA GLU 69 -5.801 -1.700 -13.193 592 HB2 GLU 69 2HB GLU 69 -4.963 -1.339 -10.341 593 HB3 GLU 69 1HB GLU 69 -6.599 -1.867 -10.705 594 HG2 GLU 69 2HG GLU 69 -5.516 -3.689 -12.118 595 HG3 GLU 69 1HG GLU 69 -4.012 -3.253 -11.307 596 H LYS 70 H LYS 70 -5.456 1.128 -11.050 597 HA LYS 70 HA LYS 70 -8.227 1.852 -11.430 598 HB2 LYS 70 2HB LYS 70 -6.136 3.585 -10.138 599 HB3 LYS 70 1HB LYS 70 -7.869 3.555 -9.841 600 HG2 LYS 70 2HG LYS 70 -5.951 1.346 -9.125 601 HG3 LYS 70 1HG LYS 70 -6.577 2.560 -8.008 602 HD2 LYS 70 2HD LYS 70 -8.692 1.227 -9.490 603 HD3 LYS 70 1HD LYS 70 -7.707 0.093 -8.564 604 HE2 LYS 70 2HE LYS 70 -8.826 0.670 -6.736 605 HE3 LYS 70 1HE LYS 70 -8.177 2.302 -6.884 606 HZ1 LYS 70 3HZ LYS 70 -10.701 1.296 -8.084 607 HZ2 LYS 70 1HZ LYS 70 -10.064 2.843 -8.338 608 HZ3 LYS 70 2HZ LYS 70 -10.564 2.377 -6.790 609 H GLU 71 H GLU 71 -5.087 3.346 -12.231 610 HA GLU 71 HA GLU 71 -4.471 4.767 -13.902 611 HB2 GLU 71 2HB GLU 71 -6.780 3.342 -15.014 612 HB3 GLU 71 1HB GLU 71 -6.526 4.929 -15.727 613 HG2 GLU 71 2HG GLU 71 -4.583 4.327 -16.721 614 HG3 GLU 71 1HG GLU 71 -4.152 3.188 -15.447 615 H LEU 72 H LEU 72 -4.393 6.889 -13.696 616 HA LEU 72 HA LEU 72 -6.360 8.357 -12.299 617 HB2 LEU 72 2HB LEU 72 -3.962 9.173 -13.919 618 HB3 LEU 72 1HB LEU 72 -5.006 10.353 -13.151 619 HG LEU 72 HG LEU 72 -2.982 9.861 -11.827 620 HD11 LEU 72 1HD1 LEU 72 -5.582 8.996 -10.571 621 HD12 LEU 72 2HD1 LEU 72 -4.966 10.645 -10.687 622 HD13 LEU 72 3HD1 LEU 72 -4.127 9.459 -9.688 623 HD21 LEU 72 3HD2 LEU 72 -2.856 7.457 -12.544 624 HD22 LEU 72 1HD2 LEU 72 -4.159 7.123 -11.404 625 HD23 LEU 72 2HD2 LEU 72 -2.614 7.741 -10.820 626 H LYS 73 H LYS 73 -5.320 8.640 -15.702 627 HA LYS 73 HA LYS 73 -8.083 9.253 -16.442 628 HB2 LYS 73 2HB LYS 73 -6.182 11.257 -16.166 629 HB3 LYS 73 1HB LYS 73 -6.191 10.929 -17.893 630 HG2 LYS 73 2HG LYS 73 -8.858 11.030 -17.324 631 HG3 LYS 73 1HG LYS 73 -8.193 12.232 -16.216 632 HD2 LYS 73 2HD LYS 73 -8.433 13.579 -18.023 633 HD3 LYS 73 1HD LYS 73 -6.858 12.902 -18.439 634 HE2 LYS 73 2HE LYS 73 -9.374 11.545 -19.324 635 HE3 LYS 73 1HE LYS 73 -8.749 12.930 -20.218 636 HZ1 LYS 73 3HZ LYS 73 -7.719 10.225 -20.039 637 HZ2 LYS 73 1HZ LYS 73 -6.549 11.445 -19.979 638 HZ3 LYS 73 2HZ LYS 73 -7.602 11.348 -21.299 639 H ASN 74 H ASN 74 -4.919 9.349 -18.080 640 HA ASN 74 HA ASN 74 -6.018 7.580 -20.143 641 HB2 ASN 74 2HB ASN 74 -4.763 9.912 -20.502 642 HB3 ASN 74 1HB ASN 74 -3.351 8.860 -20.472 643 HD21 ASN 74 1HD2 ASN 74 -2.993 7.453 -22.140 644 HD22 ASN 74 2HD2 ASN 74 -3.903 7.477 -23.609 Start of MODEL 17 1 H MET 1 H MET 1 -23.215 -22.809 1.314 2 HA MET 1 HA MET 1 -22.660 -20.740 2.372 3 HB2 MET 1 2HB MET 1 -20.724 -21.805 0.306 4 HB3 MET 1 1HB MET 1 -20.265 -20.770 1.650 5 HG2 MET 1 2HG MET 1 -21.429 -23.538 1.824 6 HG3 MET 1 1HG MET 1 -19.768 -23.062 2.174 7 HE1 MET 1 2HE MET 1 -23.579 -22.673 4.370 8 HE2 MET 1 3HE MET 1 -22.682 -24.143 4.750 9 HE3 MET 1 1HE MET 1 -23.048 -23.743 3.072 10 H LYS 2 H LYS 2 -21.000 -18.841 1.749 11 HA LYS 2 HA LYS 2 -22.378 -17.292 -0.334 12 HB2 LYS 2 2HB LYS 2 -21.339 -16.649 2.325 13 HB3 LYS 2 1HB LYS 2 -20.855 -15.490 1.095 14 HG2 LYS 2 2HG LYS 2 -22.811 -14.539 1.716 15 HG3 LYS 2 1HG LYS 2 -23.433 -15.640 0.485 16 HD2 LYS 2 2HD LYS 2 -23.238 -16.424 3.381 17 HD3 LYS 2 1HD LYS 2 -24.650 -15.590 2.728 18 HE2 LYS 2 2HE LYS 2 -24.381 -17.558 0.911 19 HE3 LYS 2 1HE LYS 2 -23.730 -18.367 2.336 20 HZ1 LYS 2 3HZ LYS 2 -25.738 -18.092 3.485 21 HZ2 LYS 2 1HZ LYS 2 -26.198 -18.586 1.933 22 HZ3 LYS 2 2HZ LYS 2 -26.333 -16.960 2.379 23 HA PRO 3 HA PRO 3 -18.665 -17.311 -2.743 24 HB2 PRO 3 2HB PRO 3 -19.141 -15.207 -4.360 25 HB3 PRO 3 1HB PRO 3 -20.040 -16.722 -4.500 26 HG2 PRO 3 2HG PRO 3 -20.838 -14.161 -3.172 27 HG3 PRO 3 1HG PRO 3 -21.799 -15.228 -4.211 28 HD2 PRO 3 2HD PRO 3 -21.972 -15.240 -1.491 29 HD3 PRO 3 1HD PRO 3 -22.282 -16.673 -2.492 30 H ARG 4 H ARG 4 -17.124 -16.790 -1.141 31 HA ARG 4 HA ARG 4 -15.928 -14.199 -1.462 32 HB2 ARG 4 2HB ARG 4 -17.807 -14.219 0.460 33 HB3 ARG 4 1HB ARG 4 -16.439 -14.803 1.396 34 HG2 ARG 4 2HG ARG 4 -16.600 -12.420 1.620 35 HG3 ARG 4 1HG ARG 4 -15.151 -12.819 0.695 36 HD2 ARG 4 2HD ARG 4 -17.268 -12.520 -1.154 37 HD3 ARG 4 1HD ARG 4 -17.354 -11.157 -0.041 38 HE ARG 4 HE ARG 4 -14.734 -11.250 -0.690 39 HH11 ARG 4 1HH1 ARG 4 -17.657 -11.192 -2.596 40 HH12 ARG 4 2HH1 ARG 4 -16.921 -10.368 -3.929 41 HH21 ARG 4 1HH2 ARG 4 -13.764 -10.164 -2.442 42 HH22 ARG 4 2HH2 ARG 4 -14.711 -9.784 -3.842 43 HA PRO 5 HA PRO 5 -12.946 -17.715 -0.974 44 HB2 PRO 5 2HB PRO 5 -11.327 -15.600 -2.312 45 HB3 PRO 5 1HB PRO 5 -11.421 -17.331 -2.656 46 HG2 PRO 5 2HG PRO 5 -12.637 -15.569 -4.236 47 HG3 PRO 5 1HG PRO 5 -13.403 -17.120 -3.847 48 HD2 PRO 5 2HD PRO 5 -14.000 -14.392 -2.795 49 HD3 PRO 5 1HD PRO 5 -15.107 -15.737 -3.142 50 H GLY 6 H GLY 6 -11.827 -14.325 -0.815 51 HA2 GLY 6 2HA GLY 6 -11.525 -13.778 1.754 52 HA3 GLY 6 1HA GLY 6 -10.266 -14.988 1.563 53 H VAL 7 H VAL 7 -10.965 -11.729 1.440 54 HA VAL 7 HA VAL 7 -8.443 -11.193 0.016 55 HB VAL 7 HB VAL 7 -10.871 -9.400 -0.084 56 HG11 VAL 7 1HG1 VAL 7 -9.244 -7.932 -0.606 57 HG12 VAL 7 2HG1 VAL 7 -9.311 -8.716 -2.185 58 HG13 VAL 7 3HG1 VAL 7 -8.086 -9.199 -1.012 59 HG21 VAL 7 3HG2 VAL 7 -9.842 -11.053 -2.371 60 HG22 VAL 7 1HG2 VAL 7 -11.385 -10.213 -2.220 61 HG23 VAL 7 2HG2 VAL 7 -11.072 -11.662 -1.264 62 H PHE 8 H PHE 8 -7.792 -11.396 2.382 63 HA PHE 8 HA PHE 8 -7.812 -8.706 3.549 64 HB2 PHE 8 2HB PHE 8 -8.853 -11.181 4.769 65 HB3 PHE 8 1HB PHE 8 -7.776 -10.245 5.800 66 HD1 PHE 8 2HD PHE 8 -10.987 -10.277 4.045 67 HD2 PHE 8 1HD PHE 8 -8.408 -8.069 6.612 68 HE1 PHE 8 2HE PHE 8 -12.846 -8.765 4.604 69 HE2 PHE 8 1HE PHE 8 -10.262 -6.552 7.175 70 HZ PHE 8 HZ PHE 8 -12.484 -6.899 6.170 71 H VAL 9 H VAL 9 -5.851 -10.224 1.985 72 HA VAL 9 HA VAL 9 -3.772 -10.883 3.916 73 HB VAL 9 HB VAL 9 -3.579 -10.933 0.904 74 HG11 VAL 9 1HG1 VAL 9 -1.413 -11.161 1.495 75 HG12 VAL 9 2HG1 VAL 9 -1.893 -12.831 1.790 76 HG13 VAL 9 3HG1 VAL 9 -1.803 -11.690 3.131 77 HG21 VAL 9 3HG2 VAL 9 -4.814 -12.825 2.811 78 HG22 VAL 9 1HG2 VAL 9 -3.793 -13.522 1.553 79 HG23 VAL 9 2HG2 VAL 9 -5.178 -12.525 1.112 80 H ASP 10 H ASP 10 -3.781 -8.950 0.914 81 HA ASP 10 HA ASP 10 -2.421 -6.789 2.332 82 HB2 ASP 10 2HB ASP 10 -0.682 -6.615 0.607 83 HB3 ASP 10 1HB ASP 10 -0.616 -8.175 1.422 84 H ARG 11 H ARG 11 -5.045 -7.423 0.826 85 HA ARG 11 HA ARG 11 -5.077 -5.740 -1.461 86 HB2 ARG 11 2HB ARG 11 -6.772 -7.609 -0.487 87 HB3 ARG 11 1HB ARG 11 -7.607 -6.146 0.018 88 HG2 ARG 11 2HG ARG 11 -8.550 -6.430 -2.026 89 HG3 ARG 11 1HG ARG 11 -7.159 -5.448 -2.490 90 HD2 ARG 11 2HD ARG 11 -6.020 -7.253 -3.387 91 HD3 ARG 11 1HD ARG 11 -6.935 -8.429 -2.444 92 HE ARG 11 HE ARG 11 -8.531 -8.460 -4.088 93 HH11 ARG 11 1HH1 ARG 11 -6.443 -5.709 -4.583 94 HH12 ARG 11 2HH1 ARG 11 -7.111 -5.322 -6.132 95 HH21 ARG 11 1HH2 ARG 11 -9.413 -7.953 -6.126 96 HH22 ARG 11 2HH2 ARG 11 -8.798 -6.596 -7.008 97 H LYS 12 H LYS 12 -5.590 -5.215 1.954 98 HA LYS 12 HA LYS 12 -6.909 -2.755 1.876 99 HB2 LYS 12 2HB LYS 12 -5.176 -4.153 3.856 100 HB3 LYS 12 1HB LYS 12 -5.502 -2.445 4.112 101 HG2 LYS 12 2HG LYS 12 -7.764 -2.789 4.438 102 HG3 LYS 12 1HG LYS 12 -7.754 -4.337 3.590 103 HD2 LYS 12 2HD LYS 12 -6.283 -5.188 5.482 104 HD3 LYS 12 1HD LYS 12 -6.718 -3.711 6.345 105 HE2 LYS 12 2HE LYS 12 -8.525 -5.935 5.430 106 HE3 LYS 12 1HE LYS 12 -8.225 -5.383 7.078 107 HZ1 LYS 12 3HZ LYS 12 -9.327 -3.302 6.544 108 HZ2 LYS 12 1HZ LYS 12 -10.361 -4.610 6.253 109 HZ3 LYS 12 2HZ LYS 12 -9.607 -3.823 4.960 110 H LEU 13 H LEU 13 -3.515 -3.560 1.500 111 HA LEU 13 HA LEU 13 -2.378 -1.037 1.813 112 HB2 LEU 13 2HB LEU 13 -1.355 -3.434 1.336 113 HB3 LEU 13 1HB LEU 13 -1.344 -2.846 -0.315 114 HG LEU 13 HG LEU 13 0.813 -2.438 0.638 115 HD11 LEU 13 1HD1 LEU 13 1.069 -0.269 -0.019 116 HD12 LEU 13 2HD1 LEU 13 -0.370 0.280 0.839 117 HD13 LEU 13 3HD1 LEU 13 -0.532 -0.594 -0.684 118 HD21 LEU 13 3HD2 LEU 13 1.058 -0.972 2.635 119 HD22 LEU 13 1HD2 LEU 13 0.312 -2.533 2.978 120 HD23 LEU 13 2HD2 LEU 13 -0.686 -1.083 2.873 121 H LYS 14 H LYS 14 -3.894 -2.521 -1.010 122 HA LYS 14 HA LYS 14 -3.275 -0.365 -2.779 123 HB2 LYS 14 2HB LYS 14 -3.822 -2.778 -3.420 124 HB3 LYS 14 1HB LYS 14 -5.506 -2.359 -3.141 125 HG2 LYS 14 2HG LYS 14 -4.934 -0.381 -4.783 126 HG3 LYS 14 1HG LYS 14 -3.669 -1.495 -5.308 127 HD2 LYS 14 2HD LYS 14 -5.542 -1.907 -6.700 128 HD3 LYS 14 1HD LYS 14 -5.479 -3.242 -5.547 129 HE2 LYS 14 2HE LYS 14 -7.085 -1.698 -4.159 130 HE3 LYS 14 1HE LYS 14 -7.409 -0.975 -5.735 131 HZ1 LYS 14 3HZ LYS 14 -7.971 -3.709 -4.798 132 HZ2 LYS 14 1HZ LYS 14 -7.760 -3.416 -6.452 133 HZ3 LYS 14 2HZ LYS 14 -8.989 -2.623 -5.604 134 H GLN 15 H GLN 15 -6.264 -1.415 -1.161 135 HA GLN 15 HA GLN 15 -7.892 0.683 -2.025 136 HB2 GLN 15 2HB GLN 15 -8.666 -1.433 -0.936 137 HB3 GLN 15 1HB GLN 15 -8.109 -0.790 0.603 138 HG2 GLN 15 2HG GLN 15 -10.247 -0.129 0.776 139 HG3 GLN 15 1HG GLN 15 -9.674 1.235 -0.182 140 HE21 GLN 15 1HE2 GLN 15 -10.683 -2.111 -0.822 141 HE22 GLN 15 2HE2 GLN 15 -11.769 -1.718 -2.107 142 H ARG 16 H ARG 16 -5.871 0.391 0.873 143 HA ARG 16 HA ARG 16 -6.655 2.849 2.029 144 HB2 ARG 16 2HB ARG 16 -5.326 0.800 3.019 145 HB3 ARG 16 1HB ARG 16 -3.924 1.719 2.488 146 HG2 ARG 16 2HG ARG 16 -4.053 3.050 4.252 147 HG3 ARG 16 1HG ARG 16 -5.743 3.425 3.911 148 HD2 ARG 16 2HD ARG 16 -4.662 1.101 5.495 149 HD3 ARG 16 1HD ARG 16 -5.613 2.458 6.098 150 HE ARG 16 HE ARG 16 -7.004 1.014 4.076 151 HH11 ARG 16 1HH1 ARG 16 -6.137 0.942 7.456 152 HH12 ARG 16 2HH1 ARG 16 -7.498 -0.025 7.913 153 HH21 ARG 16 1HH2 ARG 16 -8.796 -0.259 4.676 154 HH22 ARG 16 2HH2 ARG 16 -9.008 -0.708 6.335 155 H VAL 17 H VAL 17 -4.042 1.952 -0.173 156 HA VAL 17 HA VAL 17 -2.753 4.479 -0.144 157 HB VAL 17 HB VAL 17 -2.634 2.123 -2.008 158 HG11 VAL 17 1HG1 VAL 17 -2.213 3.689 -3.624 159 HG12 VAL 17 2HG1 VAL 17 -0.593 3.493 -2.956 160 HG13 VAL 17 3HG1 VAL 17 -1.584 4.871 -2.476 161 HG21 VAL 17 3HG2 VAL 17 -0.323 3.356 -0.587 162 HG22 VAL 17 1HG2 VAL 17 -0.604 1.672 -1.032 163 HG23 VAL 17 2HG2 VAL 17 -1.478 2.383 0.327 164 H ILE 18 H ILE 18 -4.971 2.978 -2.517 165 HA ILE 18 HA ILE 18 -5.119 5.090 -4.303 166 HB ILE 18 HB ILE 18 -7.311 4.231 -4.991 167 HG12 ILE 18 2HG1 ILE 18 -7.056 2.385 -2.605 168 HG13 ILE 18 1HG1 ILE 18 -8.197 3.719 -2.743 169 HG21 ILE 18 1HG2 ILE 18 -5.924 1.693 -4.552 170 HG22 ILE 18 2HG2 ILE 18 -4.898 2.979 -5.189 171 HG23 ILE 18 3HG2 ILE 18 -6.361 2.506 -6.054 172 HD11 ILE 18 3HD1 ILE 18 -9.064 2.525 -4.822 173 HD12 ILE 18 1HD1 ILE 18 -9.442 1.820 -3.250 174 HD13 ILE 18 2HD1 ILE 18 -8.156 1.129 -4.240 175 H GLN 19 H GLN 19 -6.924 4.580 -1.311 176 HA GLN 19 HA GLN 19 -8.615 6.854 -1.646 177 HB2 GLN 19 2HB GLN 19 -7.910 5.228 0.801 178 HB3 GLN 19 1HB GLN 19 -9.127 6.497 0.778 179 HG2 GLN 19 2HG GLN 19 -9.634 4.668 -1.355 180 HG3 GLN 19 1HG GLN 19 -9.437 3.774 0.151 181 HE21 GLN 19 1HE2 GLN 19 -11.690 5.003 -1.756 182 HE22 GLN 19 2HE2 GLN 19 -12.899 5.444 -0.602 183 H TYR 20 H TYR 20 -5.467 6.301 -0.245 184 HA TYR 20 HA TYR 20 -5.317 8.739 1.216 185 HB2 TYR 20 2HB TYR 20 -3.431 6.575 0.453 186 HB3 TYR 20 1HB TYR 20 -2.729 8.134 0.873 187 HD1 TYR 20 1HD TYR 20 -5.753 6.525 2.322 188 HD2 TYR 20 2HD TYR 20 -1.712 7.703 2.940 189 HE1 TYR 20 1HE TYR 20 -5.961 5.969 4.708 190 HE2 TYR 20 2HE TYR 20 -1.908 7.149 5.328 191 HH TYR 20 HH TYR 20 -3.607 5.386 6.674 192 H LEU 21 H LEU 21 -4.305 7.756 -2.025 193 HA LEU 21 HA LEU 21 -2.971 10.214 -2.606 194 HB2 LEU 21 2HB LEU 21 -4.066 8.448 -4.752 195 HB3 LEU 21 1HB LEU 21 -2.575 9.368 -4.729 196 HG LEU 21 HG LEU 21 -2.615 7.267 -2.704 197 HD11 LEU 21 1HD1 LEU 21 -3.081 5.438 -3.890 198 HD12 LEU 21 2HD1 LEU 21 -2.207 6.025 -5.303 199 HD13 LEU 21 3HD1 LEU 21 -3.876 6.522 -5.029 200 HD21 LEU 21 3HD2 LEU 21 -0.413 6.906 -3.426 201 HD22 LEU 21 1HD2 LEU 21 -0.667 8.647 -3.571 202 HD23 LEU 21 2HD2 LEU 21 -0.726 7.624 -5.008 203 H SER 22 H SER 22 -6.138 8.861 -3.475 204 HA SER 22 HA SER 22 -7.033 10.995 -5.047 205 HB2 SER 22 2HB SER 22 -8.232 8.919 -5.107 206 HB3 SER 22 1HB SER 22 -8.553 8.989 -3.374 207 HG SER 22 HG SER 22 -10.250 9.702 -4.996 208 H SER 23 H SER 23 -7.551 10.356 -1.583 209 HA SER 23 HA SER 23 -9.057 12.657 -1.042 210 HB2 SER 23 2HB SER 23 -7.454 10.751 0.610 211 HB3 SER 23 1HB SER 23 -7.988 12.260 1.350 212 HG SER 23 HG SER 23 -9.538 10.645 1.659 213 H ASN 24 H ASN 24 -5.613 12.144 -1.306 214 HA ASN 24 HA ASN 24 -5.094 14.921 -1.575 215 HB2 ASN 24 2HB ASN 24 -3.483 14.954 0.453 216 HB3 ASN 24 1HB ASN 24 -5.203 15.189 0.746 217 HD21 ASN 24 1HD2 ASN 24 -2.814 12.575 0.523 218 HD22 ASN 24 2HD2 ASN 24 -3.443 11.658 1.844 219 H ARG 25 H ARG 25 -2.884 15.373 -2.110 220 HA ARG 25 HA ARG 25 -1.662 13.373 -3.654 221 HB2 ARG 25 2HB ARG 25 -0.630 16.011 -2.615 222 HB3 ARG 25 1HB ARG 25 0.295 14.985 -3.702 223 HG2 ARG 25 2HG ARG 25 -2.173 15.215 -4.936 224 HG3 ARG 25 1HG ARG 25 -1.866 16.821 -4.274 225 HD2 ARG 25 2HD ARG 25 0.346 15.439 -5.704 226 HD3 ARG 25 1HD ARG 25 -0.978 16.102 -6.661 227 HE ARG 25 HE ARG 25 -0.298 18.160 -5.047 228 HH11 ARG 25 1HH1 ARG 25 1.543 16.090 -7.169 229 HH12 ARG 25 2HH1 ARG 25 2.724 17.303 -7.532 230 HH21 ARG 25 1HH2 ARG 25 1.255 19.757 -5.522 231 HH22 ARG 25 2HH2 ARG 25 2.561 19.385 -6.596 232 H CYS 26 H CYS 26 -1.162 14.406 -0.345 233 HA CYS 26 HA CYS 26 0.059 13.543 1.368 234 HB2 CYS 26 2HB CYS 26 -1.129 11.447 0.529 235 HB3 CYS 26 1HB CYS 26 0.373 11.046 -0.297 236 HG CYS 26 HG CYS 26 0.495 9.841 1.947 237 H GLY 27 H GLY 27 1.391 14.990 -0.778 238 HA2 GLY 27 2HA GLY 27 3.887 15.305 -0.160 239 HA3 GLY 27 1HA GLY 27 4.030 13.693 -0.846 240 H LYS 28 H LYS 28 5.287 14.172 -2.589 241 HA LYS 28 HA LYS 28 4.007 15.793 -4.676 242 HB2 LYS 28 2HB LYS 28 6.721 16.127 -3.504 243 HB3 LYS 28 1HB LYS 28 6.560 16.339 -5.242 244 HG2 LYS 28 2HG LYS 28 5.498 18.300 -5.032 245 HG3 LYS 28 1HG LYS 28 4.545 17.753 -3.651 246 HD2 LYS 28 2HD LYS 28 6.355 18.162 -2.148 247 HD3 LYS 28 1HD LYS 28 7.469 18.459 -3.484 248 HE2 LYS 28 2HE LYS 28 6.291 20.469 -4.086 249 HE3 LYS 28 1HE LYS 28 5.040 20.141 -2.888 250 HZ1 LYS 28 3HZ LYS 28 7.767 21.135 -2.505 251 HZ2 LYS 28 1HZ LYS 28 7.105 20.158 -1.290 252 HZ3 LYS 28 2HZ LYS 28 6.332 21.595 -1.735 253 H TYR 29 H TYR 29 6.795 13.648 -4.078 254 HA TYR 29 HA TYR 29 6.045 12.161 -6.505 255 HB2 TYR 29 2HB TYR 29 8.274 13.726 -6.349 256 HB3 TYR 29 1HB TYR 29 8.914 12.171 -5.829 257 HD1 TYR 29 2HD TYR 29 7.146 13.893 -8.592 258 HD2 TYR 29 1HD TYR 29 9.324 10.442 -7.388 259 HE1 TYR 29 2HE TYR 29 7.307 13.181 -10.940 260 HE2 TYR 29 1HE TYR 29 9.492 9.721 -9.733 261 HH TYR 29 HH TYR 29 9.382 11.196 -12.124 262 H VAL 30 H VAL 30 5.222 11.507 -3.912 263 HA VAL 30 HA VAL 30 6.819 9.729 -2.498 264 HB VAL 30 HB VAL 30 4.694 10.548 -1.625 265 HG11 VAL 30 1HG1 VAL 30 2.690 10.289 -2.607 266 HG12 VAL 30 2HG1 VAL 30 3.034 8.634 -3.111 267 HG13 VAL 30 3HG1 VAL 30 3.646 9.989 -4.058 268 HG21 VAL 30 3HG2 VAL 30 5.516 8.595 -0.553 269 HG22 VAL 30 1HG2 VAL 30 4.934 7.556 -1.854 270 HG23 VAL 30 2HG2 VAL 30 3.784 8.357 -0.784 271 H ASP 31 H ASP 31 8.000 8.369 -3.821 272 HA ASP 31 HA ASP 31 6.734 6.693 -5.782 273 HB2 ASP 31 2HB ASP 31 9.536 6.572 -4.642 274 HB3 ASP 31 1HB ASP 31 8.968 5.716 -6.073 275 H THR 32 H THR 32 7.797 4.235 -5.534 276 HA THR 32 HA THR 32 6.106 2.924 -3.763 277 HB THR 32 HB THR 32 7.387 0.912 -4.246 278 HG1 THR 32 1HG THR 32 9.316 2.680 -5.336 279 HG21 THR 32 3HG2 THR 32 7.448 2.579 -6.740 280 HG22 THR 32 1HG2 THR 32 5.970 1.898 -6.063 281 HG23 THR 32 2HG2 THR 32 7.267 0.831 -6.600 282 H GLY 33 H GLY 33 9.615 3.478 -3.426 283 HA2 GLY 33 2HA GLY 33 9.805 2.367 -0.833 284 HA3 GLY 33 1HA GLY 33 10.977 3.443 -1.577 285 H ILE 34 H ILE 34 9.099 5.619 -1.966 286 HA ILE 34 HA ILE 34 9.362 6.845 0.603 287 HB ILE 34 HB ILE 34 7.824 7.899 -1.769 288 HG12 ILE 34 2HG1 ILE 34 10.754 8.242 -1.087 289 HG13 ILE 34 1HG1 ILE 34 10.116 7.295 -2.428 290 HG21 ILE 34 1HG2 ILE 34 8.624 8.974 0.845 291 HG22 ILE 34 2HG2 ILE 34 7.294 9.437 -0.218 292 HG23 ILE 34 3HG2 ILE 34 8.922 10.041 -0.528 293 HD11 ILE 34 3HD1 ILE 34 10.385 9.123 -3.654 294 HD12 ILE 34 1HD1 ILE 34 10.617 10.139 -2.232 295 HD13 ILE 34 2HD1 ILE 34 8.988 9.780 -2.802 296 H LEU 35 H LEU 35 6.663 5.593 -1.304 297 HA LEU 35 HA LEU 35 4.588 6.503 0.366 298 HB2 LEU 35 2HB LEU 35 4.217 5.696 -1.918 299 HB3 LEU 35 1HB LEU 35 4.676 4.077 -1.428 300 HG LEU 35 HG LEU 35 2.720 4.071 0.140 301 HD11 LEU 35 1HD1 LEU 35 0.960 5.724 -0.215 302 HD12 LEU 35 2HD1 LEU 35 1.998 6.593 -1.347 303 HD13 LEU 35 3HD1 LEU 35 2.446 6.484 0.357 304 HD21 LEU 35 3HD2 LEU 35 2.845 3.449 -2.501 305 HD22 LEU 35 1HD2 LEU 35 1.483 4.569 -2.475 306 HD23 LEU 35 2HD2 LEU 35 1.458 3.127 -1.460 307 H ALA 36 H ALA 36 6.435 3.481 0.331 308 HA ALA 36 HA ALA 36 5.009 2.124 2.320 309 HB1 ALA 36 1HB ALA 36 7.952 1.903 1.704 310 HB2 ALA 36 2HB ALA 36 6.665 1.064 0.839 311 HB3 ALA 36 3HB ALA 36 6.961 0.708 2.541 312 H SER 37 H SER 37 7.718 4.385 2.546 313 HA SER 37 HA SER 37 8.217 4.096 5.295 314 HB2 SER 37 2HB SER 37 8.881 6.090 3.203 315 HB3 SER 37 1HB SER 37 8.961 6.657 4.871 316 HG SER 37 HG SER 37 10.431 5.026 5.322 317 H ASP 38 H ASP 38 6.223 6.477 3.554 318 HA ASP 38 HA ASP 38 5.289 7.784 5.885 319 HB2 ASP 38 2HB ASP 38 5.230 8.458 3.314 320 HB3 ASP 38 1HB ASP 38 3.621 7.747 3.413 321 H LEU 39 H LEU 39 3.827 5.307 3.797 322 HA LEU 39 HA LEU 39 1.405 5.068 5.186 323 HB2 LEU 39 2HB LEU 39 2.319 4.037 2.905 324 HB3 LEU 39 1HB LEU 39 2.605 2.650 3.938 325 HG LEU 39 HG LEU 39 0.199 2.688 4.582 326 HD11 LEU 39 1HD1 LEU 39 0.183 5.225 3.629 327 HD12 LEU 39 2HD1 LEU 39 -1.260 4.241 3.878 328 HD13 LEU 39 3HD1 LEU 39 -0.531 4.349 2.275 329 HD21 LEU 39 3HD2 LEU 39 -0.554 2.145 2.096 330 HD22 LEU 39 1HD2 LEU 39 0.515 1.078 3.007 331 HD23 LEU 39 2HD2 LEU 39 1.189 2.204 1.828 332 H GLN 40 H GLN 40 4.532 3.520 5.661 333 HA GLN 40 HA GLN 40 3.616 1.711 7.676 334 HB2 GLN 40 2HB GLN 40 5.626 1.303 6.273 335 HB3 GLN 40 1HB GLN 40 6.434 2.633 7.092 336 HG2 GLN 40 2HG GLN 40 7.196 1.134 8.532 337 HG3 GLN 40 1HG GLN 40 5.551 1.027 9.158 338 HE21 GLN 40 1HE2 GLN 40 4.124 -0.539 8.021 339 HE22 GLN 40 2HE2 GLN 40 4.822 -2.036 7.513 340 H ARG 41 H ARG 41 5.063 4.916 7.665 341 HA ARG 41 HA ARG 41 5.661 5.090 10.407 342 HB2 ARG 41 2HB ARG 41 5.720 6.815 8.134 343 HB3 ARG 41 1HB ARG 41 4.911 7.664 9.445 344 HG2 ARG 41 2HG ARG 41 6.780 7.699 10.764 345 HG3 ARG 41 1HG ARG 41 7.465 6.253 10.022 346 HD2 ARG 41 2HD ARG 41 8.775 7.618 8.845 347 HD3 ARG 41 1HD ARG 41 7.333 8.080 7.942 348 HE ARG 41 HE ARG 41 7.252 9.713 10.091 349 HH11 ARG 41 1HH1 ARG 41 9.741 8.983 7.756 350 HH12 ARG 41 2HH1 ARG 41 10.473 10.549 7.860 351 HH21 ARG 41 1HH2 ARG 41 8.214 11.774 10.229 352 HH22 ARG 41 2HH2 ARG 41 9.606 12.133 9.264 353 H LEU 42 H LEU 42 2.779 6.118 8.592 354 HA LEU 42 HA LEU 42 1.393 7.043 10.898 355 HB2 LEU 42 2HB LEU 42 -0.603 7.026 9.389 356 HB3 LEU 42 1HB LEU 42 0.760 7.964 8.808 357 HG LEU 42 HG LEU 42 1.230 5.564 7.602 358 HD11 LEU 42 1HD1 LEU 42 -1.739 5.934 7.381 359 HD12 LEU 42 2HD1 LEU 42 -1.019 4.825 8.548 360 HD13 LEU 42 3HD1 LEU 42 -0.749 4.587 6.821 361 HD21 LEU 42 3HD2 LEU 42 -0.397 7.902 6.616 362 HD22 LEU 42 1HD2 LEU 42 0.253 6.632 5.580 363 HD23 LEU 42 2HD2 LEU 42 1.347 7.682 6.481 364 H TYR 43 H TYR 43 1.610 3.970 9.243 365 HA TYR 43 HA TYR 43 -0.282 2.827 11.191 366 HB2 TYR 43 2HB TYR 43 0.248 2.245 8.323 367 HB3 TYR 43 1HB TYR 43 -0.144 0.878 9.361 368 HD1 TYR 43 1HD TYR 43 -2.157 1.840 11.156 369 HD2 TYR 43 2HD TYR 43 -1.595 2.785 7.047 370 HE1 TYR 43 1HE TYR 43 -4.549 2.372 10.958 371 HE2 TYR 43 2HE TYR 43 -3.986 3.320 6.837 372 HH TYR 43 HH TYR 43 -6.269 2.500 9.214 373 H SER 44 H SER 44 2.344 3.303 11.963 374 HA SER 44 HA SER 44 4.119 1.169 11.584 375 HB2 SER 44 2HB SER 44 4.823 3.313 12.543 376 HB3 SER 44 1HB SER 44 3.844 3.006 13.976 377 HG SER 44 HG SER 44 6.149 1.614 13.100 378 H VAL 45 H VAL 45 1.478 1.624 13.855 379 HA VAL 45 HA VAL 45 2.092 -0.700 15.416 380 HB VAL 45 HB VAL 45 -0.545 0.764 15.270 381 HG11 VAL 45 1HG1 VAL 45 -0.623 -1.424 16.365 382 HG12 VAL 45 2HG1 VAL 45 -0.883 -0.115 17.517 383 HG13 VAL 45 3HG1 VAL 45 0.680 -0.929 17.446 384 HG21 VAL 45 3HG2 VAL 45 0.190 2.237 16.953 385 HG22 VAL 45 1HG2 VAL 45 1.490 2.207 15.762 386 HG23 VAL 45 2HG2 VAL 45 1.646 1.289 17.260 387 H ASP 46 H ASP 46 0.133 -0.004 12.608 388 HA ASP 46 HA ASP 46 -1.147 -2.613 12.685 389 HB2 ASP 46 2HB ASP 46 -2.002 -0.193 11.774 390 HB3 ASP 46 1HB ASP 46 -1.472 -0.947 10.274 391 H TYR 47 H TYR 47 0.510 -0.858 10.061 392 HA TYR 47 HA TYR 47 1.278 -3.329 8.808 393 HB2 TYR 47 2HB TYR 47 1.659 -0.422 8.167 394 HB3 TYR 47 1HB TYR 47 2.564 -1.649 7.287 395 HD1 TYR 47 2HD TYR 47 0.589 -3.796 6.996 396 HD2 TYR 47 1HD TYR 47 0.103 0.418 6.660 397 HE1 TYR 47 2HE TYR 47 -1.332 -4.143 5.501 398 HE2 TYR 47 1HE TYR 47 -1.819 0.083 5.164 399 HH TYR 47 HH TYR 47 -3.541 -2.471 4.924 400 H GLY 48 H GLY 48 2.954 -0.717 10.525 401 HA2 GLY 48 2HA GLY 48 5.583 -1.431 10.137 402 HA3 GLY 48 1HA GLY 48 4.978 -0.714 11.622 403 H ARG 49 H ARG 49 6.044 -3.597 10.059 404 HA ARG 49 HA ARG 49 5.908 -5.009 12.639 405 HB2 ARG 49 2HB ARG 49 4.901 -5.829 10.002 406 HB3 ARG 49 1HB ARG 49 5.885 -7.045 10.805 407 HG2 ARG 49 2HG ARG 49 3.683 -5.694 12.300 408 HG3 ARG 49 1HG ARG 49 3.317 -6.999 11.172 409 HD2 ARG 49 2HD ARG 49 3.890 -8.495 12.708 410 HD3 ARG 49 1HD ARG 49 5.516 -7.815 12.773 411 HE ARG 49 HE ARG 49 3.581 -6.353 14.319 412 HH11 ARG 49 1HH1 ARG 49 5.827 -9.024 14.327 413 HH12 ARG 49 2HH1 ARG 49 6.017 -9.021 16.048 414 HH21 ARG 49 1HH2 ARG 49 3.831 -6.347 16.582 415 HH22 ARG 49 2HH2 ARG 49 4.884 -7.502 17.329 416 H ARG 50 H ARG 50 7.338 -7.220 12.139 417 HA ARG 50 HA ARG 50 10.008 -6.255 12.085 418 HB2 ARG 50 2HB ARG 50 8.700 -8.601 12.910 419 HB3 ARG 50 1HB ARG 50 9.845 -9.111 11.677 420 HG2 ARG 50 2HG ARG 50 10.813 -7.261 13.785 421 HG3 ARG 50 1HG ARG 50 10.510 -8.943 14.226 422 HD2 ARG 50 2HD ARG 50 12.020 -9.712 12.511 423 HD3 ARG 50 1HD ARG 50 12.241 -8.066 11.920 424 HE ARG 50 HE ARG 50 12.956 -8.311 14.667 425 HH11 ARG 50 1HH1 ARG 50 14.090 -8.914 11.422 426 HH12 ARG 50 2HH1 ARG 50 15.764 -8.817 11.854 427 HH21 ARG 50 1HH2 ARG 50 15.158 -8.183 15.238 428 HH22 ARG 50 2HH2 ARG 50 16.371 -8.402 14.021 429 H LYS 51 H LYS 51 7.915 -7.754 9.716 430 HA LYS 51 HA LYS 51 10.033 -8.203 7.814 431 HB2 LYS 51 2HB LYS 51 8.138 -8.771 6.269 432 HB3 LYS 51 1HB LYS 51 8.189 -9.724 7.746 433 HG2 LYS 51 2HG LYS 51 6.385 -8.506 8.695 434 HG3 LYS 51 1HG LYS 51 6.441 -7.302 7.406 435 HD2 LYS 51 2HD LYS 51 5.444 -8.698 5.875 436 HD3 LYS 51 1HD LYS 51 6.000 -10.162 6.687 437 HE2 LYS 51 2HE LYS 51 4.066 -8.377 8.087 438 HE3 LYS 51 1HE LYS 51 3.479 -9.425 6.796 439 HZ1 LYS 51 3HZ LYS 51 3.272 -10.530 8.905 440 HZ2 LYS 51 1HZ LYS 51 4.912 -10.291 9.249 441 HZ3 LYS 51 2HZ LYS 51 4.454 -11.319 7.987 442 H ARG 52 H ARG 52 10.667 -5.835 8.113 443 HA ARG 52 HA ARG 52 9.142 -3.742 7.056 444 HB2 ARG 52 2HB ARG 52 11.443 -2.657 6.684 445 HB3 ARG 52 1HB ARG 52 10.993 -3.087 8.328 446 HG2 ARG 52 2HG ARG 52 12.787 -4.363 8.534 447 HG3 ARG 52 1HG ARG 52 12.331 -5.300 7.111 448 HD2 ARG 52 2HD ARG 52 13.940 -4.351 5.905 449 HD3 ARG 52 1HD ARG 52 13.361 -2.738 6.317 450 HE ARG 52 HE ARG 52 15.581 -4.132 7.486 451 HH11 ARG 52 1HH1 ARG 52 13.172 -1.660 8.005 452 HH12 ARG 52 2HH1 ARG 52 14.105 -0.827 9.203 453 HH21 ARG 52 1HH2 ARG 52 16.809 -3.037 9.060 454 HH22 ARG 52 2HH2 ARG 52 16.171 -1.609 9.802 455 H ASN 53 H ASN 53 11.398 -5.970 5.502 456 HA ASN 53 HA ASN 53 11.438 -4.709 2.978 457 HB2 ASN 53 2HB ASN 53 12.811 -6.771 4.090 458 HB3 ASN 53 1HB ASN 53 11.722 -7.650 3.022 459 HD21 ASN 53 1HD2 ASN 53 11.923 -7.428 0.815 460 HD22 ASN 53 2HD2 ASN 53 13.294 -6.684 0.074 461 H ALA 54 H ALA 54 9.303 -7.090 4.429 462 HA ALA 54 HA ALA 54 7.930 -7.907 2.128 463 HB1 ALA 54 1HB ALA 54 6.149 -8.612 3.658 464 HB2 ALA 54 2HB ALA 54 6.913 -7.701 4.961 465 HB3 ALA 54 3HB ALA 54 7.742 -9.086 4.249 466 H PHE 55 H PHE 55 7.197 -5.303 4.436 467 HA PHE 55 HA PHE 55 4.828 -4.417 3.238 468 HB2 PHE 55 2HB PHE 55 5.768 -3.766 5.512 469 HB3 PHE 55 1HB PHE 55 6.800 -2.626 4.655 470 HD1 PHE 55 1HD PHE 55 3.193 -3.598 4.596 471 HD2 PHE 55 2HD PHE 55 6.068 -0.461 4.700 472 HE1 PHE 55 1HE PHE 55 1.377 -1.939 4.627 473 HE2 PHE 55 2HE PHE 55 4.256 1.203 4.732 474 HZ PHE 55 HZ PHE 55 1.906 0.465 4.696 475 H ARG 56 H ARG 56 8.193 -3.666 2.559 476 HA ARG 56 HA ARG 56 7.763 -1.482 0.834 477 HB2 ARG 56 2HB ARG 56 10.009 -3.454 1.156 478 HB3 ARG 56 1HB ARG 56 10.049 -2.236 -0.111 479 HG2 ARG 56 2HG ARG 56 9.627 -0.553 1.790 480 HG3 ARG 56 1HG ARG 56 10.126 -1.868 2.855 481 HD2 ARG 56 2HD ARG 56 12.057 -1.864 0.880 482 HD3 ARG 56 1HD ARG 56 11.721 -0.151 1.131 483 HE ARG 56 HE ARG 56 13.158 -1.855 2.866 484 HH11 ARG 56 1HH1 ARG 56 10.842 0.755 2.910 485 HH12 ARG 56 2HH1 ARG 56 11.337 1.334 4.465 486 HH21 ARG 56 1HH2 ARG 56 13.810 -1.095 4.911 487 HH22 ARG 56 2HH2 ARG 56 13.023 0.285 5.602 488 H ILE 57 H ILE 57 8.010 -4.962 0.232 489 HA ILE 57 HA ILE 57 7.854 -4.803 -2.588 490 HB ILE 57 HB ILE 57 6.978 -7.117 -0.857 491 HG12 ILE 57 2HG1 ILE 57 9.679 -7.034 -2.103 492 HG13 ILE 57 1HG1 ILE 57 9.424 -6.033 -0.677 493 HG21 ILE 57 1HG2 ILE 57 8.097 -7.195 -3.646 494 HG22 ILE 57 2HG2 ILE 57 6.368 -7.086 -3.313 495 HG23 ILE 57 3HG2 ILE 57 7.288 -8.484 -2.754 496 HD11 ILE 57 3HD1 ILE 57 10.005 -7.866 0.448 497 HD12 ILE 57 1HD1 ILE 57 9.684 -8.928 -0.923 498 HD13 ILE 57 2HD1 ILE 57 8.359 -8.405 0.117 499 H GLN 58 H GLN 58 5.413 -5.191 -0.060 500 HA GLN 58 HA GLN 58 3.210 -5.659 -1.745 501 HB2 GLN 58 2HB GLN 58 3.541 -4.681 1.063 502 HB3 GLN 58 1HB GLN 58 1.958 -4.578 0.302 503 HG2 GLN 58 2HG GLN 58 1.611 -6.788 0.426 504 HG3 GLN 58 1HG GLN 58 3.286 -7.178 0.033 505 HE21 GLN 58 1HE2 GLN 58 1.133 -7.736 2.272 506 HE22 GLN 58 2HE2 GLN 58 2.099 -7.720 3.703 507 H VAL 59 H VAL 59 4.541 -2.659 -0.400 508 HA VAL 59 HA VAL 59 2.565 -0.956 -1.519 509 HB VAL 59 HB VAL 59 5.385 -0.201 -0.743 510 HG11 VAL 59 1HG1 VAL 59 2.940 1.533 -0.604 511 HG12 VAL 59 2HG1 VAL 59 3.891 1.397 -2.084 512 HG13 VAL 59 3HG1 VAL 59 4.639 2.008 -0.608 513 HG21 VAL 59 3HG2 VAL 59 4.857 -0.262 1.441 514 HG22 VAL 59 1HG2 VAL 59 3.607 -1.396 0.931 515 HG23 VAL 59 2HG2 VAL 59 3.210 0.306 1.163 516 H GLU 60 H GLU 60 5.696 -2.120 -2.631 517 HA GLU 60 HA GLU 60 6.011 -0.403 -4.830 518 HB2 GLU 60 2HB GLU 60 7.056 -3.137 -4.164 519 HB3 GLU 60 1HB GLU 60 7.388 -2.416 -5.733 520 HG2 GLU 60 2HG GLU 60 8.607 -0.645 -4.776 521 HG3 GLU 60 1HG GLU 60 8.013 -1.010 -3.158 522 H LYS 61 H LYS 61 4.726 -3.727 -4.709 523 HA LYS 61 HA LYS 61 3.920 -3.767 -7.425 524 HB2 LYS 61 2HB LYS 61 3.508 -5.484 -5.039 525 HB3 LYS 61 1HB LYS 61 2.342 -5.655 -6.343 526 HG2 LYS 61 2HG LYS 61 4.122 -7.273 -6.576 527 HG3 LYS 61 1HG LYS 61 4.164 -6.118 -7.909 528 HD2 LYS 61 2HD LYS 61 6.146 -5.231 -7.255 529 HD3 LYS 61 1HD LYS 61 5.794 -5.444 -5.538 530 HE2 LYS 61 2HE LYS 61 6.762 -7.474 -5.465 531 HE3 LYS 61 1HE LYS 61 6.129 -7.941 -7.042 532 HZ1 LYS 61 3HZ LYS 61 8.695 -7.455 -6.587 533 HZ2 LYS 61 1HZ LYS 61 8.202 -5.904 -7.050 534 HZ3 LYS 61 2HZ LYS 61 7.966 -7.214 -8.094 535 H VAL 62 H VAL 62 2.384 -2.735 -4.464 536 HA VAL 62 HA VAL 62 -0.247 -2.542 -5.583 537 HB VAL 62 HB VAL 62 0.995 -1.701 -2.991 538 HG11 VAL 62 1HG1 VAL 62 -1.558 -0.676 -4.158 539 HG12 VAL 62 2HG1 VAL 62 -0.337 0.173 -3.208 540 HG13 VAL 62 3HG1 VAL 62 -1.439 -0.957 -2.421 541 HG21 VAL 62 3HG2 VAL 62 -0.499 -3.255 -2.043 542 HG22 VAL 62 1HG2 VAL 62 0.118 -4.026 -3.504 543 HG23 VAL 62 2HG2 VAL 62 -1.492 -3.306 -3.499 544 H PHE 63 H PHE 63 2.500 -0.404 -5.227 545 HA PHE 63 HA PHE 63 1.097 2.007 -5.791 546 HB2 PHE 63 2HB PHE 63 3.311 1.924 -4.658 547 HB3 PHE 63 1HB PHE 63 4.038 1.407 -6.176 548 HD1 PHE 63 2HD PHE 63 1.879 4.145 -4.848 549 HD2 PHE 63 1HD PHE 63 5.003 3.010 -7.504 550 HE1 PHE 63 2HE PHE 63 2.177 6.500 -5.497 551 HE2 PHE 63 1HE PHE 63 5.308 5.362 -8.158 552 HZ PHE 63 HZ PHE 63 3.893 7.111 -7.153 553 H SER 64 H SER 64 2.800 -0.376 -7.744 554 HA SER 64 HA SER 64 2.611 1.113 -10.179 555 HB2 SER 64 2HB SER 64 4.396 -0.468 -10.010 556 HB3 SER 64 1HB SER 64 3.285 -1.771 -9.587 557 HG SER 64 HG SER 64 3.146 -0.393 -12.054 558 H ILE 65 H ILE 65 0.690 -1.366 -8.599 559 HA ILE 65 HA ILE 65 -0.988 -1.866 -10.859 560 HB ILE 65 HB ILE 65 -0.564 -3.466 -8.947 561 HG12 ILE 65 2HG1 ILE 65 -3.438 -2.887 -9.694 562 HG13 ILE 65 1HG1 ILE 65 -2.301 -3.835 -10.645 563 HG21 ILE 65 1HG2 ILE 65 -1.826 -3.303 -6.941 564 HG22 ILE 65 2HG2 ILE 65 -2.724 -1.910 -7.545 565 HG23 ILE 65 3HG2 ILE 65 -1.010 -1.760 -7.171 566 HD11 ILE 65 3HD1 ILE 65 -4.032 -4.692 -8.577 567 HD12 ILE 65 1HD1 ILE 65 -2.369 -4.935 -8.040 568 HD13 ILE 65 2HD1 ILE 65 -2.921 -5.650 -9.555 569 H ILE 66 H ILE 66 -1.333 0.091 -7.913 570 HA ILE 66 HA ILE 66 -3.991 0.863 -8.251 571 HB ILE 66 HB ILE 66 -3.456 2.842 -6.888 572 HG12 ILE 66 2HG1 ILE 66 -0.595 1.890 -7.146 573 HG13 ILE 66 1HG1 ILE 66 -1.257 3.354 -7.863 574 HG21 ILE 66 1HG2 ILE 66 -3.873 1.184 -5.418 575 HG22 ILE 66 2HG2 ILE 66 -2.157 1.368 -5.055 576 HG23 ILE 66 3HG2 ILE 66 -2.695 0.093 -6.147 577 HD11 ILE 66 3HD1 ILE 66 -0.096 4.035 -5.943 578 HD12 ILE 66 1HD1 ILE 66 -0.800 2.749 -4.962 579 HD13 ILE 66 2HD1 ILE 66 -1.805 4.091 -5.510 580 H SER 67 H SER 67 -1.060 2.123 -9.734 581 HA SER 67 HA SER 67 -2.306 4.434 -10.851 582 HB2 SER 67 2HB SER 67 -0.101 3.989 -12.428 583 HB3 SER 67 1HB SER 67 -0.096 4.887 -10.911 584 HG SER 67 HG SER 67 1.416 2.975 -11.274 585 H SER 68 H SER 68 -1.328 1.297 -12.210 586 HA SER 68 HA SER 68 -2.416 1.861 -14.786 587 HB2 SER 68 2HB SER 68 -0.526 0.261 -14.299 588 HB3 SER 68 1HB SER 68 -1.732 -0.856 -13.661 589 HG SER 68 HG SER 68 -1.056 -0.361 -16.223 590 H GLU 69 H GLU 69 -3.595 0.166 -11.930 591 HA GLU 69 HA GLU 69 -5.876 -0.944 -13.234 592 HB2 GLU 69 2HB GLU 69 -4.647 -1.646 -11.018 593 HB3 GLU 69 1HB GLU 69 -5.789 -0.532 -10.277 594 HG2 GLU 69 2HG GLU 69 -6.885 -2.529 -12.160 595 HG3 GLU 69 1HG GLU 69 -6.290 -3.122 -10.610 596 H LYS 70 H LYS 70 -5.471 1.790 -10.968 597 HA LYS 70 HA LYS 70 -8.245 2.538 -11.337 598 HB2 LYS 70 2HB LYS 70 -6.080 3.276 -9.489 599 HB3 LYS 70 1HB LYS 70 -7.161 4.594 -9.912 600 HG2 LYS 70 2HG LYS 70 -8.056 3.645 -7.968 601 HG3 LYS 70 1HG LYS 70 -9.064 3.044 -9.286 602 HD2 LYS 70 2HD LYS 70 -7.897 0.932 -9.274 603 HD3 LYS 70 1HD LYS 70 -6.758 1.529 -8.065 604 HE2 LYS 70 2HE LYS 70 -8.172 1.126 -6.378 605 HE3 LYS 70 1HE LYS 70 -9.548 1.795 -7.254 606 HZ1 LYS 70 3HZ LYS 70 -9.987 -0.484 -6.892 607 HZ2 LYS 70 1HZ LYS 70 -8.456 -0.954 -7.438 608 HZ3 LYS 70 2HZ LYS 70 -9.590 -0.337 -8.531 609 H GLU 71 H GLU 71 -5.135 3.469 -12.568 610 HA GLU 71 HA GLU 71 -4.511 4.932 -14.197 611 HB2 GLU 71 2HB GLU 71 -7.472 5.115 -14.776 612 HB3 GLU 71 1HB GLU 71 -6.174 5.626 -15.847 613 HG2 GLU 71 2HG GLU 71 -5.450 3.080 -15.481 614 HG3 GLU 71 1HG GLU 71 -7.191 2.921 -15.248 615 H LEU 72 H LEU 72 -3.866 6.357 -12.456 616 HA LEU 72 HA LEU 72 -5.559 8.764 -12.299 617 HB2 LEU 72 2HB LEU 72 -4.298 7.174 -10.208 618 HB3 LEU 72 1HB LEU 72 -3.866 8.870 -10.107 619 HG LEU 72 HG LEU 72 -5.789 8.414 -8.706 620 HD11 LEU 72 1HD1 LEU 72 -6.869 10.319 -9.236 621 HD12 LEU 72 2HD1 LEU 72 -7.125 9.836 -10.912 622 HD13 LEU 72 3HD1 LEU 72 -5.564 10.482 -10.409 623 HD21 LEU 72 3HD2 LEU 72 -6.868 7.194 -11.212 624 HD22 LEU 72 1HD2 LEU 72 -7.968 7.859 -10.005 625 HD23 LEU 72 2HD2 LEU 72 -6.862 6.558 -9.567 626 H LYS 73 H LYS 73 -3.473 8.104 -14.245 627 HA LYS 73 HA LYS 73 -1.411 10.079 -13.547 628 HB2 LYS 73 2HB LYS 73 -1.126 7.544 -14.555 629 HB3 LYS 73 1HB LYS 73 -1.029 8.526 -16.010 630 HG2 LYS 73 2HG LYS 73 0.573 9.633 -13.871 631 HG3 LYS 73 1HG LYS 73 1.024 7.967 -14.239 632 HD2 LYS 73 2HD LYS 73 1.351 8.522 -16.563 633 HD3 LYS 73 1HD LYS 73 0.754 10.160 -16.293 634 HE2 LYS 73 2HE LYS 73 2.747 10.003 -14.450 635 HE3 LYS 73 1HE LYS 73 3.392 8.991 -15.743 636 HZ1 LYS 73 3HZ LYS 73 2.535 11.079 -17.142 637 HZ2 LYS 73 1HZ LYS 73 4.103 10.966 -16.514 638 HZ3 LYS 73 2HZ LYS 73 2.923 11.857 -15.691 639 H ASN 74 H ASN 74 -3.973 10.983 -14.280 640 HA ASN 74 HA ASN 74 -4.992 12.501 -15.632 641 HB2 ASN 74 2HB ASN 74 -2.425 13.327 -15.467 642 HB3 ASN 74 1HB ASN 74 -2.551 13.083 -17.207 643 HD21 ASN 74 1HD2 ASN 74 -2.117 15.568 -16.070 644 HD22 ASN 74 2HD2 ASN 74 -3.501 16.563 -16.351 Start of MODEL 18 1 H MET 1 H MET 1 1.378 -24.574 -16.990 2 HA MET 1 HA MET 1 2.077 -23.756 -14.781 3 HB2 MET 1 2HB MET 1 1.886 -21.434 -15.505 4 HB3 MET 1 1HB MET 1 2.225 -22.474 -16.881 5 HG2 MET 1 2HG MET 1 -0.112 -22.405 -17.535 6 HG3 MET 1 1HG MET 1 -0.488 -21.410 -16.130 7 HE1 MET 1 2HE MET 1 -1.341 -19.012 -17.195 8 HE2 MET 1 3HE MET 1 0.069 -17.954 -17.156 9 HE3 MET 1 1HE MET 1 -0.199 -19.112 -15.855 10 H LYS 2 H LYS 2 1.492 -23.082 -12.798 11 HA LYS 2 HA LYS 2 -1.319 -23.133 -12.114 12 HB2 LYS 2 2HB LYS 2 1.212 -22.890 -10.496 13 HB3 LYS 2 1HB LYS 2 -0.380 -22.715 -9.769 14 HG2 LYS 2 2HG LYS 2 -0.710 -25.045 -11.080 15 HG3 LYS 2 1HG LYS 2 1.016 -25.122 -10.721 16 HD2 LYS 2 2HD LYS 2 0.314 -25.972 -8.755 17 HD3 LYS 2 1HD LYS 2 0.041 -24.278 -8.339 18 HE2 LYS 2 2HE LYS 2 -2.290 -24.700 -9.456 19 HE3 LYS 2 1HE LYS 2 -1.922 -26.389 -9.109 20 HZ1 LYS 2 3HZ LYS 2 -3.123 -24.773 -7.384 21 HZ2 LYS 2 1HZ LYS 2 -1.515 -24.518 -6.923 22 HZ3 LYS 2 2HZ LYS 2 -2.162 -26.080 -6.905 23 HA PRO 3 HA PRO 3 -1.912 -18.753 -12.188 24 HB2 PRO 3 2HB PRO 3 -3.993 -18.512 -10.480 25 HB3 PRO 3 1HB PRO 3 -4.166 -19.223 -12.089 26 HG2 PRO 3 2HG PRO 3 -3.888 -20.583 -9.436 27 HG3 PRO 3 1HG PRO 3 -4.977 -20.967 -10.781 28 HD2 PRO 3 2HD PRO 3 -2.667 -22.322 -10.317 29 HD3 PRO 3 1HD PRO 3 -3.346 -22.100 -11.942 30 H ARG 4 H ARG 4 -1.235 -16.957 -11.113 31 HA ARG 4 HA ARG 4 0.116 -17.365 -8.581 32 HB2 ARG 4 2HB ARG 4 -0.072 -14.846 -10.237 33 HB3 ARG 4 1HB ARG 4 1.063 -15.168 -8.934 34 HG2 ARG 4 2HG ARG 4 2.028 -17.003 -10.290 35 HG3 ARG 4 1HG ARG 4 0.957 -16.536 -11.612 36 HD2 ARG 4 2HD ARG 4 2.725 -15.281 -12.236 37 HD3 ARG 4 1HD ARG 4 2.068 -14.152 -11.052 38 HE ARG 4 HE ARG 4 3.928 -16.039 -9.940 39 HH11 ARG 4 1HH1 ARG 4 3.596 -12.960 -11.549 40 HH12 ARG 4 2HH1 ARG 4 5.101 -12.345 -10.952 41 HH21 ARG 4 1HH2 ARG 4 5.907 -15.232 -9.153 42 HH22 ARG 4 2HH2 ARG 4 6.414 -13.635 -9.592 43 HA PRO 5 HA PRO 5 -3.592 -16.118 -6.322 44 HB2 PRO 5 2HB PRO 5 -1.515 -15.849 -4.198 45 HB3 PRO 5 1HB PRO 5 -3.085 -16.658 -4.140 46 HG2 PRO 5 2HG PRO 5 -0.842 -18.073 -4.342 47 HG3 PRO 5 1HG PRO 5 -2.300 -18.548 -5.235 48 HD2 PRO 5 2HD PRO 5 0.184 -17.220 -6.223 49 HD3 PRO 5 1HD PRO 5 -0.863 -18.406 -7.030 50 H GLY 6 H GLY 6 -4.256 -14.112 -6.832 51 HA2 GLY 6 2HA GLY 6 -2.534 -11.832 -6.796 52 HA3 GLY 6 1HA GLY 6 -4.272 -11.818 -7.054 53 H VAL 7 H VAL 7 -5.112 -10.401 -5.672 54 HA VAL 7 HA VAL 7 -3.961 -9.815 -3.132 55 HB VAL 7 HB VAL 7 -6.111 -8.526 -2.767 56 HG11 VAL 7 1HG1 VAL 7 -5.527 -7.063 -4.948 57 HG12 VAL 7 2HG1 VAL 7 -4.087 -8.078 -4.864 58 HG13 VAL 7 3HG1 VAL 7 -4.539 -7.074 -3.487 59 HG21 VAL 7 3HG2 VAL 7 -7.084 -10.150 -4.761 60 HG22 VAL 7 1HG2 VAL 7 -6.812 -8.620 -5.594 61 HG23 VAL 7 2HG2 VAL 7 -7.846 -8.675 -4.168 62 H PHE 8 H PHE 8 -4.821 -10.208 -1.061 63 HA PHE 8 HA PHE 8 -7.089 -11.919 -0.683 64 HB2 PHE 8 2HB PHE 8 -4.824 -13.292 -1.291 65 HB3 PHE 8 1HB PHE 8 -4.685 -13.197 0.462 66 HD1 PHE 8 2HD PHE 8 -6.804 -13.886 1.805 67 HD2 PHE 8 1HD PHE 8 -6.068 -14.983 -2.240 68 HE1 PHE 8 2HE PHE 8 -8.372 -15.769 2.033 69 HE2 PHE 8 1HE PHE 8 -7.635 -16.866 -2.020 70 HZ PHE 8 HZ PHE 8 -8.789 -17.261 0.119 71 H VAL 9 H VAL 9 -4.035 -11.417 1.086 72 HA VAL 9 HA VAL 9 -5.621 -10.353 3.328 73 HB VAL 9 HB VAL 9 -3.564 -10.906 4.705 74 HG11 VAL 9 1HG1 VAL 9 -5.761 -12.371 4.124 75 HG12 VAL 9 2HG1 VAL 9 -4.529 -12.853 5.290 76 HG13 VAL 9 3HG1 VAL 9 -4.485 -13.490 3.645 77 HG21 VAL 9 3HG2 VAL 9 -1.914 -12.356 3.862 78 HG22 VAL 9 1HG2 VAL 9 -2.110 -11.113 2.627 79 HG23 VAL 9 2HG2 VAL 9 -2.844 -12.701 2.405 80 H ASP 10 H ASP 10 -3.060 -9.677 1.093 81 HA ASP 10 HA ASP 10 -2.246 -7.287 2.561 82 HB2 ASP 10 2HB ASP 10 -1.116 -8.847 0.279 83 HB3 ASP 10 1HB ASP 10 -0.685 -7.147 0.432 84 H ARG 11 H ARG 11 -4.888 -7.670 1.115 85 HA ARG 11 HA ARG 11 -4.872 -5.970 -1.158 86 HB2 ARG 11 2HB ARG 11 -6.634 -7.713 -0.471 87 HB3 ARG 11 1HB ARG 11 -7.270 -6.466 0.592 88 HG2 ARG 11 2HG ARG 11 -8.045 -5.189 -1.133 89 HG3 ARG 11 1HG ARG 11 -6.829 -5.784 -2.265 90 HD2 ARG 11 2HD ARG 11 -8.006 -7.991 -2.236 91 HD3 ARG 11 1HD ARG 11 -9.280 -7.236 -1.280 92 HE ARG 11 HE ARG 11 -8.820 -6.939 -4.102 93 HH11 ARG 11 1HH1 ARG 11 -10.242 -5.486 -1.266 94 HH12 ARG 11 2HH1 ARG 11 -11.381 -4.543 -2.167 95 HH21 ARG 11 1HH2 ARG 11 -10.318 -5.701 -5.289 96 HH22 ARG 11 2HH2 ARG 11 -11.426 -4.665 -4.450 97 H LYS 12 H LYS 12 -5.194 -5.434 2.274 98 HA LYS 12 HA LYS 12 -6.368 -2.924 2.333 99 HB2 LYS 12 2HB LYS 12 -4.494 -4.395 4.118 100 HB3 LYS 12 1HB LYS 12 -4.725 -2.676 4.411 101 HG2 LYS 12 2HG LYS 12 -6.281 -3.711 5.796 102 HG3 LYS 12 1HG LYS 12 -7.228 -3.195 4.400 103 HD2 LYS 12 2HD LYS 12 -6.037 -5.920 4.359 104 HD3 LYS 12 1HD LYS 12 -7.435 -5.639 5.399 105 HE2 LYS 12 2HE LYS 12 -8.225 -4.436 3.089 106 HE3 LYS 12 1HE LYS 12 -7.248 -5.768 2.472 107 HZ1 LYS 12 3HZ LYS 12 -9.813 -6.010 3.090 108 HZ2 LYS 12 1HZ LYS 12 -9.136 -6.429 4.583 109 HZ3 LYS 12 2HZ LYS 12 -8.718 -7.296 3.193 110 H LEU 13 H LEU 13 -3.024 -3.810 1.665 111 HA LEU 13 HA LEU 13 -1.834 -1.299 1.860 112 HB2 LEU 13 2HB LEU 13 -0.880 -3.714 1.323 113 HB3 LEU 13 1HB LEU 13 -0.992 -3.136 -0.328 114 HG LEU 13 HG LEU 13 1.236 -2.745 0.441 115 HD11 LEU 13 1HD1 LEU 13 0.114 -0.012 0.746 116 HD12 LEU 13 2HD1 LEU 13 -0.196 -0.878 -0.758 117 HD13 LEU 13 3HD1 LEU 13 1.462 -0.580 -0.239 118 HD21 LEU 13 3HD2 LEU 13 1.633 -1.244 2.414 119 HD22 LEU 13 1HD2 LEU 13 0.982 -2.836 2.802 120 HD23 LEU 13 2HD2 LEU 13 -0.077 -1.425 2.807 121 H LYS 14 H LYS 14 -3.503 -2.815 -0.870 122 HA LYS 14 HA LYS 14 -3.032 -0.654 -2.669 123 HB2 LYS 14 2HB LYS 14 -3.536 -3.018 -3.347 124 HB3 LYS 14 1HB LYS 14 -5.196 -2.757 -2.830 125 HG2 LYS 14 2HG LYS 14 -5.035 -0.706 -4.470 126 HG3 LYS 14 1HG LYS 14 -3.751 -1.680 -5.191 127 HD2 LYS 14 2HD LYS 14 -5.416 -2.647 -6.346 128 HD3 LYS 14 1HD LYS 14 -5.724 -3.532 -4.850 129 HE2 LYS 14 2HE LYS 14 -7.011 -0.900 -5.561 130 HE3 LYS 14 1HE LYS 14 -7.747 -2.474 -5.862 131 HZ1 LYS 14 3HZ LYS 14 -7.179 -2.720 -3.292 132 HZ2 LYS 14 1HZ LYS 14 -8.640 -2.068 -3.846 133 HZ3 LYS 14 2HZ LYS 14 -7.388 -1.042 -3.353 134 H GLN 15 H GLN 15 -5.862 -1.697 -0.784 135 HA GLN 15 HA GLN 15 -7.593 0.354 -1.590 136 HB2 GLN 15 2HB GLN 15 -8.296 -1.727 -0.436 137 HB3 GLN 15 1HB GLN 15 -7.580 -1.117 1.050 138 HG2 GLN 15 2HG GLN 15 -9.433 -0.020 1.536 139 HG3 GLN 15 1HG GLN 15 -9.353 0.855 0.007 140 HE21 GLN 15 1HE2 GLN 15 -10.812 0.419 -1.521 141 HE22 GLN 15 2HE2 GLN 15 -11.976 -0.854 -1.450 142 H ARG 16 H ARG 16 -5.492 0.128 1.279 143 HA ARG 16 HA ARG 16 -6.219 2.616 2.373 144 HB2 ARG 16 2HB ARG 16 -4.733 0.558 3.265 145 HB3 ARG 16 1HB ARG 16 -3.445 1.661 2.806 146 HG2 ARG 16 2HG ARG 16 -4.054 1.881 5.163 147 HG3 ARG 16 1HG ARG 16 -4.347 3.371 4.264 148 HD2 ARG 16 2HD ARG 16 -6.155 2.644 5.894 149 HD3 ARG 16 1HD ARG 16 -6.675 3.030 4.255 150 HE ARG 16 HE ARG 16 -6.110 0.240 4.680 151 HH11 ARG 16 1HH1 ARG 16 -8.540 2.739 4.872 152 HH12 ARG 16 2HH1 ARG 16 -9.865 1.631 4.762 153 HH21 ARG 16 1HH2 ARG 16 -7.853 -1.217 4.537 154 HH22 ARG 16 2HH2 ARG 16 -9.476 -0.615 4.573 155 H VAL 17 H VAL 17 -3.676 1.695 0.096 156 HA VAL 17 HA VAL 17 -2.396 4.215 0.020 157 HB VAL 17 HB VAL 17 -2.405 1.856 -1.842 158 HG11 VAL 17 1HG1 VAL 17 -2.065 3.404 -3.488 159 HG12 VAL 17 2HG1 VAL 17 -0.411 3.217 -2.908 160 HG13 VAL 17 3HG1 VAL 17 -1.378 4.595 -2.384 161 HG21 VAL 17 3HG2 VAL 17 -1.067 2.280 0.448 162 HG22 VAL 17 1HG2 VAL 17 0.067 2.991 -0.701 163 HG23 VAL 17 2HG2 VAL 17 -0.434 1.309 -0.881 164 H ILE 18 H ILE 18 -4.764 2.730 -2.217 165 HA ILE 18 HA ILE 18 -4.998 4.849 -3.989 166 HB ILE 18 HB ILE 18 -7.249 4.010 -4.534 167 HG12 ILE 18 2HG1 ILE 18 -6.827 2.037 -2.283 168 HG13 ILE 18 1HG1 ILE 18 -7.878 3.445 -2.170 169 HG21 ILE 18 1HG2 ILE 18 -6.335 2.362 -5.725 170 HG22 ILE 18 2HG2 ILE 18 -5.880 1.455 -4.283 171 HG23 ILE 18 3HG2 ILE 18 -4.833 2.742 -4.882 172 HD11 ILE 18 3HD1 ILE 18 -8.188 1.125 -4.058 173 HD12 ILE 18 1HD1 ILE 18 -9.216 2.558 -4.031 174 HD13 ILE 18 2HD1 ILE 18 -9.175 1.475 -2.639 175 H GLN 19 H GLN 19 -6.563 4.367 -0.871 176 HA GLN 19 HA GLN 19 -8.309 6.612 -1.098 177 HB2 GLN 19 2HB GLN 19 -7.439 4.840 1.163 178 HB3 GLN 19 1HB GLN 19 -8.375 6.294 1.484 179 HG2 GLN 19 2HG GLN 19 -9.823 5.136 -0.508 180 HG3 GLN 19 1HG GLN 19 -9.205 3.729 0.356 181 HE21 GLN 19 1HE2 GLN 19 -10.070 3.191 2.275 182 HE22 GLN 19 2HE2 GLN 19 -11.323 4.076 3.069 183 H TYR 20 H TYR 20 -5.046 6.119 0.045 184 HA TYR 20 HA TYR 20 -4.822 8.618 1.408 185 HB2 TYR 20 2HB TYR 20 -3.077 6.344 0.786 186 HB3 TYR 20 1HB TYR 20 -2.240 7.893 0.806 187 HD1 TYR 20 2HD TYR 20 -3.559 9.363 2.930 188 HD2 TYR 20 1HD TYR 20 -2.535 5.237 2.746 189 HE1 TYR 20 2HE TYR 20 -3.463 9.283 5.386 190 HE2 TYR 20 1HE TYR 20 -2.438 5.146 5.202 191 HH TYR 20 HH TYR 20 -3.606 7.685 7.183 192 H LEU 21 H LEU 21 -3.982 7.476 -1.834 193 HA LEU 21 HA LEU 21 -2.686 9.903 -2.603 194 HB2 LEU 21 2HB LEU 21 -3.893 8.015 -4.585 195 HB3 LEU 21 1HB LEU 21 -2.424 8.960 -4.714 196 HG LEU 21 HG LEU 21 -2.334 6.939 -2.591 197 HD11 LEU 21 1HD1 LEU 21 -2.975 5.140 -3.715 198 HD12 LEU 21 2HD1 LEU 21 -1.833 5.519 -5.003 199 HD13 LEU 21 3HD1 LEU 21 -3.473 6.162 -5.062 200 HD21 LEU 21 3HD2 LEU 21 -0.148 6.510 -3.571 201 HD22 LEU 21 1HD2 LEU 21 -0.393 8.236 -3.302 202 HD23 LEU 21 2HD2 LEU 21 -0.540 7.568 -4.927 203 H SER 22 H SER 22 -5.870 8.492 -3.329 204 HA SER 22 HA SER 22 -6.855 10.549 -4.926 205 HB2 SER 22 2HB SER 22 -8.295 8.641 -3.075 206 HB3 SER 22 1HB SER 22 -9.125 9.721 -4.195 207 HG SER 22 HG SER 22 -8.171 8.657 -5.901 208 H SER 23 H SER 23 -7.172 10.104 -1.410 209 HA SER 23 HA SER 23 -8.671 12.422 -0.912 210 HB2 SER 23 2HB SER 23 -6.771 10.875 0.862 211 HB3 SER 23 1HB SER 23 -7.797 12.188 1.439 212 HG SER 23 HG SER 23 -8.792 9.898 0.098 213 H ASN 24 H ASN 24 -5.253 11.924 -1.386 214 HA ASN 24 HA ASN 24 -4.723 14.616 -1.938 215 HB2 ASN 24 2HB ASN 24 -3.163 14.955 0.120 216 HB3 ASN 24 1HB ASN 24 -4.887 15.265 0.292 217 HD21 ASN 24 1HD2 ASN 24 -2.579 12.585 0.582 218 HD22 ASN 24 2HD2 ASN 24 -3.276 11.916 2.015 219 H ARG 25 H ARG 25 -2.396 15.041 -2.252 220 HA ARG 25 HA ARG 25 -1.141 12.885 -3.561 221 HB2 ARG 25 2HB ARG 25 -0.413 15.688 -2.893 222 HB3 ARG 25 1HB ARG 25 0.900 14.596 -3.310 223 HG2 ARG 25 2HG ARG 25 0.187 14.341 -5.475 224 HG3 ARG 25 1HG ARG 25 -1.489 14.727 -5.081 225 HD2 ARG 25 2HD ARG 25 0.629 16.812 -4.776 226 HD3 ARG 25 1HD ARG 25 -0.014 16.448 -6.376 227 HE ARG 25 HE ARG 25 -2.243 16.829 -4.900 228 HH11 ARG 25 1HH1 ARG 25 0.655 18.721 -5.355 229 HH12 ARG 25 2HH1 ARG 25 -0.146 20.236 -5.111 230 HH21 ARG 25 1HH2 ARG 25 -3.298 18.821 -4.578 231 HH22 ARG 25 2HH2 ARG 25 -2.391 20.293 -4.669 232 H CYS 26 H CYS 26 -0.826 14.201 -0.331 233 HA CYS 26 HA CYS 26 0.288 13.489 1.520 234 HB2 CYS 26 2HB CYS 26 -0.833 11.272 0.465 235 HB3 CYS 26 1HB CYS 26 0.863 10.805 0.407 236 HG CYS 26 HG CYS 26 0.573 11.636 3.135 237 H GLY 27 H GLY 27 1.792 14.681 -0.667 238 HA2 GLY 27 2HA GLY 27 4.238 15.035 -0.007 239 HA3 GLY 27 1HA GLY 27 4.391 13.322 -0.367 240 H LYS 28 H LYS 28 5.689 15.684 -1.583 241 HA LYS 28 HA LYS 28 4.584 16.012 -4.202 242 HB2 LYS 28 2HB LYS 28 6.453 17.361 -2.670 243 HB3 LYS 28 1HB LYS 28 7.427 16.632 -3.938 244 HG2 LYS 28 2HG LYS 28 6.758 18.146 -5.407 245 HG3 LYS 28 1HG LYS 28 5.061 17.803 -5.065 246 HD2 LYS 28 2HD LYS 28 5.026 19.920 -4.302 247 HD3 LYS 28 1HD LYS 28 5.765 19.222 -2.859 248 HE2 LYS 28 2HE LYS 28 7.509 20.562 -3.169 249 HE3 LYS 28 1HE LYS 28 7.869 19.684 -4.655 250 HZ1 LYS 28 3HZ LYS 28 5.807 21.730 -4.827 251 HZ2 LYS 28 1HZ LYS 28 7.019 21.318 -5.933 252 HZ3 LYS 28 2HZ LYS 28 7.388 22.283 -4.595 253 H TYR 29 H TYR 29 4.575 14.431 -5.651 254 HA TYR 29 HA TYR 29 5.223 12.689 -6.960 255 HB2 TYR 29 2HB TYR 29 8.022 13.576 -6.235 256 HB3 TYR 29 1HB TYR 29 7.570 12.571 -7.606 257 HD1 TYR 29 1HD TYR 29 5.613 13.744 -9.095 258 HD2 TYR 29 2HD TYR 29 8.508 15.769 -6.723 259 HE1 TYR 29 1HE TYR 29 5.333 15.757 -10.481 260 HE2 TYR 29 2HE TYR 29 8.235 17.787 -8.101 261 HH TYR 29 HH TYR 29 7.468 18.436 -10.284 262 H VAL 30 H VAL 30 4.488 11.958 -4.439 263 HA VAL 30 HA VAL 30 6.312 10.455 -2.953 264 HB VAL 30 HB VAL 30 4.086 11.054 -2.115 265 HG11 VAL 30 1HG1 VAL 30 2.718 8.840 -3.481 266 HG12 VAL 30 2HG1 VAL 30 3.128 10.217 -4.504 267 HG13 VAL 30 3HG1 VAL 30 2.137 10.452 -3.064 268 HG21 VAL 30 3HG2 VAL 30 4.805 8.136 -2.166 269 HG22 VAL 30 1HG2 VAL 30 3.479 8.765 -1.188 270 HG23 VAL 30 2HG2 VAL 30 5.127 9.325 -0.903 271 H ASP 31 H ASP 31 7.489 8.780 -3.588 272 HA ASP 31 HA ASP 31 6.514 7.061 -5.742 273 HB2 ASP 31 2HB ASP 31 8.989 8.148 -5.284 274 HB3 ASP 31 1HB ASP 31 9.189 6.516 -4.653 275 H THR 32 H THR 32 7.705 4.699 -5.313 276 HA THR 32 HA THR 32 6.020 3.434 -3.455 277 HB THR 32 HB THR 32 7.197 1.411 -3.976 278 HG1 THR 32 1HG THR 32 9.300 1.775 -3.863 279 HG21 THR 32 3HG2 THR 32 7.375 3.082 -6.465 280 HG22 THR 32 1HG2 THR 32 5.873 2.408 -5.833 281 HG23 THR 32 2HG2 THR 32 7.172 1.334 -6.347 282 H GLY 33 H GLY 33 9.555 3.930 -3.319 283 HA2 GLY 33 2HA GLY 33 9.937 2.919 -0.742 284 HA3 GLY 33 1HA GLY 33 10.986 4.088 -1.531 285 H ILE 34 H ILE 34 8.983 6.134 -1.805 286 HA ILE 34 HA ILE 34 9.204 7.296 0.814 287 HB ILE 34 HB ILE 34 7.846 8.331 -1.679 288 HG12 ILE 34 2HG1 ILE 34 9.946 9.895 -1.510 289 HG13 ILE 34 1HG1 ILE 34 10.613 8.575 -0.556 290 HG21 ILE 34 1HG2 ILE 34 8.593 10.455 -0.006 291 HG22 ILE 34 2HG2 ILE 34 7.774 9.282 1.026 292 HG23 ILE 34 3HG2 ILE 34 6.963 9.917 -0.405 293 HD11 ILE 34 3HD1 ILE 34 9.417 7.649 -3.025 294 HD12 ILE 34 1HD1 ILE 34 11.025 7.360 -2.365 295 HD13 ILE 34 2HD1 ILE 34 10.703 8.825 -3.293 296 H LEU 35 H LEU 35 6.616 5.981 -1.189 297 HA LEU 35 HA LEU 35 4.491 6.766 0.532 298 HB2 LEU 35 2HB LEU 35 4.170 6.235 -1.851 299 HB3 LEU 35 1HB LEU 35 4.587 4.563 -1.529 300 HG LEU 35 HG LEU 35 2.600 4.432 -0.007 301 HD11 LEU 35 1HD1 LEU 35 1.196 6.156 0.351 302 HD12 LEU 35 2HD1 LEU 35 1.390 6.793 -1.283 303 HD13 LEU 35 3HD1 LEU 35 2.613 7.126 -0.056 304 HD21 LEU 35 3HD2 LEU 35 2.257 5.057 -2.928 305 HD22 LEU 35 1HD2 LEU 35 0.934 4.479 -1.915 306 HD23 LEU 35 2HD2 LEU 35 2.366 3.477 -2.152 307 H ALA 36 H ALA 36 6.246 3.711 0.067 308 HA ALA 36 HA ALA 36 4.833 2.166 1.913 309 HB1 ALA 36 1HB ALA 36 7.771 1.779 1.527 310 HB2 ALA 36 2HB ALA 36 6.661 1.510 0.183 311 HB3 ALA 36 3HB ALA 36 6.489 0.577 1.669 312 H SER 37 H SER 37 7.768 4.120 2.362 313 HA SER 37 HA SER 37 8.166 3.519 5.074 314 HB2 SER 37 2HB SER 37 9.202 5.451 3.136 315 HB3 SER 37 1HB SER 37 9.148 6.089 4.780 316 HG SER 37 HG SER 37 10.965 4.518 3.784 317 H ASP 38 H ASP 38 6.314 6.087 3.494 318 HA ASP 38 HA ASP 38 5.591 7.414 5.905 319 HB2 ASP 38 2HB ASP 38 5.574 8.457 3.621 320 HB3 ASP 38 1HB ASP 38 4.144 7.501 3.251 321 H LEU 39 H LEU 39 4.061 4.936 3.913 322 HA LEU 39 HA LEU 39 1.555 4.894 5.152 323 HB2 LEU 39 2HB LEU 39 2.685 3.565 3.080 324 HB3 LEU 39 1HB LEU 39 2.655 2.294 4.289 325 HG LEU 39 HG LEU 39 0.249 2.504 4.517 326 HD11 LEU 39 1HD1 LEU 39 -0.513 4.597 4.195 327 HD12 LEU 39 2HD1 LEU 39 -0.719 4.049 2.532 328 HD13 LEU 39 3HD1 LEU 39 0.713 4.973 2.984 329 HD21 LEU 39 3HD2 LEU 39 -0.327 1.434 2.560 330 HD22 LEU 39 1HD2 LEU 39 1.425 1.236 2.566 331 HD23 LEU 39 2HD2 LEU 39 0.682 2.482 1.563 332 H GLN 40 H GLN 40 4.529 3.124 5.919 333 HA GLN 40 HA GLN 40 3.367 1.688 8.101 334 HB2 GLN 40 2HB GLN 40 6.052 1.967 6.890 335 HB3 GLN 40 1HB GLN 40 6.022 1.538 8.595 336 HG2 GLN 40 2HG GLN 40 4.878 -0.461 8.191 337 HG3 GLN 40 1HG GLN 40 4.401 0.039 6.569 338 HE21 GLN 40 1HE2 GLN 40 6.611 0.809 5.364 339 HE22 GLN 40 2HE2 GLN 40 7.791 -0.452 5.309 340 H ARG 41 H ARG 41 5.159 4.687 7.757 341 HA ARG 41 HA ARG 41 5.759 5.112 10.471 342 HB2 ARG 41 2HB ARG 41 6.043 6.530 8.020 343 HB3 ARG 41 1HB ARG 41 5.298 7.617 9.182 344 HG2 ARG 41 2HG ARG 41 7.632 7.929 9.350 345 HG3 ARG 41 1HG ARG 41 7.143 7.012 10.776 346 HD2 ARG 41 2HD ARG 41 7.846 4.936 9.643 347 HD3 ARG 41 1HD ARG 41 8.399 5.896 8.271 348 HE ARG 41 HE ARG 41 9.705 6.955 10.423 349 HH11 ARG 41 1HH1 ARG 41 9.446 3.767 9.026 350 HH12 ARG 41 2HH1 ARG 41 11.025 3.277 9.540 351 HH21 ARG 41 1HH2 ARG 41 11.782 6.311 11.102 352 HH22 ARG 41 2HH2 ARG 41 12.351 4.720 10.718 353 H LEU 42 H LEU 42 2.974 6.098 8.507 354 HA LEU 42 HA LEU 42 1.701 7.456 10.691 355 HB2 LEU 42 2HB LEU 42 -0.235 7.610 9.150 356 HB3 LEU 42 1HB LEU 42 1.256 8.239 8.475 357 HG LEU 42 HG LEU 42 1.403 5.779 7.467 358 HD11 LEU 42 1HD1 LEU 42 -1.148 5.478 6.710 359 HD12 LEU 42 2HD1 LEU 42 -1.394 6.103 8.340 360 HD13 LEU 42 3HD1 LEU 42 -0.439 4.641 8.091 361 HD21 LEU 42 3HD2 LEU 42 0.989 8.246 6.469 362 HD22 LEU 42 1HD2 LEU 42 -0.524 7.464 6.009 363 HD23 LEU 42 2HD2 LEU 42 1.016 6.782 5.485 364 H TYR 43 H TYR 43 1.496 4.267 9.230 365 HA TYR 43 HA TYR 43 -0.577 3.532 11.183 366 HB2 TYR 43 2HB TYR 43 0.070 2.607 8.436 367 HB3 TYR 43 1HB TYR 43 -0.517 1.390 9.566 368 HD1 TYR 43 2HD TYR 43 -2.473 2.906 11.143 369 HD2 TYR 43 1HD TYR 43 -1.685 2.990 6.964 370 HE1 TYR 43 2HE TYR 43 -4.784 3.634 10.728 371 HE2 TYR 43 1HE TYR 43 -3.996 3.719 6.536 372 HH TYR 43 HH TYR 43 -6.165 3.681 7.594 373 H SER 44 H SER 44 1.965 3.806 12.184 374 HA SER 44 HA SER 44 3.555 1.496 12.149 375 HB2 SER 44 2HB SER 44 4.452 2.379 14.337 376 HB3 SER 44 1HB SER 44 4.483 3.536 13.006 377 HG SER 44 HG SER 44 3.647 4.341 15.058 378 H VAL 45 H VAL 45 0.708 2.337 14.001 379 HA VAL 45 HA VAL 45 0.947 0.174 15.864 380 HB VAL 45 HB VAL 45 -0.301 2.221 16.422 381 HG11 VAL 45 1HG1 VAL 45 -1.302 2.213 13.970 382 HG12 VAL 45 2HG1 VAL 45 -2.147 2.977 15.317 383 HG13 VAL 45 3HG1 VAL 45 -2.622 1.367 14.778 384 HG21 VAL 45 3HG2 VAL 45 -2.562 0.804 16.935 385 HG22 VAL 45 1HG2 VAL 45 -1.083 0.709 17.891 386 HG23 VAL 45 2HG2 VAL 45 -1.402 -0.492 16.640 387 H ASP 46 H ASP 46 -0.723 0.700 12.810 388 HA ASP 46 HA ASP 46 -2.147 -1.800 12.936 389 HB2 ASP 46 2HB ASP 46 -2.005 0.502 11.094 390 HB3 ASP 46 1HB ASP 46 -2.327 -1.049 10.326 391 H TYR 47 H TYR 47 0.432 -0.518 10.829 392 HA TYR 47 HA TYR 47 1.068 -3.223 9.955 393 HB2 TYR 47 2HB TYR 47 1.797 -0.473 9.037 394 HB3 TYR 47 1HB TYR 47 2.857 -1.815 8.617 395 HD1 TYR 47 1HD TYR 47 1.291 -3.990 7.858 396 HD2 TYR 47 2HD TYR 47 0.390 0.134 7.325 397 HE1 TYR 47 1HE TYR 47 -0.176 -4.562 5.969 398 HE2 TYR 47 2HE TYR 47 -1.080 -0.427 5.434 399 HH TYR 47 HH TYR 47 -2.454 -2.691 4.778 400 H GLY 48 H GLY 48 2.976 -0.441 11.136 401 HA2 GLY 48 2HA GLY 48 4.840 -0.351 12.473 402 HA3 GLY 48 1HA GLY 48 4.264 -1.844 13.199 403 H ARG 49 H ARG 49 5.643 -3.471 13.081 404 HA ARG 49 HA ARG 49 7.748 -3.407 11.051 405 HB2 ARG 49 2HB ARG 49 7.428 -4.850 13.669 406 HB3 ARG 49 1HB ARG 49 8.646 -5.348 12.502 407 HG2 ARG 49 2HG ARG 49 8.744 -2.501 12.947 408 HG3 ARG 49 1HG ARG 49 8.890 -3.392 14.462 409 HD2 ARG 49 2HD ARG 49 10.481 -4.314 12.125 410 HD3 ARG 49 1HD ARG 49 10.996 -2.846 12.954 411 HE ARG 49 HE ARG 49 11.194 -5.539 13.920 412 HH11 ARG 49 1HH1 ARG 49 10.953 -2.189 14.868 413 HH12 ARG 49 2HH1 ARG 49 11.699 -2.441 16.410 414 HH21 ARG 49 1HH2 ARG 49 12.176 -5.873 15.948 415 HH22 ARG 49 2HH2 ARG 49 12.395 -4.532 17.023 416 H ARG 50 H ARG 50 5.193 -4.068 10.120 417 HA ARG 50 HA ARG 50 4.922 -6.922 9.951 418 HB2 ARG 50 2HB ARG 50 3.244 -4.749 9.520 419 HB3 ARG 50 1HB ARG 50 3.490 -5.414 7.912 420 HG2 ARG 50 2HG ARG 50 3.016 -7.621 9.556 421 HG3 ARG 50 1HG ARG 50 1.860 -6.390 10.068 422 HD2 ARG 50 2HD ARG 50 0.864 -6.276 7.970 423 HD3 ARG 50 1HD ARG 50 2.260 -6.986 7.162 424 HE ARG 50 HE ARG 50 0.966 -8.764 9.013 425 HH11 ARG 50 1HH1 ARG 50 0.980 -7.558 5.739 426 HH12 ARG 50 2HH1 ARG 50 0.190 -8.955 5.089 427 HH21 ARG 50 1HH2 ARG 50 -0.071 -10.602 8.160 428 HH22 ARG 50 2HH2 ARG 50 -0.407 -10.683 6.463 429 H LYS 51 H LYS 51 6.909 -7.612 9.091 430 HA LYS 51 HA LYS 51 8.359 -8.239 7.458 431 HB2 LYS 51 2HB LYS 51 5.756 -7.944 6.124 432 HB3 LYS 51 1HB LYS 51 7.138 -7.864 5.041 433 HG2 LYS 51 2HG LYS 51 7.819 -10.030 5.547 434 HG3 LYS 51 1HG LYS 51 6.878 -10.077 7.038 435 HD2 LYS 51 2HD LYS 51 4.960 -10.634 5.969 436 HD3 LYS 51 1HD LYS 51 5.349 -9.666 4.546 437 HE2 LYS 51 2HE LYS 51 5.706 -11.647 3.557 438 HE3 LYS 51 1HE LYS 51 7.247 -11.609 4.413 439 HZ1 LYS 51 3HZ LYS 51 5.864 -13.695 4.643 440 HZ2 LYS 51 1HZ LYS 51 4.816 -12.790 5.617 441 HZ3 LYS 51 2HZ LYS 51 6.428 -13.007 6.082 442 H ARG 52 H ARG 52 10.051 -6.903 7.354 443 HA ARG 52 HA ARG 52 9.901 -4.170 6.639 444 HB2 ARG 52 2HB ARG 52 11.680 -5.281 8.058 445 HB3 ARG 52 1HB ARG 52 12.375 -5.895 6.564 446 HG2 ARG 52 2HG ARG 52 13.442 -3.989 6.220 447 HG3 ARG 52 1HG ARG 52 11.936 -3.077 6.328 448 HD2 ARG 52 2HD ARG 52 13.254 -4.041 8.827 449 HD3 ARG 52 1HD ARG 52 13.894 -2.620 8.005 450 HE ARG 52 HE ARG 52 11.259 -2.068 8.198 451 HH11 ARG 52 1HH1 ARG 52 13.645 -3.086 10.533 452 HH12 ARG 52 2HH1 ARG 52 12.876 -2.278 11.856 453 HH21 ARG 52 1HH2 ARG 52 10.247 -1.003 9.937 454 HH22 ARG 52 2HH2 ARG 52 10.947 -1.095 11.519 455 H ASN 53 H ASN 53 11.405 -6.901 4.898 456 HA ASN 53 HA ASN 53 11.724 -5.384 2.500 457 HB2 ASN 53 2HB ASN 53 12.287 -8.154 3.382 458 HB3 ASN 53 1HB ASN 53 12.048 -7.924 1.653 459 HD21 ASN 53 1HD2 ASN 53 13.274 -5.974 0.766 460 HD22 ASN 53 2HD2 ASN 53 14.913 -5.815 1.288 461 H ALA 54 H ALA 54 9.534 -8.023 3.459 462 HA ALA 54 HA ALA 54 8.163 -8.339 1.077 463 HB1 ALA 54 1HB ALA 54 6.297 -8.597 3.212 464 HB2 ALA 54 2HB ALA 54 7.863 -9.201 3.753 465 HB3 ALA 54 3HB ALA 54 7.118 -9.864 2.299 466 H PHE 55 H PHE 55 7.376 -6.131 3.762 467 HA PHE 55 HA PHE 55 5.070 -5.018 2.650 468 HB2 PHE 55 2HB PHE 55 5.812 -4.707 5.005 469 HB3 PHE 55 1HB PHE 55 7.072 -3.617 4.435 470 HD1 PHE 55 2HD PHE 55 6.471 -1.440 3.454 471 HD2 PHE 55 1HD PHE 55 3.550 -4.003 5.188 472 HE1 PHE 55 2HE PHE 55 4.894 0.446 3.575 473 HE2 PHE 55 1HE PHE 55 1.967 -2.124 5.311 474 HZ PHE 55 HZ PHE 55 2.639 0.105 4.505 475 H ARG 56 H ARG 56 8.456 -3.970 2.392 476 HA ARG 56 HA ARG 56 8.036 -1.650 0.898 477 HB2 ARG 56 2HB ARG 56 10.361 -3.572 0.978 478 HB3 ARG 56 1HB ARG 56 10.396 -2.076 0.055 479 HG2 ARG 56 2HG ARG 56 9.574 -1.745 2.842 480 HG3 ARG 56 1HG ARG 56 11.218 -2.349 2.631 481 HD2 ARG 56 2HD ARG 56 10.233 0.005 1.064 482 HD3 ARG 56 1HD ARG 56 10.818 0.205 2.714 483 HE ARG 56 HE ARG 56 12.622 -1.232 0.990 484 HH11 ARG 56 1HH1 ARG 56 11.635 1.915 2.135 485 HH12 ARG 56 2HH1 ARG 56 13.158 2.659 1.778 486 HH21 ARG 56 1HH2 ARG 56 14.623 -0.254 0.520 487 HH22 ARG 56 2HH2 ARG 56 14.853 1.429 0.860 488 H ILE 57 H ILE 57 8.753 -4.949 -0.238 489 HA ILE 57 HA ILE 57 8.615 -4.383 -2.984 490 HB ILE 57 HB ILE 57 7.923 -7.007 -1.658 491 HG12 ILE 57 2HG1 ILE 57 10.624 -6.491 -2.792 492 HG13 ILE 57 1HG1 ILE 57 10.250 -5.738 -1.244 493 HG21 ILE 57 1HG2 ILE 57 9.277 -6.965 -4.263 494 HG22 ILE 57 2HG2 ILE 57 7.630 -6.334 -4.268 495 HG23 ILE 57 3HG2 ILE 57 7.946 -7.969 -3.689 496 HD11 ILE 57 3HD1 ILE 57 11.258 -8.236 -1.569 497 HD12 ILE 57 1HD1 ILE 57 9.533 -8.566 -1.402 498 HD13 ILE 57 2HD1 ILE 57 10.386 -7.674 -0.143 499 H GLN 58 H GLN 58 6.146 -5.111 -0.609 500 HA GLN 58 HA GLN 58 4.034 -5.635 -2.419 501 HB2 GLN 58 2HB GLN 58 4.300 -5.088 0.474 502 HB3 GLN 58 1HB GLN 58 2.741 -4.684 -0.233 503 HG2 GLN 58 2HG GLN 58 2.137 -6.804 -0.165 504 HG3 GLN 58 1HG GLN 58 3.508 -7.249 -1.179 505 HE21 GLN 58 1HE2 GLN 58 3.297 -6.014 2.136 506 HE22 GLN 58 2HE2 GLN 58 4.155 -7.324 2.865 507 H VAL 59 H VAL 59 5.072 -2.692 -0.726 508 HA VAL 59 HA VAL 59 3.036 -1.011 -1.706 509 HB VAL 59 HB VAL 59 5.839 -0.159 -0.975 510 HG11 VAL 59 1HG1 VAL 59 5.099 1.967 -0.963 511 HG12 VAL 59 2HG1 VAL 59 3.515 1.523 -0.329 512 HG13 VAL 59 3HG1 VAL 59 3.860 1.339 -2.049 513 HG21 VAL 59 3HG2 VAL 59 4.269 0.313 1.228 514 HG22 VAL 59 1HG2 VAL 59 5.403 -1.026 1.041 515 HG23 VAL 59 2HG2 VAL 59 3.695 -1.259 0.670 516 H GLU 60 H GLU 60 6.211 -1.880 -2.967 517 HA GLU 60 HA GLU 60 6.352 -0.018 -5.058 518 HB2 GLU 60 2HB GLU 60 7.513 -2.792 -4.779 519 HB3 GLU 60 1HB GLU 60 7.886 -1.726 -6.127 520 HG2 GLU 60 2HG GLU 60 8.532 -0.043 -4.242 521 HG3 GLU 60 1HG GLU 60 8.663 -1.501 -3.260 522 H LYS 61 H LYS 61 5.060 -3.324 -4.987 523 HA LYS 61 HA LYS 61 4.203 -3.251 -7.717 524 HB2 LYS 61 2HB LYS 61 4.180 -5.174 -5.507 525 HB3 LYS 61 1HB LYS 61 2.756 -5.274 -6.532 526 HG2 LYS 61 2HG LYS 61 4.542 -6.800 -7.240 527 HG3 LYS 61 1HG LYS 61 4.134 -5.616 -8.484 528 HD2 LYS 61 2HD LYS 61 6.151 -4.595 -8.361 529 HD3 LYS 61 1HD LYS 61 6.291 -4.849 -6.619 530 HE2 LYS 61 2HE LYS 61 7.417 -6.773 -6.870 531 HE3 LYS 61 1HE LYS 61 6.389 -7.312 -8.198 532 HZ1 LYS 61 3HZ LYS 61 7.681 -5.485 -9.496 533 HZ2 LYS 61 1HZ LYS 61 8.381 -7.006 -9.253 534 HZ3 LYS 61 2HZ LYS 61 8.841 -5.698 -8.283 535 H VAL 62 H VAL 62 2.699 -2.686 -4.584 536 HA VAL 62 HA VAL 62 0.031 -2.562 -5.506 537 HB VAL 62 HB VAL 62 1.398 -1.533 -3.037 538 HG11 VAL 62 1HG1 VAL 62 -0.180 0.083 -2.964 539 HG12 VAL 62 2HG1 VAL 62 -1.202 -1.237 -2.397 540 HG13 VAL 62 3HG1 VAL 62 -1.244 -0.755 -4.094 541 HG21 VAL 62 3HG2 VAL 62 0.956 -3.620 -2.399 542 HG22 VAL 62 1HG2 VAL 62 -0.032 -3.918 -3.830 543 HG23 VAL 62 2HG2 VAL 62 -0.751 -3.179 -2.398 544 H PHE 63 H PHE 63 2.629 -0.222 -5.377 545 HA PHE 63 HA PHE 63 1.005 2.073 -5.835 546 HB2 PHE 63 2HB PHE 63 3.362 2.041 -4.881 547 HB3 PHE 63 1HB PHE 63 3.928 1.799 -6.531 548 HD1 PHE 63 1HD PHE 63 1.408 4.024 -4.902 549 HD2 PHE 63 2HD PHE 63 4.807 3.703 -7.444 550 HE1 PHE 63 1HE PHE 63 1.360 6.457 -5.265 551 HE2 PHE 63 2HE PHE 63 4.766 6.136 -7.811 552 HZ PHE 63 HZ PHE 63 3.041 7.516 -6.721 553 H SER 64 H SER 64 2.856 -0.096 -7.920 554 HA SER 64 HA SER 64 2.289 1.357 -10.317 555 HB2 SER 64 2HB SER 64 4.281 -0.174 -9.924 556 HB3 SER 64 1HB SER 64 3.170 -1.525 -10.140 557 HG SER 64 HG SER 64 2.637 -0.467 -12.210 558 H ILE 65 H ILE 65 0.790 -1.311 -8.606 559 HA ILE 65 HA ILE 65 -0.907 -2.078 -10.780 560 HB ILE 65 HB ILE 65 -0.180 -3.572 -8.864 561 HG12 ILE 65 2HG1 ILE 65 -3.154 -3.472 -9.395 562 HG13 ILE 65 1HG1 ILE 65 -1.971 -4.099 -10.538 563 HG21 ILE 65 1HG2 ILE 65 -2.508 -2.353 -7.404 564 HG22 ILE 65 2HG2 ILE 65 -0.835 -1.886 -7.108 565 HG23 ILE 65 3HG2 ILE 65 -1.348 -3.545 -6.813 566 HD11 ILE 65 3HD1 ILE 65 -3.241 -5.747 -9.042 567 HD12 ILE 65 1HD1 ILE 65 -2.155 -5.199 -7.765 568 HD13 ILE 65 2HD1 ILE 65 -1.498 -5.946 -9.221 569 H ILE 66 H ILE 66 -1.356 -0.121 -7.853 570 HA ILE 66 HA ILE 66 -4.100 0.268 -8.006 571 HB ILE 66 HB ILE 66 -3.715 2.423 -6.816 572 HG12 ILE 66 2HG1 ILE 66 -0.809 1.680 -7.196 573 HG13 ILE 66 1HG1 ILE 66 -1.621 3.080 -7.883 574 HG21 ILE 66 1HG2 ILE 66 -2.294 1.209 -4.927 575 HG22 ILE 66 2HG2 ILE 66 -2.635 -0.194 -5.940 576 HG23 ILE 66 3HG2 ILE 66 -3.962 0.764 -5.285 577 HD11 ILE 66 3HD1 ILE 66 -0.769 2.576 -5.075 578 HD12 ILE 66 1HD1 ILE 66 -2.112 3.670 -5.404 579 HD13 ILE 66 2HD1 ILE 66 -0.522 3.996 -6.092 580 H SER 67 H SER 67 -1.515 1.850 -9.781 581 HA SER 67 HA SER 67 -3.145 3.914 -10.880 582 HB2 SER 67 2HB SER 67 -1.113 3.869 -12.608 583 HB3 SER 67 1HB SER 67 -0.942 4.542 -10.988 584 HG SER 67 HG SER 67 0.022 2.135 -12.034 585 H SER 68 H SER 68 -1.844 0.884 -12.234 586 HA SER 68 HA SER 68 -3.247 1.174 -14.703 587 HB2 SER 68 2HB SER 68 -1.273 -0.107 -14.829 588 HB3 SER 68 1HB SER 68 -1.711 -1.080 -13.425 589 HG SER 68 HG SER 68 -2.191 -2.368 -15.099 590 H GLU 69 H GLU 69 -3.701 -0.946 -11.880 591 HA GLU 69 HA GLU 69 -5.953 -2.309 -12.778 592 HB2 GLU 69 2HB GLU 69 -4.455 -2.564 -10.615 593 HB3 GLU 69 1HB GLU 69 -5.731 -1.596 -9.888 594 HG2 GLU 69 2HG GLU 69 -7.197 -3.464 -11.173 595 HG3 GLU 69 1HG GLU 69 -5.750 -4.391 -10.781 596 H LYS 70 H LYS 70 -5.786 0.660 -10.820 597 HA LYS 70 HA LYS 70 -8.656 0.994 -10.937 598 HB2 LYS 70 2HB LYS 70 -6.654 3.012 -9.934 599 HB3 LYS 70 1HB LYS 70 -8.354 2.868 -9.506 600 HG2 LYS 70 2HG LYS 70 -6.215 0.866 -8.808 601 HG3 LYS 70 1HG LYS 70 -6.859 2.097 -7.720 602 HD2 LYS 70 2HD LYS 70 -9.040 0.651 -8.855 603 HD3 LYS 70 1HD LYS 70 -7.863 -0.504 -8.229 604 HE2 LYS 70 2HE LYS 70 -9.005 -0.153 -6.306 605 HE3 LYS 70 1HE LYS 70 -7.898 1.214 -6.184 606 HZ1 LYS 70 3HZ LYS 70 -10.540 1.437 -5.996 607 HZ2 LYS 70 1HZ LYS 70 -10.350 1.706 -7.655 608 HZ3 LYS 70 2HZ LYS 70 -9.540 2.687 -6.541 609 H GLU 71 H GLU 71 -5.850 2.899 -12.042 610 HA GLU 71 HA GLU 71 -5.591 4.370 -13.756 611 HB2 GLU 71 2HB GLU 71 -7.552 2.403 -14.763 612 HB3 GLU 71 1HB GLU 71 -7.497 3.929 -15.634 613 HG2 GLU 71 2HG GLU 71 -5.039 3.614 -15.889 614 HG3 GLU 71 1HG GLU 71 -5.226 2.010 -15.181 615 H LEU 72 H LEU 72 -6.011 6.424 -13.297 616 HA LEU 72 HA LEU 72 -8.617 7.296 -12.452 617 HB2 LEU 72 2HB LEU 72 -7.575 9.515 -12.282 618 HB3 LEU 72 1HB LEU 72 -6.657 8.281 -11.440 619 HG LEU 72 HG LEU 72 -5.367 8.242 -13.797 620 HD11 LEU 72 1HD1 LEU 72 -5.904 11.163 -13.498 621 HD12 LEU 72 2HD1 LEU 72 -6.978 10.164 -14.476 622 HD13 LEU 72 3HD1 LEU 72 -5.266 10.274 -14.880 623 HD21 LEU 72 3HD2 LEU 72 -3.664 9.597 -12.750 624 HD22 LEU 72 1HD2 LEU 72 -4.404 8.542 -11.545 625 HD23 LEU 72 2HD2 LEU 72 -4.840 10.250 -11.611 626 H LYS 73 H LYS 73 -6.574 7.767 -15.307 627 HA LYS 73 HA LYS 73 -8.719 7.945 -17.096 628 HB2 LYS 73 2HB LYS 73 -8.728 10.212 -15.702 629 HB3 LYS 73 1HB LYS 73 -7.496 10.653 -16.877 630 HG2 LYS 73 2HG LYS 73 -9.575 11.433 -17.703 631 HG3 LYS 73 1HG LYS 73 -9.120 10.034 -18.679 632 HD2 LYS 73 2HD LYS 73 -10.844 8.781 -17.921 633 HD3 LYS 73 1HD LYS 73 -10.757 9.458 -16.295 634 HE2 LYS 73 2HE LYS 73 -12.588 10.620 -16.801 635 HE3 LYS 73 1HE LYS 73 -11.573 11.589 -17.869 636 HZ1 LYS 73 3HZ LYS 73 -13.582 10.661 -18.947 637 HZ2 LYS 73 1HZ LYS 73 -12.965 9.104 -18.708 638 HZ3 LYS 73 2HZ LYS 73 -12.141 10.196 -19.703 639 H ASN 74 H ASN 74 -6.205 6.673 -16.942 640 HA ASN 74 HA ASN 74 -4.861 7.847 -19.287 641 HB2 ASN 74 2HB ASN 74 -3.685 6.604 -16.815 642 HB3 ASN 74 1HB ASN 74 -2.787 6.621 -18.330 643 HD21 ASN 74 1HD2 ASN 74 -3.147 8.183 -15.515 644 HD22 ASN 74 2HD2 ASN 74 -2.665 9.776 -15.980 Start of MODEL 19 1 H MET 1 H MET 1 -7.509 -16.162 7.916 2 HA MET 1 HA MET 1 -4.679 -16.012 7.155 3 HB2 MET 1 2HB MET 1 -6.036 -17.226 9.535 4 HB3 MET 1 1HB MET 1 -4.631 -18.024 8.841 5 HG2 MET 1 2HG MET 1 -3.769 -15.446 9.045 6 HG3 MET 1 1HG MET 1 -4.815 -15.598 10.456 7 HE1 MET 1 2HE MET 1 -3.908 -16.656 12.742 8 HE2 MET 1 3HE MET 1 -3.115 -15.202 12.136 9 HE3 MET 1 1HE MET 1 -2.151 -16.517 12.811 10 H LYS 2 H LYS 2 -5.547 -16.566 5.042 11 HA LYS 2 HA LYS 2 -6.863 -19.149 4.800 12 HB2 LYS 2 2HB LYS 2 -6.507 -16.785 3.102 13 HB3 LYS 2 1HB LYS 2 -6.339 -18.305 2.234 14 HG2 LYS 2 2HG LYS 2 -8.545 -18.985 3.276 15 HG3 LYS 2 1HG LYS 2 -8.711 -17.300 3.773 16 HD2 LYS 2 2HD LYS 2 -9.136 -16.588 1.671 17 HD3 LYS 2 1HD LYS 2 -8.002 -17.728 0.945 18 HE2 LYS 2 2HE LYS 2 -9.906 -19.423 1.842 19 HE3 LYS 2 1HE LYS 2 -10.885 -18.000 1.489 20 HZ1 LYS 2 3HZ LYS 2 -10.525 -18.188 -0.717 21 HZ2 LYS 2 1HZ LYS 2 -10.279 -19.817 -0.331 22 HZ3 LYS 2 2HZ LYS 2 -8.954 -18.788 -0.542 23 HA PRO 3 HA PRO 3 -3.184 -21.437 3.963 24 HB2 PRO 3 2HB PRO 3 -4.141 -23.379 2.333 25 HB3 PRO 3 1HB PRO 3 -4.486 -23.330 4.066 26 HG2 PRO 3 2HG PRO 3 -6.187 -22.436 1.769 27 HG3 PRO 3 1HG PRO 3 -6.652 -23.348 3.219 28 HD2 PRO 3 2HD PRO 3 -7.089 -20.686 2.966 29 HD3 PRO 3 1HD PRO 3 -6.753 -21.455 4.529 30 H ARG 4 H ARG 4 -1.696 -20.389 2.765 31 HA ARG 4 HA ARG 4 -0.502 -19.672 0.968 32 HB2 ARG 4 2HB ARG 4 -2.193 -21.660 -0.559 33 HB3 ARG 4 1HB ARG 4 -0.677 -20.956 -1.104 34 HG2 ARG 4 2HG ARG 4 -0.559 -22.326 1.493 35 HG3 ARG 4 1HG ARG 4 -0.898 -23.359 0.103 36 HD2 ARG 4 2HD ARG 4 1.134 -22.932 -0.882 37 HD3 ARG 4 1HD ARG 4 1.308 -21.367 -0.090 38 HE ARG 4 HE ARG 4 2.148 -23.925 0.917 39 HH11 ARG 4 1HH1 ARG 4 1.232 -20.670 1.780 40 HH12 ARG 4 2HH1 ARG 4 2.086 -20.696 3.286 41 HH21 ARG 4 1HH2 ARG 4 3.272 -23.961 2.897 42 HH22 ARG 4 2HH2 ARG 4 3.244 -22.564 3.921 43 HA PRO 5 HA PRO 5 -4.209 -16.939 -0.111 44 HB2 PRO 5 2HB PRO 5 -2.162 -14.923 0.653 45 HB3 PRO 5 1HB PRO 5 -3.880 -14.994 1.060 46 HG2 PRO 5 2HG PRO 5 -2.023 -15.586 2.877 47 HG3 PRO 5 1HG PRO 5 -3.543 -16.495 2.794 48 HD2 PRO 5 2HD PRO 5 -0.815 -17.269 1.848 49 HD3 PRO 5 1HD PRO 5 -2.070 -18.266 2.614 50 H GLY 6 H GLY 6 -3.610 -14.577 -1.320 51 HA2 GLY 6 2HA GLY 6 -1.509 -14.941 -3.277 52 HA3 GLY 6 1HA GLY 6 -3.134 -15.114 -3.922 53 H VAL 7 H VAL 7 -4.599 -13.212 -2.845 54 HA VAL 7 HA VAL 7 -3.301 -10.683 -2.619 55 HB VAL 7 HB VAL 7 -3.084 -11.006 -5.052 56 HG11 VAL 7 1HG1 VAL 7 -5.626 -10.606 -6.060 57 HG12 VAL 7 2HG1 VAL 7 -5.861 -11.808 -4.792 58 HG13 VAL 7 3HG1 VAL 7 -4.711 -12.113 -6.094 59 HG21 VAL 7 3HG2 VAL 7 -3.700 -8.759 -3.807 60 HG22 VAL 7 1HG2 VAL 7 -5.157 -8.892 -4.790 61 HG23 VAL 7 2HG2 VAL 7 -3.574 -8.834 -5.564 62 H PHE 8 H PHE 8 -5.140 -12.088 -1.051 63 HA PHE 8 HA PHE 8 -7.622 -10.541 -1.390 64 HB2 PHE 8 2HB PHE 8 -7.143 -13.111 0.136 65 HB3 PHE 8 1HB PHE 8 -8.677 -12.250 0.064 66 HD1 PHE 8 2HD PHE 8 -6.183 -14.062 -1.977 67 HD2 PHE 8 1HD PHE 8 -10.154 -12.554 -1.734 68 HE1 PHE 8 2HE PHE 8 -6.774 -15.301 -4.018 69 HE2 PHE 8 1HE PHE 8 -10.753 -13.791 -3.776 70 HZ PHE 8 HZ PHE 8 -9.062 -15.166 -4.921 71 H VAL 9 H VAL 9 -5.007 -11.326 0.786 72 HA VAL 9 HA VAL 9 -6.191 -9.747 2.940 73 HB VAL 9 HB VAL 9 -4.103 -10.436 4.194 74 HG11 VAL 9 1HG1 VAL 9 -6.289 -12.195 3.274 75 HG12 VAL 9 2HG1 VAL 9 -5.827 -11.715 4.907 76 HG13 VAL 9 3HG1 VAL 9 -4.929 -12.984 4.074 77 HG21 VAL 9 3HG2 VAL 9 -2.975 -10.983 1.890 78 HG22 VAL 9 1HG2 VAL 9 -3.720 -12.562 2.140 79 HG23 VAL 9 2HG2 VAL 9 -2.584 -11.924 3.328 80 H ASP 10 H ASP 10 -3.851 -9.474 0.419 81 HA ASP 10 HA ASP 10 -2.520 -7.198 1.646 82 HB2 ASP 10 2HB ASP 10 -2.120 -8.669 -0.956 83 HB3 ASP 10 1HB ASP 10 -1.247 -7.191 -0.561 84 H ARG 11 H ARG 11 -5.439 -7.379 0.468 85 HA ARG 11 HA ARG 11 -5.501 -5.484 -1.642 86 HB2 ARG 11 2HB ARG 11 -7.308 -7.221 -0.666 87 HB3 ARG 11 1HB ARG 11 -7.873 -5.751 0.118 88 HG2 ARG 11 2HG ARG 11 -7.723 -4.739 -2.273 89 HG3 ARG 11 1HG ARG 11 -7.766 -6.429 -2.784 90 HD2 ARG 11 2HD ARG 11 -9.873 -6.777 -1.740 91 HD3 ARG 11 1HD ARG 11 -9.789 -5.224 -0.910 92 HE ARG 11 HE ARG 11 -10.571 -4.206 -2.805 93 HH11 ARG 11 1HH1 ARG 11 -9.500 -7.427 -3.615 94 HH12 ARG 11 2HH1 ARG 11 -10.136 -7.369 -5.224 95 HH21 ARG 11 1HH2 ARG 11 -11.407 -4.127 -4.923 96 HH22 ARG 11 2HH2 ARG 11 -11.218 -5.496 -5.967 97 H LYS 12 H LYS 12 -5.536 -5.239 1.840 98 HA LYS 12 HA LYS 12 -6.551 -2.682 2.198 99 HB2 LYS 12 2HB LYS 12 -5.315 -2.631 4.294 100 HB3 LYS 12 1HB LYS 12 -6.022 -4.222 4.042 101 HG2 LYS 12 2HG LYS 12 -3.762 -4.912 3.112 102 HG3 LYS 12 1HG LYS 12 -3.149 -3.402 3.789 103 HD2 LYS 12 2HD LYS 12 -3.600 -4.068 5.985 104 HD3 LYS 12 1HD LYS 12 -4.707 -5.341 5.466 105 HE2 LYS 12 2HE LYS 12 -2.948 -6.720 4.738 106 HE3 LYS 12 1HE LYS 12 -1.784 -5.396 4.776 107 HZ1 LYS 12 3HZ LYS 12 -1.893 -5.373 7.164 108 HZ2 LYS 12 1HZ LYS 12 -1.531 -6.943 6.645 109 HZ3 LYS 12 2HZ LYS 12 -3.093 -6.564 7.172 110 H LEU 13 H LEU 13 -3.259 -3.696 1.397 111 HA LEU 13 HA LEU 13 -1.985 -1.228 1.601 112 HB2 LEU 13 2HB LEU 13 -1.156 -3.700 0.993 113 HB3 LEU 13 1HB LEU 13 -1.189 -3.024 -0.624 114 HG LEU 13 HG LEU 13 1.033 -2.793 0.232 115 HD11 LEU 13 1HD1 LEU 13 1.373 -0.638 -0.379 116 HD12 LEU 13 2HD1 LEU 13 0.094 -0.021 0.665 117 HD13 LEU 13 3HD1 LEU 13 -0.313 -0.778 -0.874 118 HD21 LEU 13 3HD2 LEU 13 1.088 -2.885 2.494 119 HD22 LEU 13 1HD2 LEU 13 -0.385 -1.929 2.679 120 HD23 LEU 13 2HD2 LEU 13 1.146 -1.130 2.320 121 H LYS 14 H LYS 14 -3.755 -2.656 -1.109 122 HA LYS 14 HA LYS 14 -3.221 -0.477 -2.887 123 HB2 LYS 14 2HB LYS 14 -3.805 -2.891 -3.517 124 HB3 LYS 14 1HB LYS 14 -5.472 -2.458 -3.165 125 HG2 LYS 14 2HG LYS 14 -4.997 -0.486 -4.815 126 HG3 LYS 14 1HG LYS 14 -3.705 -1.548 -5.381 127 HD2 LYS 14 2HD LYS 14 -5.642 -1.963 -6.722 128 HD3 LYS 14 1HD LYS 14 -5.415 -3.350 -5.655 129 HE2 LYS 14 2HE LYS 14 -7.032 -1.724 -4.163 130 HE3 LYS 14 1HE LYS 14 -7.610 -1.422 -5.800 131 HZ1 LYS 14 3HZ LYS 14 -8.860 -3.222 -5.077 132 HZ2 LYS 14 1HZ LYS 14 -7.551 -3.970 -4.309 133 HZ3 LYS 14 2HZ LYS 14 -7.645 -3.954 -5.998 134 H GLN 15 H GLN 15 -6.128 -1.554 -1.130 135 HA GLN 15 HA GLN 15 -7.784 0.572 -1.887 136 HB2 GLN 15 2HB GLN 15 -8.625 -1.502 -0.877 137 HB3 GLN 15 1HB GLN 15 -7.865 -1.072 0.648 138 HG2 GLN 15 2HG GLN 15 -9.907 -0.291 1.139 139 HG3 GLN 15 1HG GLN 15 -9.356 1.124 0.243 140 HE21 GLN 15 1HE2 GLN 15 -11.143 -1.895 -0.038 141 HE22 GLN 15 2HE2 GLN 15 -12.152 -1.392 -1.348 142 H ARG 16 H ARG 16 -5.645 0.190 0.910 143 HA ARG 16 HA ARG 16 -6.363 2.615 2.173 144 HB2 ARG 16 2HB ARG 16 -5.121 0.623 3.185 145 HB3 ARG 16 1HB ARG 16 -3.679 1.265 2.410 146 HG2 ARG 16 2HG ARG 16 -3.371 2.430 4.277 147 HG3 ARG 16 1HG ARG 16 -4.695 3.455 3.725 148 HD2 ARG 16 2HD ARG 16 -5.710 1.084 5.012 149 HD3 ARG 16 1HD ARG 16 -4.583 1.930 6.068 150 HE ARG 16 HE ARG 16 -6.075 3.673 6.237 151 HH11 ARG 16 1HH1 ARG 16 -7.117 1.490 3.720 152 HH12 ARG 16 2HH1 ARG 16 -8.674 2.227 3.554 153 HH21 ARG 16 1HH2 ARG 16 -8.122 4.645 6.017 154 HH22 ARG 16 2HH2 ARG 16 -9.244 4.018 4.857 155 H VAL 17 H VAL 17 -3.805 1.766 -0.122 156 HA VAL 17 HA VAL 17 -2.529 4.293 -0.093 157 HB VAL 17 HB VAL 17 -2.478 1.977 -2.007 158 HG11 VAL 17 1HG1 VAL 17 -2.104 3.544 -3.624 159 HG12 VAL 17 2HG1 VAL 17 -0.466 3.392 -2.989 160 HG13 VAL 17 3HG1 VAL 17 -1.486 4.738 -2.481 161 HG21 VAL 17 3HG2 VAL 17 -0.059 3.133 -0.758 162 HG22 VAL 17 1HG2 VAL 17 -0.492 1.448 -1.047 163 HG23 VAL 17 2HG2 VAL 17 -1.204 2.321 0.311 164 H ILE 18 H ILE 18 -4.829 2.847 -2.418 165 HA ILE 18 HA ILE 18 -5.039 5.005 -4.146 166 HB ILE 18 HB ILE 18 -7.214 4.139 -4.823 167 HG12 ILE 18 2HG1 ILE 18 -6.977 2.279 -2.446 168 HG13 ILE 18 1HG1 ILE 18 -8.088 3.639 -2.560 169 HG21 ILE 18 1HG2 ILE 18 -6.000 1.548 -4.486 170 HG22 ILE 18 2HG2 ILE 18 -4.787 2.766 -4.881 171 HG23 ILE 18 3HG2 ILE 18 -6.175 2.528 -5.942 172 HD11 ILE 18 3HD1 ILE 18 -9.206 2.570 -4.443 173 HD12 ILE 18 1HD1 ILE 18 -9.212 1.539 -3.013 174 HD13 ILE 18 2HD1 ILE 18 -8.090 1.209 -4.332 175 H GLN 19 H GLN 19 -6.701 4.416 -1.094 176 HA GLN 19 HA GLN 19 -8.459 6.654 -1.311 177 HB2 GLN 19 2HB GLN 19 -7.643 4.832 0.935 178 HB3 GLN 19 1HB GLN 19 -8.633 6.251 1.245 179 HG2 GLN 19 2HG GLN 19 -9.966 5.118 -0.828 180 HG3 GLN 19 1HG GLN 19 -9.331 3.697 -0.000 181 HE21 GLN 19 1HE2 GLN 19 -11.233 2.960 0.814 182 HE22 GLN 19 2HE2 GLN 19 -12.160 3.804 2.002 183 H TYR 20 H TYR 20 -5.233 6.153 -0.069 184 HA TYR 20 HA TYR 20 -5.075 8.588 1.402 185 HB2 TYR 20 2HB TYR 20 -3.245 6.404 0.651 186 HB3 TYR 20 1HB TYR 20 -2.476 7.973 0.866 187 HD1 TYR 20 1HD TYR 20 -3.919 9.176 3.061 188 HD2 TYR 20 2HD TYR 20 -2.768 5.116 2.512 189 HE1 TYR 20 1HE TYR 20 -3.929 8.849 5.498 190 HE2 TYR 20 2HE TYR 20 -2.776 4.778 4.947 191 HH TYR 20 HH TYR 20 -2.991 7.383 7.164 192 H LEU 21 H LEU 21 -4.141 7.626 -1.873 193 HA LEU 21 HA LEU 21 -2.889 10.121 -2.492 194 HB2 LEU 21 2HB LEU 21 -3.997 8.343 -4.619 195 HB3 LEU 21 1HB LEU 21 -2.516 9.278 -4.615 196 HG LEU 21 HG LEU 21 -2.491 7.159 -2.609 197 HD11 LEU 21 1HD1 LEU 21 -3.798 6.421 -4.913 198 HD12 LEU 21 2HD1 LEU 21 -2.969 5.336 -3.800 199 HD13 LEU 21 3HD1 LEU 21 -2.130 5.941 -5.226 200 HD21 LEU 21 3HD2 LEU 21 -0.303 6.826 -3.384 201 HD22 LEU 21 1HD2 LEU 21 -0.576 8.565 -3.512 202 HD23 LEU 21 2HD2 LEU 21 -0.658 7.550 -4.953 203 H SER 22 H SER 22 -6.080 8.720 -3.098 204 HA SER 22 HA SER 22 -7.066 10.828 -4.696 205 HB2 SER 22 2HB SER 22 -8.530 8.820 -2.969 206 HB3 SER 22 1HB SER 22 -9.312 9.897 -4.127 207 HG SER 22 HG SER 22 -8.730 8.601 -5.669 208 H SER 23 H SER 23 -7.454 10.139 -1.225 209 HA SER 23 HA SER 23 -8.990 12.413 -0.622 210 HB2 SER 23 2HB SER 23 -8.665 10.376 0.843 211 HB3 SER 23 1HB SER 23 -7.084 11.029 1.271 212 HG SER 23 HG SER 23 -9.473 12.514 1.573 213 H ASN 24 H ASN 24 -5.499 11.866 -0.621 214 HA ASN 24 HA ASN 24 -5.053 14.720 -0.849 215 HB2 ASN 24 2HB ASN 24 -3.442 14.785 1.028 216 HB3 ASN 24 1HB ASN 24 -5.085 14.454 1.569 217 HD21 ASN 24 1HD2 ASN 24 -5.465 12.680 2.729 218 HD22 ASN 24 2HD2 ASN 24 -4.310 11.435 3.047 219 H ARG 25 H ARG 25 -2.726 15.210 -1.249 220 HA ARG 25 HA ARG 25 -1.698 13.475 -3.236 221 HB2 ARG 25 2HB ARG 25 -1.399 16.001 -3.062 222 HB3 ARG 25 1HB ARG 25 -0.154 15.673 -1.865 223 HG2 ARG 25 2HG ARG 25 1.218 15.711 -3.633 224 HG3 ARG 25 1HG ARG 25 0.652 14.057 -3.877 225 HD2 ARG 25 2HD ARG 25 0.384 15.037 -5.971 226 HD3 ARG 25 1HD ARG 25 -1.229 15.131 -5.264 227 HE ARG 25 HE ARG 25 0.009 17.500 -4.612 228 HH11 ARG 25 1HH1 ARG 25 -0.817 15.816 -7.554 229 HH12 ARG 25 2HH1 ARG 25 -1.008 17.267 -8.479 230 HH21 ARG 25 1HH2 ARG 25 -0.241 19.410 -5.827 231 HH22 ARG 25 2HH2 ARG 25 -0.680 19.308 -7.499 232 H CYS 26 H CYS 26 -0.661 14.206 0.079 233 HA CYS 26 HA CYS 26 0.717 13.116 1.524 234 HB2 CYS 26 2HB CYS 26 -0.944 11.221 0.524 235 HB3 CYS 26 1HB CYS 26 0.614 10.548 0.060 236 HG CYS 26 HG CYS 26 -0.519 10.182 2.693 237 H GLY 27 H GLY 27 2.550 14.309 0.829 238 HA2 GLY 27 2HA GLY 27 4.757 14.451 0.206 239 HA3 GLY 27 1HA GLY 27 4.740 12.702 0.029 240 H LYS 28 H LYS 28 4.985 15.635 -1.578 241 HA LYS 28 HA LYS 28 3.822 15.112 -4.064 242 HB2 LYS 28 2HB LYS 28 5.396 17.140 -2.931 243 HB3 LYS 28 1HB LYS 28 6.290 16.594 -4.343 244 HG2 LYS 28 2HG LYS 28 4.544 17.152 -5.803 245 HG3 LYS 28 1HG LYS 28 3.375 17.285 -4.488 246 HD2 LYS 28 2HD LYS 28 5.764 19.099 -4.778 247 HD3 LYS 28 1HD LYS 28 4.173 19.471 -5.447 248 HE2 LYS 28 2HE LYS 28 3.231 19.240 -3.152 249 HE3 LYS 28 1HE LYS 28 4.876 19.055 -2.544 250 HZ1 LYS 28 3HZ LYS 28 4.265 21.312 -2.278 251 HZ2 LYS 28 1HZ LYS 28 3.703 21.434 -3.869 252 HZ3 LYS 28 2HZ LYS 28 5.359 21.262 -3.567 253 H TYR 29 H TYR 29 4.314 13.765 -5.665 254 HA TYR 29 HA TYR 29 5.396 12.221 -6.934 255 HB2 TYR 29 2HB TYR 29 7.527 14.102 -6.120 256 HB3 TYR 29 1HB TYR 29 8.078 12.531 -6.693 257 HD1 TYR 29 2HD TYR 29 6.121 15.531 -7.621 258 HD2 TYR 29 1HD TYR 29 8.021 11.981 -8.997 259 HE1 TYR 29 2HE TYR 29 5.835 16.285 -9.945 260 HE2 TYR 29 1HE TYR 29 7.742 12.726 -11.324 261 HH TYR 29 HH TYR 29 7.400 14.751 -12.582 262 H VAL 30 H VAL 30 4.577 11.395 -4.414 263 HA VAL 30 HA VAL 30 6.591 10.070 -2.936 264 HB VAL 30 HB VAL 30 4.388 10.580 -1.982 265 HG11 VAL 30 1HG1 VAL 30 2.422 9.878 -2.812 266 HG12 VAL 30 2HG1 VAL 30 3.050 8.283 -3.231 267 HG13 VAL 30 3HG1 VAL 30 3.340 9.654 -4.301 268 HG21 VAL 30 3HG2 VAL 30 3.984 8.380 -0.895 269 HG22 VAL 30 1HG2 VAL 30 5.678 8.870 -0.897 270 HG23 VAL 30 2HG2 VAL 30 5.110 7.654 -2.042 271 H ASP 31 H ASP 31 7.853 8.537 -3.761 272 HA ASP 31 HA ASP 31 6.903 6.782 -5.860 273 HB2 ASP 31 2HB ASP 31 9.331 7.863 -5.396 274 HB3 ASP 31 1HB ASP 31 9.549 6.300 -4.614 275 H THR 32 H THR 32 7.992 4.403 -5.489 276 HA THR 32 HA THR 32 6.267 3.086 -3.733 277 HB THR 32 HB THR 32 7.621 1.086 -4.166 278 HG1 THR 32 1HG THR 32 9.435 2.911 -5.356 279 HG21 THR 32 3HG2 THR 32 6.096 1.970 -5.952 280 HG22 THR 32 1HG2 THR 32 7.410 0.935 -6.510 281 HG23 THR 32 2HG2 THR 32 7.523 2.684 -6.704 282 H GLY 33 H GLY 33 9.793 3.547 -3.401 283 HA2 GLY 33 2HA GLY 33 9.982 2.511 -0.798 284 HA3 GLY 33 1HA GLY 33 11.138 3.605 -1.543 285 H ILE 34 H ILE 34 9.169 5.722 -1.948 286 HA ILE 34 HA ILE 34 9.412 6.970 0.621 287 HB ILE 34 HB ILE 34 7.910 7.975 -1.798 288 HG12 ILE 34 2HG1 ILE 34 10.757 8.603 -1.002 289 HG13 ILE 34 1HG1 ILE 34 10.334 7.393 -2.210 290 HG21 ILE 34 1HG2 ILE 34 7.384 9.104 0.325 291 HG22 ILE 34 2HG2 ILE 34 8.204 10.168 -0.817 292 HG23 ILE 34 3HG2 ILE 34 9.096 9.472 0.535 293 HD11 ILE 34 3HD1 ILE 34 9.181 10.078 -2.593 294 HD12 ILE 34 1HD1 ILE 34 9.831 8.938 -3.770 295 HD13 ILE 34 2HD1 ILE 34 10.926 9.927 -2.805 296 H LEU 35 H LEU 35 6.750 5.685 -1.322 297 HA LEU 35 HA LEU 35 4.658 6.544 0.371 298 HB2 LEU 35 2HB LEU 35 4.634 5.560 -2.060 299 HB3 LEU 35 1HB LEU 35 4.460 4.026 -1.230 300 HG LEU 35 HG LEU 35 2.572 6.375 -1.107 301 HD11 LEU 35 1HD1 LEU 35 2.587 3.738 -2.475 302 HD12 LEU 35 2HD1 LEU 35 1.989 5.300 -3.033 303 HD13 LEU 35 3HD1 LEU 35 1.050 4.359 -1.873 304 HD21 LEU 35 3HD2 LEU 35 2.766 3.899 0.559 305 HD22 LEU 35 1HD2 LEU 35 1.195 4.627 0.223 306 HD23 LEU 35 2HD2 LEU 35 2.440 5.559 1.055 307 H ALA 36 H ALA 36 6.476 3.503 0.193 308 HA ALA 36 HA ALA 36 5.064 2.080 2.137 309 HB1 ALA 36 1HB ALA 36 6.684 1.038 0.637 310 HB2 ALA 36 2HB ALA 36 7.055 0.676 2.322 311 HB3 ALA 36 3HB ALA 36 7.996 1.887 1.452 312 H SER 37 H SER 37 7.711 4.388 2.440 313 HA SER 37 HA SER 37 8.135 3.966 5.224 314 HB2 SER 37 2HB SER 37 9.013 6.000 3.216 315 HB3 SER 37 1HB SER 37 9.191 6.378 4.930 316 HG SER 37 HG SER 37 10.485 4.461 3.379 317 H ASP 38 H ASP 38 6.086 6.094 3.332 318 HA ASP 38 HA ASP 38 5.278 7.701 5.568 319 HB2 ASP 38 2HB ASP 38 5.174 8.041 2.860 320 HB3 ASP 38 1HB ASP 38 3.501 7.625 3.218 321 H LEU 39 H LEU 39 3.866 5.023 3.731 322 HA LEU 39 HA LEU 39 1.378 4.954 5.020 323 HB2 LEU 39 2HB LEU 39 2.497 3.605 2.958 324 HB3 LEU 39 1HB LEU 39 2.545 2.368 4.200 325 HG LEU 39 HG LEU 39 0.140 2.496 4.487 326 HD11 LEU 39 1HD1 LEU 39 -0.888 3.970 2.441 327 HD12 LEU 39 2HD1 LEU 39 0.477 4.965 2.950 328 HD13 LEU 39 3HD1 LEU 39 -0.766 4.510 4.117 329 HD21 LEU 39 3HD2 LEU 39 1.258 1.167 2.592 330 HD22 LEU 39 1HD2 LEU 39 0.591 2.403 1.525 331 HD23 LEU 39 2HD2 LEU 39 -0.486 1.420 2.518 332 H GLN 40 H GLN 40 4.458 3.417 5.815 333 HA GLN 40 HA GLN 40 3.409 1.925 8.014 334 HB2 GLN 40 2HB GLN 40 5.765 1.454 8.546 335 HB3 GLN 40 1HB GLN 40 5.402 1.159 6.851 336 HG2 GLN 40 2HG GLN 40 7.412 2.243 6.709 337 HG3 GLN 40 1HG GLN 40 6.280 3.582 6.521 338 HE21 GLN 40 1HE2 GLN 40 8.516 4.528 7.179 339 HE22 GLN 40 2HE2 GLN 40 8.692 4.863 8.864 340 H ARG 41 H ARG 41 5.068 5.027 7.672 341 HA ARG 41 HA ARG 41 5.564 5.545 10.371 342 HB2 ARG 41 2HB ARG 41 6.155 6.866 8.141 343 HB3 ARG 41 1HB ARG 41 4.737 7.797 8.601 344 HG2 ARG 41 2HG ARG 41 5.725 8.565 10.562 345 HG3 ARG 41 1HG ARG 41 6.946 7.291 10.556 346 HD2 ARG 41 2HD ARG 41 8.313 8.438 9.186 347 HD3 ARG 41 1HD ARG 41 6.981 9.028 8.193 348 HE ARG 41 HE ARG 41 7.148 10.270 10.783 349 HH11 ARG 41 1HH1 ARG 41 8.250 10.378 7.472 350 HH12 ARG 41 2HH1 ARG 41 8.631 12.067 7.523 351 HH21 ARG 41 1HH2 ARG 41 7.648 12.491 10.851 352 HH22 ARG 41 2HH2 ARG 41 8.290 13.266 9.441 353 H LEU 42 H LEU 42 2.728 6.372 8.395 354 HA LEU 42 HA LEU 42 1.307 7.571 10.553 355 HB2 LEU 42 2HB LEU 42 -0.673 7.326 8.988 356 HB3 LEU 42 1HB LEU 42 0.671 8.295 8.417 357 HG LEU 42 HG LEU 42 1.303 5.832 7.401 358 HD11 LEU 42 1HD1 LEU 42 -1.451 5.712 8.108 359 HD12 LEU 42 2HD1 LEU 42 -0.461 4.505 7.289 360 HD13 LEU 42 3HD1 LEU 42 -1.315 5.728 6.350 361 HD21 LEU 42 3HD2 LEU 42 0.571 6.748 5.261 362 HD22 LEU 42 1HD2 LEU 42 1.393 7.973 6.227 363 HD23 LEU 42 2HD2 LEU 42 -0.366 7.983 6.102 364 H TYR 43 H TYR 43 1.471 4.337 9.205 365 HA TYR 43 HA TYR 43 -0.363 3.425 11.325 366 HB2 TYR 43 2HB TYR 43 0.009 2.464 8.501 367 HB3 TYR 43 1HB TYR 43 -0.640 1.389 9.735 368 HD1 TYR 43 2HD TYR 43 -2.306 3.315 11.287 369 HD2 TYR 43 1HD TYR 43 -1.819 2.817 7.091 370 HE1 TYR 43 2HE TYR 43 -4.549 4.252 10.922 371 HE2 TYR 43 1HE TYR 43 -4.061 3.752 6.713 372 HH TYR 43 HH TYR 43 -5.655 5.255 7.903 373 H SER 44 H SER 44 2.086 3.718 12.202 374 HA SER 44 HA SER 44 3.900 1.614 11.704 375 HB2 SER 44 2HB SER 44 5.068 2.381 13.697 376 HB3 SER 44 1HB SER 44 4.530 3.773 12.757 377 HG SER 44 HG SER 44 4.132 3.791 15.119 378 H VAL 45 H VAL 45 1.465 2.091 14.241 379 HA VAL 45 HA VAL 45 2.000 -0.245 15.696 380 HB VAL 45 HB VAL 45 0.602 1.599 16.548 381 HG11 VAL 45 1HG1 VAL 45 -1.408 0.568 14.554 382 HG12 VAL 45 2HG1 VAL 45 -0.668 2.169 14.596 383 HG13 VAL 45 3HG1 VAL 45 -1.789 1.682 15.868 384 HG21 VAL 45 3HG2 VAL 45 0.505 -0.752 17.454 385 HG22 VAL 45 1HG2 VAL 45 -0.978 -0.962 16.524 386 HG23 VAL 45 2HG2 VAL 45 -0.902 0.256 17.796 387 H ASP 46 H ASP 46 0.129 0.309 12.798 388 HA ASP 46 HA ASP 46 -0.914 -2.418 12.847 389 HB2 ASP 46 2HB ASP 46 -1.533 0.040 11.255 390 HB3 ASP 46 1HB ASP 46 -1.978 -1.540 10.614 391 H TYR 47 H TYR 47 0.386 -0.436 10.190 392 HA TYR 47 HA TYR 47 1.341 -2.703 8.775 393 HB2 TYR 47 2HB TYR 47 1.641 0.261 8.440 394 HB3 TYR 47 1HB TYR 47 2.600 -0.837 7.455 395 HD1 TYR 47 1HD TYR 47 0.683 -3.012 6.935 396 HD2 TYR 47 2HD TYR 47 0.100 1.203 6.973 397 HE1 TYR 47 1HE TYR 47 -1.207 -3.265 5.381 398 HE2 TYR 47 2HE TYR 47 -1.792 0.961 5.420 399 HH TYR 47 HH TYR 47 -3.493 -1.127 4.902 400 H GLY 48 H GLY 48 3.052 -0.110 10.529 401 HA2 GLY 48 2HA GLY 48 5.624 -1.272 10.166 402 HA3 GLY 48 1HA GLY 48 5.216 0.005 11.302 403 H ARG 49 H ARG 49 4.615 -3.488 10.881 404 HA ARG 49 HA ARG 49 5.142 -3.803 13.764 405 HB2 ARG 49 2HB ARG 49 3.005 -4.837 12.043 406 HB3 ARG 49 1HB ARG 49 3.767 -6.073 13.034 407 HG2 ARG 49 2HG ARG 49 3.095 -3.601 14.462 408 HG3 ARG 49 1HG ARG 49 1.713 -4.499 13.831 409 HD2 ARG 49 2HD ARG 49 1.952 -5.510 15.869 410 HD3 ARG 49 1HD ARG 49 2.987 -6.545 14.887 411 HE ARG 49 HE ARG 49 4.810 -5.774 16.045 412 HH11 ARG 49 1HH1 ARG 49 2.077 -3.707 16.710 413 HH12 ARG 49 2HH1 ARG 49 2.884 -2.838 17.973 414 HH21 ARG 49 1HH2 ARG 49 5.871 -4.632 17.704 415 HH22 ARG 49 2HH2 ARG 49 5.038 -3.362 18.537 416 H ARG 50 H ARG 50 5.254 -5.602 10.684 417 HA ARG 50 HA ARG 50 7.927 -6.527 11.320 418 HB2 ARG 50 2HB ARG 50 5.530 -8.309 11.288 419 HB3 ARG 50 1HB ARG 50 7.050 -8.930 10.660 420 HG2 ARG 50 2HG ARG 50 8.137 -8.578 12.764 421 HG3 ARG 50 1HG ARG 50 6.721 -7.743 13.406 422 HD2 ARG 50 2HD ARG 50 6.439 -9.839 14.303 423 HD3 ARG 50 1HD ARG 50 5.504 -9.980 12.816 424 HE ARG 50 HE ARG 50 8.157 -10.783 12.334 425 HH11 ARG 50 1HH1 ARG 50 5.280 -11.844 14.001 426 HH12 ARG 50 2HH1 ARG 50 5.669 -13.525 13.862 427 HH21 ARG 50 1HH2 ARG 50 8.669 -12.995 12.150 428 HH22 ARG 50 2HH2 ARG 50 7.592 -14.179 12.811 429 H LYS 51 H LYS 51 8.666 -8.083 9.468 430 HA LYS 51 HA LYS 51 9.205 -8.304 7.272 431 HB2 LYS 51 2HB LYS 51 6.270 -7.678 7.075 432 HB3 LYS 51 1HB LYS 51 7.246 -7.920 5.633 433 HG2 LYS 51 2HG LYS 51 6.846 -9.913 7.855 434 HG3 LYS 51 1HG LYS 51 6.092 -9.960 6.260 435 HD2 LYS 51 2HD LYS 51 8.911 -9.714 5.921 436 HD3 LYS 51 1HD LYS 51 8.598 -11.022 7.062 437 HE2 LYS 51 2HE LYS 51 7.394 -12.256 5.518 438 HE3 LYS 51 1HE LYS 51 7.024 -10.846 4.527 439 HZ1 LYS 51 3HZ LYS 51 9.831 -11.614 4.790 440 HZ2 LYS 51 1HZ LYS 51 9.010 -10.954 3.465 441 HZ3 LYS 51 2HZ LYS 51 8.844 -12.598 3.830 442 H ARG 52 H ARG 52 10.575 -6.395 7.709 443 HA ARG 52 HA ARG 52 9.758 -3.787 6.969 444 HB2 ARG 52 2HB ARG 52 12.079 -5.011 8.039 445 HB3 ARG 52 1HB ARG 52 12.583 -4.125 6.607 446 HG2 ARG 52 2HG ARG 52 10.769 -2.646 8.368 447 HG3 ARG 52 1HG ARG 52 12.324 -3.061 9.091 448 HD2 ARG 52 2HD ARG 52 13.240 -2.181 6.779 449 HD3 ARG 52 1HD ARG 52 11.710 -1.304 6.767 450 HE ARG 52 HE ARG 52 13.127 -1.011 9.234 451 HH11 ARG 52 1HH1 ARG 52 12.894 0.167 5.958 452 HH12 ARG 52 2HH1 ARG 52 13.564 1.719 6.336 453 HH21 ARG 52 1HH2 ARG 52 14.008 1.030 9.733 454 HH22 ARG 52 2HH2 ARG 52 14.197 2.208 8.478 455 H ASN 53 H ASN 53 11.697 -6.235 5.255 456 HA ASN 53 HA ASN 53 11.852 -4.690 2.854 457 HB2 ASN 53 2HB ASN 53 12.747 -7.361 3.759 458 HB3 ASN 53 1HB ASN 53 12.457 -7.199 2.030 459 HD21 ASN 53 1HD2 ASN 53 14.953 -7.741 2.920 460 HD22 ASN 53 2HD2 ASN 53 15.978 -6.369 2.697 461 H ALA 54 H ALA 54 9.952 -7.509 3.876 462 HA ALA 54 HA ALA 54 8.621 -8.041 1.504 463 HB1 ALA 54 1HB ALA 54 7.650 -9.601 2.750 464 HB2 ALA 54 2HB ALA 54 6.838 -8.384 3.735 465 HB3 ALA 54 3HB ALA 54 8.466 -8.917 4.156 466 H PHE 55 H PHE 55 7.814 -5.710 4.044 467 HA PHE 55 HA PHE 55 5.328 -4.889 3.052 468 HB2 PHE 55 2HB PHE 55 6.266 -4.326 5.305 469 HB3 PHE 55 1HB PHE 55 7.333 -3.167 4.522 470 HD1 PHE 55 1HD PHE 55 3.711 -4.026 4.742 471 HD2 PHE 55 2HD PHE 55 6.656 -0.976 4.376 472 HE1 PHE 55 1HE PHE 55 1.950 -2.315 4.888 473 HE2 PHE 55 2HE PHE 55 4.901 0.741 4.523 474 HZ PHE 55 HZ PHE 55 2.544 0.073 4.779 475 H ARG 56 H ARG 56 8.601 -3.752 2.344 476 HA ARG 56 HA ARG 56 7.909 -1.560 0.735 477 HB2 ARG 56 2HB ARG 56 10.221 -2.345 1.687 478 HB3 ARG 56 1HB ARG 56 10.343 -3.213 0.163 479 HG2 ARG 56 2HG ARG 56 11.241 -1.337 -0.630 480 HG3 ARG 56 1HG ARG 56 9.590 -0.716 -0.657 481 HD2 ARG 56 2HD ARG 56 9.992 0.723 1.008 482 HD3 ARG 56 1HD ARG 56 10.854 -0.485 1.958 483 HE ARG 56 HE ARG 56 12.443 0.377 -0.218 484 HH11 ARG 56 1HH1 ARG 56 11.271 1.425 2.898 485 HH12 ARG 56 2HH1 ARG 56 12.613 2.480 3.188 486 HH21 ARG 56 1HH2 ARG 56 14.210 1.764 0.162 487 HH22 ARG 56 2HH2 ARG 56 14.282 2.673 1.635 488 H ILE 57 H ILE 57 8.418 -4.970 -0.045 489 HA ILE 57 HA ILE 57 8.236 -4.731 -2.844 490 HB ILE 57 HB ILE 57 7.425 -7.119 -1.180 491 HG12 ILE 57 2HG1 ILE 57 10.111 -6.891 -2.457 492 HG13 ILE 57 1HG1 ILE 57 9.832 -5.994 -0.968 493 HG21 ILE 57 1HG2 ILE 57 7.857 -8.424 -3.143 494 HG22 ILE 57 2HG2 ILE 57 8.445 -7.006 -4.014 495 HG23 ILE 57 3HG2 ILE 57 6.742 -7.127 -3.573 496 HD11 ILE 57 3HD1 ILE 57 8.871 -8.663 -0.655 497 HD12 ILE 57 1HD1 ILE 57 10.147 -7.823 0.226 498 HD13 ILE 57 2HD1 ILE 57 10.528 -8.694 -1.259 499 H GLN 58 H GLN 58 5.788 -5.215 -0.345 500 HA GLN 58 HA GLN 58 3.610 -5.708 -2.058 501 HB2 GLN 58 2HB GLN 58 3.972 -4.955 0.781 502 HB3 GLN 58 1HB GLN 58 2.411 -4.558 0.075 503 HG2 GLN 58 2HG GLN 58 1.885 -6.783 -0.328 504 HG3 GLN 58 1HG GLN 58 3.567 -7.300 -0.212 505 HE21 GLN 58 1HE2 GLN 58 3.809 -8.557 1.485 506 HE22 GLN 58 2HE2 GLN 58 3.130 -8.301 3.052 507 H VAL 59 H VAL 59 4.831 -2.707 -0.608 508 HA VAL 59 HA VAL 59 2.843 -1.023 -1.718 509 HB VAL 59 HB VAL 59 5.641 -0.211 -0.927 510 HG11 VAL 59 1HG1 VAL 59 3.056 1.342 -0.980 511 HG12 VAL 59 2HG1 VAL 59 4.355 1.470 -2.165 512 HG13 VAL 59 3HG1 VAL 59 4.635 1.960 -0.494 513 HG21 VAL 59 3HG2 VAL 59 5.093 -1.006 1.099 514 HG22 VAL 59 1HG2 VAL 59 3.382 -1.133 0.693 515 HG23 VAL 59 2HG2 VAL 59 4.054 0.416 1.202 516 H GLU 60 H GLU 60 5.939 -2.191 -2.869 517 HA GLU 60 HA GLU 60 6.282 -0.399 -5.013 518 HB2 GLU 60 2HB GLU 60 7.254 -3.228 -4.596 519 HB3 GLU 60 1HB GLU 60 7.743 -2.231 -5.960 520 HG2 GLU 60 2HG GLU 60 8.121 -0.774 -3.528 521 HG3 GLU 60 1HG GLU 60 8.892 -2.355 -3.401 522 H LYS 61 H LYS 61 4.802 -3.627 -4.869 523 HA LYS 61 HA LYS 61 4.032 -3.601 -7.626 524 HB2 LYS 61 2HB LYS 61 3.632 -5.412 -5.301 525 HB3 LYS 61 1HB LYS 61 2.485 -5.540 -6.626 526 HG2 LYS 61 2HG LYS 61 4.225 -7.136 -6.968 527 HG3 LYS 61 1HG LYS 61 4.393 -5.864 -8.178 528 HD2 LYS 61 2HD LYS 61 6.035 -4.799 -6.490 529 HD3 LYS 61 1HD LYS 61 6.073 -6.403 -5.756 530 HE2 LYS 61 2HE LYS 61 7.883 -6.355 -7.262 531 HE3 LYS 61 1HE LYS 61 6.622 -7.290 -8.066 532 HZ1 LYS 61 3HZ LYS 61 7.177 -5.901 -9.747 533 HZ2 LYS 61 1HZ LYS 61 7.687 -4.653 -8.724 534 HZ3 LYS 61 2HZ LYS 61 6.037 -4.904 -8.997 535 H VAL 62 H VAL 62 2.497 -2.795 -4.575 536 HA VAL 62 HA VAL 62 -0.142 -2.562 -5.600 537 HB VAL 62 HB VAL 62 1.184 -1.610 -3.077 538 HG11 VAL 62 1HG1 VAL 62 -1.385 -0.696 -4.225 539 HG12 VAL 62 2HG1 VAL 62 -0.290 0.113 -3.104 540 HG13 VAL 62 3HG1 VAL 62 -1.391 -1.133 -2.515 541 HG21 VAL 62 3HG2 VAL 62 -0.279 -3.925 -3.928 542 HG22 VAL 62 1HG2 VAL 62 -1.127 -3.133 -2.599 543 HG23 VAL 62 2HG2 VAL 62 0.554 -3.630 -2.400 544 H PHE 63 H PHE 63 2.590 -0.388 -5.385 545 HA PHE 63 HA PHE 63 1.145 2.007 -5.889 546 HB2 PHE 63 2HB PHE 63 3.380 2.021 -4.874 547 HB3 PHE 63 1HB PHE 63 4.066 1.373 -6.361 548 HD1 PHE 63 2HD PHE 63 2.386 4.310 -4.881 549 HD2 PHE 63 1HD PHE 63 4.622 2.781 -8.164 550 HE1 PHE 63 2HE PHE 63 2.709 6.600 -5.722 551 HE2 PHE 63 1HE PHE 63 4.949 5.068 -9.010 552 HZ PHE 63 HZ PHE 63 3.992 6.981 -7.789 553 H SER 64 H SER 64 2.813 -0.328 -7.948 554 HA SER 64 HA SER 64 2.427 1.170 -10.354 555 HB2 SER 64 2HB SER 64 4.286 -0.377 -10.204 556 HB3 SER 64 1HB SER 64 3.187 -1.724 -9.904 557 HG SER 64 HG SER 64 2.857 -1.881 -11.970 558 H ILE 65 H ILE 65 0.679 -1.378 -8.688 559 HA ILE 65 HA ILE 65 -1.083 -1.949 -10.865 560 HB ILE 65 HB ILE 65 -0.508 -3.524 -8.972 561 HG12 ILE 65 2HG1 ILE 65 -3.480 -3.178 -9.346 562 HG13 ILE 65 1HG1 ILE 65 -2.433 -3.735 -10.647 563 HG21 ILE 65 1HG2 ILE 65 -2.667 -2.060 -7.476 564 HG22 ILE 65 2HG2 ILE 65 -0.947 -1.821 -7.186 565 HG23 ILE 65 3HG2 ILE 65 -1.671 -3.403 -6.911 566 HD11 ILE 65 3HD1 ILE 65 -3.694 -5.326 -8.827 567 HD12 ILE 65 1HD1 ILE 65 -2.068 -5.202 -8.158 568 HD13 ILE 65 2HD1 ILE 65 -2.302 -5.791 -9.804 569 H ILE 66 H ILE 66 -1.398 -0.023 -7.886 570 HA ILE 66 HA ILE 66 -4.080 0.650 -8.092 571 HB ILE 66 HB ILE 66 -3.542 2.705 -6.829 572 HG12 ILE 66 2HG1 ILE 66 -0.673 1.822 -7.214 573 HG13 ILE 66 1HG1 ILE 66 -1.414 3.245 -7.937 574 HG21 ILE 66 1HG2 ILE 66 -2.119 1.339 -5.016 575 HG22 ILE 66 2HG2 ILE 66 -2.640 0.005 -6.047 576 HG23 ILE 66 3HG2 ILE 66 -3.838 1.064 -5.304 577 HD11 ILE 66 3HD1 ILE 66 -0.207 4.061 -6.122 578 HD12 ILE 66 1HD1 ILE 66 -0.726 2.746 -5.068 579 HD13 ILE 66 2HD1 ILE 66 -1.872 3.999 -5.544 580 H SER 67 H SER 67 -1.310 1.984 -9.786 581 HA SER 67 HA SER 67 -2.740 4.188 -10.921 582 HB2 SER 67 2HB SER 67 -0.316 3.214 -12.309 583 HB3 SER 67 1HB SER 67 -0.726 4.837 -11.757 584 HG SER 67 HG SER 67 0.943 4.095 -10.493 585 H SER 68 H SER 68 -1.687 1.017 -12.130 586 HA SER 68 HA SER 68 -2.817 1.404 -14.725 587 HB2 SER 68 2HB SER 68 -0.946 -0.281 -13.786 588 HB3 SER 68 1HB SER 68 -2.343 -1.357 -13.742 589 HG SER 68 HG SER 68 -1.668 0.170 -16.027 590 H GLU 69 H GLU 69 -3.795 -0.565 -11.917 591 HA GLU 69 HA GLU 69 -6.134 -1.595 -13.064 592 HB2 GLU 69 2HB GLU 69 -5.017 -1.393 -10.340 593 HB3 GLU 69 1HB GLU 69 -6.763 -1.567 -10.426 594 HG2 GLU 69 2HG GLU 69 -5.095 -3.401 -12.054 595 HG3 GLU 69 1HG GLU 69 -5.156 -3.650 -10.311 596 H LYS 70 H LYS 70 -5.688 1.226 -10.935 597 HA LYS 70 HA LYS 70 -8.460 1.971 -11.162 598 HB2 LYS 70 2HB LYS 70 -6.240 3.703 -10.092 599 HB3 LYS 70 1HB LYS 70 -7.952 3.769 -9.700 600 HG2 LYS 70 2HG LYS 70 -6.148 1.462 -9.006 601 HG3 LYS 70 1HG LYS 70 -6.535 2.793 -7.913 602 HD2 LYS 70 2HD LYS 70 -8.926 1.647 -9.075 603 HD3 LYS 70 1HD LYS 70 -7.964 0.423 -8.246 604 HE2 LYS 70 2HE LYS 70 -8.685 1.162 -6.282 605 HE3 LYS 70 1HE LYS 70 -8.028 2.762 -6.626 606 HZ1 LYS 70 3HZ LYS 70 -10.623 1.960 -7.764 607 HZ2 LYS 70 1HZ LYS 70 -10.040 3.512 -7.424 608 HZ3 LYS 70 2HZ LYS 70 -10.535 2.500 -6.163 609 H GLU 71 H GLU 71 -5.392 3.481 -12.179 610 HA GLU 71 HA GLU 71 -4.900 4.960 -13.837 611 HB2 GLU 71 2HB GLU 71 -7.085 3.294 -15.001 612 HB3 GLU 71 1HB GLU 71 -6.571 4.727 -15.880 613 HG2 GLU 71 2HG GLU 71 -4.655 2.606 -14.962 614 HG3 GLU 71 1HG GLU 71 -5.467 2.558 -16.526 615 H LEU 72 H LEU 72 -6.726 5.786 -11.696 616 HA LEU 72 HA LEU 72 -7.573 8.271 -12.863 617 HB2 LEU 72 2HB LEU 72 -9.930 8.052 -12.061 618 HB3 LEU 72 1HB LEU 72 -9.527 7.044 -13.437 619 HG LEU 72 HG LEU 72 -9.071 5.253 -11.521 620 HD11 LEU 72 1HD1 LEU 72 -9.901 7.275 -9.946 621 HD12 LEU 72 2HD1 LEU 72 -10.103 5.570 -9.545 622 HD13 LEU 72 3HD1 LEU 72 -11.439 6.471 -10.265 623 HD21 LEU 72 3HD2 LEU 72 -11.705 4.858 -11.744 624 HD22 LEU 72 1HD2 LEU 72 -10.570 4.516 -13.050 625 HD23 LEU 72 2HD2 LEU 72 -11.483 6.024 -13.047 626 H LYS 73 H LYS 73 -8.854 9.556 -11.065 627 HA LYS 73 HA LYS 73 -8.101 8.885 -8.364 628 HB2 LYS 73 2HB LYS 73 -6.557 10.811 -9.977 629 HB3 LYS 73 1HB LYS 73 -7.037 11.392 -8.389 630 HG2 LYS 73 2HG LYS 73 -5.642 9.997 -7.305 631 HG3 LYS 73 1HG LYS 73 -5.876 8.687 -8.464 632 HD2 LYS 73 2HD LYS 73 -4.255 9.497 -9.903 633 HD3 LYS 73 1HD LYS 73 -4.380 11.144 -9.280 634 HE2 LYS 73 2HE LYS 73 -2.442 10.579 -8.256 635 HE3 LYS 73 1HE LYS 73 -3.545 9.900 -7.061 636 HZ1 LYS 73 3HZ LYS 73 -3.358 7.760 -8.305 637 HZ2 LYS 73 1HZ LYS 73 -1.928 8.262 -7.551 638 HZ3 LYS 73 2HZ LYS 73 -2.117 8.454 -9.220 639 H ASN 74 H ASN 74 -9.934 9.296 -7.330 640 HA ASN 74 HA ASN 74 -11.808 10.342 -6.576 641 HB2 ASN 74 2HB ASN 74 -9.929 12.206 -6.406 642 HB3 ASN 74 1HB ASN 74 -10.903 12.975 -7.654 643 HD21 ASN 74 1HD2 ASN 74 -11.048 11.581 -4.420 644 HD22 ASN 74 2HD2 ASN 74 -12.343 12.575 -3.854 Start of MODEL 20 1 H MET 1 H MET 1 -21.566 -19.922 11.193 2 HA MET 1 HA MET 1 -21.603 -21.032 13.919 3 HB2 MET 1 2HB MET 1 -21.804 -22.331 11.513 4 HB3 MET 1 1HB MET 1 -20.064 -22.313 11.762 5 HG2 MET 1 2HG MET 1 -20.411 -23.332 13.985 6 HG3 MET 1 1HG MET 1 -22.136 -23.433 13.634 7 HE1 MET 1 2HE MET 1 -22.583 -26.582 11.801 8 HE2 MET 1 3HE MET 1 -23.034 -24.937 11.356 9 HE3 MET 1 1HE MET 1 -23.127 -25.452 13.040 10 H LYS 2 H LYS 2 -19.334 -20.539 11.212 11 HA LYS 2 HA LYS 2 -17.254 -19.810 13.111 12 HB2 LYS 2 2HB LYS 2 -17.349 -20.747 10.313 13 HB3 LYS 2 1HB LYS 2 -16.063 -19.605 10.679 14 HG2 LYS 2 2HG LYS 2 -15.199 -21.043 12.396 15 HG3 LYS 2 1HG LYS 2 -16.564 -22.147 12.213 16 HD2 LYS 2 2HD LYS 2 -15.854 -22.623 9.911 17 HD3 LYS 2 1HD LYS 2 -14.477 -21.538 10.118 18 HE2 LYS 2 2HE LYS 2 -13.309 -23.262 10.892 19 HE3 LYS 2 1HE LYS 2 -14.385 -23.307 12.288 20 HZ1 LYS 2 3HZ LYS 2 -15.776 -24.878 11.204 21 HZ2 LYS 2 1HZ LYS 2 -14.187 -25.443 11.058 22 HZ3 LYS 2 2HZ LYS 2 -14.949 -24.712 9.737 23 HA PRO 3 HA PRO 3 -17.355 -15.447 12.573 24 HB2 PRO 3 2HB PRO 3 -14.708 -14.839 12.146 25 HB3 PRO 3 1HB PRO 3 -15.406 -15.183 13.733 26 HG2 PRO 3 2HG PRO 3 -13.880 -16.989 11.899 27 HG3 PRO 3 1HG PRO 3 -13.768 -16.827 13.662 28 HD2 PRO 3 2HD PRO 3 -15.103 -18.856 12.518 29 HD3 PRO 3 1HD PRO 3 -15.665 -18.107 14.027 30 H ARG 4 H ARG 4 -16.318 -13.647 11.074 31 HA ARG 4 HA ARG 4 -16.771 -14.562 8.325 32 HB2 ARG 4 2HB ARG 4 -16.997 -12.045 7.899 33 HB3 ARG 4 1HB ARG 4 -18.271 -12.827 8.823 34 HG2 ARG 4 2HG ARG 4 -16.027 -11.642 10.347 35 HG3 ARG 4 1HG ARG 4 -17.160 -10.536 9.569 36 HD2 ARG 4 2HD ARG 4 -18.833 -12.370 10.724 37 HD3 ARG 4 1HD ARG 4 -17.518 -12.273 11.895 38 HE ARG 4 HE ARG 4 -19.505 -10.303 11.396 39 HH11 ARG 4 1HH1 ARG 4 -16.152 -10.699 12.282 40 HH12 ARG 4 2HH1 ARG 4 -16.069 -9.192 13.132 41 HH21 ARG 4 1HH2 ARG 4 -19.396 -8.319 12.512 42 HH22 ARG 4 2HH2 ARG 4 -17.910 -7.842 13.262 43 HA PRO 5 HA PRO 5 -12.494 -13.894 7.381 44 HB2 PRO 5 2HB PRO 5 -12.618 -13.858 4.693 45 HB3 PRO 5 1HB PRO 5 -12.883 -15.338 5.622 46 HG2 PRO 5 2HG PRO 5 -14.890 -13.488 4.394 47 HG3 PRO 5 1HG PRO 5 -14.866 -15.261 4.409 48 HD2 PRO 5 2HD PRO 5 -16.385 -13.761 6.113 49 HD3 PRO 5 1HD PRO 5 -15.772 -15.377 6.514 50 H GLY 6 H GLY 6 -11.343 -12.500 5.417 51 HA2 GLY 6 2HA GLY 6 -12.503 -9.884 5.083 52 HA3 GLY 6 1HA GLY 6 -11.182 -9.913 6.241 53 H VAL 7 H VAL 7 -9.211 -9.563 5.467 54 HA VAL 7 HA VAL 7 -8.818 -9.705 2.565 55 HB VAL 7 HB VAL 7 -6.695 -8.410 3.090 56 HG11 VAL 7 1HG1 VAL 7 -7.820 -6.522 2.630 57 HG12 VAL 7 2HG1 VAL 7 -8.862 -6.679 4.044 58 HG13 VAL 7 3HG1 VAL 7 -9.232 -7.576 2.571 59 HG21 VAL 7 3HG2 VAL 7 -6.677 -9.038 5.507 60 HG22 VAL 7 1HG2 VAL 7 -8.052 -7.958 5.743 61 HG23 VAL 7 2HG2 VAL 7 -6.504 -7.308 5.205 62 H PHE 8 H PHE 8 -6.292 -10.088 2.111 63 HA PHE 8 HA PHE 8 -4.876 -11.905 3.708 64 HB2 PHE 8 2HB PHE 8 -6.944 -13.275 2.923 65 HB3 PHE 8 1HB PHE 8 -6.110 -13.337 1.374 66 HD1 PHE 8 1HD PHE 8 -6.009 -14.379 4.888 67 HD2 PHE 8 2HD PHE 8 -4.140 -14.668 1.076 68 HE1 PHE 8 1HE PHE 8 -4.677 -16.285 5.691 69 HE2 PHE 8 2HE PHE 8 -2.805 -16.575 1.871 70 HZ PHE 8 HZ PHE 8 -3.072 -17.386 4.182 71 H VAL 9 H VAL 9 -5.616 -10.784 0.454 72 HA VAL 9 HA VAL 9 -2.895 -11.343 -0.435 73 HB VAL 9 HB VAL 9 -5.092 -10.035 -2.035 74 HG11 VAL 9 1HG1 VAL 9 -3.217 -9.716 -3.290 75 HG12 VAL 9 2HG1 VAL 9 -3.647 -11.338 -3.834 76 HG13 VAL 9 3HG1 VAL 9 -2.390 -11.120 -2.616 77 HG21 VAL 9 3HG2 VAL 9 -5.769 -12.159 -2.840 78 HG22 VAL 9 1HG2 VAL 9 -5.737 -12.282 -1.081 79 HG23 VAL 9 2HG2 VAL 9 -4.424 -12.970 -2.037 80 H ASP 10 H ASP 10 -3.385 -9.309 1.619 81 HA ASP 10 HA ASP 10 -2.755 -7.195 2.174 82 HB2 ASP 10 2HB ASP 10 -0.773 -8.265 0.544 83 HB3 ASP 10 1HB ASP 10 -1.065 -6.669 -0.139 84 H ARG 11 H ARG 11 -5.134 -7.406 0.650 85 HA ARG 11 HA ARG 11 -5.263 -5.584 -1.488 86 HB2 ARG 11 2HB ARG 11 -6.991 -7.339 -0.734 87 HB3 ARG 11 1HB ARG 11 -7.553 -6.110 0.390 88 HG2 ARG 11 2HG ARG 11 -8.868 -5.375 -1.236 89 HG3 ARG 11 1HG ARG 11 -7.412 -4.785 -2.039 90 HD2 ARG 11 2HD ARG 11 -8.446 -7.591 -2.379 91 HD3 ARG 11 1HD ARG 11 -8.945 -6.257 -3.419 92 HE ARG 11 HE ARG 11 -6.230 -6.174 -3.509 93 HH11 ARG 11 1HH1 ARG 11 -8.599 -8.665 -4.109 94 HH12 ARG 11 2HH1 ARG 11 -7.628 -9.480 -5.286 95 HH21 ARG 11 1HH2 ARG 11 -4.949 -7.247 -5.055 96 HH22 ARG 11 2HH2 ARG 11 -5.554 -8.677 -5.823 97 H LYS 12 H LYS 12 -5.367 -5.147 1.976 98 HA LYS 12 HA LYS 12 -6.501 -2.615 2.149 99 HB2 LYS 12 2HB LYS 12 -4.728 -4.261 3.832 100 HB3 LYS 12 1HB LYS 12 -4.631 -2.529 4.128 101 HG2 LYS 12 2HG LYS 12 -6.246 -3.653 5.593 102 HG3 LYS 12 1HG LYS 12 -7.000 -2.429 4.568 103 HD2 LYS 12 2HD LYS 12 -7.510 -4.375 2.969 104 HD3 LYS 12 1HD LYS 12 -7.137 -5.419 4.342 105 HE2 LYS 12 2HE LYS 12 -9.144 -5.059 5.228 106 HE3 LYS 12 1HE LYS 12 -8.907 -3.313 5.163 107 HZ1 LYS 12 3HZ LYS 12 -10.251 -5.079 3.252 108 HZ2 LYS 12 1HZ LYS 12 -9.465 -3.707 2.649 109 HZ3 LYS 12 2HZ LYS 12 -10.697 -3.541 3.796 110 H LEU 13 H LEU 13 -3.199 -3.567 1.367 111 HA LEU 13 HA LEU 13 -1.954 -1.081 1.538 112 HB2 LEU 13 2HB LEU 13 -1.109 -3.549 0.916 113 HB3 LEU 13 1HB LEU 13 -1.170 -2.866 -0.698 114 HG LEU 13 HG LEU 13 1.056 -2.598 0.100 115 HD11 LEU 13 1HD1 LEU 13 -0.217 -0.613 -0.990 116 HD12 LEU 13 2HD1 LEU 13 1.378 -0.347 -0.286 117 HD13 LEU 13 3HD1 LEU 13 -0.070 0.121 0.606 118 HD21 LEU 13 3HD2 LEU 13 0.042 -2.640 2.589 119 HD22 LEU 13 1HD2 LEU 13 0.360 -0.913 2.419 120 HD23 LEU 13 2HD2 LEU 13 1.670 -2.076 2.208 121 H LYS 14 H LYS 14 -3.731 -2.554 -1.147 122 HA LYS 14 HA LYS 14 -3.268 -0.370 -2.934 123 HB2 LYS 14 2HB LYS 14 -3.819 -2.794 -3.550 124 HB3 LYS 14 1HB LYS 14 -5.488 -2.392 -3.169 125 HG2 LYS 14 2HG LYS 14 -4.996 -0.392 -4.834 126 HG3 LYS 14 1HG LYS 14 -3.799 -1.533 -5.448 127 HD2 LYS 14 2HD LYS 14 -5.555 -2.224 -6.704 128 HD3 LYS 14 1HD LYS 14 -5.908 -3.175 -5.259 129 HE2 LYS 14 2HE LYS 14 -7.227 -1.032 -4.540 130 HE3 LYS 14 1HE LYS 14 -7.222 -0.692 -6.271 131 HZ1 LYS 14 3HZ LYS 14 -9.076 -1.936 -6.223 132 HZ2 LYS 14 1HZ LYS 14 -8.658 -2.730 -4.789 133 HZ3 LYS 14 2HZ LYS 14 -7.999 -3.239 -6.261 134 H GLN 15 H GLN 15 -6.124 -1.492 -1.127 135 HA GLN 15 HA GLN 15 -7.839 0.589 -1.863 136 HB2 GLN 15 2HB GLN 15 -8.537 -1.535 -0.775 137 HB3 GLN 15 1HB GLN 15 -7.854 -0.951 0.736 138 HG2 GLN 15 2HG GLN 15 -9.875 -0.150 1.174 139 HG3 GLN 15 1HG GLN 15 -9.520 1.098 -0.020 140 HE21 GLN 15 1HE2 GLN 15 -12.096 0.137 0.647 141 HE22 GLN 15 2HE2 GLN 15 -12.765 -0.603 -0.762 142 H ARG 16 H ARG 16 -5.684 0.283 0.944 143 HA ARG 16 HA ARG 16 -6.424 2.731 2.143 144 HB2 ARG 16 2HB ARG 16 -5.096 0.726 3.131 145 HB3 ARG 16 1HB ARG 16 -3.689 1.529 2.446 146 HG2 ARG 16 2HG ARG 16 -3.587 2.581 4.411 147 HG3 ARG 16 1HG ARG 16 -4.894 3.580 3.768 148 HD2 ARG 16 2HD ARG 16 -5.117 1.177 5.570 149 HD3 ARG 16 1HD ARG 16 -5.554 2.845 5.937 150 HE ARG 16 HE ARG 16 -7.004 1.706 3.725 151 HH11 ARG 16 1HH1 ARG 16 -6.916 2.137 7.188 152 HH12 ARG 16 2HH1 ARG 16 -8.622 1.919 7.382 153 HH21 ARG 16 1HH2 ARG 16 -9.248 1.420 3.981 154 HH22 ARG 16 2HH2 ARG 16 -9.946 1.512 5.563 155 H VAL 17 H VAL 17 -3.887 1.862 -0.161 156 HA VAL 17 HA VAL 17 -2.617 4.393 -0.175 157 HB VAL 17 HB VAL 17 -2.582 2.047 -2.048 158 HG11 VAL 17 1HG1 VAL 17 -1.593 4.804 -2.603 159 HG12 VAL 17 2HG1 VAL 17 -2.311 3.621 -3.695 160 HG13 VAL 17 3HG1 VAL 17 -0.643 3.426 -3.158 161 HG21 VAL 17 3HG2 VAL 17 -0.171 3.299 -0.850 162 HG22 VAL 17 1HG2 VAL 17 -0.528 1.600 -1.164 163 HG23 VAL 17 2HG2 VAL 17 -1.263 2.415 0.216 164 H ILE 18 H ILE 18 -4.944 2.920 -2.457 165 HA ILE 18 HA ILE 18 -5.182 5.070 -4.193 166 HB ILE 18 HB ILE 18 -7.374 4.190 -4.829 167 HG12 ILE 18 2HG1 ILE 18 -7.048 2.307 -2.483 168 HG13 ILE 18 1HG1 ILE 18 -8.182 3.652 -2.550 169 HG21 ILE 18 1HG2 ILE 18 -6.059 1.628 -4.518 170 HG22 ILE 18 2HG2 ILE 18 -4.935 2.893 -5.009 171 HG23 ILE 18 3HG2 ILE 18 -6.372 2.568 -5.976 172 HD11 ILE 18 3HD1 ILE 18 -9.205 2.543 -4.556 173 HD12 ILE 18 1HD1 ILE 18 -9.402 1.690 -3.026 174 HD13 ILE 18 2HD1 ILE 18 -8.200 1.140 -4.192 175 H GLN 19 H GLN 19 -6.800 4.484 -1.120 176 HA GLN 19 HA GLN 19 -8.580 6.703 -1.327 177 HB2 GLN 19 2HB GLN 19 -7.725 4.886 0.903 178 HB3 GLN 19 1HB GLN 19 -8.687 6.317 1.247 179 HG2 GLN 19 2HG GLN 19 -10.002 5.089 -0.867 180 HG3 GLN 19 1HG GLN 19 -9.494 3.762 0.176 181 HE21 GLN 19 1HE2 GLN 19 -11.389 6.680 -0.035 182 HE22 GLN 19 2HE2 GLN 19 -12.361 6.387 1.362 183 H TYR 20 H TYR 20 -5.329 6.241 -0.138 184 HA TYR 20 HA TYR 20 -5.190 8.719 1.284 185 HB2 TYR 20 2HB TYR 20 -3.445 6.449 0.777 186 HB3 TYR 20 1HB TYR 20 -2.574 7.976 0.679 187 HD1 TYR 20 1HD TYR 20 -4.079 9.548 2.727 188 HD2 TYR 20 2HD TYR 20 -2.653 5.539 2.786 189 HE1 TYR 20 1HE TYR 20 -3.956 9.635 5.181 190 HE2 TYR 20 2HE TYR 20 -2.528 5.614 5.241 191 HH TYR 20 HH TYR 20 -3.813 7.069 7.105 192 H LEU 21 H LEU 21 -4.197 7.634 -1.937 193 HA LEU 21 HA LEU 21 -2.895 10.067 -2.637 194 HB2 LEU 21 2HB LEU 21 -4.108 8.204 -4.650 195 HB3 LEU 21 1HB LEU 21 -2.664 9.185 -4.795 196 HG LEU 21 HG LEU 21 -2.524 7.126 -2.699 197 HD11 LEU 21 1HD1 LEU 21 -3.207 5.389 -3.899 198 HD12 LEU 21 2HD1 LEU 21 -1.908 5.720 -5.043 199 HD13 LEU 21 3HD1 LEU 21 -3.507 6.417 -5.299 200 HD21 LEU 21 3HD2 LEU 21 -0.332 6.741 -3.905 201 HD22 LEU 21 1HD2 LEU 21 -0.557 8.328 -3.169 202 HD23 LEU 21 2HD2 LEU 21 -0.757 8.128 -4.910 203 H SER 22 H SER 22 -6.181 8.874 -2.923 204 HA SER 22 HA SER 22 -7.103 10.942 -4.653 205 HB2 SER 22 2HB SER 22 -8.147 8.554 -3.628 206 HB3 SER 22 1HB SER 22 -9.191 9.819 -2.982 207 HG SER 22 HG SER 22 -8.927 8.901 -5.546 208 H SER 23 H SER 23 -7.409 10.393 -1.148 209 HA SER 23 HA SER 23 -8.830 12.731 -0.557 210 HB2 SER 23 2HB SER 23 -7.741 10.580 0.894 211 HB3 SER 23 1HB SER 23 -7.031 12.033 1.595 212 HG SER 23 HG SER 23 -9.295 12.832 1.608 213 H ASN 24 H ASN 24 -5.397 12.141 -0.961 214 HA ASN 24 HA ASN 24 -4.855 14.891 -1.419 215 HB2 ASN 24 2HB ASN 24 -3.342 15.278 0.489 216 HB3 ASN 24 1HB ASN 24 -5.002 15.021 1.016 217 HD21 ASN 24 1HD2 ASN 24 -5.521 13.205 2.181 218 HD22 ASN 24 2HD2 ASN 24 -4.331 12.140 2.840 219 H ARG 25 H ARG 25 -2.549 15.281 -1.873 220 HA ARG 25 HA ARG 25 -1.460 13.288 -3.507 221 HB2 ARG 25 2HB ARG 25 0.658 14.744 -3.338 222 HB3 ARG 25 1HB ARG 25 -0.791 15.467 -4.022 223 HG2 ARG 25 2HG ARG 25 -0.907 17.010 -2.421 224 HG3 ARG 25 1HG ARG 25 -0.604 15.831 -1.143 225 HD2 ARG 25 2HD ARG 25 1.830 15.888 -1.899 226 HD3 ARG 25 1HD ARG 25 1.392 17.324 -2.823 227 HE ARG 25 HE ARG 25 0.639 17.454 -0.052 228 HH11 ARG 25 1HH1 ARG 25 3.199 18.028 -2.352 229 HH12 ARG 25 2HH1 ARG 25 3.994 19.205 -1.363 230 HH21 ARG 25 1HH2 ARG 25 1.684 19.001 1.252 231 HH22 ARG 25 2HH2 ARG 25 3.136 19.756 0.685 232 H CYS 26 H CYS 26 -0.822 14.134 -0.151 233 HA CYS 26 HA CYS 26 0.397 13.132 1.487 234 HB2 CYS 26 2HB CYS 26 -1.201 11.240 0.493 235 HB3 CYS 26 1HB CYS 26 0.346 10.512 0.073 236 HG CYS 26 HG CYS 26 -0.562 9.779 2.488 237 H GLY 27 H GLY 27 2.228 14.410 0.571 238 HA2 GLY 27 2HA GLY 27 4.559 14.357 0.442 239 HA3 GLY 27 1HA GLY 27 4.479 12.628 0.138 240 H LYS 28 H LYS 28 5.361 15.462 -1.201 241 HA LYS 28 HA LYS 28 4.336 15.311 -3.826 242 HB2 LYS 28 2HB LYS 28 5.355 17.347 -2.907 243 HB3 LYS 28 1HB LYS 28 6.918 16.543 -2.844 244 HG2 LYS 28 2HG LYS 28 6.760 16.260 -5.332 245 HG3 LYS 28 1HG LYS 28 5.341 17.307 -5.286 246 HD2 LYS 28 2HD LYS 28 6.589 19.158 -4.574 247 HD3 LYS 28 1HD LYS 28 7.955 18.155 -4.076 248 HE2 LYS 28 2HE LYS 28 8.822 18.858 -6.039 249 HE3 LYS 28 1HE LYS 28 7.857 17.532 -6.687 250 HZ1 LYS 28 3HZ LYS 28 6.063 19.489 -6.702 251 HZ2 LYS 28 1HZ LYS 28 7.080 19.158 -8.014 252 HZ3 LYS 28 2HZ LYS 28 7.469 20.400 -6.934 253 H TYR 29 H TYR 29 4.847 14.044 -5.492 254 HA TYR 29 HA TYR 29 5.860 12.454 -6.763 255 HB2 TYR 29 2HB TYR 29 7.764 14.276 -6.351 256 HB3 TYR 29 1HB TYR 29 8.516 12.930 -5.500 257 HD1 TYR 29 1HD TYR 29 6.473 12.997 -8.624 258 HD2 TYR 29 2HD TYR 29 10.249 12.177 -6.844 259 HE1 TYR 29 1HE TYR 29 7.282 12.103 -10.767 260 HE2 TYR 29 2HE TYR 29 11.070 11.282 -8.983 261 HH TYR 29 HH TYR 29 9.226 10.316 -11.400 262 H VAL 30 H VAL 30 4.767 11.701 -4.220 263 HA VAL 30 HA VAL 30 6.401 9.996 -2.730 264 HB VAL 30 HB VAL 30 4.204 10.694 -1.935 265 HG11 VAL 30 1HG1 VAL 30 2.681 8.744 -3.504 266 HG12 VAL 30 2HG1 VAL 30 3.297 10.110 -4.434 267 HG13 VAL 30 3HG1 VAL 30 2.270 10.391 -3.028 268 HG21 VAL 30 3HG2 VAL 30 5.358 8.391 -1.376 269 HG22 VAL 30 1HG2 VAL 30 3.913 7.740 -2.151 270 HG23 VAL 30 2HG2 VAL 30 3.761 8.792 -0.744 271 H ASP 31 H ASP 31 7.704 8.725 -4.024 272 HA ASP 31 HA ASP 31 6.622 7.038 -6.079 273 HB2 ASP 31 2HB ASP 31 9.334 7.406 -4.847 274 HB3 ASP 31 1HB ASP 31 9.021 6.022 -5.889 275 H THR 32 H THR 32 7.660 4.616 -5.879 276 HA THR 32 HA THR 32 5.970 3.214 -4.187 277 HB THR 32 HB THR 32 7.565 1.276 -4.591 278 HG1 THR 32 1HG THR 32 9.497 1.908 -5.096 279 HG21 THR 32 3HG2 THR 32 7.352 1.557 -7.209 280 HG22 THR 32 1HG2 THR 32 6.253 2.849 -6.727 281 HG23 THR 32 2HG2 THR 32 5.960 1.196 -6.187 282 H GLY 33 H GLY 33 9.475 3.754 -3.760 283 HA2 GLY 33 2HA GLY 33 9.612 2.589 -1.194 284 HA3 GLY 33 1HA GLY 33 10.790 3.698 -1.879 285 H ILE 34 H ILE 34 8.922 5.875 -2.246 286 HA ILE 34 HA ILE 34 9.113 7.036 0.352 287 HB ILE 34 HB ILE 34 7.577 8.114 -2.011 288 HG12 ILE 34 2HG1 ILE 34 10.487 8.522 -1.285 289 HG13 ILE 34 1HG1 ILE 34 9.898 7.573 -2.645 290 HG21 ILE 34 1HG2 ILE 34 8.456 10.287 -0.813 291 HG22 ILE 34 2HG2 ILE 34 8.492 9.223 0.593 292 HG23 ILE 34 3HG2 ILE 34 6.981 9.483 -0.279 293 HD11 ILE 34 3HD1 ILE 34 8.845 10.272 -2.651 294 HD12 ILE 34 1HD1 ILE 34 9.678 9.375 -3.921 295 HD13 ILE 34 2HD1 ILE 34 10.607 10.229 -2.688 296 H LEU 35 H LEU 35 6.474 5.739 -1.600 297 HA LEU 35 HA LEU 35 4.370 6.561 0.105 298 HB2 LEU 35 2HB LEU 35 4.434 5.546 -2.364 299 HB3 LEU 35 1HB LEU 35 4.097 4.066 -1.486 300 HG LEU 35 HG LEU 35 2.410 6.567 -1.541 301 HD11 LEU 35 1HD1 LEU 35 0.802 4.519 -2.241 302 HD12 LEU 35 2HD1 LEU 35 2.341 3.955 -2.893 303 HD13 LEU 35 3HD1 LEU 35 1.690 5.514 -3.395 304 HD21 LEU 35 3HD2 LEU 35 0.872 5.413 -0.063 305 HD22 LEU 35 1HD2 LEU 35 2.447 5.584 0.712 306 HD23 LEU 35 2HD2 LEU 35 1.963 4.031 0.030 307 H ALA 36 H ALA 36 6.103 3.471 -0.211 308 HA ALA 36 HA ALA 36 4.732 2.018 1.716 309 HB1 ALA 36 1HB ALA 36 6.516 1.225 0.072 310 HB2 ALA 36 2HB ALA 36 6.504 0.486 1.673 311 HB3 ALA 36 3HB ALA 36 7.689 1.733 1.287 312 H SER 37 H SER 37 7.659 4.003 2.116 313 HA SER 37 HA SER 37 8.040 3.567 4.844 314 HB2 SER 37 2HB SER 37 8.717 5.960 3.124 315 HB3 SER 37 1HB SER 37 9.261 5.774 4.791 316 HG SER 37 HG SER 37 10.271 4.691 2.545 317 H ASP 38 H ASP 38 6.261 6.183 3.215 318 HA ASP 38 HA ASP 38 5.420 7.486 5.565 319 HB2 ASP 38 2HB ASP 38 5.351 8.208 3.022 320 HB3 ASP 38 1HB ASP 38 3.721 7.547 3.106 321 H LEU 39 H LEU 39 3.911 4.969 3.589 322 HA LEU 39 HA LEU 39 1.434 4.893 4.901 323 HB2 LEU 39 2HB LEU 39 2.493 3.639 2.747 324 HB3 LEU 39 1HB LEU 39 2.510 2.329 3.911 325 HG LEU 39 HG LEU 39 0.084 2.627 4.263 326 HD11 LEU 39 1HD1 LEU 39 -0.290 4.256 1.863 327 HD12 LEU 39 2HD1 LEU 39 0.441 5.120 3.215 328 HD13 LEU 39 3HD1 LEU 39 -1.116 4.316 3.420 329 HD21 LEU 39 3HD2 LEU 39 0.903 1.008 2.627 330 HD22 LEU 39 1HD2 LEU 39 0.885 2.254 1.379 331 HD23 LEU 39 2HD2 LEU 39 -0.627 1.718 2.113 332 H GLN 40 H GLN 40 4.440 3.110 5.511 333 HA GLN 40 HA GLN 40 3.345 1.607 7.683 334 HB2 GLN 40 2HB GLN 40 5.611 0.832 8.057 335 HB3 GLN 40 1HB GLN 40 5.252 0.800 6.337 336 HG2 GLN 40 2HG GLN 40 6.743 2.439 5.850 337 HG3 GLN 40 1HG GLN 40 6.561 3.228 7.414 338 HE21 GLN 40 1HE2 GLN 40 8.659 3.359 7.994 339 HE22 GLN 40 2HE2 GLN 40 9.682 1.993 8.261 340 H ARG 41 H ARG 41 4.969 4.678 7.368 341 HA ARG 41 HA ARG 41 5.733 5.005 10.068 342 HB2 ARG 41 2HB ARG 41 5.855 6.523 7.671 343 HB3 ARG 41 1HB ARG 41 5.098 7.537 8.892 344 HG2 ARG 41 2HG ARG 41 7.304 8.038 9.217 345 HG3 ARG 41 1HG ARG 41 7.092 6.724 10.376 346 HD2 ARG 41 2HD ARG 41 8.680 5.554 9.357 347 HD3 ARG 41 1HD ARG 41 7.760 5.591 7.853 348 HE ARG 41 HE ARG 41 9.158 7.230 7.072 349 HH11 ARG 41 1HH1 ARG 41 9.628 6.879 10.512 350 HH12 ARG 41 2HH1 ARG 41 11.020 7.909 10.554 351 HH21 ARG 41 1HH2 ARG 41 10.988 8.584 7.125 352 HH22 ARG 41 2HH2 ARG 41 11.792 8.877 8.631 353 H LEU 42 H LEU 42 2.858 6.090 8.279 354 HA LEU 42 HA LEU 42 1.631 7.258 10.577 355 HB2 LEU 42 2HB LEU 42 -0.383 7.393 9.135 356 HB3 LEU 42 1HB LEU 42 1.048 8.111 8.422 357 HG LEU 42 HG LEU 42 1.207 5.642 7.352 358 HD11 LEU 42 1HD1 LEU 42 -1.744 6.197 7.605 359 HD12 LEU 42 2HD1 LEU 42 -0.870 4.916 8.444 360 HD13 LEU 42 3HD1 LEU 42 -0.994 4.892 6.684 361 HD21 LEU 42 3HD2 LEU 42 0.841 8.163 6.436 362 HD22 LEU 42 1HD2 LEU 42 -0.662 7.400 5.919 363 HD23 LEU 42 2HD2 LEU 42 0.887 6.731 5.409 364 H TYR 43 H TYR 43 1.671 4.087 9.157 365 HA TYR 43 HA TYR 43 -0.366 3.202 11.091 366 HB2 TYR 43 2HB TYR 43 0.343 2.277 8.339 367 HB3 TYR 43 1HB TYR 43 -0.288 1.100 9.487 368 HD1 TYR 43 2HD TYR 43 -2.277 2.693 10.957 369 HD2 TYR 43 1HD TYR 43 -1.370 2.607 6.801 370 HE1 TYR 43 2HE TYR 43 -4.569 3.423 10.448 371 HE2 TYR 43 1HE TYR 43 -3.659 3.338 6.281 372 HH TYR 43 HH TYR 43 -5.696 4.691 8.448 373 H SER 44 H SER 44 2.413 3.651 11.729 374 HA SER 44 HA SER 44 4.003 1.377 11.716 375 HB2 SER 44 2HB SER 44 3.855 3.420 13.945 376 HB3 SER 44 1HB SER 44 5.224 2.380 13.554 377 HG SER 44 HG SER 44 4.352 4.706 12.335 378 H VAL 45 H VAL 45 1.285 2.203 13.747 379 HA VAL 45 HA VAL 45 1.751 0.139 15.682 380 HB VAL 45 HB VAL 45 -0.835 1.596 15.125 381 HG11 VAL 45 1HG1 VAL 45 -0.873 1.109 17.749 382 HG12 VAL 45 2HG1 VAL 45 0.110 -0.260 17.229 383 HG13 VAL 45 3HG1 VAL 45 -1.505 -0.029 16.559 384 HG21 VAL 45 3HG2 VAL 45 0.818 2.458 17.394 385 HG22 VAL 45 1HG2 VAL 45 -0.111 3.411 16.237 386 HG23 VAL 45 2HG2 VAL 45 1.493 2.821 15.806 387 H ASP 46 H ASP 46 0.008 0.419 12.670 388 HA ASP 46 HA ASP 46 -1.287 -2.163 13.036 389 HB2 ASP 46 2HB ASP 46 -2.237 0.019 11.862 390 HB3 ASP 46 1HB ASP 46 -1.425 -0.668 10.458 391 H TYR 47 H TYR 47 0.569 -0.724 10.350 392 HA TYR 47 HA TYR 47 1.377 -3.313 9.409 393 HB2 TYR 47 2HB TYR 47 1.885 -0.487 8.553 394 HB3 TYR 47 1HB TYR 47 2.883 -1.783 7.902 395 HD1 TYR 47 2HD TYR 47 1.026 -3.964 7.497 396 HD2 TYR 47 1HD TYR 47 0.443 0.205 6.881 397 HE1 TYR 47 2HE TYR 47 -0.705 -4.459 5.822 398 HE2 TYR 47 1HE TYR 47 -1.291 -0.279 5.207 399 HH TYR 47 HH TYR 47 -2.767 -3.201 4.878 400 H GLY 48 H GLY 48 2.985 -0.594 11.025 401 HA2 GLY 48 2HA GLY 48 5.595 -1.595 10.988 402 HA3 GLY 48 1HA GLY 48 4.961 -0.477 12.185 403 H ARG 49 H ARG 49 5.588 -3.820 11.418 404 HA ARG 49 HA ARG 49 5.620 -4.444 14.256 405 HB2 ARG 49 2HB ARG 49 3.537 -5.363 12.420 406 HB3 ARG 49 1HB ARG 49 4.346 -6.682 13.255 407 HG2 ARG 49 2HG ARG 49 3.812 -4.706 15.190 408 HG3 ARG 49 1HG ARG 49 2.348 -4.889 14.223 409 HD2 ARG 49 2HD ARG 49 1.871 -6.710 15.406 410 HD3 ARG 49 1HD ARG 49 3.277 -7.490 14.684 411 HE ARG 49 HE ARG 49 3.898 -5.856 16.967 412 HH11 ARG 49 1HH1 ARG 49 2.903 -9.025 15.898 413 HH12 ARG 49 2HH1 ARG 49 3.490 -9.825 17.317 414 HH21 ARG 49 1HH2 ARG 49 4.670 -6.907 18.834 415 HH22 ARG 49 2HH2 ARG 49 4.493 -8.624 18.984 416 H ARG 50 H ARG 50 5.721 -6.117 11.104 417 HA ARG 50 HA ARG 50 8.483 -6.869 11.566 418 HB2 ARG 50 2HB ARG 50 7.980 -9.294 11.150 419 HB3 ARG 50 1HB ARG 50 7.423 -8.685 12.702 420 HG2 ARG 50 2HG ARG 50 5.209 -8.279 11.249 421 HG3 ARG 50 1HG ARG 50 5.887 -9.661 10.384 422 HD2 ARG 50 2HD ARG 50 5.501 -9.587 13.371 423 HD3 ARG 50 1HD ARG 50 4.302 -10.231 12.250 424 HE ARG 50 HE ARG 50 6.541 -11.591 11.592 425 HH11 ARG 50 1HH1 ARG 50 4.905 -11.027 14.623 426 HH12 ARG 50 2HH1 ARG 50 5.411 -12.530 15.319 427 HH21 ARG 50 1HH2 ARG 50 7.207 -13.569 12.506 428 HH22 ARG 50 2HH2 ARG 50 6.718 -13.972 14.118 429 H LYS 51 H LYS 51 9.340 -8.152 9.661 430 HA LYS 51 HA LYS 51 9.779 -8.269 7.435 431 HB2 LYS 51 2HB LYS 51 6.866 -8.564 7.655 432 HB3 LYS 51 1HB LYS 51 7.406 -8.006 6.078 433 HG2 LYS 51 2HG LYS 51 8.948 -9.937 5.968 434 HG3 LYS 51 1HG LYS 51 8.278 -10.514 7.495 435 HD2 LYS 51 2HD LYS 51 6.356 -11.219 6.536 436 HD3 LYS 51 1HD LYS 51 6.315 -9.880 5.388 437 HE2 LYS 51 2HE LYS 51 7.188 -11.152 3.789 438 HE3 LYS 51 1HE LYS 51 8.546 -11.597 4.821 439 HZ1 LYS 51 3HZ LYS 51 6.756 -13.340 3.930 440 HZ2 LYS 51 1HZ LYS 51 6.021 -12.918 5.394 441 HZ3 LYS 51 2HZ LYS 51 7.593 -13.542 5.386 442 H ARG 52 H ARG 52 10.713 -6.071 7.936 443 HA ARG 52 HA ARG 52 9.345 -3.717 7.160 444 HB2 ARG 52 2HB ARG 52 12.130 -4.451 7.856 445 HB3 ARG 52 1HB ARG 52 11.929 -3.000 6.882 446 HG2 ARG 52 2HG ARG 52 10.752 -1.892 8.541 447 HG3 ARG 52 1HG ARG 52 10.322 -3.389 9.372 448 HD2 ARG 52 2HD ARG 52 13.159 -2.420 9.139 449 HD3 ARG 52 1HD ARG 52 12.101 -1.943 10.466 450 HE ARG 52 HE ARG 52 12.265 -4.787 10.082 451 HH11 ARG 52 1HH1 ARG 52 13.729 -2.018 11.619 452 HH12 ARG 52 2HH1 ARG 52 14.480 -2.952 12.869 453 HH21 ARG 52 1HH2 ARG 52 13.251 -6.017 11.725 454 HH22 ARG 52 2HH2 ARG 52 14.210 -5.223 12.929 455 H ASN 53 H ASN 53 11.578 -5.876 5.465 456 HA ASN 53 HA ASN 53 11.635 -4.309 3.075 457 HB2 ASN 53 2HB ASN 53 12.710 -6.352 2.089 458 HB3 ASN 53 1HB ASN 53 13.508 -5.741 3.535 459 HD21 ASN 53 1HD2 ASN 53 11.685 -8.317 2.138 460 HD22 ASN 53 2HD2 ASN 53 11.844 -9.425 3.454 461 H ALA 54 H ALA 54 9.794 -7.097 4.196 462 HA ALA 54 HA ALA 54 8.581 -7.839 1.800 463 HB1 ALA 54 1HB ALA 54 7.430 -9.291 3.063 464 HB2 ALA 54 2HB ALA 54 6.850 -8.034 4.155 465 HB3 ALA 54 3HB ALA 54 8.461 -8.718 4.374 466 H PHE 55 H PHE 55 7.530 -5.479 4.236 467 HA PHE 55 HA PHE 55 5.096 -4.779 3.036 468 HB2 PHE 55 2HB PHE 55 5.872 -4.174 5.366 469 HB3 PHE 55 1HB PHE 55 6.864 -2.919 4.633 470 HD1 PHE 55 2HD PHE 55 3.333 -4.126 4.581 471 HD2 PHE 55 1HD PHE 55 5.989 -0.802 4.520 472 HE1 PHE 55 2HE PHE 55 1.409 -2.592 4.622 473 HE2 PHE 55 1HE PHE 55 4.071 0.738 4.561 474 HZ PHE 55 HZ PHE 55 1.777 -0.157 4.612 475 H ARG 56 H ARG 56 8.375 -3.597 2.531 476 HA ARG 56 HA ARG 56 7.762 -1.383 0.920 477 HB2 ARG 56 2HB ARG 56 10.203 -3.160 1.002 478 HB3 ARG 56 1HB ARG 56 10.108 -1.685 0.050 479 HG2 ARG 56 2HG ARG 56 9.396 -1.398 2.887 480 HG3 ARG 56 1HG ARG 56 11.079 -1.813 2.560 481 HD2 ARG 56 2HD ARG 56 10.599 0.141 0.710 482 HD3 ARG 56 1HD ARG 56 9.624 0.679 2.076 483 HE ARG 56 HE ARG 56 12.091 0.005 3.110 484 HH11 ARG 56 1HH1 ARG 56 10.845 2.288 0.783 485 HH12 ARG 56 2HH1 ARG 56 12.085 3.459 1.081 486 HH21 ARG 56 1HH2 ARG 56 13.724 1.544 3.503 487 HH22 ARG 56 2HH2 ARG 56 13.720 3.037 2.624 488 H ILE 57 H ILE 57 8.351 -4.777 0.111 489 HA ILE 57 HA ILE 57 8.259 -4.469 -2.695 490 HB ILE 57 HB ILE 57 7.494 -6.937 -1.132 491 HG12 ILE 57 2HG1 ILE 57 10.218 -6.633 -2.267 492 HG13 ILE 57 1HG1 ILE 57 9.859 -5.680 -0.831 493 HG21 ILE 57 1HG2 ILE 57 7.179 -6.548 -3.761 494 HG22 ILE 57 2HG2 ILE 57 7.605 -8.111 -3.064 495 HG23 ILE 57 3HG2 ILE 57 8.861 -7.080 -3.748 496 HD11 ILE 57 3HD1 ILE 57 10.663 -8.342 -0.945 497 HD12 ILE 57 1HD1 ILE 57 8.959 -8.385 -0.491 498 HD13 ILE 57 2HD1 ILE 57 10.104 -7.449 0.470 499 H GLN 58 H GLN 58 5.769 -5.258 -0.298 500 HA GLN 58 HA GLN 58 3.666 -5.755 -2.078 501 HB2 GLN 58 2HB GLN 58 3.904 -5.052 0.792 502 HB3 GLN 58 1HB GLN 58 2.343 -4.749 0.044 503 HG2 GLN 58 2HG GLN 58 1.874 -6.868 0.504 504 HG3 GLN 58 1HG GLN 58 2.956 -7.279 -0.826 505 HE21 GLN 58 1HE2 GLN 58 3.331 -6.236 2.549 506 HE22 GLN 58 2HE2 GLN 58 4.451 -7.476 2.986 507 H VAL 59 H VAL 59 4.689 -2.742 -0.503 508 HA VAL 59 HA VAL 59 2.646 -1.132 -1.631 509 HB VAL 59 HB VAL 59 5.368 -0.224 -0.684 510 HG11 VAL 59 1HG1 VAL 59 4.401 1.579 -1.798 511 HG12 VAL 59 2HG1 VAL 59 3.959 1.850 -0.113 512 HG13 VAL 59 3HG1 VAL 59 2.778 1.179 -1.237 513 HG21 VAL 59 3HG2 VAL 59 3.616 -1.610 0.843 514 HG22 VAL 59 1HG2 VAL 59 3.048 0.038 1.105 515 HG23 VAL 59 2HG2 VAL 59 4.722 -0.387 1.467 516 H GLU 60 H GLU 60 5.900 -1.998 -2.656 517 HA GLU 60 HA GLU 60 6.204 -0.164 -4.746 518 HB2 GLU 60 2HB GLU 60 7.340 -2.885 -4.189 519 HB3 GLU 60 1HB GLU 60 7.681 -2.086 -5.719 520 HG2 GLU 60 2HG GLU 60 8.796 -0.305 -4.655 521 HG3 GLU 60 1HG GLU 60 8.192 -0.776 -3.068 522 H LYS 61 H LYS 61 4.841 -3.440 -4.739 523 HA LYS 61 HA LYS 61 4.178 -3.380 -7.524 524 HB2 LYS 61 2HB LYS 61 3.758 -5.251 -5.253 525 HB3 LYS 61 1HB LYS 61 2.654 -5.386 -6.615 526 HG2 LYS 61 2HG LYS 61 4.470 -6.921 -6.915 527 HG3 LYS 61 1HG LYS 61 4.602 -5.635 -8.117 528 HD2 LYS 61 2HD LYS 61 6.318 -4.540 -6.821 529 HD3 LYS 61 1HD LYS 61 6.123 -5.708 -5.513 530 HE2 LYS 61 2HE LYS 61 6.812 -6.639 -8.270 531 HE3 LYS 61 1HE LYS 61 8.068 -5.986 -7.219 532 HZ1 LYS 61 3HZ LYS 61 6.294 -8.045 -6.131 533 HZ2 LYS 61 1HZ LYS 61 7.923 -7.738 -5.797 534 HZ3 LYS 61 2HZ LYS 61 7.487 -8.527 -7.227 535 H VAL 62 H VAL 62 2.561 -2.559 -4.541 536 HA VAL 62 HA VAL 62 -0.072 -2.446 -5.614 537 HB VAL 62 HB VAL 62 1.179 -1.404 -3.091 538 HG11 VAL 62 1HG1 VAL 62 -1.400 -0.588 -4.297 539 HG12 VAL 62 2HG1 VAL 62 -0.332 0.288 -3.203 540 HG13 VAL 62 3HG1 VAL 62 -1.404 -0.963 -2.574 541 HG21 VAL 62 3HG2 VAL 62 -1.140 -2.986 -2.691 542 HG22 VAL 62 1HG2 VAL 62 0.538 -3.386 -2.324 543 HG23 VAL 62 2HG2 VAL 62 -0.139 -3.790 -3.901 544 H PHE 63 H PHE 63 2.588 -0.186 -5.402 545 HA PHE 63 HA PHE 63 1.086 2.155 -5.983 546 HB2 PHE 63 2HB PHE 63 3.339 2.193 -4.944 547 HB3 PHE 63 1HB PHE 63 4.027 1.630 -6.464 548 HD1 PHE 63 1HD PHE 63 2.003 4.398 -5.023 549 HD2 PHE 63 2HD PHE 63 4.729 3.162 -8.048 550 HE1 PHE 63 1HE PHE 63 2.210 6.729 -5.784 551 HE2 PHE 63 2HE PHE 63 4.942 5.490 -8.814 552 HZ PHE 63 HZ PHE 63 3.681 7.278 -7.681 553 H SER 64 H SER 64 2.882 -0.152 -7.971 554 HA SER 64 HA SER 64 2.457 1.278 -10.412 555 HB2 SER 64 2HB SER 64 4.307 -0.461 -9.816 556 HB3 SER 64 1HB SER 64 3.102 -1.653 -10.307 557 HG SER 64 HG SER 64 4.405 0.305 -11.836 558 H ILE 65 H ILE 65 0.790 -1.290 -8.703 559 HA ILE 65 HA ILE 65 -0.906 -1.986 -10.900 560 HB ILE 65 HB ILE 65 -0.289 -3.498 -8.958 561 HG12 ILE 65 2HG1 ILE 65 -3.264 -3.345 -9.394 562 HG13 ILE 65 1HG1 ILE 65 -2.169 -3.801 -10.696 563 HG21 ILE 65 1HG2 ILE 65 -0.889 -1.776 -7.224 564 HG22 ILE 65 2HG2 ILE 65 -1.505 -3.401 -6.933 565 HG23 ILE 65 3HG2 ILE 65 -2.579 -2.147 -7.556 566 HD11 ILE 65 3HD1 ILE 65 -1.849 -5.254 -8.152 567 HD12 ILE 65 1HD1 ILE 65 -1.756 -5.833 -9.816 568 HD13 ILE 65 2HD1 ILE 65 -3.329 -5.563 -9.062 569 H ILE 66 H ILE 66 -1.337 -0.007 -7.970 570 HA ILE 66 HA ILE 66 -4.045 0.535 -8.210 571 HB ILE 66 HB ILE 66 -3.604 2.661 -7.016 572 HG12 ILE 66 2HG1 ILE 66 -0.705 1.859 -7.345 573 HG13 ILE 66 1HG1 ILE 66 -1.482 3.255 -8.082 574 HG21 ILE 66 1HG2 ILE 66 -3.852 1.144 -5.386 575 HG22 ILE 66 2HG2 ILE 66 -2.114 1.341 -5.170 576 HG23 ILE 66 3HG2 ILE 66 -2.735 0.005 -6.138 577 HD11 ILE 66 3HD1 ILE 66 -0.430 4.221 -6.300 578 HD12 ILE 66 1HD1 ILE 66 -0.652 2.812 -5.262 579 HD13 ILE 66 2HD1 ILE 66 -2.013 3.881 -5.602 580 H SER 67 H SER 67 -1.325 1.935 -9.924 581 HA SER 67 HA SER 67 -2.821 4.050 -11.132 582 HB2 SER 67 2HB SER 67 -0.271 2.946 -12.275 583 HB3 SER 67 1HB SER 67 -0.843 4.612 -12.250 584 HG SER 67 HG SER 67 0.852 4.157 -10.722 585 H SER 68 H SER 68 -1.645 0.892 -12.273 586 HA SER 68 HA SER 68 -2.817 1.172 -14.861 587 HB2 SER 68 2HB SER 68 -0.866 -0.413 -13.881 588 HB3 SER 68 1HB SER 68 -2.216 -1.548 -13.858 589 HG SER 68 HG SER 68 -0.827 -1.226 -15.877 590 H GLU 69 H GLU 69 -3.677 -0.795 -12.011 591 HA GLU 69 HA GLU 69 -5.958 -1.976 -13.110 592 HB2 GLU 69 2HB GLU 69 -4.644 -1.959 -10.607 593 HB3 GLU 69 1HB GLU 69 -6.328 -1.563 -10.296 594 HG2 GLU 69 2HG GLU 69 -6.217 -3.882 -10.124 595 HG3 GLU 69 1HG GLU 69 -6.900 -3.585 -11.721 596 H LYS 70 H LYS 70 -5.674 0.940 -11.087 597 HA LYS 70 HA LYS 70 -8.482 1.517 -11.311 598 HB2 LYS 70 2HB LYS 70 -6.336 3.416 -10.371 599 HB3 LYS 70 1HB LYS 70 -8.047 3.432 -9.964 600 HG2 LYS 70 2HG LYS 70 -6.151 1.236 -9.169 601 HG3 LYS 70 1HG LYS 70 -6.560 2.615 -8.148 602 HD2 LYS 70 2HD LYS 70 -8.947 1.368 -9.171 603 HD3 LYS 70 1HD LYS 70 -7.930 0.181 -8.353 604 HE2 LYS 70 2HE LYS 70 -7.952 1.406 -6.336 605 HE3 LYS 70 1HE LYS 70 -8.606 2.840 -7.125 606 HZ1 LYS 70 3HZ LYS 70 -10.693 2.048 -7.030 607 HZ2 LYS 70 1HZ LYS 70 -10.088 1.107 -5.761 608 HZ3 LYS 70 2HZ LYS 70 -10.235 0.445 -7.309 609 H GLU 71 H GLU 71 -5.504 3.006 -12.571 610 HA GLU 71 HA GLU 71 -5.114 4.352 -14.361 611 HB2 GLU 71 2HB GLU 71 -7.191 2.506 -15.189 612 HB3 GLU 71 1HB GLU 71 -7.335 4.041 -16.033 613 HG2 GLU 71 2HG GLU 71 -5.279 3.825 -17.056 614 HG3 GLU 71 1HG GLU 71 -4.683 2.684 -15.851 615 H LEU 72 H LEU 72 -5.826 6.310 -15.476 616 HA LEU 72 HA LEU 72 -8.273 7.579 -14.700 617 HB2 LEU 72 2HB LEU 72 -6.253 7.794 -12.858 618 HB3 LEU 72 1HB LEU 72 -6.030 9.248 -13.812 619 HG LEU 72 HG LEU 72 -8.650 8.475 -12.533 620 HD11 LEU 72 1HD1 LEU 72 -6.274 9.856 -11.456 621 HD12 LEU 72 2HD1 LEU 72 -7.527 8.933 -10.627 622 HD13 LEU 72 3HD1 LEU 72 -7.837 10.598 -11.117 623 HD21 LEU 72 3HD2 LEU 72 -9.040 10.965 -12.878 624 HD22 LEU 72 1HD2 LEU 72 -9.067 9.948 -14.318 625 HD23 LEU 72 2HD2 LEU 72 -7.643 10.924 -13.955 626 H LYS 73 H LYS 73 -4.956 8.207 -15.825 627 HA LYS 73 HA LYS 73 -6.056 9.468 -18.217 628 HB2 LYS 73 2HB LYS 73 -4.219 10.799 -16.242 629 HB3 LYS 73 1HB LYS 73 -4.244 11.284 -17.932 630 HG2 LYS 73 2HG LYS 73 -6.914 11.153 -16.850 631 HG3 LYS 73 1HG LYS 73 -5.883 12.216 -15.892 632 HD2 LYS 73 2HD LYS 73 -5.608 12.535 -18.796 633 HD3 LYS 73 1HD LYS 73 -7.199 12.954 -18.157 634 HE2 LYS 73 2HE LYS 73 -6.417 14.744 -17.011 635 HE3 LYS 73 1HE LYS 73 -4.873 13.974 -16.651 636 HZ1 LYS 73 3HZ LYS 73 -5.350 14.644 -19.440 637 HZ2 LYS 73 1HZ LYS 73 -3.936 14.778 -18.519 638 HZ3 LYS 73 2HZ LYS 73 -5.143 15.956 -18.393 639 H ASN 74 H ASN 74 -4.278 9.923 -19.835 640 HA ASN 74 HA ASN 74 -2.598 9.163 -21.167 641 HB2 ASN 74 2HB ASN 74 -1.364 9.688 -18.896 642 HB3 ASN 74 1HB ASN 74 -1.192 7.936 -18.829 643 HD21 ASN 74 1HD2 ASN 74 -0.439 6.984 -21.000 644 HD22 ASN 74 2HD2 ASN 74 0.896 7.795 -21.739
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