NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
643750 | 6ir0 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 HN ASN 1 -2.538 5.085 -5.088 2 HA ASN 1 HA ASN 1 -1.913 3.295 -3.594 3 HB2 ASN 1 2HB ASN 1 -1.658 0.996 -4.637 4 HB3 ASN 1 3HB ASN 1 -3.311 1.578 -4.469 5 HD21 ASN 1 1HD2 ASN 1 -4.541 1.872 -6.248 6 HD22 ASN 1 2HD2 ASN 1 -4.015 1.522 -7.857 7 H TYR 2 HN TYR 2 0.218 2.568 -3.307 8 HA TYR 2 HA TYR 2 2.078 3.500 -5.389 9 HB2 TYR 2 2HB TYR 2 3.039 2.974 -2.625 10 HB3 TYR 2 3HB TYR 2 3.515 4.230 -3.762 11 HD1 TYR 2 1HD TYR 2 2.574 6.389 -3.642 12 HD2 TYR 2 2HD TYR 2 0.839 3.213 -1.404 13 HE1 TYR 2 1HE TYR 2 1.160 8.009 -2.449 14 HE2 TYR 2 2HE TYR 2 -0.580 4.824 -0.206 15 HH TYR 2 HH TYR 2 -0.381 8.307 -0.883 16 H THR 3 HN THR 3 0.727 0.737 -4.395 17 HA THR 3 HA THR 3 3.155 -0.838 -4.953 18 HB THR 3 HB THR 3 2.680 -2.398 -3.339 19 HG1 THR 3 1HG THR 3 0.013 -1.631 -2.912 20 HG21 THR 3 1HG2 THR 3 1.327 0.043 -2.183 21 HG22 THR 3 2HG2 THR 3 3.069 -0.224 -2.234 22 HG23 THR 3 3HG2 THR 3 2.041 -1.288 -1.274 23 H GLU 4 HN GLU 4 3.017 -2.347 -6.519 24 HA GLU 4 HA GLU 4 1.263 -2.316 -8.552 25 HB2 GLU 4 2HB GLU 4 3.150 -3.701 -8.802 26 HB3 GLU 4 3HB GLU 4 2.756 -4.643 -7.370 27 HG2 GLU 4 2HG GLU 4 1.010 -5.775 -8.473 28 HG3 GLU 4 3HG GLU 4 1.033 -4.648 -9.827 29 H GLU 5 HN GLU 5 -0.869 -1.965 -7.996 30 HA GLU 5 HA GLU 5 -2.392 -3.322 -6.131 31 HB2 GLU 5 2HB GLU 5 -2.937 -1.288 -7.717 32 HB3 GLU 5 3HB GLU 5 -3.638 -2.539 -8.733 33 HG2 GLU 5 2HG GLU 5 -4.990 -3.252 -6.739 34 HG3 GLU 5 3HG GLU 5 -4.420 -1.793 -5.931 35 H LEU 6 HN LEU 6 -4.116 -4.917 -6.471 36 HA LEU 6 HA LEU 6 -3.412 -6.901 -8.531 37 HB2 LEU 6 2HB LEU 6 -4.343 -7.481 -5.724 38 HB3 LEU 6 3HB LEU 6 -3.942 -8.673 -6.959 39 HG LEU 6 HG LEU 6 -2.090 -6.885 -5.409 40 HD11 LEU 6 1HD1 LEU 6 -2.097 -8.767 -4.189 41 HD12 LEU 6 2HD1 LEU 6 -1.028 -9.376 -5.452 42 HD13 LEU 6 3HD1 LEU 6 -2.753 -9.743 -5.505 43 HD21 LEU 6 1HD2 LEU 6 -1.769 -7.980 -8.123 44 HD22 LEU 6 2HD2 LEU 6 -0.430 -8.284 -7.016 45 HD23 LEU 6 3HD2 LEU 6 -0.952 -6.629 -7.335 46 H LYS 7 HN LYS 7 -5.012 -7.002 -9.953 47 HA LYS 7 HA LYS 7 -7.485 -5.968 -9.924 48 HB2 LYS 7 2HB LYS 7 -6.353 -7.328 -11.768 49 HB3 LYS 7 3HB LYS 7 -7.044 -8.750 -10.998 50 HG2 LYS 7 2HG LYS 7 -8.617 -8.294 -12.599 51 HG3 LYS 7 3HG LYS 7 -9.283 -7.430 -11.211 52 HD2 LYS 7 2HD LYS 7 -9.210 -5.519 -12.343 53 HD3 LYS 7 3HD LYS 7 -7.471 -5.705 -12.580 54 HE2 LYS 7 2HE LYS 7 -7.991 -7.199 -14.524 55 HE3 LYS 7 3HE LYS 7 -9.686 -6.750 -14.336 56 HZ1 LYS 7 1HZ LYS 7 -7.417 -5.078 -15.189 57 HZ2 LYS 7 2HZ LYS 7 -8.783 -4.361 -14.497 58 HZ3 LYS 7 3HZ LYS 7 -8.933 -5.270 -15.915 59 H VAL 8 HN VAL 8 -6.464 -8.772 -8.140 60 HA VAL 8 HA VAL 8 -9.040 -8.802 -6.764 61 HB VAL 8 HB VAL 8 -9.434 -11.102 -6.979 62 HG11 VAL 8 1HG1 VAL 8 -8.399 -10.194 -9.663 63 HG12 VAL 8 2HG1 VAL 8 -9.541 -11.509 -9.382 64 HG13 VAL 8 3HG1 VAL 8 -9.997 -9.847 -9.003 65 HG21 VAL 8 1HG2 VAL 8 -7.292 -12.022 -6.564 66 HG22 VAL 8 2HG2 VAL 8 -7.785 -12.614 -8.149 67 HG23 VAL 8 3HG2 VAL 8 -6.619 -11.298 -8.024 68 HA PRO 9 HA PRO 9 -6.502 -9.198 -3.194 69 HB2 PRO 9 2HB PRO 9 -8.298 -10.291 -1.477 70 HB3 PRO 9 3HB PRO 9 -8.361 -8.599 -1.983 71 HG2 PRO 9 2HG PRO 9 -9.933 -10.937 -2.992 72 HG3 PRO 9 3HG PRO 9 -10.485 -9.293 -2.625 73 HD2 PRO 9 2HD PRO 9 -9.981 -10.131 -5.150 74 HD3 PRO 9 3HD PRO 9 -9.720 -8.453 -4.630 75 HA PRO 10 HA PRO 10 -4.972 -13.368 -3.525 76 HB2 PRO 10 2HB PRO 10 -2.967 -13.095 -1.715 77 HB3 PRO 10 3HB PRO 10 -2.876 -12.444 -3.357 78 HG2 PRO 10 2HG PRO 10 -3.555 -11.044 -0.799 79 HG3 PRO 10 3HG PRO 10 -2.516 -10.502 -2.129 80 HD2 PRO 10 2HD PRO 10 -5.065 -9.640 -1.827 81 HD3 PRO 10 3HD PRO 10 -4.305 -9.831 -3.420 82 H ASP 11 HN ASP 11 -3.859 -14.752 -1.460 83 HA ASP 11 HA ASP 11 -6.094 -15.004 0.444 84 HB2 ASP 11 2HB ASP 11 -5.890 -16.924 -1.080 85 HB3 ASP 11 3HB ASP 11 -4.222 -17.158 -0.563 86 H GLU 12 HN GLU 12 -3.552 -13.400 0.592 87 HA GLU 12 HA GLU 12 -2.022 -14.701 2.673 88 HB2 GLU 12 2HB GLU 12 -1.836 -11.917 1.509 89 HB3 GLU 12 3HB GLU 12 -0.712 -12.591 2.681 90 HG2 GLU 12 2HG GLU 12 -1.188 -14.038 0.122 91 HG3 GLU 12 3HG GLU 12 -0.156 -12.609 0.133 92 H ASP 13 HN ASP 13 -4.701 -12.566 2.444 93 HA ASP 13 HA ASP 13 -6.038 -11.595 4.008 94 HB2 ASP 13 2HB ASP 13 -6.338 -13.440 5.327 95 HB3 ASP 13 3HB ASP 13 -4.609 -13.689 5.557 96 H CYS 14 HN CYS 14 -6.033 -9.658 5.017 97 HA CYS 14 HA CYS 14 -3.827 -8.018 5.012 98 HB2 CYS 14 2HB CYS 14 -6.264 -7.359 5.288 99 HB3 CYS 14 3HB CYS 14 -6.084 -7.739 6.998 100 H ILE 15 HN ILE 15 -2.808 -6.935 6.941 101 HA ILE 15 HA ILE 15 -2.231 -8.910 9.051 102 HB ILE 15 HB ILE 15 -0.020 -7.144 8.774 103 HG12 ILE 15 2HG1 ILE 15 -0.959 -6.894 6.427 104 HG13 ILE 15 3HG1 ILE 15 0.704 -7.462 6.531 105 HG21 ILE 15 1HG2 ILE 15 -0.600 -10.022 8.742 106 HG22 ILE 15 2HG2 ILE 15 0.877 -9.549 7.905 107 HG23 ILE 15 3HG2 ILE 15 0.651 -9.123 9.601 108 HD11 ILE 15 1HD1 ILE 15 -1.575 -8.698 5.311 109 HD12 ILE 15 2HD1 ILE 15 0.130 -9.148 5.224 110 HD13 ILE 15 3HD1 ILE 15 -0.880 -9.762 6.533 111 H ILE 16 HN ILE 16 -3.230 -5.768 8.271 112 HA ILE 16 HA ILE 16 -2.402 -4.520 10.735 113 HB ILE 16 HB ILE 16 -4.504 -3.443 8.875 114 HG12 ILE 16 2HG1 ILE 16 -1.856 -4.124 8.144 115 HG13 ILE 16 3HG1 ILE 16 -3.028 -3.198 7.213 116 HG21 ILE 16 1HG2 ILE 16 -4.155 -2.300 11.015 117 HG22 ILE 16 2HG2 ILE 16 -2.449 -2.094 10.621 118 HG23 ILE 16 3HG2 ILE 16 -3.681 -1.288 9.650 119 HD11 ILE 16 1HD1 ILE 16 -2.233 -1.144 8.263 120 HD12 ILE 16 2HD1 ILE 16 -1.055 -2.076 9.187 121 HD13 ILE 16 3HD1 ILE 16 -0.935 -1.998 7.430 122 H CYS 17 HN CYS 17 -5.643 -5.009 9.323 123 HA CYS 17 HA CYS 17 -6.824 -4.943 11.969 124 HB2 CYS 17 2HB CYS 17 -8.969 -5.042 10.784 125 HB3 CYS 17 3HB CYS 17 -7.938 -3.779 10.118 126 H MET 18 HN MET 18 -5.395 -7.273 10.115 127 HA MET 18 HA MET 18 -5.352 -9.546 10.155 128 HB2 MET 18 2HB MET 18 -6.411 -8.793 12.824 129 HB3 MET 18 3HB MET 18 -6.585 -10.478 12.348 130 HG2 MET 18 2HG MET 18 -3.992 -10.015 11.704 131 HG3 MET 18 3HG MET 18 -4.195 -8.961 13.103 132 HE1 MET 18 1HE MET 18 -6.375 -12.383 12.949 133 HE2 MET 18 2HE MET 18 -5.117 -12.383 11.713 134 HE3 MET 18 3HE MET 18 -5.004 -13.484 13.087 135 H GLU 19 HN GLU 19 -7.318 -8.504 8.560 136 HA GLU 19 HA GLU 19 -9.509 -10.437 8.928 137 HB2 GLU 19 2HB GLU 19 -9.751 -7.692 7.685 138 HB3 GLU 19 3HB GLU 19 -11.053 -8.850 7.920 139 HG2 GLU 19 2HG GLU 19 -9.677 -8.263 10.397 140 HG3 GLU 19 3HG GLU 19 -10.317 -6.809 9.633 141 H LYS 20 HN LYS 20 -10.579 -11.077 6.901 142 HA LYS 20 HA LYS 20 -8.816 -12.095 5.029 143 HB2 LYS 20 2HB LYS 20 -11.770 -11.550 4.940 144 HB3 LYS 20 3HB LYS 20 -10.937 -12.214 3.540 145 HG2 LYS 20 2HG LYS 20 -10.074 -14.009 5.161 146 HG3 LYS 20 3HG LYS 20 -11.350 -13.441 6.240 147 HD2 LYS 20 2HD LYS 20 -13.029 -13.921 4.561 148 HD3 LYS 20 3HD LYS 20 -11.777 -14.385 3.405 149 HE2 LYS 20 2HE LYS 20 -12.634 -16.404 4.271 150 HE3 LYS 20 3HE LYS 20 -11.084 -16.157 5.074 151 HZ1 LYS 20 1HZ LYS 20 -13.500 -15.136 6.377 152 HZ2 LYS 20 2HZ LYS 20 -12.075 -15.732 7.065 153 HZ3 LYS 20 3HZ LYS 20 -13.216 -16.802 6.421 154 H LEU 21 HN LEU 21 -7.846 -11.346 3.242 155 HA LEU 21 HA LEU 21 -7.765 -8.577 2.701 156 HB2 LEU 21 2HB LEU 21 -6.563 -11.017 1.617 157 HB3 LEU 21 3HB LEU 21 -6.778 -9.732 0.431 158 HG LEU 21 HG LEU 21 -5.166 -9.616 2.976 159 HD11 LEU 21 1HD1 LEU 21 -3.294 -9.260 1.461 160 HD12 LEU 21 2HD1 LEU 21 -4.376 -9.389 0.074 161 HD13 LEU 21 3HD1 LEU 21 -4.104 -10.789 1.112 162 HD21 LEU 21 1HD2 LEU 21 -5.956 -7.465 2.910 163 HD22 LEU 21 2HD2 LEU 21 -6.154 -7.472 1.157 164 HD23 LEU 21 3HD2 LEU 21 -4.544 -7.323 1.862 165 H SER 22 HN SER 22 -10.130 -10.780 1.992 166 HA SER 22 HA SER 22 -10.871 -9.686 -0.593 167 HB2 SER 22 2HB SER 22 -12.110 -11.556 -0.847 168 HB3 SER 22 3HB SER 22 -11.248 -12.147 0.574 169 HG SER 22 HG SER 22 -13.867 -11.401 0.297 170 H THR 23 HN THR 23 -12.123 -9.725 2.721 171 HA THR 23 HA THR 23 -14.490 -8.333 2.328 172 HB THR 23 HB THR 23 -13.790 -7.405 4.766 173 HG1 THR 23 1HG THR 23 -12.499 -9.100 5.726 174 HG21 THR 23 1HG2 THR 23 -15.636 -9.033 3.989 175 HG22 THR 23 2HG2 THR 23 -15.074 -9.141 5.657 176 HG23 THR 23 3HG2 THR 23 -14.507 -10.303 4.457 177 H ALA 24 HN ALA 24 -12.153 -6.597 4.238 178 HA ALA 24 HA ALA 24 -11.352 -4.635 2.427 179 HB1 ALA 24 1HB ALA 24 -13.193 -3.439 2.080 180 HB2 ALA 24 2HB ALA 24 -14.087 -4.347 3.300 181 HB3 ALA 24 3HB ALA 24 -13.114 -2.955 3.774 182 H SER 25 HN SER 25 -11.027 -2.408 3.784 183 HA SER 25 HA SER 25 -9.153 -3.077 5.793 184 HB2 SER 25 2HB SER 25 -8.580 -1.087 4.792 185 HB3 SER 25 3HB SER 25 -10.253 -0.548 4.659 186 HG SER 25 HG SER 25 -8.954 -0.777 7.157 187 H GLY 26 HN GLY 26 -9.329 -3.242 7.948 188 HA2 GLY 26 1HA GLY 26 -11.961 -3.226 9.122 189 HA3 GLY 26 2HA GLY 26 -10.456 -3.639 9.933 190 H TYR 27 HN TYR 27 -9.238 -1.061 9.045 191 HA TYR 27 HA TYR 27 -10.183 0.509 11.285 192 HB2 TYR 27 2HB TYR 27 -7.931 0.971 9.320 193 HB3 TYR 27 3HB TYR 27 -8.279 2.009 10.697 194 HD1 TYR 27 1HD TYR 27 -9.101 -1.049 11.929 195 HD2 TYR 27 2HD TYR 27 -5.648 1.093 10.668 196 HE1 TYR 27 1HE TYR 27 -7.699 -2.477 13.359 197 HE2 TYR 27 2HE TYR 27 -4.238 -0.330 12.094 198 HH TYR 27 HH TYR 27 -5.595 -3.064 13.878 199 H SER 28 HN SER 28 -11.133 0.201 8.151 200 HA SER 28 HA SER 28 -11.381 2.604 6.954 201 HB2 SER 28 2HB SER 28 -12.610 1.253 5.647 202 HB3 SER 28 3HB SER 28 -12.950 0.160 6.989 203 HG SER 28 HG SER 28 -14.662 1.691 5.827 204 H ASP 29 HN ASP 29 -12.833 1.671 9.950 205 HA ASP 29 HA ASP 29 -14.893 3.582 10.098 206 HB2 ASP 29 2HB ASP 29 -13.439 1.855 12.018 207 HB3 ASP 29 3HB ASP 29 -14.248 3.266 12.697 208 H VAL 30 HN VAL 30 -11.665 3.658 11.620 209 HA VAL 30 HA VAL 30 -11.744 6.596 11.411 210 HB VAL 30 HB VAL 30 -10.203 6.377 13.562 211 HG11 VAL 30 1HG1 VAL 30 -12.007 7.134 14.839 212 HG12 VAL 30 2HG1 VAL 30 -12.444 7.571 13.186 213 HG13 VAL 30 3HG1 VAL 30 -13.170 6.154 13.946 214 HG21 VAL 30 1HG2 VAL 30 -10.458 3.862 13.494 215 HG22 VAL 30 2HG2 VAL 30 -10.811 4.631 15.041 216 HG23 VAL 30 3HG2 VAL 30 -12.131 4.107 13.996 217 H THR 31 HN THR 31 -10.447 6.611 9.576 218 HA THR 31 HA THR 31 -7.616 6.193 10.098 219 HB THR 31 HB THR 31 -7.706 5.185 7.570 220 HG1 THR 31 1HG THR 31 -9.424 3.398 8.136 221 HG21 THR 31 1HG2 THR 31 -6.322 4.114 9.094 222 HG22 THR 31 2HG2 THR 31 -7.571 2.900 8.813 223 HG23 THR 31 3HG2 THR 31 -7.618 3.894 10.269 224 H ASP 32 HN ASP 32 -6.277 7.507 8.891 225 HA ASP 32 HA ASP 32 -7.575 9.746 7.596 226 HB2 ASP 32 2HB ASP 32 -5.500 10.855 7.728 227 HB3 ASP 32 3HB ASP 32 -5.581 9.891 9.200 228 H SER 33 HN SER 33 -8.137 7.621 6.077 229 HA SER 33 HA SER 33 -6.272 6.953 4.080 230 HB2 SER 33 2HB SER 33 -8.835 6.769 2.929 231 HB3 SER 33 3HB SER 33 -7.908 5.474 3.685 232 HG SER 33 HG SER 33 -10.174 6.492 4.515 233 H LYS 34 HN LYS 34 -5.563 8.020 2.353 234 HA LYS 34 HA LYS 34 -6.625 10.661 1.791 235 HB2 LYS 34 2HB LYS 34 -4.096 9.695 1.797 236 HB3 LYS 34 3HB LYS 34 -4.477 9.552 0.086 237 HG2 LYS 34 2HG LYS 34 -3.456 11.652 0.354 238 HG3 LYS 34 3HG LYS 34 -5.181 11.975 0.166 239 HD2 LYS 34 2HD LYS 34 -5.401 12.180 2.599 240 HD3 LYS 34 3HD LYS 34 -3.672 11.868 2.778 241 HE2 LYS 34 2HE LYS 34 -3.996 13.963 0.891 242 HE3 LYS 34 3HE LYS 34 -4.996 14.338 2.294 243 HZ1 LYS 34 1HZ LYS 34 -2.285 14.716 2.057 244 HZ2 LYS 34 2HZ LYS 34 -2.437 13.377 3.078 245 HZ3 LYS 34 3HZ LYS 34 -3.201 14.834 3.475 246 H ALA 35 HN ALA 35 -5.673 7.946 -0.321 247 HA ALA 35 HA ALA 35 -8.115 8.408 -1.890 248 HB1 ALA 35 1HB ALA 35 -6.269 9.516 -3.043 249 HB2 ALA 35 2HB ALA 35 -5.362 8.004 -3.054 250 HB3 ALA 35 3HB ALA 35 -6.863 8.137 -3.968 251 H LEU 36 HN LEU 36 -6.595 6.315 -0.004 252 HA LEU 36 HA LEU 36 -6.756 3.932 -1.626 253 HB2 LEU 36 2HB LEU 36 -6.505 3.925 1.353 254 HB3 LEU 36 3HB LEU 36 -5.847 2.788 0.178 255 HG LEU 36 HG LEU 36 -4.794 5.459 1.023 256 HD11 LEU 36 1HD1 LEU 36 -2.957 4.304 1.690 257 HD12 LEU 36 2HD1 LEU 36 -3.121 3.086 0.425 258 HD13 LEU 36 3HD1 LEU 36 -4.153 3.019 1.853 259 HD21 LEU 36 1HD2 LEU 36 -4.660 5.851 -1.242 260 HD22 LEU 36 2HD2 LEU 36 -4.492 4.141 -1.639 261 HD23 LEU 36 3HD2 LEU 36 -3.132 5.022 -0.940 262 H GLY 37 HN GLY 37 -9.078 5.810 -0.432 263 HA2 GLY 37 1HA GLY 37 -11.215 5.490 0.402 264 HA3 GLY 37 2HA GLY 37 -11.224 4.218 -0.810 265 H SER 38 HN SER 38 -11.176 2.107 -0.184 266 HA SER 38 HA SER 38 -10.294 1.088 2.245 267 HB2 SER 38 2HB SER 38 -12.672 0.621 3.213 268 HB3 SER 38 3HB SER 38 -11.916 2.188 3.511 269 HG SER 38 HG SER 38 -13.265 3.127 2.110 270 H LEU 39 HN LEU 39 -10.097 0.204 -0.298 271 HA LEU 39 HA LEU 39 -10.930 -2.465 -0.131 272 HB2 LEU 39 2HB LEU 39 -13.138 -1.424 -0.603 273 HB3 LEU 39 3HB LEU 39 -12.491 -0.845 -2.137 274 HG LEU 39 HG LEU 39 -12.007 -3.552 -2.248 275 HD11 LEU 39 1HD1 LEU 39 -13.529 -4.745 -1.141 276 HD12 LEU 39 2HD1 LEU 39 -14.833 -3.636 -1.566 277 HD13 LEU 39 3HD1 LEU 39 -13.800 -3.293 -0.178 278 HD21 LEU 39 1HD2 LEU 39 -13.894 -1.631 -3.431 279 HD22 LEU 39 2HD2 LEU 39 -14.351 -3.329 -3.574 280 HD23 LEU 39 3HD2 LEU 39 -12.799 -2.776 -4.205 281 H ALA 40 HN ALA 40 -8.516 -1.399 -0.619 282 HA ALA 40 HA ALA 40 -8.034 -2.158 -3.418 283 HB1 ALA 40 1HB ALA 40 -6.307 -0.413 -3.591 284 HB2 ALA 40 2HB ALA 40 -7.919 0.259 -3.335 285 HB3 ALA 40 3HB ALA 40 -6.773 0.183 -1.997 286 H VAL 41 HN VAL 41 -6.894 -3.978 -3.344 287 HA VAL 41 HA VAL 41 -5.025 -4.435 -1.141 288 HB VAL 41 HB VAL 41 -5.779 -6.393 -3.305 289 HG11 VAL 41 1HG1 VAL 41 -3.895 -6.459 -1.223 290 HG12 VAL 41 2HG1 VAL 41 -5.220 -7.513 -0.726 291 HG13 VAL 41 3HG1 VAL 41 -4.401 -7.789 -2.264 292 HG21 VAL 41 1HG2 VAL 41 -7.858 -6.245 -2.455 293 HG22 VAL 41 2HG2 VAL 41 -7.188 -7.211 -1.140 294 HG23 VAL 41 3HG2 VAL 41 -7.310 -5.460 -0.974 295 H GLY 42 HN GLY 42 -2.945 -3.978 -1.399 296 HA2 GLY 42 1HA GLY 42 -1.711 -4.434 -4.027 297 HA3 GLY 42 2HA GLY 42 -1.521 -2.864 -3.261 298 H HIS 43 HN HIS 43 0.303 -5.255 -3.961 299 HA HIS 43 HA HIS 43 1.405 -5.852 -1.329 300 HB2 HIS 43 2HB HIS 43 2.881 -7.410 -2.528 301 HB3 HIS 43 3HB HIS 43 1.189 -7.698 -2.924 302 HD1 HIS 43 1HD HIS 43 4.394 -6.447 -4.401 303 HD2 HIS 43 2HD HIS 43 0.490 -7.233 -5.586 304 HE1 HIS 43 1HE HIS 43 4.421 -6.348 -6.914 305 H LEU 44 HN LEU 44 2.683 -4.329 -0.498 306 HA LEU 44 HA LEU 44 3.888 -2.200 -1.602 307 HB2 LEU 44 2HB LEU 44 4.065 -3.480 0.815 308 HB3 LEU 44 3HB LEU 44 5.721 -3.568 0.218 309 HG LEU 44 HG LEU 44 4.138 -1.219 1.108 310 HD11 LEU 44 1HD1 LEU 44 6.920 -2.275 1.413 311 HD12 LEU 44 2HD1 LEU 44 5.732 -1.880 2.654 312 HD13 LEU 44 3HD1 LEU 44 6.552 -0.589 1.775 313 HD21 LEU 44 1HD2 LEU 44 5.768 -1.284 -1.338 314 HD22 LEU 44 2HD2 LEU 44 6.164 0.009 -0.204 315 HD23 LEU 44 3HD2 LEU 44 4.522 -0.144 -0.829 316 H THR 45 HN THR 45 5.349 -1.808 -3.123 317 HA THR 45 HA THR 45 6.560 -3.800 -4.657 318 HB THR 45 HB THR 45 7.628 -2.111 -5.861 319 HG1 THR 45 1HG THR 45 8.584 -0.431 -4.940 320 HG21 THR 45 1HG2 THR 45 5.981 -0.500 -6.265 321 HG22 THR 45 2HG2 THR 45 5.476 -0.458 -4.576 322 HG23 THR 45 3HG2 THR 45 5.080 -1.852 -5.581 323 H LYS 46 HN LYS 46 7.647 -2.164 -1.774 324 HA LYS 46 HA LYS 46 10.373 -2.606 -1.847 325 HB2 LYS 46 2HB LYS 46 8.418 -1.934 0.133 326 HB3 LYS 46 3HB LYS 46 9.512 -3.135 0.806 327 HG2 LYS 46 2HG LYS 46 10.776 -1.365 1.321 328 HG3 LYS 46 3HG LYS 46 11.268 -1.438 -0.371 329 HD2 LYS 46 2HD LYS 46 10.420 0.588 -0.706 330 HD3 LYS 46 3HD LYS 46 8.824 0.000 -0.233 331 HE2 LYS 46 2HE LYS 46 9.051 1.575 1.374 332 HE3 LYS 46 3HE LYS 46 9.925 0.282 2.192 333 HZ1 LYS 46 1HZ LYS 46 11.943 1.283 0.941 334 HZ2 LYS 46 2HZ LYS 46 11.387 2.024 2.356 335 HZ3 LYS 46 3HZ LYS 46 10.981 2.672 0.847 336 H CYS 47 HN CYS 47 8.115 -4.688 -0.032 337 HA CYS 47 HA CYS 47 9.988 -6.911 -0.363 338 HB2 CYS 47 2HB CYS 47 8.512 -8.031 1.344 339 HB3 CYS 47 3HB CYS 47 9.317 -6.570 1.907 340 H SER 48 HN SER 48 6.656 -5.989 -1.043 341 HA SER 48 HA SER 48 5.289 -6.715 -2.747 342 HB2 SER 48 2HB SER 48 7.677 -7.644 -3.648 343 HB3 SER 48 3HB SER 48 6.822 -9.163 -3.383 344 HG SER 48 HG SER 48 6.565 -7.486 -5.411 345 H HIS 49 HN HIS 49 4.122 -7.135 -0.666 346 HA HIS 49 HA HIS 49 3.655 -10.023 -0.312 347 HB2 HIS 49 2HB HIS 49 3.479 -7.776 1.697 348 HB3 HIS 49 3HB HIS 49 2.837 -9.387 1.994 349 HD2 HIS 49 2HD HIS 49 6.153 -9.644 0.173 350 HE1 HIS 49 1HE HIS 49 7.028 -9.989 4.309 351 HE2 HIS 49 2HE HIS 49 7.942 -10.163 1.969 352 H ALA 50 HN ALA 50 1.633 -7.724 1.264 353 HA ALA 50 HA ALA 50 -0.294 -6.975 -0.444 354 HB1 ALA 50 1HB ALA 50 -1.957 -8.981 -0.173 355 HB2 ALA 50 2HB ALA 50 -0.752 -8.980 -1.462 356 HB3 ALA 50 3HB ALA 50 -0.471 -9.916 0.007 357 H PHE 51 HN PHE 51 -1.796 -5.868 0.664 358 HA PHE 51 HA PHE 51 -3.043 -6.704 3.035 359 HB2 PHE 51 2HB PHE 51 -1.657 -4.510 4.133 360 HB3 PHE 51 3HB PHE 51 -1.549 -6.199 4.619 361 HD1 PHE 51 1HD PHE 51 0.471 -7.308 4.463 362 HD2 PHE 51 2HD PHE 51 -0.153 -3.787 2.154 363 HE1 PHE 51 1HE PHE 51 2.825 -7.363 3.749 364 HE2 PHE 51 2HE PHE 51 2.200 -3.837 1.436 365 HZ PHE 51 HZ PHE 51 3.692 -5.627 2.232 366 H HIS 52 HN HIS 52 -4.632 -5.253 3.740 367 HA HIS 52 HA HIS 52 -5.843 -3.653 1.870 368 HB2 HIS 52 2HB HIS 52 -5.954 -3.421 4.883 369 HB3 HIS 52 3HB HIS 52 -7.061 -2.600 3.786 370 HD2 HIS 52 2HD HIS 52 -7.652 -5.225 1.827 371 HE1 HIS 52 1HE HIS 52 -9.053 -6.964 5.436 372 HE2 HIS 52 2HE HIS 52 -8.994 -7.146 2.924 373 H LEU 53 HN LEU 53 -4.661 -2.158 0.789 374 HA LEU 53 HA LEU 53 -2.627 -0.572 1.481 375 HB2 LEU 53 2HB LEU 53 -5.008 -0.069 -0.226 376 HB3 LEU 53 3HB LEU 53 -3.921 1.279 0.105 377 HG LEU 53 HG LEU 53 -3.110 -1.332 -1.176 378 HD11 LEU 53 1HD1 LEU 53 -4.634 0.106 -2.545 379 HD12 LEU 53 2HD1 LEU 53 -3.040 -0.168 -3.250 380 HD13 LEU 53 3HD1 LEU 53 -3.406 1.371 -2.468 381 HD21 LEU 53 1HD2 LEU 53 -1.073 0.068 -1.760 382 HD22 LEU 53 2HD2 LEU 53 -1.222 -0.451 -0.081 383 HD23 LEU 53 3HD2 LEU 53 -1.632 1.204 -0.533 384 H LEU 54 HN LEU 54 -5.991 0.550 1.890 385 HA LEU 54 HA LEU 54 -5.609 2.874 3.225 386 HB2 LEU 54 2HB LEU 54 -7.820 2.360 2.803 387 HB3 LEU 54 3HB LEU 54 -7.682 0.744 3.491 388 HG LEU 54 HG LEU 54 -8.048 1.478 5.639 389 HD11 LEU 54 1HD1 LEU 54 -6.586 3.835 4.734 390 HD12 LEU 54 2HD1 LEU 54 -6.649 3.077 6.326 391 HD13 LEU 54 3HD1 LEU 54 -7.913 4.206 5.837 392 HD21 LEU 54 1HD2 LEU 54 -9.797 2.377 3.692 393 HD22 LEU 54 2HD2 LEU 54 -9.561 3.780 4.735 394 HD23 LEU 54 3HD2 LEU 54 -10.123 2.255 5.421 395 H CYS 55 HN CYS 55 -5.983 -0.266 4.883 396 HA CYS 55 HA CYS 55 -5.552 0.449 7.465 397 HB2 CYS 55 2HB CYS 55 -4.578 -1.985 5.974 398 HB3 CYS 55 3HB CYS 55 -4.387 -1.809 7.715 399 H LEU 56 HN LEU 56 -2.910 -0.588 5.299 400 HA LEU 56 HA LEU 56 -0.757 -0.080 6.889 401 HB2 LEU 56 2HB LEU 56 -1.000 0.478 3.937 402 HB3 LEU 56 3HB LEU 56 0.521 0.370 4.821 403 HG LEU 56 HG LEU 56 -0.307 -2.024 5.421 404 HD11 LEU 56 1HD1 LEU 56 -2.217 -1.149 3.348 405 HD12 LEU 56 2HD1 LEU 56 -2.403 -2.334 4.639 406 HD13 LEU 56 3HD1 LEU 56 -1.541 -2.767 3.164 407 HD21 LEU 56 1HD2 LEU 56 1.174 -2.765 3.893 408 HD22 LEU 56 2HD2 LEU 56 1.476 -1.045 3.652 409 HD23 LEU 56 3HD2 LEU 56 0.394 -1.912 2.562 410 H LEU 57 HN LEU 57 -2.119 2.280 4.583 411 HA LEU 57 HA LEU 57 -0.618 4.470 5.078 412 HB2 LEU 57 2HB LEU 57 -2.882 4.061 3.723 413 HB3 LEU 57 3HB LEU 57 -3.541 4.950 5.094 414 HG LEU 57 HG LEU 57 -2.192 6.865 4.580 415 HD11 LEU 57 1HD1 LEU 57 -0.196 6.566 3.656 416 HD12 LEU 57 2HD1 LEU 57 -1.014 6.318 2.113 417 HD13 LEU 57 3HD1 LEU 57 -0.617 4.935 3.133 418 HD21 LEU 57 1HD2 LEU 57 -4.241 5.929 2.999 419 HD22 LEU 57 2HD2 LEU 57 -2.993 6.359 1.828 420 HD23 LEU 57 3HD2 LEU 57 -3.579 7.564 2.977 421 H ALA 58 HN ALA 58 -2.786 2.952 7.294 422 HA ALA 58 HA ALA 58 -3.130 5.142 9.077 423 HB1 ALA 58 1HB ALA 58 -4.316 3.702 10.403 424 HB2 ALA 58 2HB ALA 58 -4.436 2.872 8.851 425 HB3 ALA 58 3HB ALA 58 -3.261 2.333 10.051 426 H MET 59 HN MET 59 -1.299 2.122 9.606 427 HA MET 59 HA MET 59 0.276 3.338 11.672 428 HB2 MET 59 2HB MET 59 1.545 1.110 11.497 429 HB3 MET 59 3HB MET 59 -0.134 1.059 12.020 430 HG2 MET 59 2HG MET 59 -0.733 -0.201 10.295 431 HG3 MET 59 3HG MET 59 0.111 0.834 9.146 432 HE1 MET 59 1HE MET 59 2.547 -1.576 7.834 433 HE2 MET 59 2HE MET 59 0.953 -0.876 7.554 434 HE3 MET 59 3HE MET 59 2.315 0.169 7.961 435 H TYR 60 HN TYR 60 0.426 3.429 8.346 436 HA TYR 60 HA TYR 60 3.180 3.200 7.829 437 HB2 TYR 60 2HB TYR 60 2.318 3.357 5.771 438 HB3 TYR 60 3HB TYR 60 0.813 4.023 6.397 439 HD1 TYR 60 1HD TYR 60 0.208 6.154 5.745 440 HD2 TYR 60 2HD TYR 60 4.324 5.083 5.678 441 HE1 TYR 60 1HE TYR 60 0.752 8.335 4.747 442 HE2 TYR 60 2HE TYR 60 4.881 7.261 4.682 443 HH TYR 60 HH TYR 60 3.406 9.765 4.789 444 H CYS 61 HN CYS 61 1.368 5.629 9.414 445 HA CYS 61 HA CYS 61 3.009 7.872 8.880 446 HB2 CYS 61 2HB CYS 61 0.665 7.336 10.367 447 HB3 CYS 61 3HB CYS 61 1.823 8.035 11.493 448 HG CYS 61 HG CYS 61 0.062 10.006 10.438 449 H ASN 62 HN ASN 62 3.644 5.066 10.575 450 HA ASN 62 HA ASN 62 5.441 6.300 12.507 451 HB2 ASN 62 2HB ASN 62 3.891 4.100 12.712 452 HB3 ASN 62 3HB ASN 62 5.400 3.354 12.194 453 HD21 ASN 62 1HD2 ASN 62 3.949 5.448 14.615 454 HD22 ASN 62 2HD2 ASN 62 5.092 5.102 15.865 455 H GLY 63 HN GLY 63 5.677 3.832 9.937 456 HA2 GLY 63 1HA GLY 63 8.505 4.626 9.606 457 HA3 GLY 63 2HA GLY 63 7.938 2.975 9.402 458 H ASN 64 HN ASN 64 9.116 3.311 7.313 459 HA ASN 64 HA ASN 64 9.218 3.942 5.092 460 HB2 ASN 64 2HB ASN 64 6.551 2.659 5.575 461 HB3 ASN 64 3HB ASN 64 6.969 3.225 3.961 462 HD21 ASN 64 1HD2 ASN 64 7.006 1.171 3.098 463 HD22 ASN 64 2HD2 ASN 64 8.256 0.034 3.455 464 H LYS 65 HN LYS 65 9.017 6.266 6.303 465 HA LYS 65 HA LYS 65 6.686 7.724 5.358 466 HB2 LYS 65 2HB LYS 65 8.805 8.159 7.327 467 HB3 LYS 65 3HB LYS 65 8.436 9.596 6.381 468 HG2 LYS 65 2HG LYS 65 6.934 9.886 8.046 469 HG3 LYS 65 3HG LYS 65 5.950 8.879 6.981 470 HD2 LYS 65 2HD LYS 65 5.674 7.811 9.005 471 HD3 LYS 65 3HD LYS 65 7.031 6.913 8.320 472 HE2 LYS 65 2HE LYS 65 7.712 9.304 9.914 473 HE3 LYS 65 3HE LYS 65 7.025 7.947 10.805 474 HZ1 LYS 65 1HZ LYS 65 8.750 6.534 9.715 475 HZ2 LYS 65 2HZ LYS 65 9.363 7.681 10.797 476 HZ3 LYS 65 3HZ LYS 65 9.472 7.947 9.131 477 H ASP 66 HN ASP 66 6.711 8.113 3.225 478 HA ASP 66 HA ASP 66 8.767 9.834 2.165 479 HB2 ASP 66 2HB ASP 66 9.221 7.152 1.850 480 HB3 ASP 66 3HB ASP 66 8.355 7.544 0.366 481 H GLY 67 HN GLY 67 5.983 7.773 1.353 482 HA2 GLY 67 1HA GLY 67 4.193 9.698 0.654 483 HA3 GLY 67 2HA GLY 67 5.160 9.500 -0.800 484 H SER 68 HN SER 68 4.419 6.891 1.422 485 HA SER 68 HA SER 68 2.291 5.874 -0.262 486 HB2 SER 68 2HB SER 68 3.486 3.657 -0.537 487 HB3 SER 68 3HB SER 68 4.138 4.987 -1.494 488 HG SER 68 HG SER 68 5.641 3.578 -0.202 489 H LEU 69 HN LEU 69 4.279 3.725 1.597 490 HA LEU 69 HA LEU 69 3.183 3.993 4.135 491 HB2 LEU 69 2HB LEU 69 1.576 2.091 4.131 492 HB3 LEU 69 3HB LEU 69 1.035 3.514 3.242 493 HG LEU 69 HG LEU 69 0.743 1.038 2.312 494 HD11 LEU 69 1HD1 LEU 69 1.552 3.263 0.461 495 HD12 LEU 69 2HD1 LEU 69 0.022 3.257 1.339 496 HD13 LEU 69 3HD1 LEU 69 0.378 1.975 0.181 497 HD21 LEU 69 1HD2 LEU 69 2.491 0.548 0.662 498 HD22 LEU 69 2HD2 LEU 69 3.114 0.511 2.311 499 HD23 LEU 69 3HD2 LEU 69 3.441 1.901 1.275 500 H GLN 70 HN GLN 70 3.299 1.793 5.375 501 HA GLN 70 HA GLN 70 5.721 0.412 4.429 502 HB2 GLN 70 2HB GLN 70 6.579 0.856 6.438 503 HB3 GLN 70 3HB GLN 70 5.078 1.629 6.929 504 HG2 GLN 70 2HG GLN 70 4.202 -0.457 7.731 505 HG3 GLN 70 3HG GLN 70 5.601 -1.328 7.105 506 HE21 GLN 70 1HE2 GLN 70 4.544 -1.136 9.830 507 HE22 GLN 70 2HE2 GLN 70 5.845 -0.541 10.799 508 H CYS 71 HN CYS 71 5.927 -1.865 4.945 509 HA CYS 71 HA CYS 71 3.422 -3.259 4.525 510 HB2 CYS 71 2HB CYS 71 5.174 -4.063 3.167 511 HB3 CYS 71 3HB CYS 71 6.314 -4.095 4.510 512 HA PRO 72 HA PRO 72 3.014 -3.950 8.927 513 HB2 PRO 72 2HB PRO 72 0.623 -5.224 8.757 514 HB3 PRO 72 3HB PRO 72 0.784 -3.467 8.651 515 HG2 PRO 72 2HG PRO 72 0.487 -5.478 6.453 516 HG3 PRO 72 3HG PRO 72 -0.295 -3.897 6.637 517 HD2 PRO 72 2HD PRO 72 1.837 -4.287 5.015 518 HD3 PRO 72 3HD PRO 72 1.549 -2.753 5.862 519 H SER 73 HN SER 73 2.830 -6.342 6.374 520 HA SER 73 HA SER 73 2.677 -8.675 7.893 521 HB2 SER 73 2HB SER 73 2.495 -8.475 5.374 522 HB3 SER 73 3HB SER 73 4.257 -8.390 5.332 523 HG SER 73 HG SER 73 2.657 -10.548 5.586 524 H CYS 74 HN CYS 74 5.664 -7.572 6.302 525 HA CYS 74 HA CYS 74 7.173 -8.671 8.576 526 HB2 CYS 74 2HB CYS 74 9.033 -8.973 7.078 527 HB3 CYS 74 3HB CYS 74 7.602 -9.665 6.321 528 H LYS 75 HN LYS 75 5.945 -6.037 8.549 529 HA LYS 75 HA LYS 75 6.418 -3.838 8.947 530 HB2 LYS 75 2HB LYS 75 8.885 -5.153 10.095 531 HB3 LYS 75 3HB LYS 75 8.439 -3.475 10.375 532 HG2 LYS 75 2HG LYS 75 6.729 -5.837 11.121 533 HG3 LYS 75 3HG LYS 75 7.819 -4.994 12.224 534 HD2 LYS 75 2HD LYS 75 6.553 -2.887 11.709 535 HD3 LYS 75 3HD LYS 75 5.386 -3.882 10.834 536 HE2 LYS 75 2HE LYS 75 5.878 -5.009 13.423 537 HE3 LYS 75 3HE LYS 75 5.455 -3.306 13.589 538 HZ1 LYS 75 1HZ LYS 75 3.861 -5.173 11.935 539 HZ2 LYS 75 2HZ LYS 75 3.417 -3.646 12.510 540 HZ3 LYS 75 3HZ LYS 75 3.557 -4.946 13.583 541 H THR 76 HN THR 76 7.184 -4.812 6.338 542 HA THR 76 HA THR 76 9.706 -3.517 5.716 543 HB THR 76 HB THR 76 7.864 -5.336 4.307 544 HG1 THR 76 1HG THR 76 10.254 -5.568 3.364 545 HG21 THR 76 1HG2 THR 76 8.934 -4.614 2.085 546 HG22 THR 76 2HG2 THR 76 9.259 -3.081 2.894 547 HG23 THR 76 3HG2 THR 76 7.599 -3.644 2.706 Start of MODEL 2 1 H1 ASN 1 HN ASN 1 2.871 6.231 -5.368 2 HA ASN 1 HA ASN 1 3.565 4.684 -3.792 3 HB2 ASN 1 2HB ASN 1 1.654 2.790 -5.091 4 HB3 ASN 1 3HB ASN 1 1.824 3.220 -3.391 5 HD21 ASN 1 1HD2 ASN 1 -0.517 3.142 -5.208 6 HD22 ASN 1 2HD2 ASN 1 -1.233 4.710 -5.087 7 H TYR 2 HN TYR 2 4.061 2.236 -3.439 8 HA TYR 2 HA TYR 2 5.828 1.393 -5.639 9 HB2 TYR 2 2HB TYR 2 6.433 0.095 -3.142 10 HB3 TYR 2 3HB TYR 2 7.459 1.126 -4.132 11 HD1 TYR 2 1HD TYR 2 7.314 3.635 -3.812 12 HD2 TYR 2 2HD TYR 2 5.551 0.869 -1.102 13 HE1 TYR 2 1HE TYR 2 7.215 5.392 -2.093 14 HE2 TYR 2 2HE TYR 2 5.447 2.618 0.625 15 HH TYR 2 HH TYR 2 5.916 4.721 1.145 16 H THR 3 HN THR 3 2.942 0.680 -4.240 17 HA THR 3 HA THR 3 3.212 -2.216 -4.695 18 HB THR 3 HB THR 3 1.764 -2.622 -3.019 19 HG1 THR 3 1HG THR 3 0.240 -0.288 -3.195 20 HG21 THR 3 1HG2 THR 3 1.822 -1.027 -1.220 21 HG22 THR 3 2HG2 THR 3 2.180 0.289 -2.337 22 HG23 THR 3 3HG2 THR 3 3.374 -0.977 -2.054 23 H GLU 4 HN GLU 4 2.429 -2.966 -6.543 24 HA GLU 4 HA GLU 4 0.656 -1.341 -8.155 25 HB2 GLU 4 2HB GLU 4 2.177 -2.323 -9.557 26 HB3 GLU 4 3HB GLU 4 2.304 -3.778 -8.579 27 HG2 GLU 4 2HG GLU 4 0.425 -4.739 -9.527 28 HG3 GLU 4 3HG GLU 4 -0.202 -3.192 -10.094 29 H GLU 5 HN GLU 5 -1.434 -1.359 -7.622 30 HA GLU 5 HA GLU 5 -2.913 -2.987 -6.114 31 HB2 GLU 5 2HB GLU 5 -3.562 -0.965 -7.722 32 HB3 GLU 5 3HB GLU 5 -4.182 -2.278 -8.713 33 HG2 GLU 5 2HG GLU 5 -5.564 -3.034 -6.841 34 HG3 GLU 5 3HG GLU 5 -4.956 -1.700 -5.863 35 H LEU 6 HN LEU 6 -3.706 -5.009 -6.104 36 HA LEU 6 HA LEU 6 -2.846 -6.815 -8.201 37 HB2 LEU 6 2HB LEU 6 -4.545 -7.878 -6.062 38 HB3 LEU 6 3HB LEU 6 -2.990 -8.448 -6.667 39 HG LEU 6 HG LEU 6 -3.428 -6.226 -4.673 40 HD11 LEU 6 1HD1 LEU 6 -3.089 -7.711 -3.041 41 HD12 LEU 6 2HD1 LEU 6 -1.813 -8.540 -3.932 42 HD13 LEU 6 3HD1 LEU 6 -3.504 -8.927 -4.250 43 HD21 LEU 6 1HD2 LEU 6 -1.414 -6.240 -6.413 44 HD22 LEU 6 2HD2 LEU 6 -0.747 -7.361 -5.225 45 HD23 LEU 6 3HD2 LEU 6 -1.212 -5.731 -4.736 46 H LYS 7 HN LYS 7 -4.080 -6.720 -9.986 47 HA LYS 7 HA LYS 7 -6.621 -5.977 -10.410 48 HB2 LYS 7 2HB LYS 7 -5.148 -8.308 -11.628 49 HB3 LYS 7 3HB LYS 7 -6.725 -7.787 -12.206 50 HG2 LYS 7 2HG LYS 7 -5.036 -5.508 -12.049 51 HG3 LYS 7 3HG LYS 7 -4.173 -6.791 -12.903 52 HD2 LYS 7 2HD LYS 7 -5.302 -5.886 -14.663 53 HD3 LYS 7 3HD LYS 7 -6.524 -7.035 -14.116 54 HE2 LYS 7 2HE LYS 7 -6.921 -4.720 -12.593 55 HE3 LYS 7 3HE LYS 7 -6.635 -4.160 -14.239 56 HZ1 LYS 7 1HZ LYS 7 -8.332 -5.940 -14.880 57 HZ2 LYS 7 2HZ LYS 7 -8.909 -4.523 -14.157 58 HZ3 LYS 7 3HZ LYS 7 -8.768 -5.940 -13.244 59 H VAL 8 HN VAL 8 -5.628 -8.874 -8.765 60 HA VAL 8 HA VAL 8 -8.444 -9.436 -8.150 61 HB VAL 8 HB VAL 8 -6.568 -11.206 -9.530 62 HG11 VAL 8 1HG1 VAL 8 -6.313 -12.218 -7.361 63 HG12 VAL 8 2HG1 VAL 8 -8.060 -12.225 -7.115 64 HG13 VAL 8 3HG1 VAL 8 -7.339 -13.250 -8.356 65 HG21 VAL 8 1HG2 VAL 8 -8.903 -10.434 -10.215 66 HG22 VAL 8 2HG2 VAL 8 -8.530 -12.147 -10.414 67 HG23 VAL 8 3HG2 VAL 8 -9.506 -11.610 -9.045 68 HA PRO 9 HA PRO 9 -7.010 -9.576 -3.989 69 HB2 PRO 9 2HB PRO 9 -9.026 -11.022 -2.887 70 HB3 PRO 9 3HB PRO 9 -9.213 -9.336 -3.382 71 HG2 PRO 9 2HG PRO 9 -10.019 -11.833 -4.822 72 HG3 PRO 9 3HG PRO 9 -10.914 -10.315 -4.627 73 HD2 PRO 9 2HD PRO 9 -9.566 -10.929 -6.893 74 HD3 PRO 9 3HD PRO 9 -9.745 -9.262 -6.312 75 HA PRO 10 HA PRO 10 -4.786 -13.399 -3.709 76 HB2 PRO 10 2HB PRO 10 -3.788 -13.041 -1.210 77 HB3 PRO 10 3HB PRO 10 -3.161 -12.188 -2.625 78 HG2 PRO 10 2HG PRO 10 -5.082 -11.236 -0.535 79 HG3 PRO 10 3HG PRO 10 -3.716 -10.379 -1.274 80 HD2 PRO 10 2HD PRO 10 -6.280 -9.966 -2.040 81 HD3 PRO 10 3HD PRO 10 -4.914 -9.840 -3.167 82 H ASP 11 HN ASP 11 -6.986 -12.357 -1.147 83 HA ASP 11 HA ASP 11 -8.633 -13.569 -0.088 84 HB2 ASP 11 2HB ASP 11 -8.103 -15.220 -2.188 85 HB3 ASP 11 3HB ASP 11 -7.636 -16.243 -0.832 86 H GLU 12 HN GLU 12 -5.556 -13.306 0.531 87 HA GLU 12 HA GLU 12 -4.979 -15.368 2.389 88 HB2 GLU 12 2HB GLU 12 -3.812 -12.692 1.757 89 HB3 GLU 12 3HB GLU 12 -3.339 -13.487 3.253 90 HG2 GLU 12 2HG GLU 12 -3.226 -15.244 0.934 91 HG3 GLU 12 3HG GLU 12 -2.170 -13.839 0.802 92 H ASP 13 HN ASP 13 -4.817 -12.092 3.561 93 HA ASP 13 HA ASP 13 -7.060 -11.673 4.988 94 HB2 ASP 13 2HB ASP 13 -7.201 -13.628 6.186 95 HB3 ASP 13 3HB ASP 13 -5.455 -13.857 6.224 96 H CYS 14 HN CYS 14 -6.724 -9.610 5.447 97 HA CYS 14 HA CYS 14 -4.439 -8.190 5.510 98 HB2 CYS 14 2HB CYS 14 -6.747 -7.255 5.729 99 HB3 CYS 14 3HB CYS 14 -6.719 -7.696 7.433 100 H ILE 15 HN ILE 15 -2.864 -7.583 6.970 101 HA ILE 15 HA ILE 15 -2.558 -9.378 9.267 102 HB ILE 15 HB ILE 15 -0.224 -7.854 9.002 103 HG12 ILE 15 2HG1 ILE 15 -1.272 -8.771 6.316 104 HG13 ILE 15 3HG1 ILE 15 -0.930 -7.113 6.796 105 HG21 ILE 15 1HG2 ILE 15 -0.760 -10.371 9.489 106 HG22 ILE 15 2HG2 ILE 15 -0.460 -10.553 7.761 107 HG23 ILE 15 3HG2 ILE 15 0.798 -9.901 8.811 108 HD11 ILE 15 1HD1 ILE 15 1.195 -9.226 6.751 109 HD12 ILE 15 2HD1 ILE 15 0.775 -8.273 5.327 110 HD13 ILE 15 3HD1 ILE 15 1.383 -7.473 6.776 111 H ILE 16 HN ILE 16 -3.391 -6.189 8.511 112 HA ILE 16 HA ILE 16 -2.415 -5.019 10.974 113 HB ILE 16 HB ILE 16 -4.115 -3.931 8.736 114 HG12 ILE 16 2HG1 ILE 16 -1.408 -3.010 9.696 115 HG13 ILE 16 3HG1 ILE 16 -1.595 -4.272 8.485 116 HG21 ILE 16 1HG2 ILE 16 -3.358 -1.765 10.244 117 HG22 ILE 16 2HG2 ILE 16 -4.961 -2.494 10.220 118 HG23 ILE 16 3HG2 ILE 16 -3.800 -2.959 11.463 119 HD11 ILE 16 1HD1 ILE 16 -2.877 -2.653 7.099 120 HD12 ILE 16 2HD1 ILE 16 -2.469 -1.404 8.277 121 HD13 ILE 16 3HD1 ILE 16 -1.191 -2.211 7.368 122 H CYS 17 HN CYS 17 -5.688 -4.989 9.570 123 HA CYS 17 HA CYS 17 -6.868 -4.878 12.195 124 HB2 CYS 17 2HB CYS 17 -8.974 -4.649 11.053 125 HB3 CYS 17 3HB CYS 17 -7.788 -3.650 10.218 126 H MET 18 HN MET 18 -5.527 -7.349 10.622 127 HA MET 18 HA MET 18 -5.705 -9.617 10.680 128 HB2 MET 18 2HB MET 18 -6.602 -8.627 13.229 129 HB3 MET 18 3HB MET 18 -7.486 -10.090 12.813 130 HG2 MET 18 2HG MET 18 -4.585 -10.208 12.369 131 HG3 MET 18 3HG MET 18 -5.089 -10.047 14.050 132 HE1 MET 18 1HE MET 18 -3.607 -13.103 12.992 133 HE2 MET 18 2HE MET 18 -4.654 -13.665 11.689 134 HE3 MET 18 3HE MET 18 -3.935 -12.056 11.610 135 H GLU 19 HN GLU 19 -7.740 -8.009 9.218 136 HA GLU 19 HA GLU 19 -10.008 -9.876 9.273 137 HB2 GLU 19 2HB GLU 19 -10.265 -7.295 9.480 138 HB3 GLU 19 3HB GLU 19 -9.989 -7.295 7.744 139 HG2 GLU 19 2HG GLU 19 -12.372 -7.272 8.333 140 HG3 GLU 19 3HG GLU 19 -11.917 -8.688 7.387 141 H LYS 20 HN LYS 20 -10.968 -10.452 7.168 142 HA LYS 20 HA LYS 20 -9.104 -11.645 5.463 143 HB2 LYS 20 2HB LYS 20 -11.972 -10.927 4.826 144 HB3 LYS 20 3HB LYS 20 -10.993 -12.131 3.997 145 HG2 LYS 20 2HG LYS 20 -12.187 -12.233 6.735 146 HG3 LYS 20 3HG LYS 20 -12.321 -13.394 5.412 147 HD2 LYS 20 2HD LYS 20 -9.821 -13.774 5.703 148 HD3 LYS 20 3HD LYS 20 -9.970 -12.883 7.220 149 HE2 LYS 20 2HE LYS 20 -10.816 -14.660 8.261 150 HE3 LYS 20 3HE LYS 20 -12.021 -14.901 6.997 151 HZ1 LYS 20 1HZ LYS 20 -10.705 -16.836 7.053 152 HZ2 LYS 20 2HZ LYS 20 -9.257 -15.963 7.092 153 HZ3 LYS 20 3HZ LYS 20 -10.194 -15.984 5.684 154 H LEU 21 HN LEU 21 -8.314 -11.128 3.441 155 HA LEU 21 HA LEU 21 -8.105 -8.315 2.869 156 HB2 LEU 21 2HB LEU 21 -6.833 -10.807 1.920 157 HB3 LEU 21 3HB LEU 21 -6.886 -9.470 0.773 158 HG LEU 21 HG LEU 21 -5.633 -9.381 3.517 159 HD11 LEU 21 1HD1 LEU 21 -4.449 -10.798 1.842 160 HD12 LEU 21 2HD1 LEU 21 -3.521 -9.407 2.403 161 HD13 LEU 21 3HD1 LEU 21 -4.295 -9.369 0.819 162 HD21 LEU 21 1HD2 LEU 21 -6.501 -7.313 1.744 163 HD22 LEU 21 2HD2 LEU 21 -4.739 -7.296 1.846 164 HD23 LEU 21 3HD2 LEU 21 -5.709 -7.173 3.315 165 H SER 22 HN SER 22 -10.619 -10.126 2.427 166 HA SER 22 HA SER 22 -11.116 -9.433 -0.381 167 HB2 SER 22 2HB SER 22 -13.291 -10.890 0.774 168 HB3 SER 22 3HB SER 22 -12.175 -11.402 -0.492 169 HG SER 22 HG SER 22 -12.328 -12.559 1.712 170 H THR 23 HN THR 23 -12.601 -9.183 2.836 171 HA THR 23 HA THR 23 -14.839 -7.678 2.118 172 HB THR 23 HB THR 23 -15.027 -8.424 4.278 173 HG1 THR 23 1HG THR 23 -15.580 -6.368 4.661 174 HG21 THR 23 1HG2 THR 23 -12.116 -8.056 4.318 175 HG22 THR 23 2HG2 THR 23 -13.113 -9.297 5.078 176 HG23 THR 23 3HG2 THR 23 -12.911 -7.728 5.858 177 H ALA 24 HN ALA 24 -12.542 -6.089 4.225 178 HA ALA 24 HA ALA 24 -11.502 -4.201 2.440 179 HB1 ALA 24 1HB ALA 24 -14.223 -3.672 3.329 180 HB2 ALA 24 2HB ALA 24 -13.111 -2.351 3.687 181 HB3 ALA 24 3HB ALA 24 -13.289 -2.928 2.030 182 H SER 25 HN SER 25 -10.539 -2.300 3.590 183 HA SER 25 HA SER 25 -9.026 -3.104 5.772 184 HB2 SER 25 2HB SER 25 -7.951 -1.247 5.125 185 HB3 SER 25 3HB SER 25 -9.361 -0.701 4.217 186 HG SER 25 HG SER 25 -8.964 -0.341 7.006 187 H GLY 26 HN GLY 26 -9.737 -3.645 7.725 188 HA2 GLY 26 1HA GLY 26 -12.214 -2.912 8.817 189 HA3 GLY 26 2HA GLY 26 -10.865 -3.584 9.722 190 H TYR 27 HN TYR 27 -9.221 -1.208 8.739 191 HA TYR 27 HA TYR 27 -9.668 0.423 11.035 192 HB2 TYR 27 2HB TYR 27 -7.770 0.483 8.723 193 HB3 TYR 27 3HB TYR 27 -7.926 1.910 9.740 194 HD1 TYR 27 1HD TYR 27 -5.858 1.967 10.847 195 HD2 TYR 27 2HD TYR 27 -8.097 -1.650 10.788 196 HE1 TYR 27 1HE TYR 27 -4.297 0.981 12.472 197 HE2 TYR 27 2HE TYR 27 -6.543 -2.647 12.413 198 HH TYR 27 HH TYR 27 -4.929 -2.062 14.015 199 H SER 28 HN SER 28 -10.797 0.469 7.789 200 HA SER 28 HA SER 28 -11.247 3.022 7.086 201 HB2 SER 28 2HB SER 28 -12.999 2.289 5.762 202 HB3 SER 28 3HB SER 28 -12.186 0.762 6.108 203 HG SER 28 HG SER 28 -14.512 0.766 6.432 204 H ASP 29 HN ASP 29 -12.663 1.402 9.814 205 HA ASP 29 HA ASP 29 -14.879 2.866 10.424 206 HB2 ASP 29 2HB ASP 29 -12.967 1.286 11.905 207 HB3 ASP 29 3HB ASP 29 -13.518 2.651 12.872 208 H VAL 30 HN VAL 30 -11.649 3.692 11.701 209 HA VAL 30 HA VAL 30 -12.533 6.495 11.865 210 HB VAL 30 HB VAL 30 -10.870 6.847 13.568 211 HG11 VAL 30 1HG1 VAL 30 -13.129 5.545 13.985 212 HG12 VAL 30 2HG1 VAL 30 -12.020 4.255 14.458 213 HG13 VAL 30 3HG1 VAL 30 -11.967 5.813 15.283 214 HG21 VAL 30 1HG2 VAL 30 -8.985 5.649 13.247 215 HG22 VAL 30 2HG2 VAL 30 -9.770 4.510 14.342 216 HG23 VAL 30 3HG2 VAL 30 -9.852 4.256 12.599 217 H THR 31 HN THR 31 -10.680 4.451 10.019 218 HA THR 31 HA THR 31 -8.879 6.632 9.190 219 HB THR 31 HB THR 31 -8.290 3.799 8.454 220 HG1 THR 31 1HG THR 31 -8.616 3.605 10.665 221 HG21 THR 31 1HG2 THR 31 -6.430 4.779 7.720 222 HG22 THR 31 2HG2 THR 31 -6.042 5.256 9.372 223 HG23 THR 31 3HG2 THR 31 -6.983 6.333 8.340 224 H ASP 32 HN ASP 32 -11.022 7.151 8.005 225 HA ASP 32 HA ASP 32 -11.318 5.593 5.547 226 HB2 ASP 32 2HB ASP 32 -13.368 6.842 5.192 227 HB3 ASP 32 3HB ASP 32 -13.349 6.208 6.835 228 H SER 33 HN SER 33 -9.031 6.524 5.128 229 HA SER 33 HA SER 33 -8.524 9.159 4.503 230 HB2 SER 33 2HB SER 33 -6.547 8.343 3.810 231 HB3 SER 33 3HB SER 33 -7.177 6.744 4.203 232 HG SER 33 HG SER 33 -7.999 6.684 2.023 233 H LYS 34 HN LYS 34 -8.378 10.253 2.434 234 HA LYS 34 HA LYS 34 -10.587 9.487 0.644 235 HB2 LYS 34 2HB LYS 34 -10.731 11.862 0.039 236 HB3 LYS 34 3HB LYS 34 -10.943 11.624 1.769 237 HG2 LYS 34 2HG LYS 34 -8.210 12.038 1.431 238 HG3 LYS 34 3HG LYS 34 -8.993 13.201 0.359 239 HD2 LYS 34 2HD LYS 34 -10.404 13.933 2.260 240 HD3 LYS 34 3HD LYS 34 -9.503 12.839 3.312 241 HE2 LYS 34 2HE LYS 34 -8.077 14.510 3.663 242 HE3 LYS 34 3HE LYS 34 -7.549 14.311 1.993 243 HZ1 LYS 34 1HZ LYS 34 -8.146 16.476 1.918 244 HZ2 LYS 34 2HZ LYS 34 -9.281 16.342 3.164 245 HZ3 LYS 34 3HZ LYS 34 -9.673 15.820 1.604 246 H ALA 35 HN ALA 35 -7.924 8.409 0.440 247 HA ALA 35 HA ALA 35 -7.265 9.383 -2.253 248 HB1 ALA 35 1HB ALA 35 -5.668 10.235 -0.464 249 HB2 ALA 35 2HB ALA 35 -5.124 8.564 -0.311 250 HB3 ALA 35 3HB ALA 35 -4.951 9.411 -1.849 251 H LEU 36 HN LEU 36 -6.977 6.775 0.123 252 HA LEU 36 HA LEU 36 -6.339 4.853 -1.970 253 HB2 LEU 36 2HB LEU 36 -6.591 4.603 1.021 254 HB3 LEU 36 3HB LEU 36 -6.257 3.242 -0.048 255 HG LEU 36 HG LEU 36 -4.489 5.649 0.389 256 HD11 LEU 36 1HD1 LEU 36 -4.212 4.338 2.275 257 HD12 LEU 36 2HD1 LEU 36 -2.954 3.733 1.198 258 HD13 LEU 36 3HD1 LEU 36 -4.457 2.831 1.390 259 HD21 LEU 36 1HD2 LEU 36 -2.864 4.330 -0.978 260 HD22 LEU 36 2HD2 LEU 36 -4.248 4.948 -1.881 261 HD23 LEU 36 3HD2 LEU 36 -4.189 3.249 -1.408 262 H GLY 37 HN GLY 37 -8.521 4.456 0.802 263 HA2 GLY 37 1HA GLY 37 -10.898 4.236 0.639 264 HA3 GLY 37 2HA GLY 37 -10.709 3.827 -1.059 265 H SER 38 HN SER 38 -10.914 2.640 2.143 266 HA SER 38 HA SER 38 -9.753 0.208 2.201 267 HB2 SER 38 2HB SER 38 -11.897 -0.586 3.412 268 HB3 SER 38 3HB SER 38 -11.014 0.777 4.097 269 HG SER 38 HG SER 38 -12.839 1.590 2.267 270 H LEU 39 HN LEU 39 -9.513 -0.834 0.254 271 HA LEU 39 HA LEU 39 -11.146 -2.830 -0.516 272 HB2 LEU 39 2HB LEU 39 -12.204 -0.262 -1.413 273 HB3 LEU 39 3HB LEU 39 -12.007 -1.431 -2.716 274 HG LEU 39 HG LEU 39 -13.410 -2.332 -0.257 275 HD11 LEU 39 1HD1 LEU 39 -14.691 -0.453 -0.360 276 HD12 LEU 39 2HD1 LEU 39 -15.525 -1.431 -1.567 277 HD13 LEU 39 3HD1 LEU 39 -14.375 -0.193 -2.075 278 HD21 LEU 39 1HD2 LEU 39 -13.313 -2.970 -3.148 279 HD22 LEU 39 2HD2 LEU 39 -14.847 -3.222 -2.315 280 HD23 LEU 39 3HD2 LEU 39 -13.391 -4.041 -1.749 281 H ALA 40 HN ALA 40 -8.905 -0.380 -1.400 282 HA ALA 40 HA ALA 40 -8.082 -1.636 -3.868 283 HB1 ALA 40 1HB ALA 40 -7.925 0.756 -3.726 284 HB2 ALA 40 2HB ALA 40 -6.902 0.646 -2.293 285 HB3 ALA 40 3HB ALA 40 -6.298 0.088 -3.852 286 H VAL 41 HN VAL 41 -7.214 -3.621 -3.574 287 HA VAL 41 HA VAL 41 -5.441 -4.209 -1.385 288 HB VAL 41 HB VAL 41 -5.867 -5.946 -3.805 289 HG11 VAL 41 1HG1 VAL 41 -5.029 -7.659 -2.557 290 HG12 VAL 41 2HG1 VAL 41 -4.160 -6.318 -1.808 291 HG13 VAL 41 3HG1 VAL 41 -5.602 -6.977 -1.035 292 HG21 VAL 41 1HG2 VAL 41 -7.571 -6.744 -1.685 293 HG22 VAL 41 2HG2 VAL 41 -7.866 -5.034 -1.999 294 HG23 VAL 41 3HG2 VAL 41 -8.015 -6.209 -3.306 295 H GLY 42 HN GLY 42 -3.369 -3.655 -1.361 296 HA2 GLY 42 1HA GLY 42 -1.879 -3.719 -3.909 297 HA3 GLY 42 2HA GLY 42 -1.687 -2.393 -2.773 298 H HIS 43 HN HIS 43 0.167 -4.528 -3.865 299 HA HIS 43 HA HIS 43 1.139 -5.503 -1.259 300 HB2 HIS 43 2HB HIS 43 1.250 -7.582 -2.074 301 HB3 HIS 43 3HB HIS 43 0.446 -7.012 -3.533 302 HD1 HIS 43 1HD HIS 43 1.899 -6.646 -5.623 303 HD2 HIS 43 2HD HIS 43 4.026 -7.954 -2.304 304 HE1 HIS 43 1HE HIS 43 4.159 -7.320 -6.496 305 H LEU 44 HN LEU 44 3.090 -4.820 -0.663 306 HA LEU 44 HA LEU 44 4.544 -2.940 -2.162 307 HB2 LEU 44 2HB LEU 44 4.711 -4.188 0.422 308 HB3 LEU 44 3HB LEU 44 6.310 -4.088 -0.312 309 HG LEU 44 HG LEU 44 4.475 -1.720 0.011 310 HD11 LEU 44 1HD1 LEU 44 6.267 -3.051 1.927 311 HD12 LEU 44 2HD1 LEU 44 4.889 -1.988 2.205 312 HD13 LEU 44 3HD1 LEU 44 6.460 -1.303 1.790 313 HD21 LEU 44 1HD2 LEU 44 6.906 -0.680 -0.102 314 HD22 LEU 44 2HD2 LEU 44 5.982 -1.045 -1.561 315 HD23 LEU 44 3HD2 LEU 44 7.232 -2.160 -1.005 316 H THR 45 HN THR 45 5.882 -3.206 -3.811 317 HA THR 45 HA THR 45 6.713 -5.844 -4.623 318 HB THR 45 HB THR 45 7.526 -4.854 -6.615 319 HG1 THR 45 1HG THR 45 7.643 -2.469 -6.713 320 HG21 THR 45 1HG2 THR 45 5.655 -3.283 -7.275 321 HG22 THR 45 2HG2 THR 45 5.075 -3.414 -5.614 322 HG23 THR 45 3HG2 THR 45 5.151 -4.848 -6.637 323 H LYS 46 HN LYS 46 7.829 -4.095 -2.226 324 HA LYS 46 HA LYS 46 10.669 -4.189 -2.851 325 HB2 LYS 46 2HB LYS 46 9.118 -3.209 -0.457 326 HB3 LYS 46 3HB LYS 46 10.875 -3.275 -0.488 327 HG2 LYS 46 2HG LYS 46 10.093 -1.947 -2.836 328 HG3 LYS 46 3HG LYS 46 9.122 -1.271 -1.526 329 HD2 LYS 46 2HD LYS 46 12.130 -1.492 -1.611 330 HD3 LYS 46 3HD LYS 46 11.177 -0.013 -1.757 331 HE2 LYS 46 2HE LYS 46 11.020 0.190 0.456 332 HE3 LYS 46 3HE LYS 46 10.477 -1.477 0.631 333 HZ1 LYS 46 1HZ LYS 46 13.323 -0.940 0.139 334 HZ2 LYS 46 2HZ LYS 46 12.602 -2.232 0.960 335 HZ3 LYS 46 3HZ LYS 46 12.700 -0.711 1.696 336 H CYS 47 HN CYS 47 8.308 -5.822 -0.819 337 HA CYS 47 HA CYS 47 10.359 -7.838 -0.180 338 HB2 CYS 47 2HB CYS 47 9.037 -8.241 1.942 339 HB3 CYS 47 3HB CYS 47 9.911 -6.714 1.870 340 H SER 48 HN SER 48 7.311 -7.150 -1.510 341 HA SER 48 HA SER 48 5.961 -8.531 -2.768 342 HB2 SER 48 2HB SER 48 8.071 -10.085 -2.749 343 HB3 SER 48 3HB SER 48 7.160 -10.995 -1.544 344 HG SER 48 HG SER 48 6.473 -11.885 -3.374 345 H HIS 49 HN HIS 49 5.314 -7.454 -0.254 346 HA HIS 49 HA HIS 49 3.656 -9.565 0.952 347 HB2 HIS 49 2HB HIS 49 4.516 -6.918 2.136 348 HB3 HIS 49 3HB HIS 49 3.557 -8.148 2.953 349 HD2 HIS 49 2HD HIS 49 6.729 -9.238 0.961 350 HE1 HIS 49 1HE HIS 49 7.537 -9.626 5.109 351 HE2 HIS 49 2HE HIS 49 8.408 -10.002 2.775 352 H ALA 50 HN ALA 50 1.470 -9.152 1.412 353 HA ALA 50 HA ALA 50 0.322 -6.845 -0.021 354 HB1 ALA 50 1HB ALA 50 -1.638 -8.297 -0.517 355 HB2 ALA 50 2HB ALA 50 -0.146 -8.815 -1.302 356 HB3 ALA 50 3HB ALA 50 -0.730 -9.665 0.129 357 H PHE 51 HN PHE 51 -1.863 -6.227 0.750 358 HA PHE 51 HA PHE 51 -3.097 -7.033 3.059 359 HB2 PHE 51 2HB PHE 51 -2.089 -4.923 4.451 360 HB3 PHE 51 3HB PHE 51 -1.545 -6.586 4.642 361 HD1 PHE 51 1HD PHE 51 -0.843 -4.494 1.695 362 HD2 PHE 51 2HD PHE 51 0.675 -6.113 5.326 363 HE1 PHE 51 1HE PHE 51 1.431 -3.820 1.040 364 HE2 PHE 51 2HE PHE 51 2.951 -5.441 4.679 365 HZ PHE 51 HZ PHE 51 3.332 -4.292 2.534 366 H HIS 52 HN HIS 52 -4.350 -5.139 4.148 367 HA HIS 52 HA HIS 52 -5.773 -3.799 2.103 368 HB2 HIS 52 2HB HIS 52 -5.819 -3.619 5.108 369 HB3 HIS 52 3HB HIS 52 -6.834 -2.585 4.106 370 HD2 HIS 52 2HD HIS 52 -7.679 -5.039 1.963 371 HE1 HIS 52 1HE HIS 52 -9.385 -6.733 5.459 372 HE2 HIS 52 2HE HIS 52 -9.277 -6.822 2.944 373 H LEU 53 HN LEU 53 -4.989 -2.147 0.977 374 HA LEU 53 HA LEU 53 -2.825 -0.581 1.457 375 HB2 LEU 53 2HB LEU 53 -5.367 -0.103 -0.016 376 HB3 LEU 53 3HB LEU 53 -4.249 1.243 0.192 377 HG LEU 53 HG LEU 53 -3.615 -1.377 -1.163 378 HD11 LEU 53 1HD1 LEU 53 -4.493 -0.494 -2.994 379 HD12 LEU 53 2HD1 LEU 53 -3.356 0.849 -2.881 380 HD13 LEU 53 3HD1 LEU 53 -4.935 0.964 -2.106 381 HD21 LEU 53 1HD2 LEU 53 -1.586 -0.647 -0.298 382 HD22 LEU 53 2HD2 LEU 53 -1.990 1.056 -0.521 383 HD23 LEU 53 3HD2 LEU 53 -1.603 0.049 -1.917 384 H LEU 54 HN LEU 54 -6.157 0.476 2.187 385 HA LEU 54 HA LEU 54 -5.635 2.813 3.494 386 HB2 LEU 54 2HB LEU 54 -7.879 1.872 2.989 387 HB3 LEU 54 3HB LEU 54 -7.690 0.788 4.367 388 HG LEU 54 HG LEU 54 -8.120 2.424 5.887 389 HD11 LEU 54 1HD1 LEU 54 -7.014 4.419 3.918 390 HD12 LEU 54 2HD1 LEU 54 -6.236 3.825 5.385 391 HD13 LEU 54 3HD1 LEU 54 -7.680 4.832 5.498 392 HD21 LEU 54 1HD2 LEU 54 -9.474 4.172 4.027 393 HD22 LEU 54 2HD2 LEU 54 -10.143 3.102 5.258 394 HD23 LEU 54 3HD2 LEU 54 -9.771 2.475 3.651 395 H CYS 55 HN CYS 55 -6.187 -0.252 5.240 396 HA CYS 55 HA CYS 55 -5.507 0.428 7.755 397 HB2 CYS 55 2HB CYS 55 -4.794 -2.086 6.245 398 HB3 CYS 55 3HB CYS 55 -4.513 -1.908 7.975 399 H LEU 56 HN LEU 56 -3.152 -0.534 5.265 400 HA LEU 56 HA LEU 56 -0.850 -0.198 6.823 401 HB2 LEU 56 2HB LEU 56 -1.079 0.236 3.851 402 HB3 LEU 56 3HB LEU 56 0.376 -0.179 4.755 403 HG LEU 56 HG LEU 56 -1.951 -2.053 4.773 404 HD11 LEU 56 1HD1 LEU 56 -1.176 -1.229 2.383 405 HD12 LEU 56 2HD1 LEU 56 -1.550 -2.921 2.706 406 HD13 LEU 56 3HD1 LEU 56 0.128 -2.381 2.678 407 HD21 LEU 56 1HD2 LEU 56 0.347 -2.144 6.093 408 HD22 LEU 56 2HD2 LEU 56 0.899 -2.861 4.578 409 HD23 LEU 56 3HD2 LEU 56 -0.432 -3.599 5.470 410 H LEU 57 HN LEU 57 -2.179 2.025 4.366 411 HA LEU 57 HA LEU 57 -0.534 4.150 4.578 412 HB2 LEU 57 2HB LEU 57 -2.350 4.254 3.070 413 HB3 LEU 57 3HB LEU 57 -3.531 4.101 4.369 414 HG LEU 57 HG LEU 57 -2.544 6.396 5.143 415 HD11 LEU 57 1HD1 LEU 57 -2.183 7.465 2.620 416 HD12 LEU 57 2HD1 LEU 57 -1.251 5.969 2.585 417 HD13 LEU 57 3HD1 LEU 57 -0.931 7.178 3.827 418 HD21 LEU 57 1HD2 LEU 57 -4.850 5.890 4.300 419 HD22 LEU 57 2HD2 LEU 57 -4.279 6.295 2.681 420 HD23 LEU 57 3HD2 LEU 57 -4.273 7.519 3.952 421 H ALA 58 HN ALA 58 -3.067 3.284 6.880 422 HA ALA 58 HA ALA 58 -2.833 5.587 8.507 423 HB1 ALA 58 1HB ALA 58 -4.217 4.468 10.057 424 HB2 ALA 58 2HB ALA 58 -4.746 3.931 8.462 425 HB3 ALA 58 3HB ALA 58 -3.737 2.881 9.457 426 H MET 59 HN MET 59 -1.819 2.255 9.296 427 HA MET 59 HA MET 59 -0.150 3.034 11.428 428 HB2 MET 59 2HB MET 59 0.864 0.667 10.964 429 HB3 MET 59 3HB MET 59 -0.782 0.815 11.563 430 HG2 MET 59 2HG MET 59 -1.630 -0.144 9.751 431 HG3 MET 59 3HG MET 59 -0.676 0.871 8.673 432 HE1 MET 59 1HE MET 59 2.059 0.530 9.194 433 HE2 MET 59 2HE MET 59 2.753 -1.022 8.727 434 HE3 MET 59 3HE MET 59 1.814 -0.089 7.561 435 H TYR 60 HN TYR 60 0.261 3.427 8.139 436 HA TYR 60 HA TYR 60 3.034 2.933 7.852 437 HB2 TYR 60 2HB TYR 60 2.462 3.276 5.721 438 HB3 TYR 60 3HB TYR 60 0.893 3.898 6.221 439 HD1 TYR 60 1HD TYR 60 3.667 4.657 4.334 440 HD2 TYR 60 2HD TYR 60 1.127 6.417 7.259 441 HE1 TYR 60 1HE TYR 60 4.305 6.893 3.534 442 HE2 TYR 60 2HE TYR 60 1.758 8.659 6.466 443 HH TYR 60 HH TYR 60 3.896 9.629 5.202 444 H CYS 61 HN CYS 61 1.294 5.400 9.421 445 HA CYS 61 HA CYS 61 3.028 7.589 9.101 446 HB2 CYS 61 2HB CYS 61 0.725 7.721 10.042 447 HB3 CYS 61 3HB CYS 61 1.310 6.937 11.504 448 HG CYS 61 HG CYS 61 3.106 9.035 12.117 449 H ASN 62 HN ASN 62 3.574 4.641 10.575 450 HA ASN 62 HA ASN 62 5.485 5.705 12.518 451 HB2 ASN 62 2HB ASN 62 3.756 3.542 12.611 452 HB3 ASN 62 3HB ASN 62 5.323 2.796 12.310 453 HD21 ASN 62 1HD2 ASN 62 3.597 5.003 14.439 454 HD22 ASN 62 2HD2 ASN 62 4.576 4.712 15.833 455 H GLY 63 HN GLY 63 5.437 3.184 9.987 456 HA2 GLY 63 1HA GLY 63 8.302 3.757 9.539 457 HA3 GLY 63 2HA GLY 63 7.604 2.152 9.388 458 H ASN 64 HN ASN 64 8.944 2.737 7.280 459 HA ASN 64 HA ASN 64 8.962 3.441 5.075 460 HB2 ASN 64 2HB ASN 64 7.499 1.235 5.460 461 HB3 ASN 64 3HB ASN 64 6.238 2.274 4.800 462 HD21 ASN 64 1HD2 ASN 64 7.606 -0.123 3.726 463 HD22 ASN 64 2HD2 ASN 64 8.215 0.357 2.183 464 H LYS 65 HN LYS 65 8.215 5.617 6.539 465 HA LYS 65 HA LYS 65 5.738 6.720 5.578 466 HB2 LYS 65 2HB LYS 65 7.257 7.222 7.760 467 HB3 LYS 65 3HB LYS 65 7.787 8.530 6.710 468 HG2 LYS 65 2HG LYS 65 5.798 9.603 6.809 469 HG3 LYS 65 3HG LYS 65 4.870 8.107 6.933 470 HD2 LYS 65 2HD LYS 65 4.963 8.087 9.189 471 HD3 LYS 65 3HD LYS 65 6.614 8.708 9.229 472 HE2 LYS 65 2HE LYS 65 4.563 10.598 8.281 473 HE3 LYS 65 3HE LYS 65 4.434 10.126 9.974 474 HZ1 LYS 65 1HZ LYS 65 7.093 10.843 9.046 475 HZ2 LYS 65 2HZ LYS 65 6.326 11.197 10.510 476 HZ3 LYS 65 3HZ LYS 65 5.976 12.111 9.130 477 H ASP 66 HN ASP 66 6.467 6.238 3.280 478 HA ASP 66 HA ASP 66 8.007 8.518 2.221 479 HB2 ASP 66 2HB ASP 66 8.055 5.654 1.602 480 HB3 ASP 66 3HB ASP 66 7.921 6.677 0.174 481 H GLY 67 HN GLY 67 5.165 8.498 2.864 482 HA2 GLY 67 1HA GLY 67 3.219 9.298 1.944 483 HA3 GLY 67 2HA GLY 67 4.172 9.746 0.537 484 H SER 68 HN SER 68 3.155 6.673 2.038 485 HA SER 68 HA SER 68 1.535 5.955 -0.206 486 HB2 SER 68 2HB SER 68 4.083 4.372 0.188 487 HB3 SER 68 3HB SER 68 2.839 4.087 -1.028 488 HG SER 68 HG SER 68 4.727 6.166 -0.867 489 H LEU 69 HN LEU 69 3.557 4.000 1.974 490 HA LEU 69 HA LEU 69 1.622 3.493 3.920 491 HB2 LEU 69 2HB LEU 69 0.966 1.190 3.305 492 HB3 LEU 69 3HB LEU 69 0.324 2.422 2.220 493 HG LEU 69 HG LEU 69 1.046 0.392 1.035 494 HD11 LEU 69 1HD1 LEU 69 2.934 2.601 0.307 495 HD12 LEU 69 2HD1 LEU 69 1.192 2.779 0.101 496 HD13 LEU 69 3HD1 LEU 69 2.053 1.497 -0.749 497 HD21 LEU 69 1HD2 LEU 69 3.873 1.119 1.725 498 HD22 LEU 69 2HD2 LEU 69 3.259 -0.361 0.990 499 HD23 LEU 69 3HD2 LEU 69 2.948 -0.028 2.694 500 H GLN 70 HN GLN 70 2.129 1.141 4.939 501 HA GLN 70 HA GLN 70 5.021 0.674 4.830 502 HB2 GLN 70 2HB GLN 70 4.516 2.240 6.704 503 HB3 GLN 70 3HB GLN 70 3.481 1.005 7.409 504 HG2 GLN 70 2HG GLN 70 5.606 -0.477 7.292 505 HG3 GLN 70 3HG GLN 70 6.453 1.063 7.156 506 HE21 GLN 70 1HE2 GLN 70 6.829 -0.694 9.274 507 HE22 GLN 70 2HE2 GLN 70 6.234 0.040 10.720 508 H CYS 71 HN CYS 71 5.686 -1.390 5.629 509 HA CYS 71 HA CYS 71 3.560 -3.396 5.406 510 HB2 CYS 71 2HB CYS 71 5.369 -3.712 3.844 511 HB3 CYS 71 3HB CYS 71 6.562 -3.611 5.134 512 HA PRO 72 HA PRO 72 4.085 -3.609 9.901 513 HB2 PRO 72 2HB PRO 72 1.731 -4.893 10.323 514 HB3 PRO 72 3HB PRO 72 1.844 -3.144 10.095 515 HG2 PRO 72 2HG PRO 72 1.099 -5.268 8.121 516 HG3 PRO 72 3HG PRO 72 0.355 -3.680 8.391 517 HD2 PRO 72 2HD PRO 72 2.087 -4.152 6.364 518 HD3 PRO 72 3HD PRO 72 1.971 -2.577 7.173 519 H SER 73 HN SER 73 4.277 -5.861 7.478 520 HA SER 73 HA SER 73 4.212 -8.231 9.142 521 HB2 SER 73 2HB SER 73 3.670 -9.097 7.141 522 HB3 SER 73 3HB SER 73 4.218 -7.650 6.294 523 HG SER 73 HG SER 73 5.747 -9.898 7.087 524 H CYS 74 HN CYS 74 6.699 -6.812 7.009 525 HA CYS 74 HA CYS 74 8.732 -7.762 8.921 526 HB2 CYS 74 2HB CYS 74 10.217 -8.223 7.131 527 HB3 CYS 74 3HB CYS 74 8.668 -8.904 6.650 528 H LYS 75 HN LYS 75 7.236 -5.125 8.513 529 HA LYS 75 HA LYS 75 7.666 -2.877 8.445 530 HB2 LYS 75 2HB LYS 75 8.800 -3.885 10.588 531 HB3 LYS 75 3HB LYS 75 10.293 -3.460 9.760 532 HG2 LYS 75 2HG LYS 75 10.094 -1.405 10.551 533 HG3 LYS 75 3HG LYS 75 8.633 -1.205 9.579 534 HD2 LYS 75 2HD LYS 75 7.771 -0.770 11.649 535 HD3 LYS 75 3HD LYS 75 7.547 -2.521 11.606 536 HE2 LYS 75 2HE LYS 75 9.869 -2.642 12.691 537 HE3 LYS 75 3HE LYS 75 9.655 -0.925 13.030 538 HZ1 LYS 75 1HZ LYS 75 8.239 -1.364 14.675 539 HZ2 LYS 75 2HZ LYS 75 8.800 -2.959 14.603 540 HZ3 LYS 75 3HZ LYS 75 7.388 -2.521 13.780 541 H THR 76 HN THR 76 8.234 -3.817 6.014 542 HA THR 76 HA THR 76 10.932 -2.997 5.272 543 HB THR 76 HB THR 76 8.871 -4.688 4.072 544 HG1 THR 76 1HG THR 76 11.376 -4.853 4.671 545 HG21 THR 76 1HG2 THR 76 9.549 -4.195 1.735 546 HG22 THR 76 2HG2 THR 76 10.398 -2.763 2.316 547 HG23 THR 76 3HG2 THR 76 8.647 -2.879 2.486 Start of MODEL 3 1 H1 ASN 1 HN ASN 1 4.517 5.479 -5.738 2 HA ASN 1 HA ASN 1 3.977 4.493 -3.676 3 HB2 ASN 1 2HB ASN 1 1.895 2.967 -5.257 4 HB3 ASN 1 3HB ASN 1 2.156 2.828 -3.522 5 HD21 ASN 1 1HD2 ASN 1 -0.247 3.606 -4.867 6 HD22 ASN 1 2HD2 ASN 1 -0.625 5.208 -4.343 7 H TYR 2 HN TYR 2 3.942 1.985 -2.972 8 HA TYR 2 HA TYR 2 6.098 0.753 -4.545 9 HB2 TYR 2 2HB TYR 2 5.495 -0.282 -1.839 10 HB3 TYR 2 3HB TYR 2 7.047 0.027 -2.607 11 HD1 TYR 2 1HD TYR 2 7.298 2.733 -3.134 12 HD2 TYR 2 2HD TYR 2 5.140 0.947 0.070 13 HE1 TYR 2 1HE TYR 2 7.536 4.803 -1.827 14 HE2 TYR 2 2HE TYR 2 5.372 3.013 1.384 15 HH TYR 2 HH TYR 2 6.313 5.030 1.494 16 H THR 3 HN THR 3 2.856 0.339 -3.474 17 HA THR 3 HA THR 3 2.866 -2.492 -4.257 18 HB THR 3 HB THR 3 1.113 -2.873 -2.860 19 HG1 THR 3 1HG THR 3 0.266 -0.269 -3.583 20 HG21 THR 3 1HG2 THR 3 2.725 -1.990 -1.349 21 HG22 THR 3 2HG2 THR 3 1.166 -1.315 -0.873 22 HG23 THR 3 3HG2 THR 3 2.314 -0.330 -1.778 23 H GLU 4 HN GLU 4 1.748 -3.224 -5.987 24 HA GLU 4 HA GLU 4 0.472 -1.196 -7.683 25 HB2 GLU 4 2HB GLU 4 2.248 -2.339 -8.810 26 HB3 GLU 4 3HB GLU 4 1.638 -3.908 -8.307 27 HG2 GLU 4 2HG GLU 4 -0.365 -3.540 -9.695 28 HG3 GLU 4 3HG GLU 4 0.328 -2.017 -10.247 29 H GLU 5 HN GLU 5 -1.663 -1.092 -7.576 30 HA GLU 5 HA GLU 5 -3.425 -2.648 -6.266 31 HB2 GLU 5 2HB GLU 5 -3.735 -0.514 -7.819 32 HB3 GLU 5 3HB GLU 5 -4.315 -1.724 -8.956 33 HG2 GLU 5 2HG GLU 5 -5.978 -2.462 -7.328 34 HG3 GLU 5 3HG GLU 5 -5.397 -1.250 -6.187 35 H LEU 6 HN LEU 6 -4.699 -4.452 -6.641 36 HA LEU 6 HA LEU 6 -3.788 -6.180 -8.844 37 HB2 LEU 6 2HB LEU 6 -5.019 -7.031 -6.231 38 HB3 LEU 6 3HB LEU 6 -4.331 -8.080 -7.468 39 HG LEU 6 HG LEU 6 -2.896 -6.264 -5.550 40 HD11 LEU 6 1HD1 LEU 6 -3.416 -8.477 -4.726 41 HD12 LEU 6 2HD1 LEU 6 -1.685 -8.342 -5.028 42 HD13 LEU 6 3HD1 LEU 6 -2.713 -9.210 -6.168 43 HD21 LEU 6 1HD2 LEU 6 -0.830 -6.768 -6.725 44 HD22 LEU 6 2HD2 LEU 6 -1.952 -5.919 -7.789 45 HD23 LEU 6 3HD2 LEU 6 -1.725 -7.661 -7.955 46 H LYS 7 HN LYS 7 -5.261 -7.148 -10.164 47 HA LYS 7 HA LYS 7 -7.767 -5.956 -10.525 48 HB2 LYS 7 2HB LYS 7 -6.215 -8.054 -11.763 49 HB3 LYS 7 3HB LYS 7 -7.909 -8.519 -11.674 50 HG2 LYS 7 2HG LYS 7 -8.461 -7.139 -13.321 51 HG3 LYS 7 3HG LYS 7 -7.611 -5.787 -12.568 52 HD2 LYS 7 2HD LYS 7 -5.492 -7.122 -13.438 53 HD3 LYS 7 3HD LYS 7 -6.666 -7.738 -14.603 54 HE2 LYS 7 2HE LYS 7 -7.084 -4.961 -14.433 55 HE3 LYS 7 3HE LYS 7 -5.340 -5.197 -14.531 56 HZ1 LYS 7 1HZ LYS 7 -5.604 -6.443 -16.534 57 HZ2 LYS 7 2HZ LYS 7 -6.445 -4.987 -16.715 58 HZ3 LYS 7 3HZ LYS 7 -7.291 -6.418 -16.405 59 H VAL 8 HN VAL 8 -6.771 -8.330 -8.305 60 HA VAL 8 HA VAL 8 -9.430 -8.546 -7.228 61 HB VAL 8 HB VAL 8 -9.151 -11.158 -7.223 62 HG11 VAL 8 1HG1 VAL 8 -10.989 -11.055 -8.472 63 HG12 VAL 8 2HG1 VAL 8 -10.668 -9.332 -8.681 64 HG13 VAL 8 3HG1 VAL 8 -10.079 -10.492 -9.873 65 HG21 VAL 8 1HG2 VAL 8 -7.589 -10.322 -9.660 66 HG22 VAL 8 2HG2 VAL 8 -7.020 -11.300 -8.308 67 HG23 VAL 8 3HG2 VAL 8 -8.237 -11.943 -9.410 68 HA PRO 9 HA PRO 9 -7.187 -9.025 -3.485 69 HB2 PRO 9 2HB PRO 9 -8.975 -10.407 -1.980 70 HB3 PRO 9 3HB PRO 9 -9.181 -8.701 -2.391 71 HG2 PRO 9 2HG PRO 9 -10.417 -11.117 -3.655 72 HG3 PRO 9 3HG PRO 9 -11.168 -9.566 -3.237 73 HD2 PRO 9 2HD PRO 9 -10.395 -10.178 -5.759 74 HD3 PRO 9 3HD PRO 9 -10.354 -8.521 -5.124 75 HA PRO 10 HA PRO 10 -5.215 -12.996 -3.981 76 HB2 PRO 10 2HB PRO 10 -3.310 -12.607 -2.086 77 HB3 PRO 10 3HB PRO 10 -3.232 -11.874 -3.693 78 HG2 PRO 10 2HG PRO 10 -4.137 -10.672 -1.104 79 HG3 PRO 10 3HG PRO 10 -3.115 -9.965 -2.369 80 HD2 PRO 10 2HD PRO 10 -5.747 -9.380 -2.127 81 HD3 PRO 10 3HD PRO 10 -4.918 -9.418 -3.696 82 H ASP 11 HN ASP 11 -4.036 -14.356 -1.938 83 HA ASP 11 HA ASP 11 -6.253 -14.852 -0.060 84 HB2 ASP 11 2HB ASP 11 -4.365 -17.040 -0.823 85 HB3 ASP 11 3HB ASP 11 -6.047 -17.141 -0.310 86 H GLU 12 HN GLU 12 -4.451 -13.045 0.736 87 HA GLU 12 HA GLU 12 -2.612 -14.512 2.509 88 HB2 GLU 12 2HB GLU 12 -1.746 -12.764 0.794 89 HB3 GLU 12 3HB GLU 12 -2.385 -11.576 1.922 90 HG2 GLU 12 2HG GLU 12 -0.536 -11.716 3.115 91 HG3 GLU 12 3HG GLU 12 -0.856 -13.423 3.416 92 H ASP 13 HN ASP 13 -5.242 -12.259 2.342 93 HA ASP 13 HA ASP 13 -6.625 -11.399 3.931 94 HB2 ASP 13 2HB ASP 13 -5.215 -13.322 5.794 95 HB3 ASP 13 3HB ASP 13 -6.734 -12.493 6.121 96 H CYS 14 HN CYS 14 -6.514 -9.471 4.885 97 HA CYS 14 HA CYS 14 -4.305 -7.955 5.197 98 HB2 CYS 14 2HB CYS 14 -6.651 -7.159 5.462 99 HB3 CYS 14 3HB CYS 14 -6.669 -7.852 7.081 100 H ILE 15 HN ILE 15 -3.069 -7.219 7.045 101 HA ILE 15 HA ILE 15 -2.686 -9.346 9.051 102 HB ILE 15 HB ILE 15 -0.399 -7.592 8.747 103 HG12 ILE 15 2HG1 ILE 15 -1.275 -9.188 6.330 104 HG13 ILE 15 3HG1 ILE 15 -1.142 -7.436 6.424 105 HG21 ILE 15 1HG2 ILE 15 -0.501 -10.538 8.204 106 HG22 ILE 15 2HG2 ILE 15 0.808 -9.582 8.897 107 HG23 ILE 15 3HG2 ILE 15 -0.646 -9.901 9.841 108 HD11 ILE 15 1HD1 ILE 15 1.260 -7.619 6.718 109 HD12 ILE 15 2HD1 ILE 15 1.140 -9.378 6.678 110 HD13 ILE 15 3HD1 ILE 15 0.741 -8.434 5.243 111 H ILE 16 HN ILE 16 -3.292 -6.018 8.484 112 HA ILE 16 HA ILE 16 -2.428 -5.037 11.026 113 HB ILE 16 HB ILE 16 -4.519 -3.691 9.345 114 HG12 ILE 16 2HG1 ILE 16 -1.785 -4.372 8.575 115 HG13 ILE 16 3HG1 ILE 16 -3.113 -3.772 7.588 116 HG21 ILE 16 1HG2 ILE 16 -3.716 -1.702 10.288 117 HG22 ILE 16 2HG2 ILE 16 -3.736 -2.852 11.623 118 HG23 ILE 16 3HG2 ILE 16 -2.215 -2.458 10.822 119 HD11 ILE 16 1HD1 ILE 16 -1.061 -2.227 9.118 120 HD12 ILE 16 2HD1 ILE 16 -1.488 -2.128 7.409 121 HD13 ILE 16 3HD1 ILE 16 -2.588 -1.491 8.632 122 H CYS 17 HN CYS 17 -5.737 -5.105 9.701 123 HA CYS 17 HA CYS 17 -6.849 -5.181 12.361 124 HB2 CYS 17 2HB CYS 17 -9.005 -5.030 11.264 125 HB3 CYS 17 3HB CYS 17 -7.898 -3.876 10.528 126 H MET 18 HN MET 18 -5.467 -7.493 10.566 127 HA MET 18 HA MET 18 -5.587 -9.764 10.432 128 HB2 MET 18 2HB MET 18 -6.616 -9.089 13.142 129 HB3 MET 18 3HB MET 18 -6.802 -10.748 12.590 130 HG2 MET 18 2HG MET 18 -4.189 -10.192 11.969 131 HG3 MET 18 3HG MET 18 -4.429 -9.327 13.485 132 HE1 MET 18 1HE MET 18 -5.816 -12.640 11.954 133 HE2 MET 18 2HE MET 18 -4.073 -12.836 11.766 134 HE3 MET 18 3HE MET 18 -4.961 -13.865 12.891 135 H GLU 19 HN GLU 19 -7.426 -8.710 8.813 136 HA GLU 19 HA GLU 19 -9.751 -10.476 9.183 137 HB2 GLU 19 2HB GLU 19 -9.804 -7.683 8.026 138 HB3 GLU 19 3HB GLU 19 -11.178 -8.775 8.135 139 HG2 GLU 19 2HG GLU 19 -9.792 -8.246 10.670 140 HG3 GLU 19 3HG GLU 19 -10.604 -6.861 9.943 141 H LYS 20 HN LYS 20 -11.019 -10.393 6.902 142 HA LYS 20 HA LYS 20 -9.287 -11.728 5.079 143 HB2 LYS 20 2HB LYS 20 -12.138 -11.274 5.380 144 HB3 LYS 20 3HB LYS 20 -11.639 -11.120 3.700 145 HG2 LYS 20 2HG LYS 20 -10.881 -13.321 3.596 146 HG3 LYS 20 3HG LYS 20 -10.811 -13.477 5.354 147 HD2 LYS 20 2HD LYS 20 -13.233 -13.423 5.483 148 HD3 LYS 20 3HD LYS 20 -13.342 -13.164 3.740 149 HE2 LYS 20 2HE LYS 20 -12.358 -15.338 3.326 150 HE3 LYS 20 3HE LYS 20 -12.127 -15.591 5.056 151 HZ1 LYS 20 1HZ LYS 20 -14.832 -15.032 4.073 152 HZ2 LYS 20 2HZ LYS 20 -14.337 -15.972 5.390 153 HZ3 LYS 20 3HZ LYS 20 -14.189 -16.576 3.817 154 H LEU 21 HN LEU 21 -8.434 -11.066 3.156 155 HA LEU 21 HA LEU 21 -7.981 -8.279 2.803 156 HB2 LEU 21 2HB LEU 21 -7.136 -10.783 1.514 157 HB3 LEU 21 3HB LEU 21 -7.176 -9.374 0.455 158 HG LEU 21 HG LEU 21 -5.561 -9.687 2.984 159 HD11 LEU 21 1HD1 LEU 21 -4.864 -10.839 0.795 160 HD12 LEU 21 2HD1 LEU 21 -3.677 -9.837 1.629 161 HD13 LEU 21 3HD1 LEU 21 -4.522 -9.209 0.215 162 HD21 LEU 21 1HD2 LEU 21 -6.522 -7.327 1.692 163 HD22 LEU 21 2HD2 LEU 21 -4.772 -7.422 1.504 164 HD23 LEU 21 3HD2 LEU 21 -5.489 -7.474 3.114 165 H SER 22 HN SER 22 -10.669 -10.015 2.188 166 HA SER 22 HA SER 22 -11.376 -8.428 -0.191 167 HB2 SER 22 2HB SER 22 -13.287 -10.249 -0.273 168 HB3 SER 22 3HB SER 22 -11.681 -10.606 -0.910 169 HG SER 22 HG SER 22 -12.794 -11.379 1.574 170 H THR 23 HN THR 23 -11.904 -8.797 3.107 171 HA THR 23 HA THR 23 -14.645 -7.850 3.100 172 HB THR 23 HB THR 23 -14.023 -7.663 5.681 173 HG1 THR 23 1HG THR 23 -11.996 -8.289 5.894 174 HG21 THR 23 1HG2 THR 23 -14.609 -10.118 5.875 175 HG22 THR 23 2HG2 THR 23 -14.579 -10.175 4.112 176 HG23 THR 23 3HG2 THR 23 -15.734 -9.133 4.941 177 H ALA 24 HN ALA 24 -12.009 -6.320 2.288 178 HA ALA 24 HA ALA 24 -11.520 -4.092 2.111 179 HB1 ALA 24 1HB ALA 24 -14.158 -4.003 2.595 180 HB2 ALA 24 2HB ALA 24 -13.562 -3.182 4.037 181 HB3 ALA 24 3HB ALA 24 -13.151 -2.563 2.437 182 H SER 25 HN SER 25 -10.832 -2.199 3.558 183 HA SER 25 HA SER 25 -9.122 -3.250 5.590 184 HB2 SER 25 2HB SER 25 -7.979 -1.330 5.300 185 HB3 SER 25 3HB SER 25 -9.096 -1.004 3.975 186 HG SER 25 HG SER 25 -8.899 0.183 6.434 187 H GLY 26 HN GLY 26 -9.544 -3.515 7.679 188 HA2 GLY 26 1HA GLY 26 -12.074 -2.813 8.787 189 HA3 GLY 26 2HA GLY 26 -10.717 -3.512 9.659 190 H TYR 27 HN TYR 27 -9.157 -1.088 8.461 191 HA TYR 27 HA TYR 27 -9.447 0.540 10.809 192 HB2 TYR 27 2HB TYR 27 -7.599 0.420 8.490 193 HB3 TYR 27 3HB TYR 27 -7.769 1.984 9.280 194 HD1 TYR 27 1HD TYR 27 -7.751 -1.466 10.706 195 HD2 TYR 27 2HD TYR 27 -5.827 2.324 10.503 196 HE1 TYR 27 1HE TYR 27 -6.172 -2.182 12.449 197 HE2 TYR 27 2HE TYR 27 -4.241 1.617 12.246 198 HH TYR 27 HH TYR 27 -4.273 -1.675 13.535 199 H SER 28 HN SER 28 -10.634 0.601 7.565 200 HA SER 28 HA SER 28 -11.096 3.207 6.976 201 HB2 SER 28 2HB SER 28 -11.823 1.453 5.480 202 HB3 SER 28 3HB SER 28 -13.014 0.889 6.652 203 HG SER 28 HG SER 28 -14.089 2.159 5.192 204 H ASP 29 HN ASP 29 -12.571 1.361 9.522 205 HA ASP 29 HA ASP 29 -14.871 2.687 10.118 206 HB2 ASP 29 2HB ASP 29 -13.061 1.008 11.523 207 HB3 ASP 29 3HB ASP 29 -13.446 2.363 12.579 208 H VAL 30 HN VAL 30 -11.585 3.720 10.969 209 HA VAL 30 HA VAL 30 -12.624 6.445 11.336 210 HB VAL 30 HB VAL 30 -12.233 5.392 13.561 211 HG11 VAL 30 1HG1 VAL 30 -10.273 4.464 14.196 212 HG12 VAL 30 2HG1 VAL 30 -10.080 4.220 12.459 213 HG13 VAL 30 3HG1 VAL 30 -9.306 5.594 13.249 214 HG21 VAL 30 1HG2 VAL 30 -10.135 7.434 13.503 215 HG22 VAL 30 2HG2 VAL 30 -11.636 7.915 12.714 216 HG23 VAL 30 3HG2 VAL 30 -11.654 7.393 14.397 217 H THR 31 HN THR 31 -10.697 4.524 9.582 218 HA THR 31 HA THR 31 -8.693 6.640 9.131 219 HB THR 31 HB THR 31 -8.149 3.848 8.237 220 HG1 THR 31 1HG THR 31 -8.763 3.500 10.373 221 HG21 THR 31 1HG2 THR 31 -6.142 4.736 7.863 222 HG22 THR 31 2HG2 THR 31 -5.993 5.162 9.568 223 HG23 THR 31 3HG2 THR 31 -6.736 6.293 8.439 224 H ASP 32 HN ASP 32 -9.828 7.733 7.542 225 HA ASP 32 HA ASP 32 -10.841 6.300 5.236 226 HB2 ASP 32 2HB ASP 32 -11.975 8.320 6.263 227 HB3 ASP 32 3HB ASP 32 -10.663 9.292 5.600 228 H SER 33 HN SER 33 -7.870 6.672 6.029 229 HA SER 33 HA SER 33 -5.865 7.169 5.029 230 HB2 SER 33 2HB SER 33 -6.337 5.125 3.888 231 HB3 SER 33 3HB SER 33 -7.479 5.917 2.803 232 HG SER 33 HG SER 33 -5.851 6.766 1.674 233 H LYS 34 HN LYS 34 -7.502 7.655 1.988 234 HA LYS 34 HA LYS 34 -7.804 10.443 2.067 235 HB2 LYS 34 2HB LYS 34 -5.354 10.445 2.267 236 HB3 LYS 34 3HB LYS 34 -5.229 9.502 0.788 237 HG2 LYS 34 2HG LYS 34 -6.781 11.929 0.426 238 HG3 LYS 34 3HG LYS 34 -5.139 12.247 0.990 239 HD2 LYS 34 2HD LYS 34 -5.198 10.223 -1.085 240 HD3 LYS 34 3HD LYS 34 -5.926 11.738 -1.623 241 HE2 LYS 34 2HE LYS 34 -3.830 12.842 -0.598 242 HE3 LYS 34 3HE LYS 34 -3.138 11.221 -0.648 243 HZ1 LYS 34 1HZ LYS 34 -3.502 13.085 -2.765 244 HZ2 LYS 34 2HZ LYS 34 -4.244 11.609 -3.130 245 HZ3 LYS 34 3HZ LYS 34 -2.598 11.655 -2.741 246 H ALA 35 HN ALA 35 -6.565 7.979 -0.197 247 HA ALA 35 HA ALA 35 -8.921 8.432 -1.879 248 HB1 ALA 35 1HB ALA 35 -6.066 8.556 -2.832 249 HB2 ALA 35 2HB ALA 35 -7.456 8.388 -3.906 250 HB3 ALA 35 3HB ALA 35 -7.284 9.830 -2.906 251 H LEU 36 HN LEU 36 -7.265 6.308 -0.145 252 HA LEU 36 HA LEU 36 -6.976 4.113 -1.953 253 HB2 LEU 36 2HB LEU 36 -7.041 4.266 1.054 254 HB3 LEU 36 3HB LEU 36 -6.740 2.778 0.157 255 HG LEU 36 HG LEU 36 -5.001 5.242 0.219 256 HD11 LEU 36 1HD1 LEU 36 -3.468 3.124 0.946 257 HD12 LEU 36 2HD1 LEU 36 -5.026 2.676 1.640 258 HD13 LEU 36 3HD1 LEU 36 -4.277 4.212 2.075 259 HD21 LEU 36 1HD2 LEU 36 -4.495 4.589 -1.881 260 HD22 LEU 36 2HD2 LEU 36 -5.122 2.958 -1.644 261 HD23 LEU 36 3HD2 LEU 36 -3.519 3.384 -1.041 262 H GLY 37 HN GLY 37 -9.504 5.282 0.177 263 HA2 GLY 37 1HA GLY 37 -11.722 4.708 0.336 264 HA3 GLY 37 2HA GLY 37 -11.527 3.858 -1.189 265 H SER 38 HN SER 38 -9.266 2.676 0.922 266 HA SER 38 HA SER 38 -9.022 0.622 1.884 267 HB2 SER 38 2HB SER 38 -11.302 0.161 3.336 268 HB3 SER 38 3HB SER 38 -9.946 1.148 3.879 269 HG SER 38 HG SER 38 -12.424 1.920 3.501 270 H LEU 39 HN LEU 39 -10.369 0.759 -0.757 271 HA LEU 39 HA LEU 39 -11.683 -1.872 -0.648 272 HB2 LEU 39 2HB LEU 39 -13.375 -1.236 -2.062 273 HB3 LEU 39 3HB LEU 39 -13.155 0.223 -1.100 274 HG LEU 39 HG LEU 39 -11.479 0.443 -3.374 275 HD11 LEU 39 1HD1 LEU 39 -13.574 0.489 -4.988 276 HD12 LEU 39 2HD1 LEU 39 -14.123 -0.794 -3.910 277 HD13 LEU 39 3HD1 LEU 39 -12.595 -0.963 -4.774 278 HD21 LEU 39 1HD2 LEU 39 -12.568 2.241 -2.041 279 HD22 LEU 39 2HD2 LEU 39 -14.102 1.811 -2.798 280 HD23 LEU 39 3HD2 LEU 39 -12.771 2.418 -3.784 281 H ALA 40 HN ALA 40 -8.908 -1.247 -1.136 282 HA ALA 40 HA ALA 40 -8.673 -2.471 -3.785 283 HB1 ALA 40 1HB ALA 40 -8.193 -0.339 -4.490 284 HB2 ALA 40 2HB ALA 40 -7.477 0.128 -2.947 285 HB3 ALA 40 3HB ALA 40 -6.585 -0.915 -4.053 286 H VAL 41 HN VAL 41 -6.787 -3.714 -4.088 287 HA VAL 41 HA VAL 41 -5.339 -4.331 -1.594 288 HB VAL 41 HB VAL 41 -5.396 -6.356 -3.754 289 HG11 VAL 41 1HG1 VAL 41 -4.671 -7.638 -2.092 290 HG12 VAL 41 2HG1 VAL 41 -4.676 -6.217 -1.047 291 HG13 VAL 41 3HG1 VAL 41 -6.095 -7.263 -1.121 292 HG21 VAL 41 1HG2 VAL 41 -7.822 -5.559 -2.174 293 HG22 VAL 41 2HG2 VAL 41 -7.678 -5.841 -3.908 294 HG23 VAL 41 3HG2 VAL 41 -7.610 -7.199 -2.786 295 H GLY 42 HN GLY 42 -3.245 -3.862 -1.606 296 HA2 GLY 42 1HA GLY 42 -1.792 -3.983 -4.169 297 HA3 GLY 42 2HA GLY 42 -1.636 -2.579 -3.125 298 H HIS 43 HN HIS 43 0.169 -4.907 -4.098 299 HA HIS 43 HA HIS 43 1.205 -5.654 -1.443 300 HB2 HIS 43 2HB HIS 43 1.999 -7.667 -2.323 301 HB3 HIS 43 3HB HIS 43 0.456 -7.458 -3.146 302 HD1 HIS 43 1HD HIS 43 3.870 -8.261 -3.814 303 HD2 HIS 43 2HD HIS 43 0.900 -6.168 -5.829 304 HE1 HIS 43 1HE HIS 43 4.615 -8.180 -6.215 305 H LEU 44 HN LEU 44 3.044 -4.739 -0.829 306 HA LEU 44 HA LEU 44 4.449 -2.860 -2.309 307 HB2 LEU 44 2HB LEU 44 4.704 -4.162 0.244 308 HB3 LEU 44 3HB LEU 44 6.287 -3.968 -0.505 309 HG LEU 44 HG LEU 44 4.624 -1.554 -0.564 310 HD11 LEU 44 1HD1 LEU 44 3.878 -1.787 1.545 311 HD12 LEU 44 2HD1 LEU 44 5.520 -1.307 1.969 312 HD13 LEU 44 3HD1 LEU 44 5.077 -3.014 1.949 313 HD21 LEU 44 1HD2 LEU 44 7.356 -1.864 0.616 314 HD22 LEU 44 2HD2 LEU 44 6.652 -0.481 -0.222 315 HD23 LEU 44 3HD2 LEU 44 7.120 -1.919 -1.131 316 H THR 45 HN THR 45 5.964 -2.957 -3.839 317 HA THR 45 HA THR 45 6.816 -5.547 -4.810 318 HB THR 45 HB THR 45 7.623 -4.449 -6.734 319 HG1 THR 45 1HG THR 45 8.834 -2.795 -5.792 320 HG21 THR 45 1HG2 THR 45 5.491 -4.125 -7.315 321 HG22 THR 45 2HG2 THR 45 5.676 -2.457 -6.773 322 HG23 THR 45 3HG2 THR 45 5.044 -3.678 -5.670 323 H LYS 46 HN LYS 46 7.810 -4.424 -2.210 324 HA LYS 46 HA LYS 46 10.689 -4.328 -2.806 325 HB2 LYS 46 2HB LYS 46 9.004 -3.167 -0.633 326 HB3 LYS 46 3HB LYS 46 10.669 -3.592 -0.260 327 HG2 LYS 46 2HG LYS 46 10.583 -2.135 -2.720 328 HG3 LYS 46 3HG LYS 46 9.710 -1.248 -1.469 329 HD2 LYS 46 2HD LYS 46 12.304 -2.423 -0.677 330 HD3 LYS 46 3HD LYS 46 12.371 -1.084 -1.824 331 HE2 LYS 46 2HE LYS 46 11.032 0.283 -0.291 332 HE3 LYS 46 3HE LYS 46 10.981 -1.056 0.854 333 HZ1 LYS 46 1HZ LYS 46 13.215 0.707 0.154 334 HZ2 LYS 46 2HZ LYS 46 13.565 -0.882 0.614 335 HZ3 LYS 46 3HZ LYS 46 12.726 0.138 1.670 336 H CYS 47 HN CYS 47 8.253 -5.864 -0.762 337 HA CYS 47 HA CYS 47 10.200 -7.999 -0.187 338 HB2 CYS 47 2HB CYS 47 8.908 -8.341 1.964 339 HB3 CYS 47 3HB CYS 47 9.866 -6.866 1.880 340 H SER 48 HN SER 48 7.157 -7.127 -1.426 341 HA SER 48 HA SER 48 5.696 -8.416 -2.656 342 HB2 SER 48 2HB SER 48 7.742 -10.092 -2.663 343 HB3 SER 48 3HB SER 48 6.738 -10.977 -1.514 344 HG SER 48 HG SER 48 5.750 -11.704 -3.212 345 H HIS 49 HN HIS 49 5.375 -7.434 0.064 346 HA HIS 49 HA HIS 49 3.602 -9.444 1.255 347 HB2 HIS 49 2HB HIS 49 4.620 -6.831 2.390 348 HB3 HIS 49 3HB HIS 49 3.623 -8.001 3.250 349 HD2 HIS 49 2HD HIS 49 6.638 -9.324 1.170 350 HE1 HIS 49 1HE HIS 49 7.608 -9.638 5.288 351 HE2 HIS 49 2HE HIS 49 8.347 -10.137 2.933 352 H ALA 50 HN ALA 50 1.474 -9.301 1.028 353 HA ALA 50 HA ALA 50 0.344 -6.828 -0.075 354 HB1 ALA 50 1HB ALA 50 -1.183 -8.078 -1.176 355 HB2 ALA 50 2HB ALA 50 0.033 -9.338 -0.966 356 HB3 ALA 50 3HB ALA 50 -1.340 -9.244 0.137 357 H PHE 51 HN PHE 51 -1.852 -6.215 0.683 358 HA PHE 51 HA PHE 51 -3.091 -7.058 2.983 359 HB2 PHE 51 2HB PHE 51 -2.103 -4.924 4.371 360 HB3 PHE 51 3HB PHE 51 -1.568 -6.588 4.583 361 HD1 PHE 51 1HD PHE 51 -0.835 -4.497 1.638 362 HD2 PHE 51 2HD PHE 51 0.654 -6.151 5.266 363 HE1 PHE 51 1HE PHE 51 1.448 -3.840 0.997 364 HE2 PHE 51 2HE PHE 51 2.938 -5.497 4.632 365 HZ PHE 51 HZ PHE 51 3.338 -4.338 2.494 366 H HIS 52 HN HIS 52 -4.210 -5.024 4.154 367 HA HIS 52 HA HIS 52 -5.702 -3.740 2.081 368 HB2 HIS 52 2HB HIS 52 -5.756 -3.583 5.088 369 HB3 HIS 52 3HB HIS 52 -6.771 -2.544 4.093 370 HD2 HIS 52 2HD HIS 52 -7.552 -5.034 1.931 371 HE1 HIS 52 1HE HIS 52 -9.352 -6.674 5.406 372 HE2 HIS 52 2HE HIS 52 -9.173 -6.803 2.897 373 H LEU 53 HN LEU 53 -4.752 -2.168 0.939 374 HA LEU 53 HA LEU 53 -2.650 -0.576 1.472 375 HB2 LEU 53 2HB LEU 53 -5.192 0.060 0.014 376 HB3 LEU 53 3HB LEU 53 -3.867 1.219 0.103 377 HG LEU 53 HG LEU 53 -3.419 -1.551 -0.957 378 HD11 LEU 53 1HD1 LEU 53 -3.767 0.409 -3.034 379 HD12 LEU 53 2HD1 LEU 53 -5.239 0.245 -2.078 380 HD13 LEU 53 3HD1 LEU 53 -4.523 -1.173 -2.843 381 HD21 LEU 53 1HD2 LEU 53 -1.389 -0.475 -0.631 382 HD22 LEU 53 2HD2 LEU 53 -2.034 1.101 -1.096 383 HD23 LEU 53 3HD2 LEU 53 -1.746 -0.132 -2.324 384 H LEU 54 HN LEU 54 -6.006 0.244 2.335 385 HA LEU 54 HA LEU 54 -5.506 2.675 3.587 386 HB2 LEU 54 2HB LEU 54 -7.737 1.665 3.006 387 HB3 LEU 54 3HB LEU 54 -7.584 0.679 4.459 388 HG LEU 54 HG LEU 54 -8.779 2.322 5.410 389 HD11 LEU 54 1HD1 LEU 54 -6.089 3.668 5.236 390 HD12 LEU 54 2HD1 LEU 54 -6.673 2.609 6.520 391 HD13 LEU 54 3HD1 LEU 54 -7.406 4.195 6.285 392 HD21 LEU 54 1HD2 LEU 54 -9.523 3.492 3.561 393 HD22 LEU 54 2HD2 LEU 54 -7.895 3.953 3.064 394 HD23 LEU 54 3HD2 LEU 54 -8.648 4.734 4.457 395 H CYS 55 HN CYS 55 -6.234 -0.331 5.359 396 HA CYS 55 HA CYS 55 -5.570 0.305 7.866 397 HB2 CYS 55 2HB CYS 55 -4.890 -2.214 6.356 398 HB3 CYS 55 3HB CYS 55 -4.588 -2.053 8.084 399 H LEU 56 HN LEU 56 -3.202 -0.491 5.351 400 HA LEU 56 HA LEU 56 -0.923 -0.233 7.015 401 HB2 LEU 56 2HB LEU 56 -1.024 0.168 4.034 402 HB3 LEU 56 3HB LEU 56 0.365 -0.311 5.006 403 HG LEU 56 HG LEU 56 -2.049 -2.072 4.897 404 HD11 LEU 56 1HD1 LEU 56 0.154 -2.461 2.933 405 HD12 LEU 56 2HD1 LEU 56 -1.133 -1.315 2.557 406 HD13 LEU 56 3HD1 LEU 56 -1.523 -3.007 2.875 407 HD21 LEU 56 1HD2 LEU 56 0.197 -2.247 6.336 408 HD22 LEU 56 2HD2 LEU 56 0.738 -3.063 4.869 409 HD23 LEU 56 3HD2 LEU 56 -0.674 -3.661 5.742 410 H LEU 57 HN LEU 57 -2.224 1.949 4.509 411 HA LEU 57 HA LEU 57 -0.532 4.073 4.775 412 HB2 LEU 57 2HB LEU 57 -2.712 3.677 3.338 413 HB3 LEU 57 3HB LEU 57 -3.442 4.667 4.600 414 HG LEU 57 HG LEU 57 -1.052 5.930 3.635 415 HD11 LEU 57 1HD1 LEU 57 -3.049 5.803 1.450 416 HD12 LEU 57 2HD1 LEU 57 -1.946 4.438 1.627 417 HD13 LEU 57 3HD1 LEU 57 -1.306 6.064 1.383 418 HD21 LEU 57 1HD2 LEU 57 -3.029 7.559 2.895 419 HD22 LEU 57 2HD2 LEU 57 -2.501 7.405 4.570 420 HD23 LEU 57 3HD2 LEU 57 -3.928 6.530 4.011 421 H ALA 58 HN ALA 58 -2.904 2.980 7.044 422 HA ALA 58 HA ALA 58 -3.161 5.372 8.549 423 HB1 ALA 58 1HB ALA 58 -4.669 3.296 8.563 424 HB2 ALA 58 2HB ALA 58 -3.506 2.628 9.707 425 HB3 ALA 58 3HB ALA 58 -4.371 4.114 10.097 426 H MET 59 HN MET 59 -1.507 2.345 9.475 427 HA MET 59 HA MET 59 0.019 3.646 11.504 428 HB2 MET 59 2HB MET 59 1.301 1.374 11.389 429 HB3 MET 59 3HB MET 59 -0.348 1.416 12.000 430 HG2 MET 59 2HG MET 59 -1.136 0.174 10.319 431 HG3 MET 59 3HG MET 59 -0.152 1.002 9.114 432 HE1 MET 59 1HE MET 59 3.013 -1.020 8.804 433 HE2 MET 59 2HE MET 59 1.826 -0.005 7.985 434 HE3 MET 59 3HE MET 59 2.703 0.617 9.384 435 H TYR 60 HN TYR 60 0.362 3.395 8.154 436 HA TYR 60 HA TYR 60 3.103 3.171 7.766 437 HB2 TYR 60 2HB TYR 60 2.482 3.436 5.637 438 HB3 TYR 60 3HB TYR 60 0.854 3.811 6.191 439 HD1 TYR 60 1HD TYR 60 3.293 4.928 4.089 440 HD2 TYR 60 2HD TYR 60 0.807 6.387 7.219 441 HE1 TYR 60 1HE TYR 60 3.522 7.209 3.199 442 HE2 TYR 60 2HE TYR 60 1.029 8.673 6.336 443 HH TYR 60 HH TYR 60 3.234 9.428 3.722 444 H CYS 61 HN CYS 61 1.344 5.662 9.277 445 HA CYS 61 HA CYS 61 2.933 7.904 8.715 446 HB2 CYS 61 2HB CYS 61 0.722 8.027 9.807 447 HB3 CYS 61 3HB CYS 61 1.402 7.283 11.249 448 HG CYS 61 HG CYS 61 1.141 10.412 10.623 449 H ASN 62 HN ASN 62 3.752 5.081 10.302 450 HA ASN 62 HA ASN 62 5.730 6.346 12.044 451 HB2 ASN 62 2HB ASN 62 4.157 4.169 12.456 452 HB3 ASN 62 3HB ASN 62 5.631 3.397 11.877 453 HD21 ASN 62 1HD2 ASN 62 4.104 5.054 14.453 454 HD22 ASN 62 2HD2 ASN 62 5.416 4.982 15.575 455 H GLY 63 HN GLY 63 5.662 3.754 9.586 456 HA2 GLY 63 1HA GLY 63 8.429 4.521 8.885 457 HA3 GLY 63 2HA GLY 63 7.889 2.849 8.913 458 H ASN 64 HN ASN 64 9.014 3.500 6.655 459 HA ASN 64 HA ASN 64 8.760 4.044 4.420 460 HB2 ASN 64 2HB ASN 64 7.506 1.705 5.159 461 HB3 ASN 64 3HB ASN 64 6.254 2.535 4.239 462 HD21 ASN 64 1HD2 ASN 64 7.279 0.193 3.329 463 HD22 ASN 64 2HD2 ASN 64 8.241 0.475 1.921 464 H LYS 65 HN LYS 65 7.893 6.229 5.667 465 HA LYS 65 HA LYS 65 5.237 6.855 4.585 466 HB2 LYS 65 2HB LYS 65 6.007 7.307 7.050 467 HB3 LYS 65 3HB LYS 65 6.793 8.714 6.346 468 HG2 LYS 65 2HG LYS 65 4.478 9.210 5.319 469 HG3 LYS 65 3HG LYS 65 3.877 8.082 6.536 470 HD2 LYS 65 2HD LYS 65 3.870 9.767 7.990 471 HD3 LYS 65 3HD LYS 65 5.632 9.788 7.894 472 HE2 LYS 65 2HE LYS 65 3.938 11.232 5.883 473 HE3 LYS 65 3HE LYS 65 4.357 11.972 7.428 474 HZ1 LYS 65 1HZ LYS 65 6.708 10.955 6.384 475 HZ2 LYS 65 2HZ LYS 65 6.264 12.581 6.515 476 HZ3 LYS 65 3HZ LYS 65 5.933 11.726 5.094 477 H ASP 66 HN ASP 66 6.376 6.818 2.429 478 HA ASP 66 HA ASP 66 7.658 9.417 1.895 479 HB2 ASP 66 2HB ASP 66 8.518 6.812 1.249 480 HB3 ASP 66 3HB ASP 66 7.983 7.537 -0.265 481 H GLY 67 HN GLY 67 5.088 7.235 1.047 482 HA2 GLY 67 1HA GLY 67 3.258 8.950 0.113 483 HA3 GLY 67 2HA GLY 67 4.308 8.782 -1.286 484 H SER 68 HN SER 68 2.916 6.559 1.134 485 HA SER 68 HA SER 68 1.205 5.243 -0.664 486 HB2 SER 68 2HB SER 68 2.886 4.192 -1.836 487 HB3 SER 68 3HB SER 68 3.987 4.183 -0.458 488 HG SER 68 HG SER 68 2.577 2.183 -1.300 489 H LEU 69 HN LEU 69 3.245 3.339 1.432 490 HA LEU 69 HA LEU 69 1.715 3.643 3.802 491 HB2 LEU 69 2HB LEU 69 0.730 1.353 3.801 492 HB3 LEU 69 3HB LEU 69 -0.006 2.476 2.659 493 HG LEU 69 HG LEU 69 0.558 -0.034 2.017 494 HD11 LEU 69 1HD1 LEU 69 1.070 1.044 -0.373 495 HD12 LEU 69 2HD1 LEU 69 0.492 2.482 0.467 496 HD13 LEU 69 3HD1 LEU 69 -0.534 1.052 0.360 497 HD21 LEU 69 1HD2 LEU 69 2.667 -0.166 0.789 498 HD22 LEU 69 2HD2 LEU 69 2.941 0.146 2.504 499 HD23 LEU 69 3HD2 LEU 69 3.090 1.457 1.332 500 H GLN 70 HN GLN 70 2.092 1.360 5.129 501 HA GLN 70 HA GLN 70 4.956 0.748 4.820 502 HB2 GLN 70 2HB GLN 70 4.611 2.265 6.714 503 HB3 GLN 70 3HB GLN 70 3.441 1.149 7.405 504 HG2 GLN 70 2HG GLN 70 5.209 -0.538 7.636 505 HG3 GLN 70 3HG GLN 70 6.374 0.616 6.988 506 HE21 GLN 70 1HE2 GLN 70 7.194 -0.199 9.232 507 HE22 GLN 70 2HE2 GLN 70 6.840 0.858 10.551 508 H CYS 71 HN CYS 71 5.633 -1.319 5.689 509 HA CYS 71 HA CYS 71 3.493 -3.320 5.469 510 HB2 CYS 71 2HB CYS 71 5.198 -3.676 3.832 511 HB3 CYS 71 3HB CYS 71 6.475 -3.497 5.031 512 HA PRO 72 HA PRO 72 4.140 -3.639 9.925 513 HB2 PRO 72 2HB PRO 72 1.880 -5.076 10.366 514 HB3 PRO 72 3HB PRO 72 1.878 -3.320 10.169 515 HG2 PRO 72 2HG PRO 72 1.230 -5.453 8.170 516 HG3 PRO 72 3HG PRO 72 0.394 -3.920 8.481 517 HD2 PRO 72 2HD PRO 72 2.113 -4.248 6.415 518 HD3 PRO 72 3HD PRO 72 1.914 -2.697 7.255 519 H SER 73 HN SER 73 4.015 -5.993 7.453 520 HA SER 73 HA SER 73 4.231 -8.335 9.054 521 HB2 SER 73 2HB SER 73 4.099 -7.709 6.269 522 HB3 SER 73 3HB SER 73 5.490 -8.759 6.535 523 HG SER 73 HG SER 73 4.092 -10.221 7.588 524 H CYS 74 HN CYS 74 6.661 -6.574 7.123 525 HA CYS 74 HA CYS 74 8.708 -7.522 9.017 526 HB2 CYS 74 2HB CYS 74 10.254 -7.913 7.258 527 HB3 CYS 74 3HB CYS 74 8.749 -8.673 6.751 528 H LYS 75 HN LYS 75 7.205 -5.020 8.959 529 HA LYS 75 HA LYS 75 7.493 -2.746 8.956 530 HB2 LYS 75 2HB LYS 75 10.099 -3.784 10.066 531 HB3 LYS 75 3HB LYS 75 9.685 -2.075 10.061 532 HG2 LYS 75 2HG LYS 75 8.731 -2.415 12.033 533 HG3 LYS 75 3HG LYS 75 7.466 -3.298 11.176 534 HD2 LYS 75 2HD LYS 75 8.262 -5.330 11.813 535 HD3 LYS 75 3HD LYS 75 9.944 -4.792 11.809 536 HE2 LYS 75 2HE LYS 75 9.395 -3.460 13.880 537 HE3 LYS 75 3HE LYS 75 7.850 -4.309 13.919 538 HZ1 LYS 75 1HZ LYS 75 8.818 -6.237 14.550 539 HZ2 LYS 75 2HZ LYS 75 9.977 -5.186 15.194 540 HZ3 LYS 75 3HZ LYS 75 10.256 -5.945 13.708 541 H THR 76 HN THR 76 7.781 -3.597 6.408 542 HA THR 76 HA THR 76 10.228 -2.349 5.375 543 HB THR 76 HB THR 76 8.388 -4.427 4.355 544 HG1 THR 76 1HG THR 76 10.713 -4.571 5.064 545 HG21 THR 76 1HG2 THR 76 7.920 -2.902 2.621 546 HG22 THR 76 2HG2 THR 76 9.217 -3.918 1.991 547 HG23 THR 76 3HG2 THR 76 9.577 -2.300 2.592 Start of MODEL 4 1 H1 ASN 1 HN ASN 1 4.969 5.025 -6.711 2 HA ASN 1 HA ASN 1 4.861 4.479 -3.845 3 HB2 ASN 1 2HB ASN 1 3.303 2.926 -5.879 4 HB3 ASN 1 3HB ASN 1 2.865 3.354 -4.228 5 HD21 ASN 1 1HD2 ASN 1 1.248 3.682 -6.537 6 HD22 ASN 1 2HD2 ASN 1 0.947 5.373 -6.726 7 H TYR 2 HN TYR 2 4.804 2.109 -3.219 8 HA TYR 2 HA TYR 2 7.036 0.742 -4.560 9 HB2 TYR 2 2HB TYR 2 6.198 -0.242 -1.916 10 HB3 TYR 2 3HB TYR 2 7.811 0.094 -2.536 11 HD1 TYR 2 1HD TYR 2 5.062 1.321 -0.549 12 HD2 TYR 2 2HD TYR 2 8.654 2.458 -2.525 13 HE1 TYR 2 1HE TYR 2 5.137 3.385 0.787 14 HE2 TYR 2 2HE TYR 2 8.741 4.524 -1.194 15 HH TYR 2 HH TYR 2 6.095 5.507 0.845 16 H THR 3 HN THR 3 3.696 0.541 -3.841 17 HA THR 3 HA THR 3 3.649 -2.271 -4.726 18 HB THR 3 HB THR 3 2.279 -2.784 -3.048 19 HG1 THR 3 1HG THR 3 0.710 -0.479 -3.642 20 HG21 THR 3 1HG2 THR 3 2.375 0.097 -2.159 21 HG22 THR 3 2HG2 THR 3 3.681 -1.057 -1.883 22 HG23 THR 3 3HG2 THR 3 2.095 -1.329 -1.160 23 H GLU 4 HN GLU 4 1.469 -2.847 -5.757 24 HA GLU 4 HA GLU 4 0.372 -0.637 -7.333 25 HB2 GLU 4 2HB GLU 4 2.056 -1.520 -8.791 26 HB3 GLU 4 3HB GLU 4 1.557 -3.173 -8.461 27 HG2 GLU 4 2HG GLU 4 -0.142 -3.101 -9.933 28 HG3 GLU 4 3HG GLU 4 -0.519 -1.414 -9.581 29 H GLU 5 HN GLU 5 -1.760 -0.671 -7.158 30 HA GLU 5 HA GLU 5 -3.365 -2.337 -5.830 31 HB2 GLU 5 2HB GLU 5 -3.831 -0.242 -7.478 32 HB3 GLU 5 3HB GLU 5 -4.525 -1.546 -8.433 33 HG2 GLU 5 2HG GLU 5 -6.093 -2.075 -6.769 34 HG3 GLU 5 3HG GLU 5 -5.242 -1.127 -5.551 35 H LEU 6 HN LEU 6 -4.520 -4.225 -6.137 36 HA LEU 6 HA LEU 6 -3.537 -5.934 -8.316 37 HB2 LEU 6 2HB LEU 6 -4.738 -6.610 -5.639 38 HB3 LEU 6 3HB LEU 6 -4.375 -7.806 -6.881 39 HG LEU 6 HG LEU 6 -2.506 -6.243 -5.148 40 HD11 LEU 6 1HD1 LEU 6 -3.433 -8.870 -5.218 41 HD12 LEU 6 2HD1 LEU 6 -2.098 -8.235 -4.257 42 HD13 LEU 6 3HD1 LEU 6 -1.785 -8.945 -5.841 43 HD21 LEU 6 1HD2 LEU 6 -1.988 -7.247 -7.919 44 HD22 LEU 6 2HD2 LEU 6 -0.700 -7.233 -6.715 45 HD23 LEU 6 3HD2 LEU 6 -1.498 -5.727 -7.170 46 H LYS 7 HN LYS 7 -4.874 -6.007 -9.994 47 HA LYS 7 HA LYS 7 -7.463 -5.191 -10.195 48 HB2 LYS 7 2HB LYS 7 -5.721 -6.973 -11.725 49 HB3 LYS 7 3HB LYS 7 -7.426 -7.361 -11.905 50 HG2 LYS 7 2HG LYS 7 -6.164 -4.675 -12.413 51 HG3 LYS 7 3HG LYS 7 -6.684 -5.833 -13.640 52 HD2 LYS 7 2HD LYS 7 -8.996 -5.660 -12.538 53 HD3 LYS 7 3HD LYS 7 -8.363 -4.214 -11.749 54 HE2 LYS 7 2HE LYS 7 -8.685 -4.726 -14.698 55 HE3 LYS 7 3HE LYS 7 -9.491 -3.503 -13.717 56 HZ1 LYS 7 1HZ LYS 7 -7.115 -2.665 -13.292 57 HZ2 LYS 7 2HZ LYS 7 -7.836 -2.322 -14.783 58 HZ3 LYS 7 3HZ LYS 7 -6.699 -3.569 -14.660 59 H VAL 8 HN VAL 8 -6.311 -8.024 -8.622 60 HA VAL 8 HA VAL 8 -9.060 -8.727 -7.905 61 HB VAL 8 HB VAL 8 -8.123 -11.214 -8.059 62 HG11 VAL 8 1HG1 VAL 8 -10.120 -10.019 -9.195 63 HG12 VAL 8 2HG1 VAL 8 -9.066 -9.966 -10.610 64 HG13 VAL 8 3HG1 VAL 8 -9.506 -11.518 -9.894 65 HG21 VAL 8 1HG2 VAL 8 -5.943 -10.200 -8.999 66 HG22 VAL 8 2HG2 VAL 8 -6.620 -11.626 -9.785 67 HG23 VAL 8 3HG2 VAL 8 -6.852 -10.031 -10.501 68 HA PRO 9 HA PRO 9 -7.482 -9.314 -3.852 69 HB2 PRO 9 2HB PRO 9 -8.962 -11.403 -2.949 70 HB3 PRO 9 3HB PRO 9 -9.631 -9.784 -3.188 71 HG2 PRO 9 2HG PRO 9 -9.796 -12.183 -4.971 72 HG3 PRO 9 3HG PRO 9 -11.062 -11.018 -4.543 73 HD2 PRO 9 2HD PRO 9 -9.718 -10.914 -6.892 74 HD3 PRO 9 3HD PRO 9 -10.317 -9.458 -6.068 75 HA PRO 10 HA PRO 10 -4.291 -12.387 -4.383 76 HB2 PRO 10 2HB PRO 10 -2.959 -11.812 -2.088 77 HB3 PRO 10 3HB PRO 10 -2.848 -10.810 -3.541 78 HG2 PRO 10 2HG PRO 10 -4.513 -10.409 -1.084 79 HG3 PRO 10 3HG PRO 10 -3.572 -9.220 -2.006 80 HD2 PRO 10 2HD PRO 10 -6.254 -9.476 -2.270 81 HD3 PRO 10 3HD PRO 10 -5.204 -8.989 -3.616 82 H ASP 11 HN ASP 11 -6.144 -11.975 -1.400 83 HA ASP 11 HA ASP 11 -7.200 -13.580 -0.131 84 HB2 ASP 11 2HB ASP 11 -6.678 -15.016 -2.396 85 HB3 ASP 11 3HB ASP 11 -5.751 -15.911 -1.195 86 H GLU 12 HN GLU 12 -4.370 -12.419 0.091 87 HA GLU 12 HA GLU 12 -2.921 -14.346 1.650 88 HB2 GLU 12 2HB GLU 12 -2.127 -12.192 0.274 89 HB3 GLU 12 3HB GLU 12 -2.288 -11.450 1.860 90 HG2 GLU 12 2HG GLU 12 -0.906 -13.840 2.287 91 HG3 GLU 12 3HG GLU 12 -0.204 -13.132 0.833 92 H ASP 13 HN ASP 13 -5.205 -11.798 2.281 93 HA ASP 13 HA ASP 13 -6.466 -11.450 4.176 94 HB2 ASP 13 2HB ASP 13 -5.731 -13.901 4.721 95 HB3 ASP 13 3HB ASP 13 -4.613 -13.122 5.836 96 H CYS 14 HN CYS 14 -6.289 -9.494 5.024 97 HA CYS 14 HA CYS 14 -4.044 -7.957 5.203 98 HB2 CYS 14 2HB CYS 14 -6.421 -7.191 5.505 99 HB3 CYS 14 3HB CYS 14 -6.341 -7.782 7.161 100 H ILE 15 HN ILE 15 -2.889 -7.116 7.118 101 HA ILE 15 HA ILE 15 -2.431 -9.240 9.111 102 HB ILE 15 HB ILE 15 -0.141 -7.567 8.939 103 HG12 ILE 15 2HG1 ILE 15 -1.144 -8.601 6.284 104 HG13 ILE 15 3HG1 ILE 15 -0.744 -6.939 6.703 105 HG21 ILE 15 1HG2 ILE 15 -0.392 -10.386 7.928 106 HG22 ILE 15 2HG2 ILE 15 1.010 -9.604 8.655 107 HG23 ILE 15 3HG2 ILE 15 -0.397 -9.987 9.646 108 HD11 ILE 15 1HD1 ILE 15 0.930 -8.152 5.281 109 HD12 ILE 15 2HD1 ILE 15 1.569 -7.420 6.753 110 HD13 ILE 15 3HD1 ILE 15 1.280 -9.157 6.688 111 H ILE 16 HN ILE 16 -3.218 -5.978 8.544 112 HA ILE 16 HA ILE 16 -2.352 -4.977 11.104 113 HB ILE 16 HB ILE 16 -4.068 -3.783 8.933 114 HG12 ILE 16 2HG1 ILE 16 -1.381 -2.872 9.959 115 HG13 ILE 16 3HG1 ILE 16 -1.544 -4.049 8.660 116 HG21 ILE 16 1HG2 ILE 16 -3.902 -1.663 10.235 117 HG22 ILE 16 2HG2 ILE 16 -4.908 -2.899 10.991 118 HG23 ILE 16 3HG2 ILE 16 -3.275 -2.604 11.589 119 HD11 ILE 16 1HD1 ILE 16 -1.159 -1.774 7.838 120 HD12 ILE 16 2HD1 ILE 16 -2.707 -2.428 7.300 121 HD13 ILE 16 3HD1 ILE 16 -2.655 -1.254 8.613 122 H CYS 17 HN CYS 17 -5.608 -4.983 9.658 123 HA CYS 17 HA CYS 17 -6.811 -5.091 12.282 124 HB2 CYS 17 2HB CYS 17 -8.914 -4.812 11.141 125 HB3 CYS 17 3HB CYS 17 -7.745 -3.710 10.421 126 H MET 18 HN MET 18 -5.373 -7.392 10.594 127 HA MET 18 HA MET 18 -5.576 -9.652 10.332 128 HB2 MET 18 2HB MET 18 -7.193 -9.583 12.870 129 HB3 MET 18 3HB MET 18 -6.082 -10.829 12.316 130 HG2 MET 18 2HG MET 18 -5.289 -8.054 13.172 131 HG3 MET 18 3HG MET 18 -5.183 -9.501 14.173 132 HE1 MET 18 1HE MET 18 -3.830 -11.240 14.044 133 HE2 MET 18 2HE MET 18 -2.470 -11.559 12.966 134 HE3 MET 18 3HE MET 18 -2.292 -10.413 14.297 135 H GLU 19 HN GLU 19 -7.178 -8.868 8.553 136 HA GLU 19 HA GLU 19 -9.630 -10.432 8.909 137 HB2 GLU 19 2HB GLU 19 -9.469 -7.597 7.893 138 HB3 GLU 19 3HB GLU 19 -10.846 -8.642 7.577 139 HG2 GLU 19 2HG GLU 19 -9.873 -7.620 10.226 140 HG3 GLU 19 3HG GLU 19 -11.412 -7.292 9.430 141 H LYS 20 HN LYS 20 -10.788 -10.527 6.640 142 HA LYS 20 HA LYS 20 -8.946 -11.818 4.883 143 HB2 LYS 20 2HB LYS 20 -11.879 -11.363 4.968 144 HB3 LYS 20 3HB LYS 20 -11.174 -11.689 3.391 145 HG2 LYS 20 2HG LYS 20 -10.050 -13.694 4.623 146 HG3 LYS 20 3HG LYS 20 -11.353 -13.451 5.788 147 HD2 LYS 20 2HD LYS 20 -11.919 -13.661 2.849 148 HD3 LYS 20 3HD LYS 20 -11.728 -15.105 3.846 149 HE2 LYS 20 2HE LYS 20 -13.982 -14.817 4.039 150 HE3 LYS 20 3HE LYS 20 -13.450 -13.819 5.391 151 HZ1 LYS 20 1HZ LYS 20 -14.904 -13.051 3.107 152 HZ2 LYS 20 2HZ LYS 20 -13.438 -12.208 3.126 153 HZ3 LYS 20 3HZ LYS 20 -14.482 -12.119 4.454 154 H LEU 21 HN LEU 21 -7.977 -11.086 3.082 155 HA LEU 21 HA LEU 21 -7.871 -8.301 2.566 156 HB2 LEU 21 2HB LEU 21 -6.696 -10.751 1.392 157 HB3 LEU 21 3HB LEU 21 -6.758 -9.325 0.356 158 HG LEU 21 HG LEU 21 -5.318 -9.614 2.989 159 HD11 LEU 21 1HD1 LEU 21 -3.331 -9.320 1.715 160 HD12 LEU 21 2HD1 LEU 21 -4.248 -8.948 0.255 161 HD13 LEU 21 3HD1 LEU 21 -4.280 -10.579 0.923 162 HD21 LEU 21 1HD2 LEU 21 -4.592 -7.196 1.871 163 HD22 LEU 21 2HD2 LEU 21 -5.649 -7.428 3.264 164 HD23 LEU 21 3HD2 LEU 21 -6.341 -7.248 1.650 165 H SER 22 HN SER 22 -10.157 -10.583 1.739 166 HA SER 22 HA SER 22 -10.872 -9.364 -0.810 167 HB2 SER 22 2HB SER 22 -10.960 -11.877 -0.372 168 HB3 SER 22 3HB SER 22 -12.376 -11.553 0.627 169 HG SER 22 HG SER 22 -12.568 -12.052 -1.793 170 H THR 23 HN THR 23 -11.956 -9.508 2.512 171 HA THR 23 HA THR 23 -14.522 -8.391 2.144 172 HB THR 23 HB THR 23 -12.686 -8.551 4.521 173 HG1 THR 23 1HG THR 23 -15.299 -9.596 4.315 174 HG21 THR 23 1HG2 THR 23 -13.742 -6.778 5.403 175 HG22 THR 23 2HG2 THR 23 -15.141 -7.842 5.541 176 HG23 THR 23 3HG2 THR 23 -14.976 -6.779 4.145 177 H ALA 24 HN ALA 24 -12.277 -6.628 4.159 178 HA ALA 24 HA ALA 24 -11.620 -4.494 2.521 179 HB1 ALA 24 1HB ALA 24 -13.479 -3.325 2.227 180 HB2 ALA 24 2HB ALA 24 -14.390 -4.486 3.193 181 HB3 ALA 24 3HB ALA 24 -13.608 -3.111 3.973 182 H SER 25 HN SER 25 -10.696 -2.700 3.674 183 HA SER 25 HA SER 25 -9.186 -3.320 5.856 184 HB2 SER 25 2HB SER 25 -8.580 -1.347 4.748 185 HB3 SER 25 3HB SER 25 -10.210 -0.683 4.840 186 HG SER 25 HG SER 25 -9.805 0.059 6.779 187 H GLY 26 HN GLY 26 -9.322 -3.083 8.077 188 HA2 GLY 26 1HA GLY 26 -12.048 -3.086 9.127 189 HA3 GLY 26 2HA GLY 26 -10.601 -3.595 9.988 190 H TYR 27 HN TYR 27 -9.437 -0.928 8.838 191 HA TYR 27 HA TYR 27 -10.203 0.632 11.179 192 HB2 TYR 27 2HB TYR 27 -8.006 1.022 9.139 193 HB3 TYR 27 3HB TYR 27 -8.289 2.088 10.510 194 HD1 TYR 27 1HD TYR 27 -5.687 1.164 10.472 195 HD2 TYR 27 2HD TYR 27 -9.130 -0.983 11.753 196 HE1 TYR 27 1HE TYR 27 -4.264 -0.268 11.878 197 HE2 TYR 27 2HE TYR 27 -7.716 -2.419 13.163 198 HH TYR 27 HH TYR 27 -5.563 -2.417 14.220 199 H SER 28 HN SER 28 -11.366 0.297 8.159 200 HA SER 28 HA SER 28 -11.569 2.811 7.033 201 HB2 SER 28 2HB SER 28 -12.379 0.940 5.795 202 HB3 SER 28 3HB SER 28 -13.527 0.510 7.063 203 HG SER 28 HG SER 28 -13.897 3.051 6.185 204 H ASP 29 HN ASP 29 -12.949 1.653 9.943 205 HA ASP 29 HA ASP 29 -15.253 3.189 10.191 206 HB2 ASP 29 2HB ASP 29 -13.384 1.856 12.051 207 HB3 ASP 29 3HB ASP 29 -14.345 3.157 12.750 208 H VAL 30 HN VAL 30 -11.901 4.016 11.006 209 HA VAL 30 HA VAL 30 -12.743 6.811 11.387 210 HB VAL 30 HB VAL 30 -10.295 5.352 12.380 211 HG11 VAL 30 1HG1 VAL 30 -9.664 7.594 11.668 212 HG12 VAL 30 2HG1 VAL 30 -10.975 8.280 12.630 213 HG13 VAL 30 3HG1 VAL 30 -9.630 7.463 13.425 214 HG21 VAL 30 1HG2 VAL 30 -11.257 5.322 14.428 215 HG22 VAL 30 2HG2 VAL 30 -12.089 6.858 14.182 216 HG23 VAL 30 3HG2 VAL 30 -12.743 5.378 13.479 217 H THR 31 HN THR 31 -9.860 5.045 10.240 218 HA THR 31 HA THR 31 -8.633 7.032 8.821 219 HB THR 31 HB THR 31 -7.702 5.263 7.335 220 HG1 THR 31 1HG THR 31 -8.487 3.056 8.360 221 HG21 THR 31 1HG2 THR 31 -6.723 5.725 9.550 222 HG22 THR 31 2HG2 THR 31 -6.550 4.032 9.088 223 HG23 THR 31 3HG2 THR 31 -7.781 4.505 10.258 224 H ASP 32 HN ASP 32 -10.244 4.529 6.918 225 HA ASP 32 HA ASP 32 -11.786 4.664 5.223 226 HB2 ASP 32 2HB ASP 32 -12.595 6.735 6.670 227 HB3 ASP 32 3HB ASP 32 -11.911 7.645 5.327 228 H SER 33 HN SER 33 -8.847 6.295 5.420 229 HA SER 33 HA SER 33 -7.287 6.951 3.898 230 HB2 SER 33 2HB SER 33 -6.877 5.155 2.625 231 HB3 SER 33 3HB SER 33 -8.528 4.586 2.873 232 HG SER 33 HG SER 33 -7.715 6.456 0.898 233 H LYS 34 HN LYS 34 -6.962 8.020 1.718 234 HA LYS 34 HA LYS 34 -9.328 9.355 0.669 235 HB2 LYS 34 2HB LYS 34 -7.950 10.618 2.645 236 HB3 LYS 34 3HB LYS 34 -7.101 11.210 1.224 237 HG2 LYS 34 2HG LYS 34 -9.815 11.425 0.606 238 HG3 LYS 34 3HG LYS 34 -9.662 11.976 2.276 239 HD2 LYS 34 2HD LYS 34 -7.659 12.951 0.310 240 HD3 LYS 34 3HD LYS 34 -9.296 13.605 0.206 241 HE2 LYS 34 2HE LYS 34 -8.847 14.977 1.892 242 HE3 LYS 34 3HE LYS 34 -8.549 13.590 2.938 243 HZ1 LYS 34 1HZ LYS 34 -6.623 14.967 2.945 244 HZ2 LYS 34 2HZ LYS 34 -6.563 15.013 1.255 245 HZ3 LYS 34 3HZ LYS 34 -6.241 13.568 2.073 246 H ALA 35 HN ALA 35 -7.995 7.491 -0.696 247 HA ALA 35 HA ALA 35 -7.368 8.609 -3.110 248 HB1 ALA 35 1HB ALA 35 -5.164 8.868 -1.240 249 HB2 ALA 35 2HB ALA 35 -4.705 7.997 -2.704 250 HB3 ALA 35 3HB ALA 35 -5.400 9.613 -2.821 251 H LEU 36 HN LEU 36 -6.747 6.066 -0.812 252 HA LEU 36 HA LEU 36 -6.137 4.143 -2.915 253 HB2 LEU 36 2HB LEU 36 -6.506 3.330 -0.081 254 HB3 LEU 36 3HB LEU 36 -5.360 2.739 -1.283 255 HG LEU 36 HG LEU 36 -5.136 5.420 0.079 256 HD11 LEU 36 1HD1 LEU 36 -4.651 4.172 1.889 257 HD12 LEU 36 2HD1 LEU 36 -3.100 3.964 1.077 258 HD13 LEU 36 3HD1 LEU 36 -4.341 2.718 0.941 259 HD21 LEU 36 1HD2 LEU 36 -3.826 5.657 -1.766 260 HD22 LEU 36 2HD2 LEU 36 -3.549 3.922 -1.932 261 HD23 LEU 36 3HD2 LEU 36 -2.669 4.844 -0.712 262 H GLY 37 HN GLY 37 -8.420 4.275 -0.167 263 HA2 GLY 37 1HA GLY 37 -10.804 4.030 -0.574 264 HA3 GLY 37 2HA GLY 37 -10.407 2.956 -1.906 265 H SER 38 HN SER 38 -12.018 2.699 0.673 266 HA SER 38 HA SER 38 -10.638 0.717 2.216 267 HB2 SER 38 2HB SER 38 -13.425 1.832 2.206 268 HB3 SER 38 3HB SER 38 -13.060 0.380 3.138 269 HG SER 38 HG SER 38 -12.728 2.780 3.961 270 H LEU 39 HN LEU 39 -10.440 -0.155 -0.317 271 HA LEU 39 HA LEU 39 -11.430 -2.763 -0.217 272 HB2 LEU 39 2HB LEU 39 -13.450 -1.096 -0.911 273 HB3 LEU 39 3HB LEU 39 -12.796 -1.502 -2.498 274 HG LEU 39 HG LEU 39 -13.230 -3.833 -0.789 275 HD11 LEU 39 1HD1 LEU 39 -15.479 -3.757 -0.470 276 HD12 LEU 39 2HD1 LEU 39 -15.752 -2.669 -1.830 277 HD13 LEU 39 3HD1 LEU 39 -15.121 -2.038 -0.309 278 HD21 LEU 39 1HD2 LEU 39 -14.416 -4.568 -2.880 279 HD22 LEU 39 2HD2 LEU 39 -12.719 -4.133 -3.089 280 HD23 LEU 39 3HD2 LEU 39 -13.987 -3.010 -3.584 281 H ALA 40 HN ALA 40 -8.986 -1.521 -0.751 282 HA ALA 40 HA ALA 40 -8.495 -2.473 -3.490 283 HB1 ALA 40 1HB ALA 40 -8.193 -0.301 -4.018 284 HB2 ALA 40 2HB ALA 40 -7.892 0.177 -2.346 285 HB3 ALA 40 3HB ALA 40 -6.605 -0.568 -3.296 286 H VAL 41 HN VAL 41 -7.002 -4.013 -3.556 287 HA VAL 41 HA VAL 41 -5.293 -4.427 -1.214 288 HB VAL 41 HB VAL 41 -5.338 -6.353 -3.489 289 HG11 VAL 41 1HG1 VAL 41 -5.432 -7.887 -1.376 290 HG12 VAL 41 2HG1 VAL 41 -3.926 -7.083 -1.822 291 HG13 VAL 41 3HG1 VAL 41 -4.932 -6.421 -0.533 292 HG21 VAL 41 1HG2 VAL 41 -7.688 -5.550 -1.953 293 HG22 VAL 41 2HG2 VAL 41 -7.574 -6.481 -3.446 294 HG23 VAL 41 3HG2 VAL 41 -7.359 -7.281 -1.888 295 H GLY 42 HN GLY 42 -3.126 -4.219 -1.258 296 HA2 GLY 42 1HA GLY 42 -1.821 -3.838 -3.874 297 HA3 GLY 42 2HA GLY 42 -1.570 -2.670 -2.584 298 H HIS 43 HN HIS 43 0.073 -4.850 -4.109 299 HA HIS 43 HA HIS 43 1.222 -6.139 -1.727 300 HB2 HIS 43 2HB HIS 43 1.362 -8.002 -2.954 301 HB3 HIS 43 3HB HIS 43 0.548 -7.162 -4.270 302 HD1 HIS 43 1HD HIS 43 3.819 -8.522 -3.239 303 HD2 HIS 43 2HD HIS 43 2.317 -6.077 -6.243 304 HE1 HIS 43 1HE HIS 43 5.632 -8.402 -4.977 305 H LEU 44 HN LEU 44 3.000 -5.239 -0.946 306 HA LEU 44 HA LEU 44 4.431 -3.180 -2.187 307 HB2 LEU 44 2HB LEU 44 4.363 -4.297 0.309 308 HB3 LEU 44 3HB LEU 44 5.960 -4.772 -0.264 309 HG LEU 44 HG LEU 44 5.960 -2.127 -0.871 310 HD11 LEU 44 1HD1 LEU 44 4.720 -0.846 0.504 311 HD12 LEU 44 2HD1 LEU 44 4.842 -1.981 1.849 312 HD13 LEU 44 3HD1 LEU 44 3.680 -2.270 0.554 313 HD21 LEU 44 1HD2 LEU 44 7.654 -2.021 0.627 314 HD22 LEU 44 2HD2 LEU 44 7.451 -3.773 0.618 315 HD23 LEU 44 3HD2 LEU 44 6.724 -2.807 1.903 316 H THR 45 HN THR 45 5.684 -3.290 -3.917 317 HA THR 45 HA THR 45 6.755 -5.765 -4.880 318 HB THR 45 HB THR 45 7.582 -4.541 -6.749 319 HG1 THR 45 1HG THR 45 7.737 -2.274 -6.718 320 HG21 THR 45 1HG2 THR 45 5.606 -3.166 -7.416 321 HG22 THR 45 2HG2 THR 45 4.986 -3.350 -5.775 322 HG23 THR 45 3HG2 THR 45 5.190 -4.768 -6.804 323 H LYS 46 HN LYS 46 7.723 -3.953 -2.383 324 HA LYS 46 HA LYS 46 10.574 -3.938 -2.920 325 HB2 LYS 46 2HB LYS 46 9.430 -2.120 -1.625 326 HB3 LYS 46 3HB LYS 46 9.136 -3.287 -0.343 327 HG2 LYS 46 2HG LYS 46 11.042 -2.397 0.469 328 HG3 LYS 46 3HG LYS 46 11.774 -3.602 -0.593 329 HD2 LYS 46 2HD LYS 46 12.922 -1.843 -1.402 330 HD3 LYS 46 3HD LYS 46 11.442 -1.533 -2.314 331 HE2 LYS 46 2HE LYS 46 10.677 -0.021 -0.548 332 HE3 LYS 46 3HE LYS 46 12.152 -0.335 0.364 333 HZ1 LYS 46 1HZ LYS 46 11.754 1.292 -2.025 334 HZ2 LYS 46 2HZ LYS 46 13.212 0.442 -1.917 335 HZ3 LYS 46 3HZ LYS 46 12.782 1.541 -0.704 336 H CYS 47 HN CYS 47 8.287 -5.646 -0.826 337 HA CYS 47 HA CYS 47 10.373 -7.671 -0.347 338 HB2 CYS 47 2HB CYS 47 9.180 -8.101 1.850 339 HB3 CYS 47 3HB CYS 47 10.063 -6.580 1.743 340 H SER 48 HN SER 48 7.241 -6.965 -1.461 341 HA SER 48 HA SER 48 5.808 -8.328 -2.643 342 HB2 SER 48 2HB SER 48 7.926 -9.879 -2.777 343 HB3 SER 48 3HB SER 48 7.071 -10.818 -1.554 344 HG SER 48 HG SER 48 5.255 -10.786 -3.062 345 H HIS 49 HN HIS 49 5.236 -7.267 -0.157 346 HA HIS 49 HA HIS 49 3.708 -9.415 1.159 347 HB2 HIS 49 2HB HIS 49 4.646 -6.777 2.306 348 HB3 HIS 49 3HB HIS 49 3.713 -7.993 3.172 349 HD2 HIS 49 2HD HIS 49 6.823 -9.003 1.013 350 HE1 HIS 49 1HE HIS 49 7.728 -9.628 5.112 351 HE2 HIS 49 2HE HIS 49 8.548 -9.860 2.741 352 H ALA 50 HN ALA 50 1.569 -9.352 0.992 353 HA ALA 50 HA ALA 50 0.315 -6.961 -0.132 354 HB1 ALA 50 1HB ALA 50 -1.618 -8.420 -0.547 355 HB2 ALA 50 2HB ALA 50 -0.139 -9.053 -1.271 356 HB3 ALA 50 3HB ALA 50 -0.761 -9.756 0.221 357 H PHE 51 HN PHE 51 -1.829 -6.318 0.713 358 HA PHE 51 HA PHE 51 -2.952 -7.045 3.106 359 HB2 PHE 51 2HB PHE 51 -1.903 -4.859 4.355 360 HB3 PHE 51 3HB PHE 51 -1.346 -6.512 4.604 361 HD1 PHE 51 1HD PHE 51 -0.775 -4.551 1.538 362 HD2 PHE 51 2HD PHE 51 0.902 -6.017 5.164 363 HE1 PHE 51 1HE PHE 51 1.467 -3.907 0.757 364 HE2 PHE 51 2HE PHE 51 3.146 -5.376 4.390 365 HZ PHE 51 HZ PHE 51 3.432 -4.318 2.184 366 H HIS 52 HN HIS 52 -4.275 -5.222 4.119 367 HA HIS 52 HA HIS 52 -5.741 -3.935 2.080 368 HB2 HIS 52 2HB HIS 52 -5.750 -3.700 5.083 369 HB3 HIS 52 3HB HIS 52 -6.803 -2.711 4.077 370 HD2 HIS 52 2HD HIS 52 -7.673 -5.175 1.992 371 HE1 HIS 52 1HE HIS 52 -9.188 -6.933 5.543 372 HE2 HIS 52 2HE HIS 52 -9.181 -7.005 3.025 373 H LEU 53 HN LEU 53 -4.791 -2.400 0.875 374 HA LEU 53 HA LEU 53 -2.734 -0.739 1.359 375 HB2 LEU 53 2HB LEU 53 -5.262 -0.315 -0.175 376 HB3 LEU 53 3HB LEU 53 -4.090 0.995 -0.043 377 HG LEU 53 HG LEU 53 -3.572 -1.727 -1.242 378 HD11 LEU 53 1HD1 LEU 53 -3.384 0.748 -2.837 379 HD12 LEU 53 2HD1 LEU 53 -5.007 0.225 -2.392 380 HD13 LEU 53 3HD1 LEU 53 -3.947 -0.860 -3.292 381 HD21 LEU 53 1HD2 LEU 53 -1.542 -0.157 -2.062 382 HD22 LEU 53 2HD2 LEU 53 -1.461 -1.207 -0.648 383 HD23 LEU 53 3HD2 LEU 53 -1.823 0.509 -0.453 384 H LEU 54 HN LEU 54 -6.116 0.071 2.143 385 HA LEU 54 HA LEU 54 -5.724 2.547 3.289 386 HB2 LEU 54 2HB LEU 54 -7.935 1.837 2.948 387 HB3 LEU 54 3HB LEU 54 -7.691 0.359 3.877 388 HG LEU 54 HG LEU 54 -7.929 1.446 5.910 389 HD11 LEU 54 1HD1 LEU 54 -6.609 3.248 6.119 390 HD12 LEU 54 2HD1 LEU 54 -8.061 4.141 5.666 391 HD13 LEU 54 3HD1 LEU 54 -6.850 3.749 4.444 392 HD21 LEU 54 1HD2 LEU 54 -9.896 3.049 5.589 393 HD22 LEU 54 2HD2 LEU 54 -10.082 1.397 4.998 394 HD23 LEU 54 3HD2 LEU 54 -9.730 2.705 3.867 395 H CYS 55 HN CYS 55 -6.208 -0.394 5.245 396 HA CYS 55 HA CYS 55 -5.490 0.454 7.687 397 HB2 CYS 55 2HB CYS 55 -4.562 -2.146 6.451 398 HB3 CYS 55 3HB CYS 55 -4.651 -1.809 8.176 399 H LEU 56 HN LEU 56 -3.195 -0.491 5.153 400 HA LEU 56 HA LEU 56 -0.854 -0.094 6.668 401 HB2 LEU 56 2HB LEU 56 -1.139 0.225 3.688 402 HB3 LEU 56 3HB LEU 56 0.329 -0.159 4.584 403 HG LEU 56 HG LEU 56 -2.033 -2.012 4.591 404 HD11 LEU 56 1HD1 LEU 56 -1.440 -3.008 2.626 405 HD12 LEU 56 2HD1 LEU 56 0.232 -2.455 2.719 406 HD13 LEU 56 3HD1 LEU 56 -1.043 -1.332 2.245 407 HD21 LEU 56 1HD2 LEU 56 0.848 -2.777 4.753 408 HD22 LEU 56 2HD2 LEU 56 -0.570 -3.585 5.421 409 HD23 LEU 56 3HD2 LEU 56 0.041 -2.109 6.172 410 H LEU 57 HN LEU 57 -2.561 2.039 4.394 411 HA LEU 57 HA LEU 57 -0.925 4.201 4.285 412 HB2 LEU 57 2HB LEU 57 -3.086 4.032 3.141 413 HB3 LEU 57 3HB LEU 57 -3.913 4.283 4.677 414 HG LEU 57 HG LEU 57 -2.671 6.539 4.735 415 HD11 LEU 57 1HD1 LEU 57 -1.176 5.851 2.808 416 HD12 LEU 57 2HD1 LEU 57 -1.915 7.448 2.700 417 HD13 LEU 57 3HD1 LEU 57 -2.574 6.108 1.763 418 HD21 LEU 57 1HD2 LEU 57 -5.094 5.681 3.395 419 HD22 LEU 57 2HD2 LEU 57 -4.439 7.164 2.698 420 HD23 LEU 57 3HD2 LEU 57 -4.807 7.086 4.423 421 H ALA 58 HN ALA 58 -2.877 3.185 7.008 422 HA ALA 58 HA ALA 58 -2.469 5.583 8.529 423 HB1 ALA 58 1HB ALA 58 -4.094 4.742 9.784 424 HB2 ALA 58 2HB ALA 58 -4.131 3.337 8.718 425 HB3 ALA 58 3HB ALA 58 -3.127 3.317 10.167 426 H MET 59 HN MET 59 -1.436 2.233 9.207 427 HA MET 59 HA MET 59 0.474 2.886 11.124 428 HB2 MET 59 2HB MET 59 1.466 0.633 10.571 429 HB3 MET 59 3HB MET 59 -0.249 0.625 10.962 430 HG2 MET 59 2HG MET 59 0.122 -0.829 9.107 431 HG3 MET 59 3HG MET 59 -0.756 0.592 8.543 432 HE1 MET 59 1HE MET 59 3.379 -0.886 7.707 433 HE2 MET 59 2HE MET 59 3.548 0.473 8.819 434 HE3 MET 59 3HE MET 59 2.533 -0.902 9.254 435 H TYR 60 HN TYR 60 0.555 3.341 7.755 436 HA TYR 60 HA TYR 60 3.333 3.118 7.280 437 HB2 TYR 60 2HB TYR 60 2.473 3.289 5.218 438 HB3 TYR 60 3HB TYR 60 0.983 4.000 5.826 439 HD1 TYR 60 1HD TYR 60 3.767 4.557 3.791 440 HD2 TYR 60 2HD TYR 60 1.240 6.546 6.577 441 HE1 TYR 60 1HE TYR 60 4.416 6.723 2.824 442 HE2 TYR 60 2HE TYR 60 1.880 8.717 5.617 443 HH TYR 60 HH TYR 60 3.060 9.212 2.811 444 H CYS 61 HN CYS 61 1.515 5.393 9.009 445 HA CYS 61 HA CYS 61 2.972 7.754 8.541 446 HB2 CYS 61 2HB CYS 61 1.089 6.778 10.609 447 HB3 CYS 61 3HB CYS 61 2.143 8.103 11.087 448 HG CYS 61 HG CYS 61 -0.014 9.493 10.373 449 H ASN 62 HN ASN 62 3.943 4.880 9.954 450 HA ASN 62 HA ASN 62 5.916 6.148 11.704 451 HB2 ASN 62 2HB ASN 62 4.485 3.670 11.761 452 HB3 ASN 62 3HB ASN 62 6.211 3.322 11.703 453 HD21 ASN 62 1HD2 ASN 62 4.062 5.658 13.298 454 HD22 ASN 62 2HD2 ASN 62 4.768 5.490 14.866 455 H GLY 63 HN GLY 63 5.858 3.613 9.188 456 HA2 GLY 63 1HA GLY 63 8.615 4.418 8.489 457 HA3 GLY 63 2HA GLY 63 8.030 2.764 8.375 458 H ASN 64 HN ASN 64 9.053 3.284 6.157 459 HA ASN 64 HA ASN 64 8.853 3.964 3.954 460 HB2 ASN 64 2HB ASN 64 6.451 2.316 4.666 461 HB3 ASN 64 3HB ASN 64 6.617 2.954 3.033 462 HD21 ASN 64 1HD2 ASN 64 6.719 0.767 2.326 463 HD22 ASN 64 2HD2 ASN 64 8.195 -0.123 2.445 464 H LYS 65 HN LYS 65 8.304 6.169 5.465 465 HA LYS 65 HA LYS 65 5.776 7.305 4.602 466 HB2 LYS 65 2HB LYS 65 7.274 7.674 6.840 467 HB3 LYS 65 3HB LYS 65 7.776 9.059 5.878 468 HG2 LYS 65 2HG LYS 65 5.760 10.072 6.029 469 HG3 LYS 65 3HG LYS 65 4.871 8.547 6.060 470 HD2 LYS 65 2HD LYS 65 4.684 9.669 8.203 471 HD3 LYS 65 3HD LYS 65 5.618 8.182 8.377 472 HE2 LYS 65 2HE LYS 65 6.582 10.107 9.608 473 HE3 LYS 65 3HE LYS 65 7.678 9.417 8.412 474 HZ1 LYS 65 1HZ LYS 65 7.521 11.243 7.077 475 HZ2 LYS 65 2HZ LYS 65 7.321 11.986 8.583 476 HZ3 LYS 65 3HZ LYS 65 5.973 11.664 7.615 477 H ASP 66 HN ASP 66 6.298 7.148 2.304 478 HA ASP 66 HA ASP 66 7.998 9.387 1.419 479 HB2 ASP 66 2HB ASP 66 8.566 6.823 0.872 480 HB3 ASP 66 3HB ASP 66 7.461 7.150 -0.461 481 H GLY 67 HN GLY 67 5.106 7.458 0.743 482 HA2 GLY 67 1HA GLY 67 3.310 9.401 0.257 483 HA3 GLY 67 2HA GLY 67 4.187 9.336 -1.266 484 H SER 68 HN SER 68 3.391 6.633 0.869 485 HA SER 68 HA SER 68 1.259 5.729 -0.860 486 HB2 SER 68 2HB SER 68 3.896 4.261 -0.711 487 HB3 SER 68 3HB SER 68 2.401 3.504 -1.262 488 HG SER 68 HG SER 68 2.310 5.009 -2.940 489 H LEU 69 HN LEU 69 3.242 3.471 0.888 490 HA LEU 69 HA LEU 69 1.752 3.652 3.340 491 HB2 LEU 69 2HB LEU 69 0.875 1.326 3.187 492 HB3 LEU 69 3HB LEU 69 0.100 2.478 2.101 493 HG LEU 69 HG LEU 69 0.585 0.154 1.189 494 HD11 LEU 69 1HD1 LEU 69 0.166 1.252 -0.690 495 HD12 LEU 69 2HD1 LEU 69 1.886 1.624 -0.820 496 HD13 LEU 69 3HD1 LEU 69 0.801 2.748 -0.002 497 HD21 LEU 69 1HD2 LEU 69 2.919 0.143 2.184 498 HD22 LEU 69 2HD2 LEU 69 3.377 1.221 0.865 499 HD23 LEU 69 3HD2 LEU 69 2.772 -0.399 0.512 500 H GLN 70 HN GLN 70 2.230 1.300 4.516 501 HA GLN 70 HA GLN 70 5.078 0.712 4.110 502 HB2 GLN 70 2HB GLN 70 4.812 2.372 5.949 503 HB3 GLN 70 3HB GLN 70 3.814 1.208 6.810 504 HG2 GLN 70 2HG GLN 70 5.774 -0.363 6.738 505 HG3 GLN 70 3HG GLN 70 6.733 0.990 6.140 506 HE21 GLN 70 1HE2 GLN 70 7.773 0.105 8.272 507 HE22 GLN 70 2HE2 GLN 70 7.360 0.999 9.691 508 H CYS 71 HN CYS 71 5.775 -1.316 5.056 509 HA CYS 71 HA CYS 71 3.610 -3.289 5.026 510 HB2 CYS 71 2HB CYS 71 5.292 -3.847 3.456 511 HB3 CYS 71 3HB CYS 71 6.585 -3.488 4.596 512 HA PRO 72 HA PRO 72 4.219 -3.243 9.509 513 HB2 PRO 72 2HB PRO 72 1.875 -4.502 10.050 514 HB3 PRO 72 3HB PRO 72 1.979 -2.769 9.713 515 HG2 PRO 72 2HG PRO 72 1.205 -5.012 7.887 516 HG3 PRO 72 3HG PRO 72 0.463 -3.412 8.071 517 HD2 PRO 72 2HD PRO 72 2.161 -4.006 6.047 518 HD3 PRO 72 3HD PRO 72 2.057 -2.384 6.760 519 H SER 73 HN SER 73 4.136 -5.719 7.218 520 HA SER 73 HA SER 73 4.114 -7.974 8.967 521 HB2 SER 73 2HB SER 73 4.159 -7.518 6.146 522 HB3 SER 73 3HB SER 73 5.479 -8.614 6.551 523 HG SER 73 HG SER 73 3.522 -9.735 6.165 524 H CYS 74 HN CYS 74 6.765 -6.808 6.885 525 HA CYS 74 HA CYS 74 8.654 -7.680 8.971 526 HB2 CYS 74 2HB CYS 74 10.252 -8.144 7.277 527 HB3 CYS 74 3HB CYS 74 8.731 -8.825 6.707 528 H LYS 75 HN LYS 75 7.198 -5.000 8.198 529 HA LYS 75 HA LYS 75 7.639 -2.777 8.384 530 HB2 LYS 75 2HB LYS 75 9.839 -4.062 9.916 531 HB3 LYS 75 3HB LYS 75 10.025 -2.358 9.522 532 HG2 LYS 75 2HG LYS 75 8.910 -2.018 11.427 533 HG3 LYS 75 3HG LYS 75 7.481 -2.407 10.468 534 HD2 LYS 75 2HD LYS 75 7.207 -3.839 12.242 535 HD3 LYS 75 3HD LYS 75 8.102 -4.872 11.126 536 HE2 LYS 75 2HE LYS 75 10.184 -4.319 12.275 537 HE3 LYS 75 3HE LYS 75 9.303 -3.259 13.375 538 HZ1 LYS 75 1HZ LYS 75 8.995 -6.202 13.134 539 HZ2 LYS 75 2HZ LYS 75 8.036 -5.215 14.117 540 HZ3 LYS 75 3HZ LYS 75 9.692 -5.363 14.428 541 H THR 76 HN THR 76 8.026 -3.630 5.898 542 HA THR 76 HA THR 76 10.580 -2.429 5.045 543 HB THR 76 HB THR 76 8.965 -4.675 3.908 544 HG1 THR 76 1HG THR 76 11.762 -4.202 4.209 545 HG21 THR 76 1HG2 THR 76 10.719 -4.248 1.907 546 HG22 THR 76 2HG2 THR 76 10.365 -2.582 2.365 547 HG23 THR 76 3HG2 THR 76 9.056 -3.662 1.884 Start of MODEL 5 1 H1 ASN 1 HN ASN 1 3.662 6.132 -5.876 2 HA ASN 1 HA ASN 1 3.869 5.006 -3.863 3 HB2 ASN 1 2HB ASN 1 1.486 3.483 -4.914 4 HB3 ASN 1 3HB ASN 1 2.327 3.013 -3.440 5 HD21 ASN 1 1HD2 ASN 1 -0.214 3.546 -3.120 6 HD22 ASN 1 2HD2 ASN 1 -0.471 5.090 -2.388 7 H TYR 2 HN TYR 2 4.524 2.695 -3.196 8 HA TYR 2 HA TYR 2 6.127 1.595 -5.390 9 HB2 TYR 2 2HB TYR 2 6.801 0.421 -2.876 10 HB3 TYR 2 3HB TYR 2 7.773 1.487 -3.884 11 HD1 TYR 2 1HD TYR 2 6.090 1.133 -0.777 12 HD2 TYR 2 2HD TYR 2 7.340 4.028 -3.633 13 HE1 TYR 2 1HE TYR 2 5.929 2.887 0.939 14 HE2 TYR 2 2HE TYR 2 7.184 5.790 -1.925 15 HH TYR 2 HH TYR 2 6.470 5.028 1.441 16 H THR 3 HN THR 3 3.196 1.052 -4.364 17 HA THR 3 HA THR 3 3.440 -1.886 -4.359 18 HB THR 3 HB THR 3 1.190 -1.917 -3.288 19 HG1 THR 3 1HG THR 3 0.139 -0.085 -3.345 20 HG21 THR 3 1HG2 THR 3 3.649 -0.865 -2.058 21 HG22 THR 3 2HG2 THR 3 2.642 -2.235 -1.589 22 HG23 THR 3 3HG2 THR 3 2.174 -0.597 -1.130 23 H GLU 4 HN GLU 4 1.428 -2.985 -5.258 24 HA GLU 4 HA GLU 4 0.321 -1.494 -7.535 25 HB2 GLU 4 2HB GLU 4 1.985 -2.746 -8.607 26 HB3 GLU 4 3HB GLU 4 1.726 -4.146 -7.575 27 HG2 GLU 4 2HG GLU 4 0.180 -4.994 -8.929 28 HG3 GLU 4 3HG GLU 4 -0.631 -3.441 -9.119 29 H GLU 5 HN GLU 5 -1.819 -1.539 -7.498 30 HA GLU 5 HA GLU 5 -3.406 -2.822 -5.677 31 HB2 GLU 5 2HB GLU 5 -3.957 -1.029 -7.512 32 HB3 GLU 5 3HB GLU 5 -4.447 -2.428 -8.457 33 HG2 GLU 5 2HG GLU 5 -5.784 -2.982 -6.234 34 HG3 GLU 5 3HG GLU 5 -5.688 -1.231 -6.052 35 H LEU 6 HN LEU 6 -4.639 -4.701 -5.626 36 HA LEU 6 HA LEU 6 -3.613 -6.861 -7.319 37 HB2 LEU 6 2HB LEU 6 -5.099 -6.869 -4.702 38 HB3 LEU 6 3HB LEU 6 -4.747 -8.331 -5.621 39 HG LEU 6 HG LEU 6 -3.046 -6.788 -3.825 40 HD11 LEU 6 1HD1 LEU 6 -1.778 -9.071 -4.126 41 HD12 LEU 6 2HD1 LEU 6 -3.302 -9.566 -4.860 42 HD13 LEU 6 3HD1 LEU 6 -3.275 -8.975 -3.198 43 HD21 LEU 6 1HD2 LEU 6 -0.998 -7.006 -5.064 44 HD22 LEU 6 2HD2 LEU 6 -2.136 -6.048 -6.011 45 HD23 LEU 6 3HD2 LEU 6 -1.849 -7.739 -6.424 46 H LYS 7 HN LYS 7 -4.802 -7.653 -8.916 47 HA LYS 7 HA LYS 7 -7.304 -6.669 -9.645 48 HB2 LYS 7 2HB LYS 7 -5.429 -8.299 -10.807 49 HB3 LYS 7 3HB LYS 7 -6.763 -9.412 -10.539 50 HG2 LYS 7 2HG LYS 7 -8.256 -7.846 -11.735 51 HG3 LYS 7 3HG LYS 7 -6.856 -6.829 -12.082 52 HD2 LYS 7 2HD LYS 7 -5.875 -8.464 -13.459 53 HD3 LYS 7 3HD LYS 7 -6.938 -9.734 -12.847 54 HE2 LYS 7 2HE LYS 7 -8.345 -9.339 -14.518 55 HE3 LYS 7 3HE LYS 7 -8.584 -7.700 -13.917 56 HZ1 LYS 7 1HZ LYS 7 -6.243 -8.344 -15.585 57 HZ2 LYS 7 2HZ LYS 7 -7.007 -6.853 -15.354 58 HZ3 LYS 7 3HZ LYS 7 -7.742 -8.041 -16.307 59 H VAL 8 HN VAL 8 -6.473 -9.001 -7.293 60 HA VAL 8 HA VAL 8 -9.204 -9.307 -6.493 61 HB VAL 8 HB VAL 8 -9.066 -11.867 -6.595 62 HG11 VAL 8 1HG1 VAL 8 -10.401 -10.160 -8.075 63 HG12 VAL 8 2HG1 VAL 8 -9.307 -10.727 -9.338 64 HG13 VAL 8 3HG1 VAL 8 -10.352 -11.871 -8.496 65 HG21 VAL 8 1HG2 VAL 8 -6.759 -11.075 -8.284 66 HG22 VAL 8 2HG2 VAL 8 -6.974 -12.489 -7.251 67 HG23 VAL 8 3HG2 VAL 8 -7.750 -12.428 -8.833 68 HA PRO 9 HA PRO 9 -7.201 -9.859 -2.617 69 HB2 PRO 9 2HB PRO 9 -9.213 -11.034 -1.223 70 HB3 PRO 9 3HB PRO 9 -9.220 -9.321 -1.660 71 HG2 PRO 9 2HG PRO 9 -10.609 -11.618 -2.985 72 HG3 PRO 9 3HG PRO 9 -11.223 -9.994 -2.628 73 HD2 PRO 9 2HD PRO 9 -10.355 -10.715 -5.090 74 HD3 PRO 9 3HD PRO 9 -10.188 -9.062 -4.465 75 HA PRO 10 HA PRO 10 -5.773 -14.101 -3.257 76 HB2 PRO 10 2HB PRO 10 -3.462 -13.764 -1.873 77 HB3 PRO 10 3HB PRO 10 -3.665 -13.236 -3.547 78 HG2 PRO 10 2HG PRO 10 -3.831 -11.636 -1.023 79 HG3 PRO 10 3HG PRO 10 -3.048 -11.223 -2.559 80 HD2 PRO 10 2HD PRO 10 -5.480 -10.260 -1.859 81 HD3 PRO 10 3HD PRO 10 -5.032 -10.589 -3.545 82 H ASP 11 HN ASP 11 -4.356 -15.405 -1.359 83 HA ASP 11 HA ASP 11 -6.279 -15.579 0.852 84 HB2 ASP 11 2HB ASP 11 -5.472 -17.847 1.185 85 HB3 ASP 11 3HB ASP 11 -5.911 -17.618 -0.506 86 H GLU 12 HN GLU 12 -4.427 -13.493 0.965 87 HA GLU 12 HA GLU 12 -2.407 -14.390 2.890 88 HB2 GLU 12 2HB GLU 12 -2.139 -12.696 0.797 89 HB3 GLU 12 3HB GLU 12 -2.501 -11.547 2.078 90 HG2 GLU 12 2HG GLU 12 -0.317 -13.607 2.236 91 HG3 GLU 12 3HG GLU 12 -0.078 -11.948 1.690 92 H ASP 13 HN ASP 13 -5.212 -12.310 2.558 93 HA ASP 13 HA ASP 13 -6.543 -11.272 4.083 94 HB2 ASP 13 2HB ASP 13 -5.185 -13.233 5.941 95 HB3 ASP 13 3HB ASP 13 -6.532 -12.202 6.418 96 H CYS 14 HN CYS 14 -6.435 -9.334 5.049 97 HA CYS 14 HA CYS 14 -4.246 -7.777 5.200 98 HB2 CYS 14 2HB CYS 14 -6.512 -6.937 5.602 99 HB3 CYS 14 3HB CYS 14 -6.541 -7.734 7.171 100 H ILE 15 HN ILE 15 -2.930 -6.969 6.980 101 HA ILE 15 HA ILE 15 -2.333 -9.078 8.952 102 HB ILE 15 HB ILE 15 -0.129 -7.258 8.513 103 HG12 ILE 15 2HG1 ILE 15 -1.378 -8.590 6.133 104 HG13 ILE 15 3HG1 ILE 15 -0.689 -6.975 6.268 105 HG21 ILE 15 1HG2 ILE 15 1.142 -9.218 8.529 106 HG22 ILE 15 2HG2 ILE 15 -0.227 -9.583 9.579 107 HG23 ILE 15 3HG2 ILE 15 -0.194 -10.198 7.927 108 HD11 ILE 15 1HD1 ILE 15 0.887 -9.538 6.278 109 HD12 ILE 15 2HD1 ILE 15 0.674 -8.469 4.891 110 HD13 ILE 15 3HD1 ILE 15 1.542 -7.902 6.317 111 H ILE 16 HN ILE 16 -2.948 -5.720 8.394 112 HA ILE 16 HA ILE 16 -2.033 -4.784 10.938 113 HB ILE 16 HB ILE 16 -4.115 -3.318 9.376 114 HG12 ILE 16 2HG1 ILE 16 -1.513 -4.191 8.356 115 HG13 ILE 16 3HG1 ILE 16 -2.897 -3.533 7.491 116 HG21 ILE 16 1HG2 ILE 16 -3.109 -1.404 10.245 117 HG22 ILE 16 2HG2 ILE 16 -3.008 -2.564 11.569 118 HG23 ILE 16 3HG2 ILE 16 -1.590 -2.236 10.573 119 HD11 ILE 16 1HD1 ILE 16 -0.591 -2.108 8.732 120 HD12 ILE 16 2HD1 ILE 16 -1.264 -1.957 7.109 121 HD13 ILE 16 3HD1 ILE 16 -2.125 -1.273 8.488 122 H CYS 17 HN CYS 17 -5.344 -4.851 9.608 123 HA CYS 17 HA CYS 17 -6.432 -4.920 12.296 124 HB2 CYS 17 2HB CYS 17 -8.545 -4.492 11.302 125 HB3 CYS 17 3HB CYS 17 -7.386 -3.522 10.400 126 H MET 18 HN MET 18 -4.991 -7.229 10.849 127 HA MET 18 HA MET 18 -5.307 -9.481 10.426 128 HB2 MET 18 2HB MET 18 -6.632 -9.253 13.132 129 HB3 MET 18 3HB MET 18 -5.839 -10.672 12.464 130 HG2 MET 18 2HG MET 18 -3.726 -9.262 12.390 131 HG3 MET 18 3HG MET 18 -4.593 -8.114 13.406 132 HE1 MET 18 1HE MET 18 -1.796 -10.720 14.899 133 HE2 MET 18 2HE MET 18 -2.620 -11.835 13.809 134 HE3 MET 18 3HE MET 18 -2.121 -10.245 13.232 135 H GLU 19 HN GLU 19 -6.967 -8.856 8.734 136 HA GLU 19 HA GLU 19 -9.446 -10.292 9.332 137 HB2 GLU 19 2HB GLU 19 -9.274 -7.514 8.171 138 HB3 GLU 19 3HB GLU 19 -10.698 -8.531 7.993 139 HG2 GLU 19 2HG GLU 19 -9.812 -8.360 10.747 140 HG3 GLU 19 3HG GLU 19 -10.173 -6.779 10.056 141 H LYS 20 HN LYS 20 -10.763 -10.269 7.066 142 HA LYS 20 HA LYS 20 -9.112 -11.801 5.296 143 HB2 LYS 20 2HB LYS 20 -11.999 -11.025 5.387 144 HB3 LYS 20 3HB LYS 20 -11.332 -11.646 3.881 145 HG2 LYS 20 2HG LYS 20 -10.420 -13.491 5.638 146 HG3 LYS 20 3HG LYS 20 -11.949 -13.034 6.392 147 HD2 LYS 20 2HD LYS 20 -12.703 -14.674 4.997 148 HD3 LYS 20 3HD LYS 20 -12.822 -13.296 3.900 149 HE2 LYS 20 2HE LYS 20 -10.708 -13.860 2.891 150 HE3 LYS 20 3HE LYS 20 -10.445 -15.144 4.069 151 HZ1 LYS 20 1HZ LYS 20 -12.536 -15.057 1.964 152 HZ2 LYS 20 2HZ LYS 20 -12.463 -16.234 3.177 153 HZ3 LYS 20 3HZ LYS 20 -11.213 -16.110 2.044 154 H LEU 21 HN LEU 21 -8.289 -11.266 3.333 155 HA LEU 21 HA LEU 21 -7.886 -8.516 2.744 156 HB2 LEU 21 2HB LEU 21 -7.043 -11.104 1.641 157 HB3 LEU 21 3HB LEU 21 -7.140 -9.795 0.466 158 HG LEU 21 HG LEU 21 -5.416 -9.914 2.935 159 HD11 LEU 21 1HD1 LEU 21 -3.603 -9.663 1.259 160 HD12 LEU 21 2HD1 LEU 21 -4.808 -9.837 -0.016 161 HD13 LEU 21 3HD1 LEU 21 -4.510 -11.169 1.103 162 HD21 LEU 21 1HD2 LEU 21 -5.757 -7.687 2.984 163 HD22 LEU 21 2HD2 LEU 21 -6.345 -7.629 1.322 164 HD23 LEU 21 3HD2 LEU 21 -4.611 -7.689 1.643 165 H SER 22 HN SER 22 -10.543 -10.391 2.289 166 HA SER 22 HA SER 22 -11.339 -8.988 -0.175 167 HB2 SER 22 2HB SER 22 -11.374 -11.533 -0.132 168 HB3 SER 22 3HB SER 22 -12.707 -11.404 1.016 169 HG SER 22 HG SER 22 -13.575 -11.565 -1.027 170 H THR 23 HN THR 23 -11.749 -9.011 3.149 171 HA THR 23 HA THR 23 -14.478 -7.966 3.058 172 HB THR 23 HB THR 23 -14.335 -7.986 5.543 173 HG1 THR 23 1HG THR 23 -11.707 -8.446 4.962 174 HG21 THR 23 1HG2 THR 23 -13.598 -10.619 4.257 175 HG22 THR 23 2HG2 THR 23 -15.218 -9.922 4.289 176 HG23 THR 23 3HG2 THR 23 -14.434 -10.400 5.794 177 H ALA 24 HN ALA 24 -12.344 -6.416 1.904 178 HA ALA 24 HA ALA 24 -11.440 -4.319 1.912 179 HB1 ALA 24 1HB ALA 24 -13.208 -2.842 3.482 180 HB2 ALA 24 2HB ALA 24 -13.268 -3.071 1.734 181 HB3 ALA 24 3HB ALA 24 -14.177 -4.146 2.796 182 H SER 25 HN SER 25 -10.975 -2.333 3.477 183 HA SER 25 HA SER 25 -9.233 -3.343 5.482 184 HB2 SER 25 2HB SER 25 -8.299 -1.372 4.935 185 HB3 SER 25 3HB SER 25 -9.805 -0.773 4.243 186 HG SER 25 HG SER 25 -9.149 -0.803 7.006 187 H GLY 26 HN GLY 26 -9.347 -3.195 7.717 188 HA2 GLY 26 1HA GLY 26 -12.051 -3.176 8.782 189 HA3 GLY 26 2HA GLY 26 -10.594 -3.653 9.641 190 H TYR 27 HN TYR 27 -9.173 -1.188 8.909 191 HA TYR 27 HA TYR 27 -10.024 0.402 11.122 192 HB2 TYR 27 2HB TYR 27 -7.920 0.827 8.997 193 HB3 TYR 27 3HB TYR 27 -8.200 1.960 10.314 194 HD1 TYR 27 1HD TYR 27 -8.887 -1.166 11.630 195 HD2 TYR 27 2HD TYR 27 -5.597 1.222 10.377 196 HE1 TYR 27 1HE TYR 27 -7.392 -2.478 13.077 197 HE2 TYR 27 2HE TYR 27 -4.092 -0.084 11.818 198 HH TYR 27 HH TYR 27 -4.298 -1.496 13.893 199 H SER 28 HN SER 28 -10.827 0.318 7.809 200 HA SER 28 HA SER 28 -11.309 2.837 6.982 201 HB2 SER 28 2HB SER 28 -11.996 0.559 5.921 202 HB3 SER 28 3HB SER 28 -13.536 0.836 6.733 203 HG SER 28 HG SER 28 -13.536 1.679 4.611 204 H ASP 29 HN ASP 29 -12.896 1.219 9.608 205 HA ASP 29 HA ASP 29 -15.218 2.705 9.890 206 HB2 ASP 29 2HB ASP 29 -13.489 1.127 11.697 207 HB3 ASP 29 3HB ASP 29 -14.545 2.297 12.483 208 H VAL 30 HN VAL 30 -11.969 3.409 11.131 209 HA VAL 30 HA VAL 30 -12.884 6.129 11.794 210 HB VAL 30 HB VAL 30 -10.244 5.268 12.785 211 HG11 VAL 30 1HG1 VAL 30 -12.548 6.436 14.318 212 HG12 VAL 30 2HG1 VAL 30 -10.821 6.561 14.659 213 HG13 VAL 30 3HG1 VAL 30 -11.514 7.423 13.284 214 HG21 VAL 30 1HG2 VAL 30 -11.077 3.221 13.356 215 HG22 VAL 30 2HG2 VAL 30 -11.610 4.150 14.756 216 HG23 VAL 30 3HG2 VAL 30 -12.741 3.798 13.450 217 H THR 31 HN THR 31 -9.850 4.523 10.814 218 HA THR 31 HA THR 31 -8.350 6.523 9.893 219 HB THR 31 HB THR 31 -7.806 4.960 7.848 220 HG1 THR 31 1HG THR 31 -9.909 3.729 8.898 221 HG21 THR 31 1HG2 THR 31 -7.318 4.402 10.759 222 HG22 THR 31 2HG2 THR 31 -6.224 5.107 9.569 223 HG23 THR 31 3HG2 THR 31 -6.614 3.390 9.500 224 H ASP 32 HN ASP 32 -10.204 4.841 7.385 225 HA ASP 32 HA ASP 32 -11.502 5.616 5.669 226 HB2 ASP 32 2HB ASP 32 -12.860 7.298 6.240 227 HB3 ASP 32 3HB ASP 32 -11.852 7.583 7.657 228 H SER 33 HN SER 33 -8.402 6.521 6.380 229 HA SER 33 HA SER 33 -6.678 7.489 5.228 230 HB2 SER 33 2HB SER 33 -6.216 6.194 3.441 231 HB3 SER 33 3HB SER 33 -7.761 5.408 3.769 232 HG SER 33 HG SER 33 -8.681 6.494 2.160 233 H LYS 34 HN LYS 34 -6.343 8.625 2.805 234 HA LYS 34 HA LYS 34 -8.426 10.612 2.387 235 HB2 LYS 34 2HB LYS 34 -6.573 11.292 4.181 236 HB3 LYS 34 3HB LYS 34 -5.680 11.711 2.725 237 HG2 LYS 34 2HG LYS 34 -7.543 13.161 2.029 238 HG3 LYS 34 3HG LYS 34 -8.375 12.780 3.538 239 HD2 LYS 34 2HD LYS 34 -6.049 13.574 4.559 240 HD3 LYS 34 3HD LYS 34 -5.997 14.489 3.051 241 HE2 LYS 34 2HE LYS 34 -7.029 15.941 4.557 242 HE3 LYS 34 3HE LYS 34 -8.372 15.243 3.654 243 HZ1 LYS 34 1HZ LYS 34 -8.439 13.553 5.562 244 HZ2 LYS 34 2HZ LYS 34 -9.058 15.102 5.845 245 HZ3 LYS 34 3HZ LYS 34 -7.523 14.687 6.423 246 H ALA 35 HN ALA 35 -7.571 8.529 0.731 247 HA ALA 35 HA ALA 35 -7.130 9.888 -1.688 248 HB1 ALA 35 1HB ALA 35 -4.920 10.191 -1.608 249 HB2 ALA 35 2HB ALA 35 -4.728 9.087 -0.244 250 HB3 ALA 35 3HB ALA 35 -4.801 8.453 -1.889 251 H LEU 36 HN LEU 36 -6.625 6.831 0.031 252 HA LEU 36 HA LEU 36 -7.069 5.206 -2.279 253 HB2 LEU 36 2HB LEU 36 -7.360 4.298 0.567 254 HB3 LEU 36 3HB LEU 36 -6.879 3.355 -0.842 255 HG LEU 36 HG LEU 36 -5.132 5.589 0.095 256 HD11 LEU 36 1HD1 LEU 36 -5.333 2.855 1.338 257 HD12 LEU 36 2HD1 LEU 36 -5.505 4.418 2.135 258 HD13 LEU 36 3HD1 LEU 36 -3.934 3.915 1.512 259 HD21 LEU 36 1HD2 LEU 36 -4.182 4.762 -1.788 260 HD22 LEU 36 2HD2 LEU 36 -4.931 3.175 -1.603 261 HD23 LEU 36 3HD2 LEU 36 -3.510 3.598 -0.645 262 H GLY 37 HN GLY 37 -8.796 3.234 -1.330 263 HA2 GLY 37 1HA GLY 37 -11.360 4.673 -1.057 264 HA3 GLY 37 2HA GLY 37 -11.156 3.405 -2.256 265 H SER 38 HN SER 38 -9.344 2.456 0.293 266 HA SER 38 HA SER 38 -9.600 0.972 2.003 267 HB2 SER 38 2HB SER 38 -12.509 1.140 2.285 268 HB3 SER 38 3HB SER 38 -11.243 1.442 3.474 269 HG SER 38 HG SER 38 -11.020 3.518 2.675 270 H LEU 39 HN LEU 39 -10.552 0.554 -0.985 271 HA LEU 39 HA LEU 39 -11.406 -2.218 -0.518 272 HB2 LEU 39 2HB LEU 39 -12.502 -0.544 -2.760 273 HB3 LEU 39 3HB LEU 39 -13.044 -2.132 -2.221 274 HG LEU 39 HG LEU 39 -13.269 -0.050 -0.177 275 HD11 LEU 39 1HD1 LEU 39 -15.070 0.123 -2.583 276 HD12 LEU 39 2HD1 LEU 39 -13.735 1.231 -2.272 277 HD13 LEU 39 3HD1 LEU 39 -15.088 1.144 -1.145 278 HD21 LEU 39 1HD2 LEU 39 -14.796 -2.362 -1.236 279 HD22 LEU 39 2HD2 LEU 39 -15.701 -1.095 -0.406 280 HD23 LEU 39 3HD2 LEU 39 -14.392 -1.934 0.426 281 H ALA 40 HN ALA 40 -8.824 -0.937 -1.185 282 HA ALA 40 HA ALA 40 -8.289 -2.452 -3.649 283 HB1 ALA 40 1HB ALA 40 -8.083 0.366 -3.335 284 HB2 ALA 40 2HB ALA 40 -6.459 -0.293 -3.527 285 HB3 ALA 40 3HB ALA 40 -7.692 -0.619 -4.745 286 H VAL 41 HN VAL 41 -7.081 -4.115 -3.007 287 HA VAL 41 HA VAL 41 -5.125 -3.747 -0.863 288 HB VAL 41 HB VAL 41 -6.351 -5.669 -0.412 289 HG11 VAL 41 1HG1 VAL 41 -6.450 -5.932 -3.352 290 HG12 VAL 41 2HG1 VAL 41 -6.457 -7.437 -2.430 291 HG13 VAL 41 3HG1 VAL 41 -7.701 -6.220 -2.142 292 HG21 VAL 41 1HG2 VAL 41 -3.807 -5.973 -0.551 293 HG22 VAL 41 2HG2 VAL 41 -4.807 -7.422 -0.458 294 HG23 VAL 41 3HG2 VAL 41 -4.135 -6.913 -2.007 295 H GLY 42 HN GLY 42 -3.007 -3.601 -1.236 296 HA2 GLY 42 1HA GLY 42 -1.939 -4.640 -3.773 297 HA3 GLY 42 2HA GLY 42 -1.621 -2.970 -3.328 298 H HIS 43 HN HIS 43 0.310 -5.063 -3.787 299 HA HIS 43 HA HIS 43 1.406 -5.479 -1.093 300 HB2 HIS 43 2HB HIS 43 2.741 -7.242 -2.010 301 HB3 HIS 43 3HB HIS 43 1.100 -7.464 -2.613 302 HD1 HIS 43 1HD HIS 43 0.918 -7.824 -5.054 303 HD2 HIS 43 2HD HIS 43 4.443 -5.876 -4.036 304 HE1 HIS 43 1HE HIS 43 2.208 -7.603 -7.200 305 H LEU 44 HN LEU 44 3.642 -5.053 -0.695 306 HA LEU 44 HA LEU 44 4.550 -2.649 -2.014 307 HB2 LEU 44 2HB LEU 44 4.833 -3.781 0.533 308 HB3 LEU 44 3HB LEU 44 6.451 -3.763 -0.164 309 HG LEU 44 HG LEU 44 5.009 -1.235 -0.467 310 HD11 LEU 44 1HD1 LEU 44 5.266 -0.570 1.875 311 HD12 LEU 44 2HD1 LEU 44 5.719 -2.223 2.291 312 HD13 LEU 44 3HD1 LEU 44 4.097 -1.879 1.690 313 HD21 LEU 44 1HD2 LEU 44 7.672 -1.855 0.797 314 HD22 LEU 44 2HD2 LEU 44 7.122 -0.315 0.135 315 HD23 LEU 44 3HD2 LEU 44 7.429 -1.679 -0.941 316 H THR 45 HN THR 45 5.778 -2.666 -3.764 317 HA THR 45 HA THR 45 6.866 -4.902 -4.982 318 HB THR 45 HB THR 45 8.161 -3.396 -6.381 319 HG1 THR 45 1HG THR 45 8.020 -1.076 -5.789 320 HG21 THR 45 1HG2 THR 45 5.344 -2.791 -5.703 321 HG22 THR 45 2HG2 THR 45 6.062 -3.274 -7.241 322 HG23 THR 45 3HG2 THR 45 6.191 -1.602 -6.693 323 H LYS 46 HN LYS 46 7.969 -3.271 -2.223 324 HA LYS 46 HA LYS 46 10.763 -3.776 -2.483 325 HB2 LYS 46 2HB LYS 46 8.961 -3.003 -0.212 326 HB3 LYS 46 3HB LYS 46 10.631 -3.458 0.101 327 HG2 LYS 46 2HG LYS 46 10.401 -1.526 -2.052 328 HG3 LYS 46 3HG LYS 46 9.709 -0.941 -0.538 329 HD2 LYS 46 2HD LYS 46 12.459 -2.154 -0.764 330 HD3 LYS 46 3HD LYS 46 12.142 -0.420 -0.859 331 HE2 LYS 46 2HE LYS 46 10.915 -0.776 1.396 332 HE3 LYS 46 3HE LYS 46 11.837 -2.278 1.469 333 HZ1 LYS 46 1HZ LYS 46 13.170 -0.755 2.567 334 HZ2 LYS 46 2HZ LYS 46 12.833 0.499 1.484 335 HZ3 LYS 46 3HZ LYS 46 13.841 -0.776 1.014 336 H CYS 47 HN CYS 47 8.035 -5.621 -1.373 337 HA CYS 47 HA CYS 47 9.779 -7.938 -1.026 338 HB2 CYS 47 2HB CYS 47 8.783 -8.569 1.086 339 HB3 CYS 47 3HB CYS 47 9.444 -6.945 1.230 340 H SER 48 HN SER 48 6.456 -6.707 -1.117 341 HA SER 48 HA SER 48 4.691 -7.434 -2.406 342 HB2 SER 48 2HB SER 48 6.744 -8.648 -3.712 343 HB3 SER 48 3HB SER 48 5.853 -10.053 -3.130 344 HG SER 48 HG SER 48 4.890 -9.578 -5.016 345 H HIS 49 HN HIS 49 3.911 -7.584 -0.152 346 HA HIS 49 HA HIS 49 3.419 -10.382 0.633 347 HB2 HIS 49 2HB HIS 49 3.666 -7.901 2.341 348 HB3 HIS 49 3HB HIS 49 3.051 -9.437 2.948 349 HD2 HIS 49 2HD HIS 49 6.012 -9.961 0.602 350 HE1 HIS 49 1HE HIS 49 7.550 -10.019 4.556 351 HE2 HIS 49 2HE HIS 49 8.063 -10.392 2.117 352 H ALA 50 HN ALA 50 2.039 -7.312 -0.147 353 HA ALA 50 HA ALA 50 -0.110 -6.739 -0.679 354 HB1 ALA 50 1HB ALA 50 -1.745 -8.374 -1.062 355 HB2 ALA 50 2HB ALA 50 -0.219 -9.170 -1.443 356 HB3 ALA 50 3HB ALA 50 -1.022 -9.494 0.093 357 H PHE 51 HN PHE 51 -1.653 -5.682 0.466 358 HA PHE 51 HA PHE 51 -2.699 -6.529 2.947 359 HB2 PHE 51 2HB PHE 51 -1.323 -4.143 3.734 360 HB3 PHE 51 3HB PHE 51 -1.239 -5.750 4.449 361 HD1 PHE 51 1HD PHE 51 0.913 -6.456 4.757 362 HD2 PHE 51 2HD PHE 51 -0.034 -4.217 1.264 363 HE1 PHE 51 1HE PHE 51 3.241 -6.676 3.989 364 HE2 PHE 51 2HE PHE 51 2.291 -4.434 0.490 365 HZ PHE 51 HZ PHE 51 3.932 -5.666 1.852 366 H HIS 52 HN HIS 52 -4.142 -4.932 3.909 367 HA HIS 52 HA HIS 52 -5.665 -3.568 1.996 368 HB2 HIS 52 2HB HIS 52 -5.592 -3.449 5.005 369 HB3 HIS 52 3HB HIS 52 -6.705 -2.456 4.069 370 HD2 HIS 52 2HD HIS 52 -7.281 -5.101 1.924 371 HE1 HIS 52 1HE HIS 52 -9.123 -6.629 5.427 372 HE2 HIS 52 2HE HIS 52 -8.850 -6.891 2.936 373 H LEU 53 HN LEU 53 -4.632 -2.040 0.807 374 HA LEU 53 HA LEU 53 -2.671 -0.306 1.350 375 HB2 LEU 53 2HB LEU 53 -5.199 0.090 -0.199 376 HB3 LEU 53 3HB LEU 53 -4.036 1.406 -0.048 377 HG LEU 53 HG LEU 53 -3.383 -1.304 -1.198 378 HD11 LEU 53 1HD1 LEU 53 -5.019 0.571 -2.356 379 HD12 LEU 53 2HD1 LEU 53 -4.086 -0.655 -3.213 380 HD13 LEU 53 3HD1 LEU 53 -3.433 0.971 -3.016 381 HD21 LEU 53 1HD2 LEU 53 -1.309 -0.551 -0.793 382 HD22 LEU 53 2HD2 LEU 53 -1.849 1.112 -0.557 383 HD23 LEU 53 3HD2 LEU 53 -1.593 0.489 -2.189 384 H LEU 54 HN LEU 54 -6.047 0.170 2.315 385 HA LEU 54 HA LEU 54 -5.768 2.713 3.450 386 HB2 LEU 54 2HB LEU 54 -7.955 2.003 3.110 387 HB3 LEU 54 3HB LEU 54 -7.669 0.443 3.880 388 HG LEU 54 HG LEU 54 -8.026 1.264 5.987 389 HD11 LEU 54 1HD1 LEU 54 -6.730 3.664 4.923 390 HD12 LEU 54 2HD1 LEU 54 -6.632 2.931 6.524 391 HD13 LEU 54 3HD1 LEU 54 -7.991 3.979 6.116 392 HD21 LEU 54 1HD2 LEU 54 -9.818 3.190 5.695 393 HD22 LEU 54 2HD2 LEU 54 -10.157 1.525 5.223 394 HD23 LEU 54 3HD2 LEU 54 -9.694 2.711 4.002 395 H CYS 55 HN CYS 55 -6.089 -0.341 5.267 396 HA CYS 55 HA CYS 55 -5.405 0.511 7.754 397 HB2 CYS 55 2HB CYS 55 -4.661 -2.086 6.399 398 HB3 CYS 55 3HB CYS 55 -4.443 -1.797 8.122 399 H LEU 56 HN LEU 56 -3.192 -0.231 5.109 400 HA LEU 56 HA LEU 56 -0.805 0.038 6.617 401 HB2 LEU 56 2HB LEU 56 -1.110 0.511 3.662 402 HB3 LEU 56 3HB LEU 56 0.341 0.013 4.530 403 HG LEU 56 HG LEU 56 -2.095 -1.739 4.440 404 HD11 LEU 56 1HD1 LEU 56 -1.660 -2.520 2.377 405 HD12 LEU 56 2HD1 LEU 56 0.083 -2.304 2.544 406 HD13 LEU 56 3HD1 LEU 56 -0.942 -0.926 2.142 407 HD21 LEU 56 1HD2 LEU 56 0.578 -2.904 4.403 408 HD22 LEU 56 2HD2 LEU 56 -0.799 -3.256 5.447 409 HD23 LEU 56 3HD2 LEU 56 0.270 -1.903 5.822 410 H LEU 57 HN LEU 57 -2.309 2.239 4.243 411 HA LEU 57 HA LEU 57 -0.712 4.394 4.319 412 HB2 LEU 57 2HB LEU 57 -3.265 3.942 3.488 413 HB3 LEU 57 3HB LEU 57 -3.517 5.136 4.759 414 HG LEU 57 HG LEU 57 -3.363 6.410 2.819 415 HD11 LEU 57 1HD1 LEU 57 -0.536 6.334 3.864 416 HD12 LEU 57 2HD1 LEU 57 -1.871 7.201 4.622 417 HD13 LEU 57 3HD1 LEU 57 -1.317 7.669 3.014 418 HD21 LEU 57 1HD2 LEU 57 -2.646 5.352 0.993 419 HD22 LEU 57 2HD2 LEU 57 -1.637 4.248 1.927 420 HD23 LEU 57 3HD2 LEU 57 -1.022 5.840 1.480 421 H ALA 58 HN ALA 58 -2.660 3.240 6.958 422 HA ALA 58 HA ALA 58 -2.244 5.629 8.550 423 HB1 ALA 58 1HB ALA 58 -4.073 3.454 8.583 424 HB2 ALA 58 2HB ALA 58 -3.245 3.508 10.139 425 HB3 ALA 58 3HB ALA 58 -4.099 4.932 9.545 426 H MET 59 HN MET 59 -1.505 2.164 9.013 427 HA MET 59 HA MET 59 0.294 2.572 11.137 428 HB2 MET 59 2HB MET 59 -0.856 0.408 10.484 429 HB3 MET 59 3HB MET 59 0.352 0.245 9.216 430 HG2 MET 59 2HG MET 59 1.836 0.731 11.500 431 HG3 MET 59 3HG MET 59 0.539 -0.331 12.043 432 HE1 MET 59 1HE MET 59 3.498 -1.345 8.658 433 HE2 MET 59 2HE MET 59 2.044 -0.402 8.331 434 HE3 MET 59 3HE MET 59 3.293 0.241 9.400 435 H TYR 60 HN TYR 60 0.612 3.350 7.909 436 HA TYR 60 HA TYR 60 3.415 2.788 7.603 437 HB2 TYR 60 2HB TYR 60 2.732 2.962 5.474 438 HB3 TYR 60 3HB TYR 60 1.251 3.789 5.945 439 HD1 TYR 60 1HD TYR 60 4.417 4.122 4.355 440 HD2 TYR 60 2HD TYR 60 1.431 6.309 6.451 441 HE1 TYR 60 1HE TYR 60 5.294 6.214 3.405 442 HE2 TYR 60 2HE TYR 60 2.299 8.409 5.507 443 HH TYR 60 HH TYR 60 3.605 9.189 3.646 444 H CYS 61 HN CYS 61 1.444 5.582 8.452 445 HA CYS 61 HA CYS 61 3.030 7.719 8.273 446 HB2 CYS 61 2HB CYS 61 1.404 6.867 10.668 447 HB3 CYS 61 3HB CYS 61 2.151 8.455 10.542 448 HG CYS 61 HG CYS 61 -0.294 7.191 8.512 449 H ASN 62 HN ASN 62 3.587 5.008 10.405 450 HA ASN 62 HA ASN 62 5.905 6.338 11.598 451 HB2 ASN 62 2HB ASN 62 4.056 4.270 12.451 452 HB3 ASN 62 3HB ASN 62 5.729 3.751 12.643 453 HD21 ASN 62 1HD2 ASN 62 3.669 4.443 14.627 454 HD22 ASN 62 2HD2 ASN 62 4.371 5.679 15.610 455 H GLY 63 HN GLY 63 5.336 2.979 10.545 456 HA2 GLY 63 1HA GLY 63 8.028 2.438 9.977 457 HA3 GLY 63 2HA GLY 63 6.659 1.522 9.365 458 H ASN 64 HN ASN 64 9.198 2.309 8.068 459 HA ASN 64 HA ASN 64 9.946 3.032 6.045 460 HB2 ASN 64 2HB ASN 64 7.248 2.068 5.635 461 HB3 ASN 64 3HB ASN 64 7.630 3.357 4.498 462 HD21 ASN 64 1HD2 ASN 64 7.158 0.816 3.624 463 HD22 ASN 64 2HD2 ASN 64 8.623 0.123 3.023 464 H LYS 65 HN LYS 65 6.786 4.614 5.841 465 HA LYS 65 HA LYS 65 6.168 6.804 5.761 466 HB2 LYS 65 2HB LYS 65 8.491 6.793 7.533 467 HB3 LYS 65 3HB LYS 65 8.286 8.323 6.689 468 HG2 LYS 65 2HG LYS 65 6.148 6.953 8.307 469 HG3 LYS 65 3HG LYS 65 7.175 8.266 8.886 470 HD2 LYS 65 2HD LYS 65 5.098 8.342 6.711 471 HD3 LYS 65 3HD LYS 65 5.147 9.275 8.207 472 HE2 LYS 65 2HE LYS 65 6.964 9.545 5.818 473 HE3 LYS 65 3HE LYS 65 5.775 10.712 6.394 474 HZ1 LYS 65 1HZ LYS 65 8.412 10.049 7.500 475 HZ2 LYS 65 2HZ LYS 65 7.204 10.594 8.550 476 HZ3 LYS 65 3HZ LYS 65 7.700 11.564 7.255 477 H ASP 66 HN ASP 66 6.051 7.879 3.913 478 HA ASP 66 HA ASP 66 8.174 9.214 2.677 479 HB2 ASP 66 2HB ASP 66 8.074 6.423 2.053 480 HB3 ASP 66 3HB ASP 66 7.651 7.338 0.609 481 H GLY 67 HN GLY 67 5.195 7.411 1.935 482 HA2 GLY 67 1HA GLY 67 3.360 9.245 1.554 483 HA3 GLY 67 2HA GLY 67 4.355 9.571 0.143 484 H SER 68 HN SER 68 3.440 6.487 1.648 485 HA SER 68 HA SER 68 1.624 5.835 -0.490 486 HB2 SER 68 2HB SER 68 4.138 4.175 -0.228 487 HB3 SER 68 3HB SER 68 2.847 3.979 -1.413 488 HG SER 68 HG SER 68 3.429 6.150 -2.134 489 H LEU 69 HN LEU 69 3.720 3.838 1.579 490 HA LEU 69 HA LEU 69 1.902 3.357 3.629 491 HB2 LEU 69 2HB LEU 69 1.121 1.089 3.039 492 HB3 LEU 69 3HB LEU 69 0.457 2.353 2.005 493 HG LEU 69 HG LEU 69 1.044 0.283 0.786 494 HD11 LEU 69 1HD1 LEU 69 1.144 2.685 -0.151 495 HD12 LEU 69 2HD1 LEU 69 1.875 1.378 -1.082 496 HD13 LEU 69 3HD1 LEU 69 2.892 2.454 -0.124 497 HD21 LEU 69 1HD2 LEU 69 3.922 1.000 1.251 498 HD22 LEU 69 2HD2 LEU 69 3.250 -0.472 0.549 499 HD23 LEU 69 3HD2 LEU 69 3.071 -0.155 2.276 500 H GLN 70 HN GLN 70 2.380 0.851 4.449 501 HA GLN 70 HA GLN 70 5.224 0.287 4.157 502 HB2 GLN 70 2HB GLN 70 5.301 1.796 5.995 503 HB3 GLN 70 3HB GLN 70 3.902 1.051 6.756 504 HG2 GLN 70 2HG GLN 70 5.803 0.366 7.978 505 HG3 GLN 70 3HG GLN 70 5.272 -1.024 7.033 506 HE21 GLN 70 1HE2 GLN 70 7.875 0.848 7.906 507 HE22 GLN 70 2HE2 GLN 70 8.994 0.341 6.691 508 H CYS 71 HN CYS 71 5.844 -1.792 5.020 509 HA CYS 71 HA CYS 71 3.670 -3.713 4.810 510 HB2 CYS 71 2HB CYS 71 5.606 -4.236 3.505 511 HB3 CYS 71 3HB CYS 71 6.674 -4.008 4.886 512 HA PRO 72 HA PRO 72 3.507 -3.785 9.300 513 HB2 PRO 72 2HB PRO 72 1.270 -5.318 9.421 514 HB3 PRO 72 3HB PRO 72 1.228 -3.581 9.094 515 HG2 PRO 72 2HG PRO 72 1.064 -5.874 7.176 516 HG3 PRO 72 3HG PRO 72 0.117 -4.376 7.212 517 HD2 PRO 72 2HD PRO 72 2.209 -4.738 5.531 518 HD3 PRO 72 3HD PRO 72 1.786 -3.149 6.200 519 H SER 73 HN SER 73 4.314 -6.134 7.090 520 HA SER 73 HA SER 73 4.409 -8.301 9.060 521 HB2 SER 73 2HB SER 73 3.642 -9.314 7.157 522 HB3 SER 73 3HB SER 73 4.444 -8.159 6.092 523 HG SER 73 HG SER 73 5.744 -10.215 7.556 524 H CYS 74 HN CYS 74 6.672 -7.842 6.413 525 HA CYS 74 HA CYS 74 8.886 -8.150 8.269 526 HB2 CYS 74 2HB CYS 74 10.242 -8.583 6.370 527 HB3 CYS 74 3HB CYS 74 8.706 -9.383 6.054 528 H LYS 75 HN LYS 75 7.380 -5.687 8.360 529 HA LYS 75 HA LYS 75 7.601 -3.396 8.104 530 HB2 LYS 75 2HB LYS 75 10.326 -4.167 9.163 531 HB3 LYS 75 3HB LYS 75 9.568 -2.588 9.316 532 HG2 LYS 75 2HG LYS 75 7.849 -4.664 10.341 533 HG3 LYS 75 3HG LYS 75 9.434 -4.702 11.116 534 HD2 LYS 75 2HD LYS 75 8.265 -2.022 10.792 535 HD3 LYS 75 3HD LYS 75 7.385 -3.095 11.883 536 HE2 LYS 75 2HE LYS 75 8.853 -2.368 13.418 537 HE3 LYS 75 3HE LYS 75 9.950 -3.526 12.667 538 HZ1 LYS 75 1HZ LYS 75 10.417 -1.485 11.108 539 HZ2 LYS 75 2HZ LYS 75 11.221 -1.661 12.585 540 HZ3 LYS 75 3HZ LYS 75 9.902 -0.608 12.460 541 H THR 76 HN THR 76 8.230 -4.780 5.655 542 HA THR 76 HA THR 76 10.615 -3.847 4.482 543 HB THR 76 HB THR 76 8.257 -5.274 3.599 544 HG1 THR 76 1HG THR 76 10.977 -5.057 2.826 545 HG21 THR 76 1HG2 THR 76 7.726 -3.335 2.278 546 HG22 THR 76 2HG2 THR 76 8.410 -4.562 1.211 547 HG23 THR 76 3HG2 THR 76 9.396 -3.195 1.730 Start of MODEL 6 1 H1 ASN 1 HN ASN 1 3.522 4.948 -6.175 2 HA ASN 1 HA ASN 1 3.367 4.193 -3.332 3 HB2 ASN 1 2HB ASN 1 1.555 2.634 -3.913 4 HB3 ASN 1 3HB ASN 1 1.119 4.296 -4.303 5 HD21 ASN 1 1HD2 ASN 1 0.435 4.727 -6.286 6 HD22 ASN 1 2HD2 ASN 1 0.541 3.657 -7.638 7 H TYR 2 HN TYR 2 3.967 2.043 -2.806 8 HA TYR 2 HA TYR 2 5.938 0.940 -4.661 9 HB2 TYR 2 2HB TYR 2 5.711 -0.382 -2.069 10 HB3 TYR 2 3HB TYR 2 7.117 0.340 -2.845 11 HD1 TYR 2 1HD TYR 2 6.261 3.156 -3.092 12 HD2 TYR 2 2HD TYR 2 5.786 0.410 0.123 13 HE1 TYR 2 1HE TYR 2 6.174 5.035 -1.508 14 HE2 TYR 2 2HE TYR 2 5.696 2.281 1.716 15 HH TYR 2 HH TYR 2 5.642 4.492 1.959 16 H THR 3 HN THR 3 2.764 0.397 -3.636 17 HA THR 3 HA THR 3 2.870 -2.434 -4.430 18 HB THR 3 HB THR 3 1.032 -2.890 -3.103 19 HG1 THR 3 1HG THR 3 -0.345 -1.269 -3.941 20 HG21 THR 3 1HG2 THR 3 1.620 -0.707 -1.284 21 HG22 THR 3 2HG2 THR 3 3.089 -1.440 -1.931 22 HG23 THR 3 3HG2 THR 3 1.900 -2.438 -1.094 23 H GLU 4 HN GLU 4 1.590 -3.209 -6.063 24 HA GLU 4 HA GLU 4 0.333 -1.172 -7.761 25 HB2 GLU 4 2HB GLU 4 2.083 -2.529 -8.814 26 HB3 GLU 4 3HB GLU 4 1.198 -3.994 -8.415 27 HG2 GLU 4 2HG GLU 4 -0.714 -2.814 -9.780 28 HG3 GLU 4 3HG GLU 4 0.645 -1.948 -10.495 29 H GLU 5 HN GLU 5 -1.767 -0.938 -7.331 30 HA GLU 5 HA GLU 5 -3.498 -2.527 -6.003 31 HB2 GLU 5 2HB GLU 5 -3.797 -0.219 -7.303 32 HB3 GLU 5 3HB GLU 5 -4.584 -1.269 -8.473 33 HG2 GLU 5 2HG GLU 5 -6.209 -1.960 -6.896 34 HG3 GLU 5 3HG GLU 5 -5.328 -1.213 -5.565 35 H LEU 6 HN LEU 6 -4.735 -4.309 -6.351 36 HA LEU 6 HA LEU 6 -4.237 -5.770 -8.857 37 HB2 LEU 6 2HB LEU 6 -5.313 -7.039 -6.373 38 HB3 LEU 6 3HB LEU 6 -4.415 -7.774 -7.700 39 HG LEU 6 HG LEU 6 -3.306 -6.017 -5.513 40 HD11 LEU 6 1HD1 LEU 6 -1.903 -8.318 -5.457 41 HD12 LEU 6 2HD1 LEU 6 -3.479 -8.917 -5.974 42 HD13 LEU 6 3HD1 LEU 6 -3.331 -8.009 -4.469 43 HD21 LEU 6 1HD2 LEU 6 -1.689 -7.386 -7.634 44 HD22 LEU 6 2HD2 LEU 6 -1.215 -6.087 -6.537 45 HD23 LEU 6 3HD2 LEU 6 -2.319 -5.756 -7.872 46 H LYS 7 HN LYS 7 -5.864 -5.895 -10.240 47 HA LYS 7 HA LYS 7 -8.338 -4.809 -10.038 48 HB2 LYS 7 2HB LYS 7 -7.111 -6.854 -11.725 49 HB3 LYS 7 3HB LYS 7 -8.851 -7.054 -11.571 50 HG2 LYS 7 2HG LYS 7 -9.243 -5.365 -12.953 51 HG3 LYS 7 3HG LYS 7 -8.169 -4.294 -12.049 52 HD2 LYS 7 2HD LYS 7 -7.179 -4.387 -14.152 53 HD3 LYS 7 3HD LYS 7 -6.266 -5.583 -13.229 54 HE2 LYS 7 2HE LYS 7 -7.978 -7.274 -14.143 55 HE3 LYS 7 3HE LYS 7 -8.380 -6.018 -15.313 56 HZ1 LYS 7 1HZ LYS 7 -5.579 -6.333 -15.170 57 HZ2 LYS 7 2HZ LYS 7 -6.604 -6.554 -16.497 58 HZ3 LYS 7 3HZ LYS 7 -6.295 -7.841 -15.443 59 H VAL 8 HN VAL 8 -7.252 -7.716 -8.535 60 HA VAL 8 HA VAL 8 -9.786 -7.955 -7.138 61 HB VAL 8 HB VAL 8 -9.315 -10.610 -7.660 62 HG11 VAL 8 1HG1 VAL 8 -11.438 -10.593 -8.487 63 HG12 VAL 8 2HG1 VAL 8 -11.417 -8.993 -7.741 64 HG13 VAL 8 3HG1 VAL 8 -11.161 -9.162 -9.478 65 HG21 VAL 8 1HG2 VAL 8 -9.224 -10.733 -10.156 66 HG22 VAL 8 2HG2 VAL 8 -8.779 -9.026 -10.168 67 HG23 VAL 8 3HG2 VAL 8 -7.722 -10.208 -9.395 68 HA PRO 9 HA PRO 9 -7.251 -9.134 -3.755 69 HB2 PRO 9 2HB PRO 9 -8.861 -10.862 -2.418 70 HB3 PRO 9 3HB PRO 9 -9.149 -9.119 -2.461 71 HG2 PRO 9 2HG PRO 9 -10.426 -11.291 -4.079 72 HG3 PRO 9 3HG PRO 9 -11.178 -9.887 -3.301 73 HD2 PRO 9 2HD PRO 9 -10.613 -9.957 -5.948 74 HD3 PRO 9 3HD PRO 9 -10.561 -8.457 -4.999 75 HA PRO 10 HA PRO 10 -5.166 -12.834 -5.053 76 HB2 PRO 10 2HB PRO 10 -3.331 -12.896 -3.053 77 HB3 PRO 10 3HB PRO 10 -3.230 -11.773 -4.414 78 HG2 PRO 10 2HG PRO 10 -4.250 -11.298 -1.641 79 HG3 PRO 10 3HG PRO 10 -3.216 -10.265 -2.645 80 HD2 PRO 10 2HD PRO 10 -5.872 -9.828 -2.357 81 HD3 PRO 10 3HD PRO 10 -4.998 -9.442 -3.854 82 H ASP 11 HN ASP 11 -4.530 -13.097 -1.655 83 HA ASP 11 HA ASP 11 -6.610 -14.567 -0.666 84 HB2 ASP 11 2HB ASP 11 -5.020 -16.099 -2.605 85 HB3 ASP 11 3HB ASP 11 -5.230 -16.905 -1.053 86 H GLU 12 HN GLU 12 -4.428 -12.869 0.127 87 HA GLU 12 HA GLU 12 -2.880 -14.593 1.927 88 HB2 GLU 12 2HB GLU 12 -1.782 -12.835 0.417 89 HB3 GLU 12 3HB GLU 12 -2.463 -11.640 1.511 90 HG2 GLU 12 2HG GLU 12 -0.935 -13.831 2.759 91 HG3 GLU 12 3HG GLU 12 -0.014 -12.682 1.790 92 H ASP 13 HN ASP 13 -5.113 -11.871 1.894 93 HA ASP 13 HA ASP 13 -6.594 -11.181 3.500 94 HB2 ASP 13 2HB ASP 13 -7.234 -12.729 4.985 95 HB3 ASP 13 3HB ASP 13 -5.914 -13.738 4.398 96 H CYS 14 HN CYS 14 -6.393 -9.295 4.516 97 HA CYS 14 HA CYS 14 -4.040 -7.985 4.972 98 HB2 CYS 14 2HB CYS 14 -6.193 -6.845 4.979 99 HB3 CYS 14 3HB CYS 14 -6.641 -7.649 6.480 100 H ILE 15 HN ILE 15 -2.715 -7.572 6.747 101 HA ILE 15 HA ILE 15 -2.755 -9.682 8.786 102 HB ILE 15 HB ILE 15 -0.399 -8.245 9.114 103 HG12 ILE 15 2HG1 ILE 15 -0.915 -8.673 6.163 104 HG13 ILE 15 3HG1 ILE 15 -0.887 -7.104 6.959 105 HG21 ILE 15 1HG2 ILE 15 0.295 -10.386 7.530 106 HG22 ILE 15 2HG2 ILE 15 0.073 -10.419 9.278 107 HG23 ILE 15 3HG2 ILE 15 -1.256 -10.875 8.213 108 HD11 ILE 15 1HD1 ILE 15 1.221 -8.161 5.709 109 HD12 ILE 15 2HD1 ILE 15 1.362 -7.059 7.079 110 HD13 ILE 15 3HD1 ILE 15 1.495 -8.799 7.331 111 H ILE 16 HN ILE 16 -3.139 -6.281 8.349 112 HA ILE 16 HA ILE 16 -2.547 -5.402 10.964 113 HB ILE 16 HB ILE 16 -4.655 -4.088 9.287 114 HG12 ILE 16 2HG1 ILE 16 -1.968 -4.720 8.439 115 HG13 ILE 16 3HG1 ILE 16 -3.263 -3.940 7.539 116 HG21 ILE 16 1HG2 ILE 16 -4.194 -3.108 11.441 117 HG22 ILE 16 2HG2 ILE 16 -2.467 -3.065 11.090 118 HG23 ILE 16 3HG2 ILE 16 -3.579 -2.047 10.175 119 HD11 ILE 16 1HD1 ILE 16 -1.440 -2.511 9.455 120 HD12 ILE 16 2HD1 ILE 16 -1.194 -2.594 7.711 121 HD13 ILE 16 3HD1 ILE 16 -2.621 -1.790 8.363 122 H CYS 17 HN CYS 17 -5.799 -5.587 9.516 123 HA CYS 17 HA CYS 17 -6.906 -6.050 12.181 124 HB2 CYS 17 2HB CYS 17 -9.066 -5.527 11.179 125 HB3 CYS 17 3HB CYS 17 -7.897 -4.270 10.788 126 H MET 18 HN MET 18 -5.482 -8.083 10.435 127 HA MET 18 HA MET 18 -5.817 -10.203 9.572 128 HB2 MET 18 2HB MET 18 -7.219 -11.457 11.553 129 HB3 MET 18 3HB MET 18 -5.490 -11.141 11.592 130 HG2 MET 18 2HG MET 18 -5.945 -9.024 12.781 131 HG3 MET 18 3HG MET 18 -7.654 -9.450 12.818 132 HE1 MET 18 1HE MET 18 -4.102 -10.664 15.005 133 HE2 MET 18 2HE MET 18 -4.472 -12.208 14.237 134 HE3 MET 18 3HE MET 18 -4.253 -10.763 13.250 135 H GLU 19 HN GLU 19 -7.335 -9.279 7.911 136 HA GLU 19 HA GLU 19 -9.939 -10.610 8.173 137 HB2 GLU 19 2HB GLU 19 -9.445 -7.759 7.853 138 HB3 GLU 19 3HB GLU 19 -10.453 -8.404 6.566 139 HG2 GLU 19 2HG GLU 19 -11.071 -9.018 9.423 140 HG3 GLU 19 3HG GLU 19 -11.561 -7.485 8.705 141 H LYS 20 HN LYS 20 -11.049 -10.353 5.825 142 HA LYS 20 HA LYS 20 -9.292 -11.810 4.064 143 HB2 LYS 20 2HB LYS 20 -12.198 -11.072 4.026 144 HB3 LYS 20 3HB LYS 20 -11.426 -11.675 2.565 145 HG2 LYS 20 2HG LYS 20 -10.688 -13.669 3.919 146 HG3 LYS 20 3HG LYS 20 -11.761 -13.088 5.195 147 HD2 LYS 20 2HD LYS 20 -13.453 -13.005 3.112 148 HD3 LYS 20 3HD LYS 20 -12.401 -14.320 2.583 149 HE2 LYS 20 2HE LYS 20 -12.805 -15.503 4.672 150 HE3 LYS 20 3HE LYS 20 -13.810 -14.173 5.247 151 HZ1 LYS 20 1HZ LYS 20 -14.541 -15.375 2.693 152 HZ2 LYS 20 2HZ LYS 20 -15.528 -14.778 3.930 153 HZ3 LYS 20 3HZ LYS 20 -14.817 -16.306 4.078 154 H LEU 21 HN LEU 21 -8.156 -11.013 2.418 155 HA LEU 21 HA LEU 21 -7.924 -8.255 1.948 156 HB2 LEU 21 2HB LEU 21 -6.946 -10.723 0.620 157 HB3 LEU 21 3HB LEU 21 -6.854 -9.213 -0.283 158 HG LEU 21 HG LEU 21 -5.516 -9.841 2.346 159 HD11 LEU 21 1HD1 LEU 21 -4.513 -10.803 0.279 160 HD12 LEU 21 2HD1 LEU 21 -3.469 -9.662 1.125 161 HD13 LEU 21 3HD1 LEU 21 -4.322 -9.161 -0.335 162 HD21 LEU 21 1HD2 LEU 21 -5.973 -7.276 0.903 163 HD22 LEU 21 2HD2 LEU 21 -4.434 -7.526 1.730 164 HD23 LEU 21 3HD2 LEU 21 -5.947 -7.610 2.634 165 H SER 22 HN SER 22 -10.333 -10.379 1.004 166 HA SER 22 HA SER 22 -10.968 -9.051 -1.497 167 HB2 SER 22 2HB SER 22 -12.422 -10.782 -1.909 168 HB3 SER 22 3HB SER 22 -11.334 -11.590 -0.779 169 HG SER 22 HG SER 22 -12.942 -11.785 0.544 170 H THR 23 HN THR 23 -12.197 -9.236 1.801 171 HA THR 23 HA THR 23 -14.583 -7.811 1.431 172 HB THR 23 HB THR 23 -12.814 -8.143 3.850 173 HG1 THR 23 1HG THR 23 -15.064 -9.406 2.772 174 HG21 THR 23 1HG2 THR 23 -15.294 -7.378 4.787 175 HG22 THR 23 2HG2 THR 23 -15.018 -6.283 3.432 176 HG23 THR 23 3HG2 THR 23 -13.848 -6.370 4.748 177 H ALA 24 HN ALA 24 -12.262 -6.319 3.561 178 HA ALA 24 HA ALA 24 -11.426 -4.198 1.923 179 HB1 ALA 24 1HB ALA 24 -13.057 -2.618 3.506 180 HB2 ALA 24 2HB ALA 24 -13.269 -2.956 1.787 181 HB3 ALA 24 3HB ALA 24 -14.108 -3.937 2.990 182 H SER 25 HN SER 25 -10.814 -2.207 3.409 183 HA SER 25 HA SER 25 -9.042 -3.240 5.383 184 HB2 SER 25 2HB SER 25 -7.994 -1.289 5.034 185 HB3 SER 25 3HB SER 25 -9.279 -0.857 3.906 186 HG SER 25 HG SER 25 -8.882 -0.070 6.548 187 H GLY 26 HN GLY 26 -9.381 -3.583 7.478 188 HA2 GLY 26 1HA GLY 26 -11.942 -3.016 8.646 189 HA3 GLY 26 2HA GLY 26 -10.579 -3.786 9.444 190 H TYR 27 HN TYR 27 -9.372 -1.041 8.136 191 HA TYR 27 HA TYR 27 -9.640 0.383 10.684 192 HB2 TYR 27 2HB TYR 27 -7.584 0.393 8.502 193 HB3 TYR 27 3HB TYR 27 -7.717 1.776 9.582 194 HD1 TYR 27 1HD TYR 27 -8.626 -1.292 11.157 195 HD2 TYR 27 2HD TYR 27 -5.289 1.123 10.093 196 HE1 TYR 27 1HE TYR 27 -7.253 -2.465 12.827 197 HE2 TYR 27 2HE TYR 27 -3.906 -0.044 11.758 198 HH TYR 27 HH TYR 27 -5.121 -2.830 13.529 199 H SER 28 HN SER 28 -10.618 0.500 7.413 200 HA SER 28 HA SER 28 -10.839 3.135 6.762 201 HB2 SER 28 2HB SER 28 -11.788 0.872 5.657 202 HB3 SER 28 3HB SER 28 -13.294 1.533 6.290 203 HG SER 28 HG SER 28 -11.543 3.174 4.825 204 H ASP 29 HN ASP 29 -12.422 1.506 9.338 205 HA ASP 29 HA ASP 29 -14.733 2.900 9.772 206 HB2 ASP 29 2HB ASP 29 -12.873 1.387 11.403 207 HB3 ASP 29 3HB ASP 29 -13.585 2.715 12.316 208 H VAL 30 HN VAL 30 -11.622 3.804 11.272 209 HA VAL 30 HA VAL 30 -12.348 6.627 10.931 210 HB VAL 30 HB VAL 30 -11.018 6.562 13.376 211 HG11 VAL 30 1HG1 VAL 30 -13.974 6.673 13.406 212 HG12 VAL 30 2HG1 VAL 30 -12.788 7.799 14.068 213 HG13 VAL 30 3HG1 VAL 30 -13.146 7.809 12.341 214 HG21 VAL 30 1HG2 VAL 30 -12.071 4.989 14.765 215 HG22 VAL 30 2HG2 VAL 30 -13.281 4.593 13.545 216 HG23 VAL 30 3HG2 VAL 30 -11.608 4.078 13.328 217 H THR 31 HN THR 31 -10.787 6.701 9.273 218 HA THR 31 HA THR 31 -8.051 6.946 10.277 219 HB THR 31 HB THR 31 -7.515 5.896 7.835 220 HG1 THR 31 1HG THR 31 -10.041 5.185 8.362 221 HG21 THR 31 1HG2 THR 31 -7.760 4.572 10.523 222 HG22 THR 31 2HG2 THR 31 -6.308 5.162 9.715 223 HG23 THR 31 3HG2 THR 31 -7.124 3.717 9.119 224 H ASP 32 HN ASP 32 -6.975 8.648 9.448 225 HA ASP 32 HA ASP 32 -8.413 10.395 7.635 226 HB2 ASP 32 2HB ASP 32 -5.665 11.025 8.625 227 HB3 ASP 32 3HB ASP 32 -7.040 12.098 8.374 228 H SER 33 HN SER 33 -8.163 8.709 5.895 229 HA SER 33 HA SER 33 -5.600 9.093 4.490 230 HB2 SER 33 2HB SER 33 -7.205 6.752 3.706 231 HB3 SER 33 3HB SER 33 -5.470 6.887 3.990 232 HG SER 33 HG SER 33 -7.447 6.781 6.025 233 H LYS 34 HN LYS 34 -5.837 10.395 2.810 234 HA LYS 34 HA LYS 34 -8.364 10.302 1.296 235 HB2 LYS 34 2HB LYS 34 -6.466 12.620 1.701 236 HB3 LYS 34 3HB LYS 34 -7.864 12.649 0.635 237 HG2 LYS 34 2HG LYS 34 -7.877 12.347 3.629 238 HG3 LYS 34 3HG LYS 34 -8.423 13.740 2.692 239 HD2 LYS 34 2HD LYS 34 -10.151 12.292 1.649 240 HD3 LYS 34 3HD LYS 34 -9.647 10.982 2.719 241 HE2 LYS 34 2HE LYS 34 -11.658 12.578 3.337 242 HE3 LYS 34 3HE LYS 34 -10.561 11.956 4.569 243 HZ1 LYS 34 1HZ LYS 34 -9.304 14.023 4.427 244 HZ2 LYS 34 2HZ LYS 34 -10.916 14.319 4.843 245 HZ3 LYS 34 3HZ LYS 34 -10.381 14.619 3.267 246 H ALA 35 HN ALA 35 -6.102 8.576 0.858 247 HA ALA 35 HA ALA 35 -5.400 9.428 -1.870 248 HB1 ALA 35 1HB ALA 35 -3.571 9.342 0.121 249 HB2 ALA 35 2HB ALA 35 -3.440 7.703 -0.519 250 HB3 ALA 35 3HB ALA 35 -3.195 9.088 -1.584 251 H LEU 36 HN LEU 36 -6.109 6.818 0.357 252 HA LEU 36 HA LEU 36 -6.569 5.050 -1.954 253 HB2 LEU 36 2HB LEU 36 -5.845 4.047 0.777 254 HB3 LEU 36 3HB LEU 36 -5.802 3.184 -0.759 255 HG LEU 36 HG LEU 36 -3.980 5.509 -0.417 256 HD11 LEU 36 1HD1 LEU 36 -2.779 4.669 1.248 257 HD12 LEU 36 2HD1 LEU 36 -2.697 3.094 0.460 258 HD13 LEU 36 3HD1 LEU 36 -4.057 3.483 1.512 259 HD21 LEU 36 1HD2 LEU 36 -2.673 4.406 -1.975 260 HD22 LEU 36 2HD2 LEU 36 -4.307 3.981 -2.483 261 HD23 LEU 36 3HD2 LEU 36 -3.340 2.824 -1.568 262 H GLY 37 HN GLY 37 -8.428 3.819 -1.958 263 HA2 GLY 37 1HA GLY 37 -10.637 4.837 -0.496 264 HA3 GLY 37 2HA GLY 37 -10.650 3.415 -1.529 265 H SER 38 HN SER 38 -9.975 1.381 -0.619 266 HA SER 38 HA SER 38 -9.196 0.749 1.888 267 HB2 SER 38 2HB SER 38 -10.773 1.630 3.246 268 HB3 SER 38 3HB SER 38 -11.924 1.835 1.925 269 HG SER 38 HG SER 38 -12.719 -0.126 2.284 270 H LEU 39 HN LEU 39 -11.589 0.080 -0.585 271 HA LEU 39 HA LEU 39 -11.561 -2.771 -0.014 272 HB2 LEU 39 2HB LEU 39 -13.582 -1.341 -0.776 273 HB3 LEU 39 3HB LEU 39 -12.884 -1.510 -2.385 274 HG LEU 39 HG LEU 39 -13.363 -3.981 -0.800 275 HD11 LEU 39 1HD1 LEU 39 -15.662 -4.091 -1.337 276 HD12 LEU 39 2HD1 LEU 39 -15.576 -2.636 -2.328 277 HD13 LEU 39 3HD1 LEU 39 -15.407 -2.519 -0.577 278 HD21 LEU 39 1HD2 LEU 39 -13.006 -3.160 -3.601 279 HD22 LEU 39 2HD2 LEU 39 -14.216 -4.415 -3.330 280 HD23 LEU 39 3HD2 LEU 39 -12.555 -4.659 -2.786 281 H ALA 40 HN ALA 40 -9.206 -1.163 -1.083 282 HA ALA 40 HA ALA 40 -8.724 -2.727 -3.531 283 HB1 ALA 40 1HB ALA 40 -7.897 -0.010 -2.677 284 HB2 ALA 40 2HB ALA 40 -6.769 -0.939 -3.666 285 HB3 ALA 40 3HB ALA 40 -8.392 -0.599 -4.264 286 H VAL 41 HN VAL 41 -6.692 -3.742 -3.814 287 HA VAL 41 HA VAL 41 -5.210 -4.197 -1.306 288 HB VAL 41 HB VAL 41 -5.072 -6.307 -3.363 289 HG11 VAL 41 1HG1 VAL 41 -5.060 -6.045 -0.407 290 HG12 VAL 41 2HG1 VAL 41 -5.599 -7.578 -1.093 291 HG13 VAL 41 3HG1 VAL 41 -3.990 -6.962 -1.468 292 HG21 VAL 41 1HG2 VAL 41 -7.306 -7.175 -2.178 293 HG22 VAL 41 2HG2 VAL 41 -7.635 -5.442 -2.161 294 HG23 VAL 41 3HG2 VAL 41 -7.317 -6.265 -3.688 295 H GLY 42 HN GLY 42 -2.997 -4.191 -1.380 296 HA2 GLY 42 1HA GLY 42 -1.701 -3.900 -3.999 297 HA3 GLY 42 2HA GLY 42 -1.465 -2.637 -2.801 298 H HIS 43 HN HIS 43 0.163 -4.970 -4.148 299 HA HIS 43 HA HIS 43 1.292 -6.097 -1.685 300 HB2 HIS 43 2HB HIS 43 2.148 -7.869 -2.965 301 HB3 HIS 43 3HB HIS 43 0.565 -7.561 -3.671 302 HD1 HIS 43 1HD HIS 43 4.074 -7.872 -4.537 303 HD2 HIS 43 2HD HIS 43 0.742 -5.979 -6.142 304 HE1 HIS 43 1HE HIS 43 4.679 -7.353 -6.923 305 H LEU 44 HN LEU 44 2.928 -4.979 -0.861 306 HA LEU 44 HA LEU 44 4.373 -2.966 -2.059 307 HB2 LEU 44 2HB LEU 44 4.363 -4.233 0.402 308 HB3 LEU 44 3HB LEU 44 6.001 -4.491 -0.199 309 HG LEU 44 HG LEU 44 5.754 -1.850 -0.653 310 HD11 LEU 44 1HD1 LEU 44 4.130 -2.376 1.831 311 HD12 LEU 44 2HD1 LEU 44 3.498 -1.766 0.303 312 HD13 LEU 44 3HD1 LEU 44 4.643 -0.799 1.231 313 HD21 LEU 44 1HD2 LEU 44 7.309 -3.423 0.872 314 HD22 LEU 44 2HD2 LEU 44 6.452 -2.533 2.131 315 HD23 LEU 44 3HD2 LEU 44 7.376 -1.661 0.906 316 H THR 45 HN THR 45 5.708 -2.957 -3.729 317 HA THR 45 HA THR 45 6.814 -5.383 -4.791 318 HB THR 45 HB THR 45 7.775 -3.987 -6.540 319 HG1 THR 45 1HG THR 45 8.161 -2.188 -4.930 320 HG21 THR 45 1HG2 THR 45 5.026 -4.181 -5.927 321 HG22 THR 45 2HG2 THR 45 5.770 -3.943 -7.508 322 HG23 THR 45 3HG2 THR 45 5.299 -2.550 -6.536 323 H LYS 46 HN LYS 46 7.699 -3.844 -2.154 324 HA LYS 46 HA LYS 46 10.570 -3.724 -2.663 325 HB2 LYS 46 2HB LYS 46 8.847 -2.949 -0.315 326 HB3 LYS 46 3HB LYS 46 10.601 -2.992 -0.208 327 HG2 LYS 46 2HG LYS 46 9.700 -1.507 -2.523 328 HG3 LYS 46 3HG LYS 46 9.045 -0.858 -1.019 329 HD2 LYS 46 2HD LYS 46 11.893 -1.562 -0.912 330 HD3 LYS 46 3HD LYS 46 11.499 -0.258 -2.036 331 HE2 LYS 46 2HE LYS 46 10.245 -0.126 0.639 332 HE3 LYS 46 3HE LYS 46 11.987 0.133 0.576 333 HZ1 LYS 46 1HZ LYS 46 10.620 1.582 -1.467 334 HZ2 LYS 46 2HZ LYS 46 11.696 2.144 -0.289 335 HZ3 LYS 46 3HZ LYS 46 10.051 1.997 0.072 336 H CYS 47 HN CYS 47 8.228 -5.529 -0.725 337 HA CYS 47 HA CYS 47 10.318 -7.547 -0.231 338 HB2 CYS 47 2HB CYS 47 9.050 -8.073 1.896 339 HB3 CYS 47 3HB CYS 47 9.902 -6.533 1.883 340 H SER 48 HN SER 48 7.246 -6.832 -1.477 341 HA SER 48 HA SER 48 5.896 -8.173 -2.781 342 HB2 SER 48 2HB SER 48 6.535 -10.289 -3.367 343 HB3 SER 48 3HB SER 48 8.066 -9.752 -2.676 344 HG SER 48 HG SER 48 6.306 -11.650 -1.781 345 H HIS 49 HN HIS 49 5.404 -7.249 -0.096 346 HA HIS 49 HA HIS 49 3.705 -9.390 0.989 347 HB2 HIS 49 2HB HIS 49 4.600 -6.812 2.294 348 HB3 HIS 49 3HB HIS 49 3.661 -8.086 3.064 349 HD2 HIS 49 2HD HIS 49 6.786 -9.064 0.945 350 HE1 HIS 49 1HE HIS 49 7.688 -9.673 5.046 351 HE2 HIS 49 2HE HIS 49 8.505 -9.922 2.676 352 H ALA 50 HN ALA 50 1.530 -9.167 1.138 353 HA ALA 50 HA ALA 50 0.375 -6.717 -0.019 354 HB1 ALA 50 1HB ALA 50 -0.354 -8.304 -1.478 355 HB2 ALA 50 2HB ALA 50 -0.330 -9.588 -0.268 356 HB3 ALA 50 3HB ALA 50 -1.647 -8.415 -0.282 357 H PHE 51 HN PHE 51 -1.859 -6.209 0.766 358 HA PHE 51 HA PHE 51 -3.011 -7.150 3.082 359 HB2 PHE 51 2HB PHE 51 -2.107 -4.946 4.441 360 HB3 PHE 51 3HB PHE 51 -1.512 -6.587 4.668 361 HD1 PHE 51 1HD PHE 51 0.706 -6.102 5.301 362 HD2 PHE 51 2HD PHE 51 -0.890 -4.474 1.706 363 HE1 PHE 51 1HE PHE 51 2.960 -5.377 4.633 364 HE2 PHE 51 2HE PHE 51 1.361 -3.748 1.032 365 HZ PHE 51 HZ PHE 51 3.290 -4.199 2.495 366 H HIS 52 HN HIS 52 -4.032 -4.989 4.340 367 HA HIS 52 HA HIS 52 -5.699 -3.838 2.281 368 HB2 HIS 52 2HB HIS 52 -5.721 -3.730 5.290 369 HB3 HIS 52 3HB HIS 52 -6.797 -2.725 4.323 370 HD2 HIS 52 2HD HIS 52 -7.322 -5.360 2.151 371 HE1 HIS 52 1HE HIS 52 -9.286 -6.886 5.588 372 HE2 HIS 52 2HE HIS 52 -8.936 -7.141 3.107 373 H LEU 53 HN LEU 53 -4.991 -2.134 1.181 374 HA LEU 53 HA LEU 53 -2.912 -0.476 1.646 375 HB2 LEU 53 2HB LEU 53 -5.578 0.182 0.418 376 HB3 LEU 53 3HB LEU 53 -4.208 1.290 0.386 377 HG LEU 53 HG LEU 53 -3.960 -1.478 -0.735 378 HD11 LEU 53 1HD1 LEU 53 -5.951 0.026 -1.641 379 HD12 LEU 53 2HD1 LEU 53 -4.953 -0.959 -2.711 380 HD13 LEU 53 3HD1 LEU 53 -4.634 0.768 -2.549 381 HD21 LEU 53 1HD2 LEU 53 -2.462 1.078 -0.831 382 HD22 LEU 53 2HD2 LEU 53 -2.465 0.081 -2.286 383 HD23 LEU 53 3HD2 LEU 53 -1.872 -0.582 -0.762 384 H LEU 54 HN LEU 54 -6.217 0.664 2.339 385 HA LEU 54 HA LEU 54 -5.712 2.878 3.785 386 HB2 LEU 54 2HB LEU 54 -7.953 1.863 3.252 387 HB3 LEU 54 3HB LEU 54 -7.745 0.843 4.674 388 HG LEU 54 HG LEU 54 -8.917 2.448 5.708 389 HD11 LEU 54 1HD1 LEU 54 -6.787 2.743 6.755 390 HD12 LEU 54 2HD1 LEU 54 -7.531 4.330 6.561 391 HD13 LEU 54 3HD1 LEU 54 -6.246 3.819 5.467 392 HD21 LEU 54 1HD2 LEU 54 -8.983 4.835 4.843 393 HD22 LEU 54 2HD2 LEU 54 -9.679 3.594 3.799 394 HD23 LEU 54 3HD2 LEU 54 -8.077 4.245 3.450 395 H CYS 55 HN CYS 55 -6.127 -0.303 5.353 396 HA CYS 55 HA CYS 55 -5.466 0.305 7.913 397 HB2 CYS 55 2HB CYS 55 -4.595 -2.151 6.376 398 HB3 CYS 55 3HB CYS 55 -4.596 -2.008 8.131 399 H LEU 56 HN LEU 56 -3.118 -0.611 5.394 400 HA LEU 56 HA LEU 56 -0.817 -0.255 6.954 401 HB2 LEU 56 2HB LEU 56 -0.989 0.199 3.986 402 HB3 LEU 56 3HB LEU 56 0.414 -0.314 4.919 403 HG LEU 56 HG LEU 56 -2.000 -2.066 4.863 404 HD11 LEU 56 1HD1 LEU 56 -1.270 -1.236 2.495 405 HD12 LEU 56 2HD1 LEU 56 -1.595 -2.944 2.782 406 HD13 LEU 56 3HD1 LEU 56 0.068 -2.360 2.736 407 HD21 LEU 56 1HD2 LEU 56 0.152 -2.391 6.246 408 HD22 LEU 56 2HD2 LEU 56 0.886 -2.858 4.712 409 HD23 LEU 56 3HD2 LEU 56 -0.489 -3.765 5.345 410 H LEU 57 HN LEU 57 -2.102 1.931 4.440 411 HA LEU 57 HA LEU 57 -0.460 4.068 4.718 412 HB2 LEU 57 2HB LEU 57 -2.298 3.954 3.113 413 HB3 LEU 57 3HB LEU 57 -3.458 4.178 4.420 414 HG LEU 57 HG LEU 57 -2.810 6.177 2.881 415 HD11 LEU 57 1HD1 LEU 57 -4.085 6.023 5.186 416 HD12 LEU 57 2HD1 LEU 57 -3.641 7.576 4.478 417 HD13 LEU 57 3HD1 LEU 57 -2.655 6.880 5.763 418 HD21 LEU 57 1HD2 LEU 57 -0.706 6.656 4.934 419 HD22 LEU 57 2HD2 LEU 57 -0.875 7.327 3.311 420 HD23 LEU 57 3HD2 LEU 57 -0.315 5.667 3.526 421 H ALA 58 HN ALA 58 -3.041 3.123 6.903 422 HA ALA 58 HA ALA 58 -3.102 5.466 8.471 423 HB1 ALA 58 1HB ALA 58 -4.200 4.057 10.168 424 HB2 ALA 58 2HB ALA 58 -4.897 3.846 8.562 425 HB3 ALA 58 3HB ALA 58 -3.800 2.628 9.215 426 H MET 59 HN MET 59 -1.725 2.304 9.399 427 HA MET 59 HA MET 59 -0.161 3.435 11.491 428 HB2 MET 59 2HB MET 59 0.968 1.093 11.350 429 HB3 MET 59 3HB MET 59 -0.702 1.216 11.889 430 HG2 MET 59 2HG MET 59 -1.448 0.005 10.183 431 HG3 MET 59 3HG MET 59 -0.492 0.914 9.014 432 HE1 MET 59 1HE MET 59 2.948 -0.355 9.825 433 HE2 MET 59 2HE MET 59 2.373 -0.627 8.180 434 HE3 MET 59 3HE MET 59 1.929 0.850 9.038 435 H TYR 60 HN TYR 60 0.235 3.445 8.180 436 HA TYR 60 HA TYR 60 2.971 2.990 7.826 437 HB2 TYR 60 2HB TYR 60 2.452 3.443 5.699 438 HB3 TYR 60 3HB TYR 60 0.822 3.837 6.233 439 HD1 TYR 60 1HD TYR 60 0.975 6.350 7.533 440 HD2 TYR 60 2HD TYR 60 3.209 4.994 4.175 441 HE1 TYR 60 1HE TYR 60 1.298 8.681 6.815 442 HE2 TYR 60 2HE TYR 60 3.540 7.321 3.449 443 HH TYR 60 HH TYR 60 3.184 9.899 5.315 444 H CYS 61 HN CYS 61 1.390 5.464 9.506 445 HA CYS 61 HA CYS 61 3.225 7.590 9.088 446 HB2 CYS 61 2HB CYS 61 1.948 8.776 10.571 447 HB3 CYS 61 3HB CYS 61 0.794 7.510 10.172 448 HG CYS 61 HG CYS 61 2.230 6.115 12.557 449 H ASN 62 HN ASN 62 3.548 4.662 10.675 450 HA ASN 62 HA ASN 62 5.491 5.673 12.615 451 HB2 ASN 62 2HB ASN 62 3.647 3.881 13.095 452 HB3 ASN 62 3HB ASN 62 4.776 2.775 12.317 453 HD21 ASN 62 1HD2 ASN 62 3.875 2.766 15.047 454 HD22 ASN 62 2HD2 ASN 62 5.279 2.953 16.036 455 H GLY 63 HN GLY 63 5.321 3.013 10.235 456 HA2 GLY 63 1HA GLY 63 8.244 3.224 9.936 457 HA3 GLY 63 2HA GLY 63 7.288 1.800 9.555 458 H ASN 64 HN ASN 64 8.830 2.229 7.603 459 HA ASN 64 HA ASN 64 9.167 2.995 5.462 460 HB2 ASN 64 2HB ASN 64 6.408 1.982 5.735 461 HB3 ASN 64 3HB ASN 64 6.709 2.944 4.291 462 HD21 ASN 64 1HD2 ASN 64 6.386 1.085 3.022 463 HD22 ASN 64 2HD2 ASN 64 7.611 -0.124 2.876 464 H LYS 65 HN LYS 65 5.914 4.260 5.422 465 HA LYS 65 HA LYS 65 5.083 6.343 5.045 466 HB2 LYS 65 2HB LYS 65 7.017 6.600 7.175 467 HB3 LYS 65 3HB LYS 65 6.963 8.073 6.215 468 HG2 LYS 65 2HG LYS 65 4.298 7.178 6.728 469 HG3 LYS 65 3HG LYS 65 5.200 7.261 8.243 470 HD2 LYS 65 2HD LYS 65 5.230 9.507 6.245 471 HD3 LYS 65 3HD LYS 65 3.978 9.374 7.484 472 HE2 LYS 65 2HE LYS 65 6.779 9.125 8.400 473 HE3 LYS 65 3HE LYS 65 6.276 10.718 7.837 474 HZ1 LYS 65 1HZ LYS 65 4.580 9.257 9.744 475 HZ2 LYS 65 2HZ LYS 65 4.740 10.924 9.512 476 HZ3 LYS 65 3HZ LYS 65 5.958 10.061 10.309 477 H ASP 66 HN ASP 66 6.973 5.201 3.140 478 HA ASP 66 HA ASP 66 8.673 7.278 2.166 479 HB2 ASP 66 2HB ASP 66 8.386 4.556 1.682 480 HB3 ASP 66 3HB ASP 66 7.885 5.309 0.170 481 H GLY 67 HN GLY 67 5.337 6.730 1.992 482 HA2 GLY 67 1HA GLY 67 4.126 8.728 1.097 483 HA3 GLY 67 2HA GLY 67 5.121 8.535 -0.338 484 H SER 68 HN SER 68 3.302 6.202 1.642 485 HA SER 68 HA SER 68 1.213 5.813 -0.199 486 HB2 SER 68 2HB SER 68 1.815 3.871 -1.377 487 HB3 SER 68 3HB SER 68 3.268 4.868 -1.452 488 HG SER 68 HG SER 68 3.794 2.748 -0.862 489 H LEU 69 HN LEU 69 3.270 3.649 1.758 490 HA LEU 69 HA LEU 69 1.508 3.502 3.941 491 HB2 LEU 69 2HB LEU 69 0.724 1.155 3.599 492 HB3 LEU 69 3HB LEU 69 -0.020 2.354 2.542 493 HG LEU 69 HG LEU 69 0.737 0.019 1.618 494 HD11 LEU 69 1HD1 LEU 69 0.345 2.600 0.507 495 HD12 LEU 69 2HD1 LEU 69 0.084 1.025 -0.242 496 HD13 LEU 69 3HD1 LEU 69 1.655 1.814 -0.374 497 HD21 LEU 69 1HD2 LEU 69 3.028 0.113 2.378 498 HD22 LEU 69 2HD2 LEU 69 3.286 1.630 1.517 499 HD23 LEU 69 3HD2 LEU 69 2.989 0.142 0.615 500 H GLN 70 HN GLN 70 1.958 1.113 5.040 501 HA GLN 70 HA GLN 70 4.844 0.616 4.832 502 HB2 GLN 70 2HB GLN 70 4.414 2.156 6.725 503 HB3 GLN 70 3HB GLN 70 3.341 0.955 7.432 504 HG2 GLN 70 2HG GLN 70 5.973 -0.109 6.807 505 HG3 GLN 70 3HG GLN 70 6.020 1.237 7.946 506 HE21 GLN 70 1HE2 GLN 70 5.774 0.743 10.000 507 HE22 GLN 70 2HE2 GLN 70 5.029 -0.686 10.622 508 H CYS 71 HN CYS 71 5.530 -1.459 5.550 509 HA CYS 71 HA CYS 71 3.396 -3.463 5.384 510 HB2 CYS 71 2HB CYS 71 5.063 -3.862 3.749 511 HB3 CYS 71 3HB CYS 71 6.369 -3.577 4.896 512 HA PRO 72 HA PRO 72 4.092 -3.746 9.849 513 HB2 PRO 72 2HB PRO 72 1.764 -5.055 10.338 514 HB3 PRO 72 3HB PRO 72 1.855 -3.302 10.133 515 HG2 PRO 72 2HG PRO 72 1.053 -5.400 8.156 516 HG3 PRO 72 3HG PRO 72 0.309 -3.823 8.477 517 HD2 PRO 72 2HD PRO 72 1.968 -4.251 6.380 518 HD3 PRO 72 3HD PRO 72 1.872 -2.689 7.218 519 H SER 73 HN SER 73 4.176 -5.971 7.383 520 HA SER 73 HA SER 73 4.150 -8.378 8.966 521 HB2 SER 73 2HB SER 73 4.055 -7.731 6.190 522 HB3 SER 73 3HB SER 73 5.424 -8.812 6.450 523 HG SER 73 HG SER 73 3.781 -10.190 6.237 524 H CYS 74 HN CYS 74 6.653 -6.605 7.148 525 HA CYS 74 HA CYS 74 8.644 -7.668 9.034 526 HB2 CYS 74 2HB CYS 74 10.202 -8.100 7.297 527 HB3 CYS 74 3HB CYS 74 8.681 -8.808 6.763 528 H LYS 75 HN LYS 75 7.113 -5.009 8.125 529 HA LYS 75 HA LYS 75 7.526 -2.770 8.165 530 HB2 LYS 75 2HB LYS 75 10.004 -3.395 9.754 531 HB3 LYS 75 3HB LYS 75 8.956 -1.988 9.872 532 HG2 LYS 75 2HG LYS 75 8.251 -3.100 11.712 533 HG3 LYS 75 3HG LYS 75 7.176 -3.845 10.526 534 HD2 LYS 75 2HD LYS 75 8.192 -5.851 10.682 535 HD3 LYS 75 3HD LYS 75 9.801 -5.139 10.814 536 HE2 LYS 75 2HE LYS 75 9.341 -4.572 13.158 537 HE3 LYS 75 3HE LYS 75 7.747 -5.311 13.018 538 HZ1 LYS 75 1HZ LYS 75 8.596 -7.342 13.259 539 HZ2 LYS 75 2HZ LYS 75 9.997 -6.580 13.822 540 HZ3 LYS 75 3HZ LYS 75 9.884 -7.048 12.201 541 H THR 76 HN THR 76 8.319 -3.804 5.827 542 HA THR 76 HA THR 76 11.059 -2.975 5.286 543 HB THR 76 HB THR 76 9.091 -4.687 3.945 544 HG1 THR 76 1HG THR 76 11.895 -4.589 3.540 545 HG21 THR 76 1HG2 THR 76 9.096 -2.915 2.293 546 HG22 THR 76 2HG2 THR 76 10.021 -4.286 1.683 547 HG23 THR 76 3HG2 THR 76 10.858 -2.865 2.307 Start of MODEL 7 1 H1 ASN 1 HN ASN 1 1.371 4.256 -4.718 2 HA ASN 1 HA ASN 1 3.386 4.607 -5.898 3 HB2 ASN 1 2HB ASN 1 3.258 5.405 -3.309 4 HB3 ASN 1 3HB ASN 1 4.716 4.418 -3.265 5 HD21 ASN 1 1HD2 ASN 1 3.776 7.452 -3.475 6 HD22 ASN 1 2HD2 ASN 1 5.003 8.116 -4.494 7 H TYR 2 HN TYR 2 4.143 2.317 -3.267 8 HA TYR 2 HA TYR 2 6.085 1.015 -5.030 9 HB2 TYR 2 2HB TYR 2 5.924 -0.053 -2.331 10 HB3 TYR 2 3HB TYR 2 7.304 0.624 -3.187 11 HD1 TYR 2 1HD TYR 2 7.123 3.303 -3.470 12 HD2 TYR 2 2HD TYR 2 5.296 1.009 -0.389 13 HE1 TYR 2 1HE TYR 2 7.034 5.304 -2.042 14 HE2 TYR 2 2HE TYR 2 5.199 3.003 1.047 15 HH TYR 2 HH TYR 2 5.691 6.125 -0.106 16 H THR 3 HN THR 3 2.934 0.629 -3.846 17 HA THR 3 HA THR 3 2.974 -2.273 -4.309 18 HB THR 3 HB THR 3 1.298 -2.521 -2.814 19 HG1 THR 3 1HG THR 3 -0.072 -0.232 -2.756 20 HG21 THR 3 1HG2 THR 3 1.283 -0.775 -1.045 21 HG22 THR 3 2HG2 THR 3 2.229 0.264 -2.111 22 HG23 THR 3 3HG2 THR 3 2.907 -1.257 -1.533 23 H GLU 4 HN GLU 4 1.597 -3.244 -5.781 24 HA GLU 4 HA GLU 4 0.331 -1.408 -7.707 25 HB2 GLU 4 2HB GLU 4 2.118 -2.586 -8.772 26 HB3 GLU 4 3HB GLU 4 1.588 -4.122 -8.100 27 HG2 GLU 4 2HG GLU 4 -0.068 -4.385 -9.633 28 HG3 GLU 4 3HG GLU 4 -0.313 -2.652 -9.833 29 H GLU 5 HN GLU 5 -1.809 -1.421 -7.723 30 HA GLU 5 HA GLU 5 -3.482 -2.903 -6.168 31 HB2 GLU 5 2HB GLU 5 -3.996 -0.899 -7.715 32 HB3 GLU 5 3HB GLU 5 -4.317 -2.112 -8.947 33 HG2 GLU 5 2HG GLU 5 -5.800 -3.062 -6.891 34 HG3 GLU 5 3HG GLU 5 -5.900 -1.326 -6.609 35 H LEU 6 HN LEU 6 -4.567 -4.825 -6.282 36 HA LEU 6 HA LEU 6 -3.560 -6.736 -8.256 37 HB2 LEU 6 2HB LEU 6 -5.153 -7.248 -5.750 38 HB3 LEU 6 3HB LEU 6 -4.375 -8.459 -6.766 39 HG LEU 6 HG LEU 6 -3.155 -6.560 -4.805 40 HD11 LEU 6 1HD1 LEU 6 -3.518 -9.419 -5.112 41 HD12 LEU 6 2HD1 LEU 6 -3.102 -8.478 -3.680 42 HD13 LEU 6 3HD1 LEU 6 -1.838 -8.987 -4.798 43 HD21 LEU 6 1HD2 LEU 6 -1.655 -7.922 -7.040 44 HD22 LEU 6 2HD2 LEU 6 -0.956 -6.969 -5.730 45 HD23 LEU 6 3HD2 LEU 6 -1.979 -6.191 -6.938 46 H LYS 7 HN LYS 7 -4.753 -7.014 -10.014 47 HA LYS 7 HA LYS 7 -7.350 -6.132 -10.418 48 HB2 LYS 7 2HB LYS 7 -5.495 -7.959 -11.811 49 HB3 LYS 7 3HB LYS 7 -7.198 -8.191 -12.185 50 HG2 LYS 7 2HG LYS 7 -6.962 -5.486 -12.371 51 HG3 LYS 7 3HG LYS 7 -5.380 -6.027 -12.936 52 HD2 LYS 7 2HD LYS 7 -8.034 -7.006 -13.987 53 HD3 LYS 7 3HD LYS 7 -7.009 -5.802 -14.772 54 HE2 LYS 7 2HE LYS 7 -5.181 -7.616 -14.667 55 HE3 LYS 7 3HE LYS 7 -6.512 -8.733 -14.369 56 HZ1 LYS 7 1HZ LYS 7 -7.261 -7.171 -16.528 57 HZ2 LYS 7 2HZ LYS 7 -6.825 -8.804 -16.546 58 HZ3 LYS 7 3HZ LYS 7 -5.654 -7.614 -16.816 59 H VAL 8 HN VAL 8 -6.254 -8.865 -8.691 60 HA VAL 8 HA VAL 8 -9.025 -9.725 -8.297 61 HB VAL 8 HB VAL 8 -6.753 -11.608 -8.945 62 HG11 VAL 8 1HG1 VAL 8 -8.146 -13.416 -8.464 63 HG12 VAL 8 2HG1 VAL 8 -8.440 -12.297 -7.130 64 HG13 VAL 8 3HG1 VAL 8 -9.599 -12.417 -8.455 65 HG21 VAL 8 1HG2 VAL 8 -7.888 -10.379 -10.844 66 HG22 VAL 8 2HG2 VAL 8 -7.917 -12.140 -10.935 67 HG23 VAL 8 3HG2 VAL 8 -9.355 -11.259 -10.417 68 HA PRO 9 HA PRO 9 -7.776 -9.665 -4.066 69 HB2 PRO 9 2HB PRO 9 -9.837 -11.096 -3.031 70 HB3 PRO 9 3HB PRO 9 -10.007 -9.423 -3.577 71 HG2 PRO 9 2HG PRO 9 -10.728 -11.960 -4.993 72 HG3 PRO 9 3HG PRO 9 -11.640 -10.443 -4.881 73 HD2 PRO 9 2HD PRO 9 -10.175 -11.106 -7.060 74 HD3 PRO 9 3HD PRO 9 -10.392 -9.426 -6.531 75 HA PRO 10 HA PRO 10 -5.628 -13.646 -4.109 76 HB2 PRO 10 2HB PRO 10 -3.737 -12.892 -2.313 77 HB3 PRO 10 3HB PRO 10 -3.660 -12.464 -4.026 78 HG2 PRO 10 2HG PRO 10 -4.591 -10.821 -1.704 79 HG3 PRO 10 3HG PRO 10 -3.572 -10.344 -3.075 80 HD2 PRO 10 2HD PRO 10 -6.213 -9.758 -2.950 81 HD3 PRO 10 3HD PRO 10 -5.376 -10.073 -4.483 82 H ASP 11 HN ASP 11 -4.443 -14.594 -1.848 83 HA ASP 11 HA ASP 11 -6.660 -14.759 0.089 84 HB2 ASP 11 2HB ASP 11 -4.779 -16.956 -0.801 85 HB3 ASP 11 3HB ASP 11 -5.961 -17.108 0.496 86 H GLU 12 HN GLU 12 -4.104 -13.129 -0.052 87 HA GLU 12 HA GLU 12 -2.335 -14.102 1.934 88 HB2 GLU 12 2HB GLU 12 -2.774 -11.470 0.591 89 HB3 GLU 12 3HB GLU 12 -1.772 -11.525 2.034 90 HG2 GLU 12 2HG GLU 12 -1.327 -12.964 -0.566 91 HG3 GLU 12 3HG GLU 12 -0.343 -11.685 0.144 92 H ASP 13 HN ASP 13 -5.175 -12.028 2.026 93 HA ASP 13 HA ASP 13 -6.498 -11.331 3.742 94 HB2 ASP 13 2HB ASP 13 -5.279 -13.790 4.707 95 HB3 ASP 13 3HB ASP 13 -5.635 -12.675 6.024 96 H CYS 14 HN CYS 14 -6.390 -9.489 4.856 97 HA CYS 14 HA CYS 14 -4.178 -7.959 5.189 98 HB2 CYS 14 2HB CYS 14 -6.541 -7.228 5.564 99 HB3 CYS 14 3HB CYS 14 -6.483 -7.999 7.147 100 H ILE 15 HN ILE 15 -2.965 -7.299 7.111 101 HA ILE 15 HA ILE 15 -2.519 -9.549 8.964 102 HB ILE 15 HB ILE 15 -0.219 -7.799 8.659 103 HG12 ILE 15 2HG1 ILE 15 -1.165 -9.341 6.233 104 HG13 ILE 15 3HG1 ILE 15 -1.036 -7.590 6.360 105 HG21 ILE 15 1HG2 ILE 15 -0.792 -10.735 8.590 106 HG22 ILE 15 2HG2 ILE 15 0.798 -10.118 8.146 107 HG23 ILE 15 3HG2 ILE 15 0.151 -9.809 9.756 108 HD11 ILE 15 1HD1 ILE 15 1.142 -9.628 6.187 109 HD12 ILE 15 2HD1 ILE 15 0.862 -8.205 5.185 110 HD13 ILE 15 3HD1 ILE 15 1.448 -8.019 6.838 111 H ILE 16 HN ILE 16 -3.233 -6.246 8.597 112 HA ILE 16 HA ILE 16 -2.270 -5.418 11.191 113 HB ILE 16 HB ILE 16 -4.035 -4.015 9.183 114 HG12 ILE 16 2HG1 ILE 16 -1.135 -3.618 9.950 115 HG13 ILE 16 3HG1 ILE 16 -1.715 -4.341 8.454 116 HG21 ILE 16 1HG2 ILE 16 -4.494 -2.442 10.682 117 HG22 ILE 16 2HG2 ILE 16 -3.785 -3.481 11.917 118 HG23 ILE 16 3HG2 ILE 16 -2.790 -2.277 11.101 119 HD11 ILE 16 1HD1 ILE 16 -2.578 -2.284 7.689 120 HD12 ILE 16 2HD1 ILE 16 -2.379 -1.532 9.271 121 HD13 ILE 16 3HD1 ILE 16 -0.962 -1.952 8.309 122 H CYS 17 HN CYS 17 -5.547 -5.215 9.802 123 HA CYS 17 HA CYS 17 -6.738 -5.351 12.413 124 HB2 CYS 17 2HB CYS 17 -8.829 -5.029 11.300 125 HB3 CYS 17 3HB CYS 17 -7.650 -4.006 10.486 126 H MET 18 HN MET 18 -5.437 -7.666 10.496 127 HA MET 18 HA MET 18 -5.610 -9.929 10.344 128 HB2 MET 18 2HB MET 18 -6.630 -9.275 13.056 129 HB3 MET 18 3HB MET 18 -6.917 -10.906 12.467 130 HG2 MET 18 2HG MET 18 -4.210 -10.217 11.937 131 HG3 MET 18 3HG MET 18 -4.574 -9.835 13.619 132 HE1 MET 18 1HE MET 18 -2.692 -13.260 12.601 133 HE2 MET 18 2HE MET 18 -3.862 -13.301 11.281 134 HE3 MET 18 3HE MET 18 -2.969 -11.818 11.623 135 H GLU 19 HN GLU 19 -7.347 -8.849 8.684 136 HA GLU 19 HA GLU 19 -9.771 -10.484 9.014 137 HB2 GLU 19 2HB GLU 19 -9.643 -7.716 7.805 138 HB3 GLU 19 3HB GLU 19 -11.076 -8.731 7.896 139 HG2 GLU 19 2HG GLU 19 -9.612 -8.000 10.391 140 HG3 GLU 19 3HG GLU 19 -10.706 -6.843 9.635 141 H LYS 20 HN LYS 20 -10.965 -10.288 6.662 142 HA LYS 20 HA LYS 20 -9.182 -11.706 4.902 143 HB2 LYS 20 2HB LYS 20 -12.088 -11.181 5.058 144 HB3 LYS 20 3HB LYS 20 -11.441 -11.410 3.440 145 HG2 LYS 20 2HG LYS 20 -10.595 -13.578 4.022 146 HG3 LYS 20 3HG LYS 20 -11.041 -13.343 5.713 147 HD2 LYS 20 2HD LYS 20 -13.174 -13.085 3.658 148 HD3 LYS 20 3HD LYS 20 -12.576 -14.703 4.032 149 HE2 LYS 20 2HE LYS 20 -13.305 -14.604 6.228 150 HE3 LYS 20 3HE LYS 20 -13.336 -12.841 6.244 151 HZ1 LYS 20 1HZ LYS 20 -15.141 -14.042 4.342 152 HZ2 LYS 20 2HZ LYS 20 -15.412 -12.797 5.453 153 HZ3 LYS 20 3HZ LYS 20 -15.499 -14.411 5.954 154 H LEU 21 HN LEU 21 -8.355 -11.046 2.968 155 HA LEU 21 HA LEU 21 -7.923 -8.291 2.559 156 HB2 LEU 21 2HB LEU 21 -7.270 -10.799 1.152 157 HB3 LEU 21 3HB LEU 21 -7.298 -9.345 0.156 158 HG LEU 21 HG LEU 21 -5.504 -9.973 2.488 159 HD11 LEU 21 1HD1 LEU 21 -3.779 -9.339 0.762 160 HD12 LEU 21 2HD1 LEU 21 -5.080 -9.361 -0.426 161 HD13 LEU 21 3HD1 LEU 21 -4.665 -10.833 0.451 162 HD21 LEU 21 1HD2 LEU 21 -5.714 -7.802 3.037 163 HD22 LEU 21 2HD2 LEU 21 -6.417 -7.366 1.479 164 HD23 LEU 21 3HD2 LEU 21 -4.669 -7.542 1.639 165 H SER 22 HN SER 22 -10.624 -10.137 1.936 166 HA SER 22 HA SER 22 -11.477 -8.452 -0.315 167 HB2 SER 22 2HB SER 22 -12.305 -10.360 -1.145 168 HB3 SER 22 3HB SER 22 -11.858 -11.227 0.323 169 HG SER 22 HG SER 22 -14.271 -10.702 -0.500 170 H THR 23 HN THR 23 -11.969 -9.045 3.025 171 HA THR 23 HA THR 23 -14.598 -7.849 3.137 172 HB THR 23 HB THR 23 -14.172 -7.952 5.657 173 HG1 THR 23 1HG THR 23 -12.125 -8.314 6.090 174 HG21 THR 23 1HG2 THR 23 -15.488 -9.718 5.230 175 HG22 THR 23 2HG2 THR 23 -14.010 -10.677 5.294 176 HG23 THR 23 3HG2 THR 23 -14.627 -10.108 3.743 177 H ALA 24 HN ALA 24 -12.564 -6.205 1.966 178 HA ALA 24 HA ALA 24 -11.691 -4.099 2.048 179 HB1 ALA 24 1HB ALA 24 -14.303 -4.004 3.364 180 HB2 ALA 24 2HB ALA 24 -13.239 -2.656 3.765 181 HB3 ALA 24 3HB ALA 24 -13.638 -2.992 2.081 182 H SER 25 HN SER 25 -11.101 -2.229 3.720 183 HA SER 25 HA SER 25 -9.359 -3.508 5.655 184 HB2 SER 25 2HB SER 25 -8.030 -1.699 5.403 185 HB3 SER 25 3HB SER 25 -9.057 -1.319 4.022 186 HG SER 25 HG SER 25 -8.777 0.006 6.355 187 H GLY 26 HN GLY 26 -9.640 -3.539 7.803 188 HA2 GLY 26 1HA GLY 26 -12.145 -2.686 8.901 189 HA3 GLY 26 2HA GLY 26 -10.820 -3.430 9.783 190 H TYR 27 HN TYR 27 -9.244 -1.071 8.354 191 HA TYR 27 HA TYR 27 -9.397 0.653 10.674 192 HB2 TYR 27 2HB TYR 27 -7.530 0.291 8.395 193 HB3 TYR 27 3HB TYR 27 -7.602 1.897 9.111 194 HD1 TYR 27 1HD TYR 27 -5.710 2.194 10.407 195 HD2 TYR 27 2HD TYR 27 -7.787 -1.512 10.628 196 HE1 TYR 27 1HE TYR 27 -4.201 1.462 12.207 197 HE2 TYR 27 2HE TYR 27 -6.285 -2.254 12.429 198 HH TYR 27 HH TYR 27 -4.611 -0.493 14.270 199 H SER 28 HN SER 28 -10.628 0.572 7.470 200 HA SER 28 HA SER 28 -10.886 3.235 6.795 201 HB2 SER 28 2HB SER 28 -11.523 1.492 5.243 202 HB3 SER 28 3HB SER 28 -12.818 0.956 6.313 203 HG SER 28 HG SER 28 -14.050 2.469 5.540 204 H ASP 29 HN ASP 29 -12.317 1.571 9.398 205 HA ASP 29 HA ASP 29 -14.724 2.932 9.754 206 HB2 ASP 29 2HB ASP 29 -13.317 1.010 11.148 207 HB3 ASP 29 3HB ASP 29 -13.302 2.383 12.253 208 H VAL 30 HN VAL 30 -11.506 3.698 11.074 209 HA VAL 30 HA VAL 30 -12.435 6.468 11.464 210 HB VAL 30 HB VAL 30 -11.972 5.065 13.580 211 HG11 VAL 30 1HG1 VAL 30 -9.847 4.113 12.721 212 HG12 VAL 30 2HG1 VAL 30 -9.127 5.720 12.830 213 HG13 VAL 30 3HG1 VAL 30 -9.683 4.900 14.290 214 HG21 VAL 30 1HG2 VAL 30 -11.216 6.992 14.762 215 HG22 VAL 30 2HG2 VAL 30 -10.472 7.665 13.311 216 HG23 VAL 30 3HG2 VAL 30 -12.228 7.556 13.431 217 H THR 31 HN THR 31 -10.704 4.740 9.453 218 HA THR 31 HA THR 31 -8.531 6.722 9.243 219 HB THR 31 HB THR 31 -8.300 3.993 8.022 220 HG1 THR 31 1HG THR 31 -8.518 4.474 10.656 221 HG21 THR 31 1HG2 THR 31 -5.957 5.187 9.252 222 HG22 THR 31 2HG2 THR 31 -6.695 6.257 8.060 223 HG23 THR 31 3HG2 THR 31 -6.199 4.630 7.597 224 H ASP 32 HN ASP 32 -9.344 8.131 7.778 225 HA ASP 32 HA ASP 32 -10.497 7.069 5.298 226 HB2 ASP 32 2HB ASP 32 -10.788 9.597 6.817 227 HB3 ASP 32 3HB ASP 32 -10.842 9.732 5.062 228 H SER 33 HN SER 33 -8.443 6.404 4.452 229 HA SER 33 HA SER 33 -6.168 7.900 4.136 230 HB2 SER 33 2HB SER 33 -5.598 5.990 3.114 231 HB3 SER 33 3HB SER 33 -7.294 5.546 2.923 232 HG SER 33 HG SER 33 -7.168 6.082 0.901 233 H LYS 34 HN LYS 34 -5.366 8.669 1.863 234 HA LYS 34 HA LYS 34 -7.433 10.311 0.575 235 HB2 LYS 34 2HB LYS 34 -5.897 12.227 0.519 236 HB3 LYS 34 3HB LYS 34 -6.278 11.751 2.169 237 HG2 LYS 34 2HG LYS 34 -4.157 11.146 2.631 238 HG3 LYS 34 3HG LYS 34 -3.861 10.534 1.002 239 HD2 LYS 34 2HD LYS 34 -3.629 12.810 0.171 240 HD3 LYS 34 3HD LYS 34 -3.986 13.449 1.776 241 HE2 LYS 34 2HE LYS 34 -1.967 11.950 2.493 242 HE3 LYS 34 3HE LYS 34 -1.541 12.047 0.785 243 HZ1 LYS 34 1HZ LYS 34 -0.451 13.786 2.027 244 HZ2 LYS 34 2HZ LYS 34 -1.930 14.349 2.621 245 HZ3 LYS 34 3HZ LYS 34 -1.582 14.471 0.971 246 H ALA 35 HN ALA 35 -5.227 7.971 0.186 247 HA ALA 35 HA ALA 35 -4.715 8.735 -2.611 248 HB1 ALA 35 1HB ALA 35 -2.610 7.151 -2.172 249 HB2 ALA 35 2HB ALA 35 -2.565 8.896 -1.912 250 HB3 ALA 35 3HB ALA 35 -2.810 7.807 -0.547 251 H LEU 36 HN LEU 36 -4.836 6.007 -0.328 252 HA LEU 36 HA LEU 36 -5.608 4.240 -2.537 253 HB2 LEU 36 2HB LEU 36 -5.385 2.640 -0.333 254 HB3 LEU 36 3HB LEU 36 -4.122 2.923 -1.529 255 HG LEU 36 HG LEU 36 -3.269 3.103 0.753 256 HD11 LEU 36 1HD1 LEU 36 -2.943 4.960 -1.325 257 HD12 LEU 36 2HD1 LEU 36 -1.825 4.602 -0.009 258 HD13 LEU 36 3HD1 LEU 36 -3.011 5.896 0.168 259 HD21 LEU 36 1HD2 LEU 36 -4.415 5.625 1.480 260 HD22 LEU 36 2HD2 LEU 36 -4.402 4.105 2.377 261 HD23 LEU 36 3HD2 LEU 36 -5.697 4.439 1.226 262 H GLY 37 HN GLY 37 -7.024 2.301 -1.316 263 HA2 GLY 37 1HA GLY 37 -9.247 3.606 0.088 264 HA3 GLY 37 2HA GLY 37 -9.586 2.768 -1.418 265 H SER 38 HN SER 38 -10.807 2.084 0.993 266 HA SER 38 HA SER 38 -9.472 -0.122 2.228 267 HB2 SER 38 2HB SER 38 -12.347 -0.178 2.565 268 HB3 SER 38 3HB SER 38 -11.088 0.110 3.767 269 HG SER 38 HG SER 38 -12.647 1.875 3.323 270 H LEU 39 HN LEU 39 -10.814 0.198 -0.760 271 HA LEU 39 HA LEU 39 -11.573 -2.646 -0.885 272 HB2 LEU 39 2HB LEU 39 -12.914 -0.302 -1.793 273 HB3 LEU 39 3HB LEU 39 -12.465 -1.272 -3.194 274 HG LEU 39 HG LEU 39 -13.783 -2.706 -0.968 275 HD11 LEU 39 1HD1 LEU 39 -15.604 -1.450 -0.859 276 HD12 LEU 39 2HD1 LEU 39 -15.853 -1.674 -2.590 277 HD13 LEU 39 3HD1 LEU 39 -14.908 -0.304 -2.007 278 HD21 LEU 39 1HD2 LEU 39 -14.751 -3.957 -2.743 279 HD22 LEU 39 2HD2 LEU 39 -13.051 -3.714 -3.148 280 HD23 LEU 39 3HD2 LEU 39 -14.294 -2.741 -3.936 281 H ALA 40 HN ALA 40 -8.976 -0.953 -1.332 282 HA ALA 40 HA ALA 40 -8.301 -2.123 -3.951 283 HB1 ALA 40 1HB ALA 40 -6.340 -0.376 -3.699 284 HB2 ALA 40 2HB ALA 40 -7.923 0.101 -4.314 285 HB3 ALA 40 3HB ALA 40 -7.500 0.419 -2.632 286 H VAL 41 HN VAL 41 -6.984 -3.812 -3.898 287 HA VAL 41 HA VAL 41 -5.385 -4.299 -1.489 288 HB VAL 41 HB VAL 41 -5.569 -6.327 -3.659 289 HG11 VAL 41 1HG1 VAL 41 -6.096 -7.275 -1.017 290 HG12 VAL 41 2HG1 VAL 41 -4.714 -7.609 -2.062 291 HG13 VAL 41 3HG1 VAL 41 -4.689 -6.214 -0.982 292 HG21 VAL 41 1HG2 VAL 41 -7.725 -7.129 -2.853 293 HG22 VAL 41 2HG2 VAL 41 -7.832 -5.763 -1.743 294 HG23 VAL 41 3HG2 VAL 41 -7.865 -5.489 -3.485 295 H GLY 42 HN GLY 42 -3.353 -3.605 -1.559 296 HA2 GLY 42 1HA GLY 42 -1.878 -3.898 -4.103 297 HA3 GLY 42 2HA GLY 42 -1.688 -2.490 -3.068 298 H HIS 43 HN HIS 43 0.249 -4.554 -4.012 299 HA HIS 43 HA HIS 43 1.210 -5.417 -1.364 300 HB2 HIS 43 2HB HIS 43 2.117 -7.399 -2.309 301 HB3 HIS 43 3HB HIS 43 0.477 -7.270 -2.940 302 HD1 HIS 43 1HD HIS 43 0.583 -5.762 -5.394 303 HD2 HIS 43 2HD HIS 43 3.784 -8.163 -4.276 304 HE1 HIS 43 1HE HIS 43 1.850 -6.225 -7.517 305 H LEU 44 HN LEU 44 3.052 -4.511 -0.747 306 HA LEU 44 HA LEU 44 4.465 -2.651 -2.272 307 HB2 LEU 44 2HB LEU 44 4.611 -3.771 0.348 308 HB3 LEU 44 3HB LEU 44 6.231 -3.740 -0.348 309 HG LEU 44 HG LEU 44 4.733 -1.234 -0.648 310 HD11 LEU 44 1HD1 LEU 44 3.890 -1.831 1.528 311 HD12 LEU 44 2HD1 LEU 44 5.105 -0.566 1.701 312 HD13 LEU 44 3HD1 LEU 44 5.513 -2.238 2.085 313 HD21 LEU 44 1HD2 LEU 44 7.181 -1.722 -1.153 314 HD22 LEU 44 2HD2 LEU 44 7.427 -1.709 0.594 315 HD23 LEU 44 3HD2 LEU 44 6.829 -0.265 -0.225 316 H THR 45 HN THR 45 5.907 -2.854 -3.846 317 HA THR 45 HA THR 45 6.819 -5.458 -4.661 318 HB THR 45 HB THR 45 7.704 -4.423 -6.594 319 HG1 THR 45 1HG THR 45 7.816 -2.028 -6.626 320 HG21 THR 45 1HG2 THR 45 5.530 -4.240 -7.150 321 HG22 THR 45 2HG2 THR 45 5.786 -2.511 -6.914 322 HG23 THR 45 3HG2 THR 45 5.101 -3.487 -5.616 323 H LYS 46 HN LYS 46 7.796 -3.766 -2.172 324 HA LYS 46 HA LYS 46 10.659 -3.762 -2.654 325 HB2 LYS 46 2HB LYS 46 8.842 -2.738 -0.548 326 HB3 LYS 46 3HB LYS 46 10.453 -3.209 -0.023 327 HG2 LYS 46 2HG LYS 46 10.376 -1.538 -2.435 328 HG3 LYS 46 3HG LYS 46 9.798 -0.760 -0.960 329 HD2 LYS 46 2HD LYS 46 12.206 -2.255 -0.445 330 HD3 LYS 46 3HD LYS 46 12.453 -1.114 -1.768 331 HE2 LYS 46 2HE LYS 46 11.694 0.714 -0.394 332 HE3 LYS 46 3HE LYS 46 11.262 -0.395 0.907 333 HZ1 LYS 46 1HZ LYS 46 13.569 -0.946 1.201 334 HZ2 LYS 46 2HZ LYS 46 13.391 0.733 1.285 335 HZ3 LYS 46 3HZ LYS 46 14.020 0.020 -0.114 336 H CYS 47 HN CYS 47 8.289 -5.538 -0.725 337 HA CYS 47 HA CYS 47 10.351 -7.582 -0.224 338 HB2 CYS 47 2HB CYS 47 9.061 -8.100 1.892 339 HB3 CYS 47 3HB CYS 47 9.930 -6.568 1.889 340 H SER 48 HN SER 48 7.279 -6.829 -1.467 341 HA SER 48 HA SER 48 5.912 -8.142 -2.777 342 HB2 SER 48 2HB SER 48 8.061 -9.710 -2.784 343 HB3 SER 48 3HB SER 48 7.043 -10.703 -1.742 344 HG SER 48 HG SER 48 6.773 -10.089 -4.440 345 H HIS 49 HN HIS 49 5.309 -7.210 -0.191 346 HA HIS 49 HA HIS 49 3.670 -9.391 0.916 347 HB2 HIS 49 2HB HIS 49 4.557 -6.822 2.246 348 HB3 HIS 49 3HB HIS 49 3.615 -8.103 3.003 349 HD2 HIS 49 2HD HIS 49 6.757 -9.041 0.886 350 HE1 HIS 49 1HE HIS 49 7.628 -9.722 4.981 351 HE2 HIS 49 2HE HIS 49 8.466 -9.924 2.614 352 H ALA 50 HN ALA 50 1.504 -9.223 0.938 353 HA ALA 50 HA ALA 50 0.336 -6.760 -0.167 354 HB1 ALA 50 1HB ALA 50 -0.873 -8.061 -1.494 355 HB2 ALA 50 2HB ALA 50 -0.023 -9.466 -0.849 356 HB3 ALA 50 3HB ALA 50 -1.528 -8.928 -0.105 357 H PHE 51 HN PHE 51 -1.881 -6.229 0.620 358 HA PHE 51 HA PHE 51 -3.073 -7.161 2.911 359 HB2 PHE 51 2HB PHE 51 -2.131 -5.033 4.338 360 HB3 PHE 51 3HB PHE 51 -1.549 -6.685 4.508 361 HD1 PHE 51 1HD PHE 51 0.665 -6.204 5.182 362 HD2 PHE 51 2HD PHE 51 -0.899 -4.509 1.604 363 HE1 PHE 51 1HE PHE 51 2.926 -5.474 4.543 364 HE2 PHE 51 2HE PHE 51 1.359 -3.777 0.959 365 HZ PHE 51 HZ PHE 51 3.276 -4.259 2.429 366 H HIS 52 HN HIS 52 -4.025 -4.981 4.202 367 HA HIS 52 HA HIS 52 -5.665 -3.765 2.168 368 HB2 HIS 52 2HB HIS 52 -5.633 -3.639 5.176 369 HB3 HIS 52 3HB HIS 52 -6.687 -2.601 4.220 370 HD2 HIS 52 2HD HIS 52 -7.512 -5.071 2.057 371 HE1 HIS 52 1HE HIS 52 -9.182 -6.776 5.565 372 HE2 HIS 52 2HE HIS 52 -9.083 -6.869 3.049 373 H LEU 53 HN LEU 53 -4.851 -2.126 1.031 374 HA LEU 53 HA LEU 53 -2.721 -0.524 1.534 375 HB2 LEU 53 2HB LEU 53 -5.283 0.020 0.085 376 HB3 LEU 53 3HB LEU 53 -4.038 1.262 0.204 377 HG LEU 53 HG LEU 53 -3.545 -1.467 -0.974 378 HD11 LEU 53 1HD1 LEU 53 -4.323 -0.827 -2.971 379 HD12 LEU 53 2HD1 LEU 53 -3.704 0.814 -2.796 380 HD13 LEU 53 3HD1 LEU 53 -5.244 0.369 -2.061 381 HD21 LEU 53 1HD2 LEU 53 -1.905 0.825 -0.344 382 HD22 LEU 53 2HD2 LEU 53 -1.846 0.448 -2.066 383 HD23 LEU 53 3HD2 LEU 53 -1.430 -0.788 -0.878 384 H LEU 54 HN LEU 54 -6.067 0.137 2.529 385 HA LEU 54 HA LEU 54 -5.598 2.608 3.758 386 HB2 LEU 54 2HB LEU 54 -7.801 1.265 3.220 387 HB3 LEU 54 3HB LEU 54 -7.618 0.734 4.890 388 HG LEU 54 HG LEU 54 -8.801 2.538 5.440 389 HD11 LEU 54 1HD1 LEU 54 -6.401 3.229 5.900 390 HD12 LEU 54 2HD1 LEU 54 -7.602 4.518 5.832 391 HD13 LEU 54 3HD1 LEU 54 -6.529 4.240 4.460 392 HD21 LEU 54 1HD2 LEU 54 -8.255 3.417 2.626 393 HD22 LEU 54 2HD2 LEU 54 -9.072 4.475 3.776 394 HD23 LEU 54 3HD2 LEU 54 -9.779 2.913 3.356 395 H CYS 55 HN CYS 55 -6.229 -0.444 5.493 396 HA CYS 55 HA CYS 55 -5.553 0.183 8.005 397 HB2 CYS 55 2HB CYS 55 -4.790 -2.311 6.483 398 HB3 CYS 55 3HB CYS 55 -4.577 -2.150 8.223 399 H LEU 56 HN LEU 56 -3.174 -0.678 5.506 400 HA LEU 56 HA LEU 56 -0.900 -0.327 7.144 401 HB2 LEU 56 2HB LEU 56 -0.977 0.036 4.162 402 HB3 LEU 56 3HB LEU 56 0.384 -0.478 5.157 403 HG LEU 56 HG LEU 56 -2.041 -2.200 5.105 404 HD11 LEU 56 1HD1 LEU 56 -1.619 -3.152 3.041 405 HD12 LEU 56 2HD1 LEU 56 0.009 -2.480 2.947 406 HD13 LEU 56 3HD1 LEU 56 -1.392 -1.433 2.719 407 HD21 LEU 56 1HD2 LEU 56 -0.069 -2.667 6.537 408 HD22 LEU 56 2HD2 LEU 56 0.908 -2.830 5.078 409 HD23 LEU 56 3HD2 LEU 56 -0.420 -3.952 5.381 410 H LEU 57 HN LEU 57 -2.201 1.779 4.572 411 HA LEU 57 HA LEU 57 -0.553 3.926 4.766 412 HB2 LEU 57 2HB LEU 57 -2.421 3.741 3.187 413 HB3 LEU 57 3HB LEU 57 -3.555 4.043 4.502 414 HG LEU 57 HG LEU 57 -2.913 5.959 2.862 415 HD11 LEU 57 1HD1 LEU 57 -2.645 7.150 5.458 416 HD12 LEU 57 2HD1 LEU 57 -3.831 5.846 5.505 417 HD13 LEU 57 3HD1 LEU 57 -4.021 7.167 4.354 418 HD21 LEU 57 1HD2 LEU 57 -0.956 7.112 3.215 419 HD22 LEU 57 2HD2 LEU 57 -0.413 5.449 3.444 420 HD23 LEU 57 3HD2 LEU 57 -0.743 6.472 4.844 421 H ALA 58 HN ALA 58 -3.010 2.963 7.053 422 HA ALA 58 HA ALA 58 -3.126 5.370 8.536 423 HB1 ALA 58 1HB ALA 58 -3.690 2.558 9.469 424 HB2 ALA 58 2HB ALA 58 -4.209 4.046 10.261 425 HB3 ALA 58 3HB ALA 58 -4.847 3.625 8.672 426 H MET 59 HN MET 59 -1.640 2.277 9.526 427 HA MET 59 HA MET 59 -0.050 3.532 11.533 428 HB2 MET 59 2HB MET 59 1.115 1.196 11.455 429 HB3 MET 59 3HB MET 59 -0.529 1.333 12.064 430 HG2 MET 59 2HG MET 59 -1.364 0.071 10.430 431 HG3 MET 59 3HG MET 59 -0.402 0.876 9.193 432 HE1 MET 59 1HE MET 59 1.911 0.666 8.918 433 HE2 MET 59 2HE MET 59 2.965 -0.273 9.973 434 HE3 MET 59 3HE MET 59 2.434 -0.947 8.431 435 H TYR 60 HN TYR 60 0.259 3.381 8.215 436 HA TYR 60 HA TYR 60 2.986 2.946 7.802 437 HB2 TYR 60 2HB TYR 60 2.389 3.290 5.676 438 HB3 TYR 60 3HB TYR 60 0.780 3.723 6.243 439 HD1 TYR 60 1HD TYR 60 0.895 6.285 7.355 440 HD2 TYR 60 2HD TYR 60 3.204 4.771 4.118 441 HE1 TYR 60 1HE TYR 60 1.211 8.575 6.517 442 HE2 TYR 60 2HE TYR 60 3.528 7.057 3.272 443 HH TYR 60 HH TYR 60 2.724 9.207 3.425 444 H CYS 61 HN CYS 61 1.367 5.556 9.300 445 HA CYS 61 HA CYS 61 3.108 7.683 8.773 446 HB2 CYS 61 2HB CYS 61 0.808 7.389 10.207 447 HB3 CYS 61 3HB CYS 61 1.988 7.582 11.498 448 HG CYS 61 HG CYS 61 0.502 9.914 9.941 449 H ASN 62 HN ASN 62 3.650 4.819 10.478 450 HA ASN 62 HA ASN 62 5.789 5.971 12.110 451 HB2 ASN 62 2HB ASN 62 4.005 3.753 12.418 452 HB3 ASN 62 3HB ASN 62 5.660 3.151 12.434 453 HD21 ASN 62 1HD2 ASN 62 4.434 6.263 13.549 454 HD22 ASN 62 2HD2 ASN 62 4.885 6.050 15.203 455 H GLY 63 HN GLY 63 5.428 3.060 10.067 456 HA2 GLY 63 1HA GLY 63 8.283 3.055 9.544 457 HA3 GLY 63 2HA GLY 63 7.121 1.852 9.008 458 H ASN 64 HN ASN 64 9.010 2.624 7.253 459 HA ASN 64 HA ASN 64 9.445 3.693 5.265 460 HB2 ASN 64 2HB ASN 64 6.771 2.451 5.172 461 HB3 ASN 64 3HB ASN 64 7.090 3.622 3.896 462 HD21 ASN 64 1HD2 ASN 64 6.666 1.052 3.221 463 HD22 ASN 64 2HD2 ASN 64 8.135 0.313 2.691 464 H LYS 65 HN LYS 65 6.113 4.715 5.103 465 HA LYS 65 HA LYS 65 5.116 6.761 5.069 466 HB2 LYS 65 2HB LYS 65 7.188 6.999 7.087 467 HB3 LYS 65 3HB LYS 65 6.901 8.534 6.280 468 HG2 LYS 65 2HG LYS 65 4.361 7.555 6.791 469 HG3 LYS 65 3HG LYS 65 5.290 7.139 8.234 470 HD2 LYS 65 2HD LYS 65 5.338 9.890 7.016 471 HD3 LYS 65 3HD LYS 65 4.147 9.409 8.227 472 HE2 LYS 65 2HE LYS 65 5.620 9.900 9.813 473 HE3 LYS 65 3HE LYS 65 6.652 8.603 9.214 474 HZ1 LYS 65 1HZ LYS 65 7.802 10.746 9.318 475 HZ2 LYS 65 2HZ LYS 65 6.693 11.402 8.221 476 HZ3 LYS 65 3HZ LYS 65 7.725 10.153 7.734 477 H ASP 66 HN ASP 66 6.928 5.910 2.966 478 HA ASP 66 HA ASP 66 8.360 8.255 2.091 479 HB2 ASP 66 2HB ASP 66 8.135 5.459 1.269 480 HB3 ASP 66 3HB ASP 66 8.190 6.572 -0.095 481 H GLY 67 HN GLY 67 5.187 6.977 1.748 482 HA2 GLY 67 1HA GLY 67 3.644 8.852 0.971 483 HA3 GLY 67 2HA GLY 67 4.640 8.837 -0.476 484 H SER 68 HN SER 68 3.152 6.285 1.520 485 HA SER 68 HA SER 68 1.230 5.561 -0.428 486 HB2 SER 68 2HB SER 68 3.593 4.761 -1.325 487 HB3 SER 68 3HB SER 68 3.310 3.427 -0.208 488 HG SER 68 HG SER 68 2.390 2.780 -2.076 489 H LEU 69 HN LEU 69 3.309 3.585 1.684 490 HA LEU 69 HA LEU 69 1.560 3.477 3.867 491 HB2 LEU 69 2HB LEU 69 0.729 1.144 3.574 492 HB3 LEU 69 3HB LEU 69 0.006 2.329 2.490 493 HG LEU 69 HG LEU 69 0.610 0.025 1.544 494 HD11 LEU 69 1HD1 LEU 69 0.374 2.497 0.413 495 HD12 LEU 69 2HD1 LEU 69 0.512 0.980 -0.475 496 HD13 LEU 69 3HD1 LEU 69 1.945 1.966 -0.187 497 HD21 LEU 69 1HD2 LEU 69 3.355 1.276 1.541 498 HD22 LEU 69 2HD2 LEU 69 2.896 -0.256 0.796 499 HD23 LEU 69 3HD2 LEU 69 2.855 -0.081 2.551 500 H GLN 70 HN GLN 70 1.988 1.124 5.024 501 HA GLN 70 HA GLN 70 4.868 0.585 4.797 502 HB2 GLN 70 2HB GLN 70 4.435 2.143 6.684 503 HB3 GLN 70 3HB GLN 70 3.374 0.937 7.402 504 HG2 GLN 70 2HG GLN 70 5.575 -0.550 7.110 505 HG3 GLN 70 3HG GLN 70 6.320 1.039 7.270 506 HE21 GLN 70 1HE2 GLN 70 6.261 -1.333 9.055 507 HE22 GLN 70 2HE2 GLN 70 5.690 -0.740 10.574 508 H CYS 71 HN CYS 71 5.537 -1.494 5.464 509 HA CYS 71 HA CYS 71 3.392 -3.482 5.331 510 HB2 CYS 71 2HB CYS 71 5.063 -3.890 3.700 511 HB3 CYS 71 3HB CYS 71 6.364 -3.625 4.855 512 HA PRO 72 HA PRO 72 4.050 -3.783 9.793 513 HB2 PRO 72 2HB PRO 72 1.751 -5.151 10.253 514 HB3 PRO 72 3HB PRO 72 1.800 -3.395 10.050 515 HG2 PRO 72 2HG PRO 72 1.076 -5.512 8.062 516 HG3 PRO 72 3HG PRO 72 0.288 -3.955 8.375 517 HD2 PRO 72 2HD PRO 72 1.983 -4.339 6.298 518 HD3 PRO 72 3HD PRO 72 1.836 -2.780 7.136 519 H SER 73 HN SER 73 3.903 -6.116 7.323 520 HA SER 73 HA SER 73 4.004 -8.482 8.892 521 HB2 SER 73 2HB SER 73 3.653 -7.996 6.245 522 HB3 SER 73 3HB SER 73 5.338 -8.520 6.251 523 HG SER 73 HG SER 73 3.065 -9.975 6.611 524 H CYS 74 HN CYS 74 6.573 -6.852 7.023 525 HA CYS 74 HA CYS 74 8.511 -7.873 8.995 526 HB2 CYS 74 2HB CYS 74 10.112 -8.241 7.282 527 HB3 CYS 74 3HB CYS 74 8.608 -8.940 6.691 528 H LYS 75 HN LYS 75 6.999 -5.261 8.646 529 HA LYS 75 HA LYS 75 7.375 -3.010 8.754 530 HB2 LYS 75 2HB LYS 75 10.067 -3.472 9.932 531 HB3 LYS 75 3HB LYS 75 8.769 -2.418 10.476 532 HG2 LYS 75 2HG LYS 75 8.615 -5.409 10.686 533 HG3 LYS 75 3HG LYS 75 9.319 -4.395 11.949 534 HD2 LYS 75 2HD LYS 75 6.721 -3.433 11.056 535 HD3 LYS 75 3HD LYS 75 6.653 -5.077 11.696 536 HE2 LYS 75 2HE LYS 75 6.301 -3.235 13.377 537 HE3 LYS 75 3HE LYS 75 7.562 -4.400 13.776 538 HZ1 LYS 75 1HZ LYS 75 7.921 -1.782 13.902 539 HZ2 LYS 75 2HZ LYS 75 8.405 -2.038 12.302 540 HZ3 LYS 75 3HZ LYS 75 9.178 -2.863 13.560 541 H THR 76 HN THR 76 7.681 -3.293 6.309 542 HA THR 76 HA THR 76 10.390 -2.424 5.539 543 HB THR 76 HB THR 76 8.582 -4.349 4.356 544 HG1 THR 76 1HG THR 76 10.630 -4.658 3.100 545 HG21 THR 76 1HG2 THR 76 7.933 -2.459 2.923 546 HG22 THR 76 2HG2 THR 76 8.829 -3.682 2.022 547 HG23 THR 76 3HG2 THR 76 9.629 -2.191 2.520 Start of MODEL 8 1 H1 ASN 1 HN ASN 1 2.496 3.520 -5.806 2 HA ASN 1 HA ASN 1 5.162 4.187 -6.235 3 HB2 ASN 1 2HB ASN 1 3.499 3.685 -3.804 4 HB3 ASN 1 3HB ASN 1 5.243 3.833 -3.613 5 HD21 ASN 1 1HD2 ASN 1 6.254 5.792 -4.251 6 HD22 ASN 1 2HD2 ASN 1 5.359 7.269 -4.295 7 H TYR 2 HN TYR 2 4.673 1.867 -3.686 8 HA TYR 2 HA TYR 2 6.768 0.191 -4.871 9 HB2 TYR 2 2HB TYR 2 6.004 -0.506 -2.157 10 HB3 TYR 2 3HB TYR 2 7.583 -0.066 -2.797 11 HD1 TYR 2 1HD TYR 2 7.606 2.606 -3.486 12 HD2 TYR 2 2HD TYR 2 5.304 0.798 -0.399 13 HE1 TYR 2 1HE TYR 2 7.481 4.769 -2.322 14 HE2 TYR 2 2HE TYR 2 5.170 2.955 0.774 15 HH TYR 2 HH TYR 2 6.228 5.050 0.899 16 H THR 3 HN THR 3 3.429 0.246 -4.145 17 HA THR 3 HA THR 3 3.245 -2.662 -4.595 18 HB THR 3 HB THR 3 1.782 -2.844 -2.923 19 HG1 THR 3 1HG THR 3 0.458 -0.529 -3.936 20 HG21 THR 3 1HG2 THR 3 1.940 0.084 -2.305 21 HG22 THR 3 2HG2 THR 3 3.359 -0.945 -2.106 22 HG23 THR 3 3HG2 THR 3 1.887 -1.289 -1.200 23 H GLU 4 HN GLU 4 1.869 -3.431 -6.149 24 HA GLU 4 HA GLU 4 0.760 -1.413 -7.973 25 HB2 GLU 4 2HB GLU 4 2.399 -2.959 -8.949 26 HB3 GLU 4 3HB GLU 4 1.406 -4.326 -8.464 27 HG2 GLU 4 2HG GLU 4 -0.428 -3.175 -9.887 28 HG3 GLU 4 3HG GLU 4 0.928 -2.312 -10.612 29 H GLU 5 HN GLU 5 -1.257 -0.993 -7.213 30 HA GLU 5 HA GLU 5 -3.069 -2.438 -5.892 31 HB2 GLU 5 2HB GLU 5 -3.258 -0.109 -7.119 32 HB3 GLU 5 3HB GLU 5 -4.096 -1.060 -8.337 33 HG2 GLU 5 2HG GLU 5 -5.816 -1.643 -6.864 34 HG3 GLU 5 3HG GLU 5 -4.883 -1.161 -5.448 35 H LEU 6 HN LEU 6 -3.543 -4.527 -6.078 36 HA LEU 6 HA LEU 6 -3.431 -5.974 -8.515 37 HB2 LEU 6 2HB LEU 6 -5.052 -7.079 -6.318 38 HB3 LEU 6 3HB LEU 6 -3.754 -7.817 -7.252 39 HG LEU 6 HG LEU 6 -3.513 -6.026 -4.845 40 HD11 LEU 6 1HD1 LEU 6 -2.407 -7.909 -3.852 41 HD12 LEU 6 2HD1 LEU 6 -2.469 -8.804 -5.371 42 HD13 LEU 6 3HD1 LEU 6 -3.959 -8.444 -4.499 43 HD21 LEU 6 1HD2 LEU 6 -1.558 -5.296 -5.595 44 HD22 LEU 6 2HD2 LEU 6 -1.728 -6.249 -7.070 45 HD23 LEU 6 3HD2 LEU 6 -0.981 -6.961 -5.640 46 H LYS 7 HN LYS 7 -5.757 -3.904 -7.246 47 HA LYS 7 HA LYS 7 -7.841 -3.305 -7.935 48 HB2 LYS 7 2HB LYS 7 -6.679 -3.785 -10.213 49 HB3 LYS 7 3HB LYS 7 -7.655 -5.248 -10.217 50 HG2 LYS 7 2HG LYS 7 -9.297 -4.064 -11.112 51 HG3 LYS 7 3HG LYS 7 -9.426 -3.182 -9.588 52 HD2 LYS 7 2HD LYS 7 -7.386 -2.380 -11.626 53 HD3 LYS 7 3HD LYS 7 -9.067 -1.873 -11.807 54 HE2 LYS 7 2HE LYS 7 -8.341 -0.116 -10.575 55 HE3 LYS 7 3HE LYS 7 -8.697 -1.214 -9.243 56 HZ1 LYS 7 1HZ LYS 7 -6.019 -1.154 -10.484 57 HZ2 LYS 7 2HZ LYS 7 -6.463 -1.704 -8.947 58 HZ3 LYS 7 3HZ LYS 7 -6.440 -0.045 -9.277 59 H VAL 8 HN VAL 8 -7.059 -6.168 -6.712 60 HA VAL 8 HA VAL 8 -9.698 -6.822 -5.930 61 HB VAL 8 HB VAL 8 -9.176 -9.272 -7.083 62 HG11 VAL 8 1HG1 VAL 8 -11.297 -7.772 -6.853 63 HG12 VAL 8 2HG1 VAL 8 -10.894 -7.283 -8.500 64 HG13 VAL 8 3HG1 VAL 8 -11.207 -8.980 -8.135 65 HG21 VAL 8 1HG2 VAL 8 -8.721 -7.189 -9.210 66 HG22 VAL 8 2HG2 VAL 8 -7.424 -8.121 -8.464 67 HG23 VAL 8 3HG2 VAL 8 -8.679 -8.942 -9.390 68 HA PRO 9 HA PRO 9 -7.619 -9.045 -2.769 69 HB2 PRO 9 2HB PRO 9 -9.219 -11.195 -2.337 70 HB3 PRO 9 3HB PRO 9 -9.670 -9.552 -1.868 71 HG2 PRO 9 2HG PRO 9 -10.488 -11.125 -4.279 72 HG3 PRO 9 3HG PRO 9 -11.477 -10.097 -3.227 73 HD2 PRO 9 2HD PRO 9 -10.548 -9.258 -5.629 74 HD3 PRO 9 3HD PRO 9 -10.777 -8.156 -4.255 75 HA PRO 10 HA PRO 10 -5.034 -11.978 -4.896 76 HB2 PRO 10 2HB PRO 10 -3.375 -12.491 -2.809 77 HB3 PRO 10 3HB PRO 10 -3.282 -11.010 -3.769 78 HG2 PRO 10 2HG PRO 10 -4.573 -11.463 -1.106 79 HG3 PRO 10 3HG PRO 10 -3.575 -10.101 -1.649 80 HD2 PRO 10 2HD PRO 10 -6.277 -9.976 -1.543 81 HD3 PRO 10 3HD PRO 10 -5.327 -9.096 -2.758 82 H ASP 11 HN ASP 11 -4.656 -13.192 -1.670 83 HA ASP 11 HA ASP 11 -6.665 -15.080 -1.484 84 HB2 ASP 11 2HB ASP 11 -5.383 -17.149 -2.202 85 HB3 ASP 11 3HB ASP 11 -5.971 -16.121 -3.507 86 H GLU 12 HN GLU 12 -5.507 -13.614 0.392 87 HA GLU 12 HA GLU 12 -4.205 -15.614 2.074 88 HB2 GLU 12 2HB GLU 12 -3.076 -12.878 1.488 89 HB3 GLU 12 3HB GLU 12 -2.592 -13.834 2.881 90 HG2 GLU 12 2HG GLU 12 -0.983 -14.577 1.522 91 HG3 GLU 12 3HG GLU 12 -2.246 -15.632 0.893 92 H ASP 13 HN ASP 13 -4.150 -12.262 2.928 93 HA ASP 13 HA ASP 13 -6.544 -11.636 3.964 94 HB2 ASP 13 2HB ASP 13 -5.369 -13.869 5.485 95 HB3 ASP 13 3HB ASP 13 -5.944 -12.528 6.472 96 H CYS 14 HN CYS 14 -6.488 -9.791 5.221 97 HA CYS 14 HA CYS 14 -4.213 -8.215 5.163 98 HB2 CYS 14 2HB CYS 14 -6.564 -7.415 5.499 99 HB3 CYS 14 3HB CYS 14 -6.461 -7.964 7.168 100 H ILE 15 HN ILE 15 -2.911 -7.367 6.928 101 HA ILE 15 HA ILE 15 -2.381 -9.424 8.970 102 HB ILE 15 HB ILE 15 -0.213 -7.545 8.638 103 HG12 ILE 15 2HG1 ILE 15 -1.163 -9.028 6.183 104 HG13 ILE 15 3HG1 ILE 15 -0.911 -7.295 6.354 105 HG21 ILE 15 1HG2 ILE 15 0.138 -10.353 7.843 106 HG22 ILE 15 2HG2 ILE 15 1.024 -9.385 9.020 107 HG23 ILE 15 3HG2 ILE 15 -0.525 -10.105 9.457 108 HD11 ILE 15 1HD1 ILE 15 1.253 -9.380 6.460 109 HD12 ILE 15 2HD1 ILE 15 0.861 -8.376 5.063 110 HD13 ILE 15 3HD1 ILE 15 1.475 -7.633 6.540 111 H ILE 16 HN ILE 16 -3.283 -6.175 8.422 112 HA ILE 16 HA ILE 16 -2.459 -5.207 11.020 113 HB ILE 16 HB ILE 16 -4.183 -3.932 8.893 114 HG12 ILE 16 2HG1 ILE 16 -1.310 -3.447 9.710 115 HG13 ILE 16 3HG1 ILE 16 -1.839 -4.246 8.234 116 HG21 ILE 16 1HG2 ILE 16 -4.720 -2.326 10.327 117 HG22 ILE 16 2HG2 ILE 16 -3.983 -3.277 11.614 118 HG23 ILE 16 3HG2 ILE 16 -3.025 -2.078 10.746 119 HD11 ILE 16 1HD1 ILE 16 -2.723 -2.241 7.359 120 HD12 ILE 16 2HD1 ILE 16 -2.578 -1.417 8.912 121 HD13 ILE 16 3HD1 ILE 16 -1.129 -1.849 8.004 122 H CYS 17 HN CYS 17 -5.666 -5.164 9.464 123 HA CYS 17 HA CYS 17 -6.962 -5.295 12.038 124 HB2 CYS 17 2HB CYS 17 -8.993 -4.915 10.870 125 HB3 CYS 17 3HB CYS 17 -7.779 -3.936 10.053 126 H MET 18 HN MET 18 -5.507 -7.584 10.285 127 HA MET 18 HA MET 18 -5.769 -9.833 9.933 128 HB2 MET 18 2HB MET 18 -6.407 -9.208 12.737 129 HB3 MET 18 3HB MET 18 -6.972 -10.783 12.194 130 HG2 MET 18 2HG MET 18 -4.488 -10.891 11.243 131 HG3 MET 18 3HG MET 18 -4.221 -9.781 12.585 132 HE1 MET 18 1HE MET 18 -3.978 -13.020 11.393 133 HE2 MET 18 2HE MET 18 -2.742 -12.862 12.642 134 HE3 MET 18 3HE MET 18 -3.984 -14.107 12.782 135 H GLU 19 HN GLU 19 -7.511 -9.054 8.316 136 HA GLU 19 HA GLU 19 -9.944 -10.584 8.894 137 HB2 GLU 19 2HB GLU 19 -9.865 -7.784 7.760 138 HB3 GLU 19 3HB GLU 19 -11.289 -8.815 7.738 139 HG2 GLU 19 2HG GLU 19 -10.032 -8.467 10.370 140 HG3 GLU 19 3HG GLU 19 -10.738 -7.013 9.666 141 H LYS 20 HN LYS 20 -11.308 -10.339 6.605 142 HA LYS 20 HA LYS 20 -9.761 -11.897 4.778 143 HB2 LYS 20 2HB LYS 20 -12.569 -10.921 4.925 144 HB3 LYS 20 3HB LYS 20 -11.957 -11.392 3.345 145 HG2 LYS 20 2HG LYS 20 -11.594 -13.607 4.024 146 HG3 LYS 20 3HG LYS 20 -11.740 -13.194 5.734 147 HD2 LYS 20 2HD LYS 20 -14.102 -12.728 5.450 148 HD3 LYS 20 3HD LYS 20 -13.978 -13.028 3.715 149 HE2 LYS 20 2HE LYS 20 -13.013 -15.346 4.564 150 HE3 LYS 20 3HE LYS 20 -13.971 -14.944 5.989 151 HZ1 LYS 20 1HZ LYS 20 -15.912 -14.707 4.567 152 HZ2 LYS 20 2HZ LYS 20 -15.247 -16.254 4.420 153 HZ3 LYS 20 3HZ LYS 20 -14.992 -15.104 3.205 154 H LEU 21 HN LEU 21 -8.487 -11.196 3.203 155 HA LEU 21 HA LEU 21 -7.997 -8.504 2.662 156 HB2 LEU 21 2HB LEU 21 -7.244 -11.089 1.478 157 HB3 LEU 21 3HB LEU 21 -7.161 -9.710 0.382 158 HG LEU 21 HG LEU 21 -5.685 -10.006 2.997 159 HD11 LEU 21 1HD1 LEU 21 -3.783 -10.462 1.789 160 HD12 LEU 21 2HD1 LEU 21 -4.412 -9.733 0.314 161 HD13 LEU 21 3HD1 LEU 21 -5.005 -11.307 0.840 162 HD21 LEU 21 1HD2 LEU 21 -6.303 -7.688 1.346 163 HD22 LEU 21 2HD2 LEU 21 -4.572 -7.914 1.600 164 HD23 LEU 21 3HD2 LEU 21 -5.656 -7.773 2.985 165 H SER 22 HN SER 22 -10.615 -10.400 1.732 166 HA SER 22 HA SER 22 -11.155 -8.888 -0.706 167 HB2 SER 22 2HB SER 22 -11.640 -11.202 -0.942 168 HB3 SER 22 3HB SER 22 -12.496 -11.258 0.598 169 HG SER 22 HG SER 22 -13.802 -11.160 -1.405 170 H THR 23 HN THR 23 -12.489 -9.396 2.527 171 HA THR 23 HA THR 23 -14.843 -7.973 2.349 172 HB THR 23 HB THR 23 -14.527 -7.447 4.790 173 HG1 THR 23 1HG THR 23 -12.654 -8.465 5.752 174 HG21 THR 23 1HG2 THR 23 -14.420 -9.883 5.478 175 HG22 THR 23 2HG2 THR 23 -14.125 -10.257 3.779 176 HG23 THR 23 3HG2 THR 23 -15.632 -9.479 4.263 177 H ALA 24 HN ALA 24 -12.350 -6.442 4.278 178 HA ALA 24 HA ALA 24 -11.657 -4.292 2.684 179 HB1 ALA 24 1HB ALA 24 -13.215 -2.555 3.846 180 HB2 ALA 24 2HB ALA 24 -13.793 -3.458 2.444 181 HB3 ALA 24 3HB ALA 24 -14.280 -3.944 4.068 182 H SER 25 HN SER 25 -10.964 -2.331 4.040 183 HA SER 25 HA SER 25 -9.303 -3.266 6.136 184 HB2 SER 25 2HB SER 25 -8.399 -1.445 4.997 185 HB3 SER 25 3HB SER 25 -9.928 -0.566 4.985 186 HG SER 25 HG SER 25 -9.561 0.143 6.969 187 H GLY 26 HN GLY 26 -9.801 -3.614 8.191 188 HA2 GLY 26 1HA GLY 26 -12.352 -2.949 9.266 189 HA3 GLY 26 2HA GLY 26 -11.006 -3.652 10.151 190 H TYR 27 HN TYR 27 -9.642 -1.057 8.833 191 HA TYR 27 HA TYR 27 -10.021 0.522 11.253 192 HB2 TYR 27 2HB TYR 27 -8.015 0.647 9.004 193 HB3 TYR 27 3HB TYR 27 -8.111 1.882 10.254 194 HD1 TYR 27 1HD TYR 27 -5.633 1.100 10.475 195 HD2 TYR 27 2HD TYR 27 -8.984 -1.281 11.572 196 HE1 TYR 27 1HE TYR 27 -4.186 -0.257 11.928 197 HE2 TYR 27 2HE TYR 27 -7.546 -2.644 13.029 198 HH TYR 27 HH TYR 27 -4.131 -1.848 13.504 199 H SER 28 HN SER 28 -11.217 0.400 8.115 200 HA SER 28 HA SER 28 -11.442 2.955 7.199 201 HB2 SER 28 2HB SER 28 -12.557 1.649 5.727 202 HB3 SER 28 3HB SER 28 -13.075 0.522 6.981 203 HG SER 28 HG SER 28 -14.743 1.862 5.877 204 H ASP 29 HN ASP 29 -12.919 1.607 10.024 205 HA ASP 29 HA ASP 29 -15.093 3.180 10.510 206 HB2 ASP 29 2HB ASP 29 -13.119 1.790 12.182 207 HB3 ASP 29 3HB ASP 29 -13.923 3.132 12.991 208 H VAL 30 HN VAL 30 -11.707 4.034 11.168 209 HA VAL 30 HA VAL 30 -12.218 6.809 10.690 210 HB VAL 30 HB VAL 30 -11.137 7.198 13.150 211 HG11 VAL 30 1HG1 VAL 30 -14.104 7.060 12.652 212 HG12 VAL 30 2HG1 VAL 30 -13.248 8.112 13.780 213 HG13 VAL 30 3HG1 VAL 30 -13.067 8.348 12.041 214 HG21 VAL 30 1HG2 VAL 30 -11.441 4.785 13.676 215 HG22 VAL 30 2HG2 VAL 30 -12.285 5.865 14.785 216 HG23 VAL 30 3HG2 VAL 30 -13.183 5.016 13.528 217 H THR 31 HN THR 31 -10.546 6.385 9.174 218 HA THR 31 HA THR 31 -7.867 6.112 10.375 219 HB THR 31 HB THR 31 -7.543 5.653 7.660 220 HG1 THR 31 1HG THR 31 -9.896 4.330 8.590 221 HG21 THR 31 1HG2 THR 31 -7.506 3.173 8.516 222 HG22 THR 31 2HG2 THR 31 -7.679 3.933 10.098 223 HG23 THR 31 3HG2 THR 31 -6.297 4.327 9.076 224 H ASP 32 HN ASP 32 -9.964 8.260 8.925 225 HA ASP 32 HA ASP 32 -9.729 10.403 8.196 226 HB2 ASP 32 2HB ASP 32 -7.897 10.304 10.064 227 HB3 ASP 32 3HB ASP 32 -6.776 10.322 8.705 228 H SER 33 HN SER 33 -9.205 8.006 6.494 229 HA SER 33 HA SER 33 -7.437 9.162 4.458 230 HB2 SER 33 2HB SER 33 -8.640 6.435 4.195 231 HB3 SER 33 3HB SER 33 -7.073 7.025 3.642 232 HG SER 33 HG SER 33 -6.363 6.094 5.386 233 H LYS 34 HN LYS 34 -10.466 7.277 4.424 234 HA LYS 34 HA LYS 34 -12.174 7.284 2.884 235 HB2 LYS 34 2HB LYS 34 -11.929 10.085 3.924 236 HB3 LYS 34 3HB LYS 34 -13.157 9.702 2.725 237 HG2 LYS 34 2HG LYS 34 -14.150 8.073 4.194 238 HG3 LYS 34 3HG LYS 34 -12.859 8.303 5.375 239 HD2 LYS 34 2HD LYS 34 -14.341 10.725 4.543 240 HD3 LYS 34 3HD LYS 34 -15.230 9.555 5.520 241 HE2 LYS 34 2HE LYS 34 -13.901 9.871 7.353 242 HE3 LYS 34 3HE LYS 34 -12.491 10.314 6.392 243 HZ1 LYS 34 1HZ LYS 34 -14.574 12.212 6.065 244 HZ2 LYS 34 2HZ LYS 34 -12.990 12.449 6.608 245 HZ3 LYS 34 3HZ LYS 34 -14.205 12.024 7.706 246 H ALA 35 HN ALA 35 -9.694 7.306 1.574 247 HA ALA 35 HA ALA 35 -10.428 8.761 -0.868 248 HB1 ALA 35 1HB ALA 35 -8.737 10.121 0.192 249 HB2 ALA 35 2HB ALA 35 -7.673 8.724 0.359 250 HB3 ALA 35 3HB ALA 35 -8.062 9.351 -1.243 251 H LEU 36 HN LEU 36 -8.257 6.318 0.539 252 HA LEU 36 HA LEU 36 -7.598 5.044 -1.878 253 HB2 LEU 36 2HB LEU 36 -7.628 4.098 0.974 254 HB3 LEU 36 3HB LEU 36 -7.092 3.071 -0.355 255 HG LEU 36 HG LEU 36 -5.449 5.035 -0.846 256 HD11 LEU 36 1HD1 LEU 36 -4.738 6.020 1.414 257 HD12 LEU 36 2HD1 LEU 36 -6.361 5.590 1.953 258 HD13 LEU 36 3HD1 LEU 36 -6.147 6.713 0.610 259 HD21 LEU 36 1HD2 LEU 36 -3.867 3.690 0.006 260 HD22 LEU 36 2HD2 LEU 36 -5.217 2.613 0.364 261 HD23 LEU 36 3HD2 LEU 36 -4.591 3.689 1.615 262 H GLY 37 HN GLY 37 -10.538 5.203 -0.281 263 HA2 GLY 37 1HA GLY 37 -12.560 4.287 -0.982 264 HA3 GLY 37 2HA GLY 37 -11.672 3.202 -2.041 265 H SER 38 HN SER 38 -10.074 2.790 0.693 266 HA SER 38 HA SER 38 -9.957 1.070 2.186 267 HB2 SER 38 2HB SER 38 -11.825 0.847 3.688 268 HB3 SER 38 3HB SER 38 -11.706 2.546 3.230 269 HG SER 38 HG SER 38 -13.453 2.323 1.921 270 H LEU 39 HN LEU 39 -9.602 -0.259 0.169 271 HA LEU 39 HA LEU 39 -10.794 -2.739 0.394 272 HB2 LEU 39 2HB LEU 39 -12.840 -2.217 -0.436 273 HB3 LEU 39 3HB LEU 39 -12.230 -0.866 -1.387 274 HG LEU 39 HG LEU 39 -11.287 -2.580 -2.987 275 HD11 LEU 39 1HD1 LEU 39 -12.578 -4.341 -1.017 276 HD12 LEU 39 2HD1 LEU 39 -11.230 -4.650 -2.111 277 HD13 LEU 39 3HD1 LEU 39 -12.887 -4.731 -2.709 278 HD21 LEU 39 1HD2 LEU 39 -13.484 -3.001 -4.042 279 HD22 LEU 39 2HD2 LEU 39 -13.269 -1.326 -3.537 280 HD23 LEU 39 3HD2 LEU 39 -14.269 -2.416 -2.576 281 H ALA 40 HN ALA 40 -9.175 -0.383 -1.575 282 HA ALA 40 HA ALA 40 -8.218 -1.995 -3.644 283 HB1 ALA 40 1HB ALA 40 -6.291 -0.307 -3.666 284 HB2 ALA 40 2HB ALA 40 -7.927 0.306 -3.922 285 HB3 ALA 40 3HB ALA 40 -7.152 0.491 -2.349 286 H VAL 41 HN VAL 41 -6.715 -3.541 -3.765 287 HA VAL 41 HA VAL 41 -5.178 -4.155 -1.341 288 HB VAL 41 HB VAL 41 -5.134 -6.078 -3.578 289 HG11 VAL 41 1HG1 VAL 41 -4.595 -6.059 -0.838 290 HG12 VAL 41 2HG1 VAL 41 -6.034 -7.063 -1.027 291 HG13 VAL 41 3HG1 VAL 41 -4.564 -7.448 -1.924 292 HG21 VAL 41 1HG2 VAL 41 -7.368 -5.722 -3.939 293 HG22 VAL 41 2HG2 VAL 41 -7.449 -6.905 -2.633 294 HG23 VAL 41 3HG2 VAL 41 -7.664 -5.190 -2.283 295 H GLY 42 HN GLY 42 -3.045 -3.856 -1.279 296 HA2 GLY 42 1HA GLY 42 -1.625 -3.513 -3.849 297 HA3 GLY 42 2HA GLY 42 -1.300 -2.502 -2.448 298 H HIS 43 HN HIS 43 0.497 -4.249 -3.993 299 HA HIS 43 HA HIS 43 1.387 -5.974 -1.777 300 HB2 HIS 43 2HB HIS 43 0.551 -6.882 -4.233 301 HB3 HIS 43 3HB HIS 43 2.296 -6.776 -4.448 302 HD1 HIS 43 1HD HIS 43 0.114 -9.296 -3.871 303 HD2 HIS 43 2HD HIS 43 3.345 -7.944 -1.635 304 HE1 HIS 43 1HE HIS 43 0.794 -11.240 -2.427 305 H LEU 44 HN LEU 44 2.884 -4.583 -0.924 306 HA LEU 44 HA LEU 44 4.608 -2.894 -2.275 307 HB2 LEU 44 2HB LEU 44 4.277 -3.846 0.377 308 HB3 LEU 44 3HB LEU 44 5.988 -3.968 -0.030 309 HG LEU 44 HG LEU 44 4.643 -1.399 -0.640 310 HD11 LEU 44 1HD1 LEU 44 4.952 -0.632 1.687 311 HD12 LEU 44 2HD1 LEU 44 5.276 -2.297 2.166 312 HD13 LEU 44 3HD1 LEU 44 3.692 -1.856 1.525 313 HD21 LEU 44 1HD2 LEU 44 7.293 -2.055 0.637 314 HD22 LEU 44 2HD2 LEU 44 6.779 -0.498 -0.013 315 HD23 LEU 44 3HD2 LEU 44 7.038 -1.864 -1.098 316 H THR 45 HN THR 45 5.427 -3.883 -4.128 317 HA THR 45 HA THR 45 6.627 -6.308 -4.449 318 HB THR 45 HB THR 45 7.759 -5.468 -6.344 319 HG1 THR 45 1HG THR 45 7.619 -2.914 -5.083 320 HG21 THR 45 1HG2 THR 45 5.994 -4.643 -7.501 321 HG22 THR 45 2HG2 THR 45 5.694 -3.357 -6.332 322 HG23 THR 45 3HG2 THR 45 5.126 -4.994 -6.008 323 H LYS 46 HN LYS 46 7.779 -3.670 -2.575 324 HA LYS 46 HA LYS 46 10.510 -3.967 -2.558 325 HB2 LYS 46 2HB LYS 46 9.051 -2.313 -1.253 326 HB3 LYS 46 3HB LYS 46 8.933 -3.564 -0.023 327 HG2 LYS 46 2HG LYS 46 10.664 -2.080 0.628 328 HG3 LYS 46 3HG LYS 46 11.429 -3.576 0.089 329 HD2 LYS 46 2HD LYS 46 12.483 -2.553 -1.605 330 HD3 LYS 46 3HD LYS 46 11.049 -1.627 -2.053 331 HE2 LYS 46 2HE LYS 46 12.091 -0.689 0.453 332 HE3 LYS 46 3HE LYS 46 13.365 -0.699 -0.766 333 HZ1 LYS 46 1HZ LYS 46 11.886 0.571 -2.228 334 HZ2 LYS 46 2HZ LYS 46 12.217 1.399 -0.792 335 HZ3 LYS 46 3HZ LYS 46 10.723 0.635 -1.000 336 H CYS 47 HN CYS 47 8.137 -5.801 -0.653 337 HA CYS 47 HA CYS 47 10.217 -7.836 -0.195 338 HB2 CYS 47 2HB CYS 47 8.993 -8.345 1.960 339 HB3 CYS 47 3HB CYS 47 9.854 -6.810 1.923 340 H SER 48 HN SER 48 7.142 -7.097 -1.402 341 HA SER 48 HA SER 48 5.766 -8.435 -2.681 342 HB2 SER 48 2HB SER 48 7.865 -10.026 -2.682 343 HB3 SER 48 3HB SER 48 6.905 -10.953 -1.529 344 HG SER 48 HG SER 48 5.506 -11.452 -3.062 345 H HIS 49 HN HIS 49 5.284 -7.445 -0.028 346 HA HIS 49 HA HIS 49 3.534 -9.532 1.084 347 HB2 HIS 49 2HB HIS 49 4.524 -6.998 2.407 348 HB3 HIS 49 3HB HIS 49 3.575 -8.269 3.172 349 HD2 HIS 49 2HD HIS 49 6.624 -9.305 0.982 350 HE1 HIS 49 1HE HIS 49 7.625 -9.927 5.057 351 HE2 HIS 49 2HE HIS 49 8.370 -10.199 2.666 352 H ALA 50 HN ALA 50 1.436 -9.356 0.695 353 HA ALA 50 HA ALA 50 0.363 -6.798 -0.234 354 HB1 ALA 50 1HB ALA 50 -1.678 -8.659 -0.384 355 HB2 ALA 50 2HB ALA 50 -0.618 -8.155 -1.702 356 HB3 ALA 50 3HB ALA 50 -0.226 -9.589 -0.755 357 H PHE 51 HN PHE 51 -1.849 -6.198 0.512 358 HA PHE 51 HA PHE 51 -3.083 -7.144 2.796 359 HB2 PHE 51 2HB PHE 51 -2.136 -4.938 4.154 360 HB3 PHE 51 3HB PHE 51 -1.639 -6.603 4.432 361 HD1 PHE 51 1HD PHE 51 -0.819 -4.531 1.482 362 HD2 PHE 51 2HD PHE 51 0.589 -6.285 5.096 363 HE1 PHE 51 1HE PHE 51 1.489 -3.940 0.867 364 HE2 PHE 51 2HE PHE 51 2.898 -5.696 4.487 365 HZ PHE 51 HZ PHE 51 3.351 -4.521 2.370 366 H HIS 52 HN HIS 52 -4.049 -4.934 4.048 367 HA HIS 52 HA HIS 52 -5.675 -3.760 1.967 368 HB2 HIS 52 2HB HIS 52 -5.711 -3.624 4.975 369 HB3 HIS 52 3HB HIS 52 -6.754 -2.600 3.994 370 HD2 HIS 52 2HD HIS 52 -7.603 -4.997 1.820 371 HE1 HIS 52 1HE HIS 52 -9.165 -6.858 5.297 372 HE2 HIS 52 2HE HIS 52 -9.128 -6.853 2.778 373 H LEU 53 HN LEU 53 -4.770 -2.160 0.828 374 HA LEU 53 HA LEU 53 -2.697 -0.520 1.408 375 HB2 LEU 53 2HB LEU 53 -5.213 0.115 -0.113 376 HB3 LEU 53 3HB LEU 53 -3.819 1.192 -0.072 377 HG LEU 53 HG LEU 53 -3.830 -1.619 -1.172 378 HD11 LEU 53 1HD1 LEU 53 -4.401 -0.795 -3.155 379 HD12 LEU 53 2HD1 LEU 53 -3.251 0.533 -3.018 380 HD13 LEU 53 3HD1 LEU 53 -4.861 0.686 -2.315 381 HD21 LEU 53 1HD2 LEU 53 -1.639 -1.364 -0.603 382 HD22 LEU 53 2HD2 LEU 53 -1.706 0.397 -0.681 383 HD23 LEU 53 3HD2 LEU 53 -1.619 -0.549 -2.168 384 H LEU 54 HN LEU 54 -6.036 -0.097 2.451 385 HA LEU 54 HA LEU 54 -5.747 2.483 3.553 386 HB2 LEU 54 2HB LEU 54 -7.920 1.531 3.075 387 HB3 LEU 54 3HB LEU 54 -7.649 0.253 4.259 388 HG LEU 54 HG LEU 54 -8.213 1.570 6.008 389 HD11 LEU 54 1HD1 LEU 54 -6.973 3.827 4.466 390 HD12 LEU 54 2HD1 LEU 54 -6.441 3.105 5.984 391 HD13 LEU 54 3HD1 LEU 54 -7.899 4.096 5.944 392 HD21 LEU 54 1HD2 LEU 54 -10.141 1.649 4.543 393 HD22 LEU 54 2HD2 LEU 54 -9.492 3.072 3.725 394 HD23 LEU 54 3HD2 LEU 54 -9.984 3.174 5.416 395 H CYS 55 HN CYS 55 -6.152 -0.556 5.375 396 HA CYS 55 HA CYS 55 -5.464 0.256 7.861 397 HB2 CYS 55 2HB CYS 55 -4.561 -2.330 6.576 398 HB3 CYS 55 3HB CYS 55 -4.663 -2.026 8.307 399 H LEU 56 HN LEU 56 -3.211 -0.535 5.254 400 HA LEU 56 HA LEU 56 -0.858 -0.204 6.816 401 HB2 LEU 56 2HB LEU 56 -1.066 0.104 3.833 402 HB3 LEU 56 3HB LEU 56 0.343 -0.375 4.777 403 HG LEU 56 HG LEU 56 -2.109 -2.094 4.739 404 HD11 LEU 56 1HD1 LEU 56 0.109 -2.534 2.790 405 HD12 LEU 56 2HD1 LEU 56 -1.217 -1.444 2.383 406 HD13 LEU 56 3HD1 LEU 56 -1.550 -3.134 2.761 407 HD21 LEU 56 1HD2 LEU 56 -0.698 -3.771 5.475 408 HD22 LEU 56 2HD2 LEU 56 -0.041 -2.348 6.285 409 HD23 LEU 56 3HD2 LEU 56 0.745 -2.981 4.838 410 H LEU 57 HN LEU 57 -2.272 1.848 4.259 411 HA LEU 57 HA LEU 57 -0.622 4.011 4.390 412 HB2 LEU 57 2HB LEU 57 -2.448 3.818 2.800 413 HB3 LEU 57 3HB LEU 57 -3.622 4.037 4.096 414 HG LEU 57 HG LEU 57 -1.975 6.295 4.199 415 HD11 LEU 57 1HD1 LEU 57 -2.430 5.346 1.411 416 HD12 LEU 57 2HD1 LEU 57 -1.037 6.173 2.110 417 HD13 LEU 57 3HD1 LEU 57 -2.512 7.073 1.758 418 HD21 LEU 57 1HD2 LEU 57 -4.122 6.788 4.679 419 HD22 LEU 57 2HD2 LEU 57 -4.765 5.618 3.526 420 HD23 LEU 57 3HD2 LEU 57 -4.192 7.189 2.963 421 H ALA 58 HN ALA 58 -2.842 2.942 6.798 422 HA ALA 58 HA ALA 58 -3.047 5.427 8.208 423 HB1 ALA 58 1HB ALA 58 -4.595 3.313 8.264 424 HB2 ALA 58 2HB ALA 58 -3.502 2.806 9.552 425 HB3 ALA 58 3HB ALA 58 -4.396 4.319 9.699 426 H MET 59 HN MET 59 -1.556 2.345 9.225 427 HA MET 59 HA MET 59 0.035 3.601 11.219 428 HB2 MET 59 2HB MET 59 1.249 1.256 11.027 429 HB3 MET 59 3HB MET 59 -0.334 1.410 11.776 430 HG2 MET 59 2HG MET 59 -1.373 0.270 10.140 431 HG3 MET 59 3HG MET 59 -0.339 0.930 8.875 432 HE1 MET 59 1HE MET 59 1.445 -0.173 7.787 433 HE2 MET 59 2HE MET 59 2.566 0.068 9.126 434 HE3 MET 59 3HE MET 59 2.412 -1.524 8.380 435 H TYR 60 HN TYR 60 0.348 3.414 7.884 436 HA TYR 60 HA TYR 60 3.077 3.053 7.469 437 HB2 TYR 60 2HB TYR 60 2.434 3.361 5.352 438 HB3 TYR 60 3HB TYR 60 0.842 3.847 5.927 439 HD1 TYR 60 1HD TYR 60 3.439 4.816 3.884 440 HD2 TYR 60 2HD TYR 60 0.886 6.399 6.897 441 HE1 TYR 60 1HE TYR 60 3.823 7.082 3.009 442 HE2 TYR 60 2HE TYR 60 1.262 8.670 6.030 443 HH TYR 60 HH TYR 60 2.058 9.855 4.255 444 H CYS 61 HN CYS 61 1.338 5.758 8.763 445 HA CYS 61 HA CYS 61 2.952 7.909 8.312 446 HB2 CYS 61 2HB CYS 61 1.498 8.818 9.744 447 HB3 CYS 61 3HB CYS 61 0.949 7.211 10.206 448 HG CYS 61 HG CYS 61 2.039 7.123 12.553 449 H ASN 62 HN ASN 62 3.733 5.069 10.077 450 HA ASN 62 HA ASN 62 6.058 6.330 11.333 451 HB2 ASN 62 2HB ASN 62 4.318 4.409 12.254 452 HB3 ASN 62 3HB ASN 62 5.696 3.446 11.733 453 HD21 ASN 62 1HD2 ASN 62 4.383 5.019 14.278 454 HD22 ASN 62 2HD2 ASN 62 5.806 5.304 15.217 455 H GLY 63 HN GLY 63 5.420 3.308 9.532 456 HA2 GLY 63 1HA GLY 63 8.085 2.771 8.879 457 HA3 GLY 63 2HA GLY 63 6.688 2.173 7.994 458 H ASN 64 HN ASN 64 7.797 2.377 6.017 459 HA ASN 64 HA ASN 64 9.120 4.607 5.056 460 HB2 ASN 64 2HB ASN 64 8.135 3.716 2.761 461 HB3 ASN 64 3HB ASN 64 9.358 2.806 3.644 462 HD21 ASN 64 1HD2 ASN 64 8.374 1.102 2.241 463 HD22 ASN 64 2HD2 ASN 64 7.037 0.221 2.892 464 H LYS 65 HN LYS 65 7.989 6.450 5.820 465 HA LYS 65 HA LYS 65 5.330 6.990 4.804 466 HB2 LYS 65 2HB LYS 65 5.985 7.689 7.083 467 HB3 LYS 65 3HB LYS 65 7.202 8.756 6.393 468 HG2 LYS 65 2HG LYS 65 5.504 10.106 5.357 469 HG3 LYS 65 3HG LYS 65 4.244 8.985 5.877 470 HD2 LYS 65 2HD LYS 65 4.399 11.008 7.299 471 HD3 LYS 65 3HD LYS 65 4.670 9.511 8.193 472 HE2 LYS 65 2HE LYS 65 6.773 10.078 8.716 473 HE3 LYS 65 3HE LYS 65 7.113 10.669 7.091 474 HZ1 LYS 65 1HZ LYS 65 6.886 12.225 9.268 475 HZ2 LYS 65 2HZ LYS 65 5.327 12.341 8.622 476 HZ3 LYS 65 3HZ LYS 65 6.666 12.766 7.680 477 H ASP 66 HN ASP 66 5.921 6.898 2.536 478 HA ASP 66 HA ASP 66 7.028 9.463 1.612 479 HB2 ASP 66 2HB ASP 66 8.265 6.997 1.261 480 HB3 ASP 66 3HB ASP 66 7.454 7.287 -0.276 481 H GLY 67 HN GLY 67 4.272 8.652 2.035 482 HA2 GLY 67 1HA GLY 67 2.287 9.092 0.940 483 HA3 GLY 67 2HA GLY 67 3.218 9.473 -0.502 484 H SER 68 HN SER 68 2.484 6.603 1.488 485 HA SER 68 HA SER 68 1.250 5.242 -0.695 486 HB2 SER 68 2HB SER 68 4.086 4.569 0.041 487 HB3 SER 68 3HB SER 68 3.005 3.328 -0.592 488 HG SER 68 HG SER 68 2.642 4.810 -2.388 489 H LEU 69 HN LEU 69 3.219 3.438 1.524 490 HA LEU 69 HA LEU 69 1.381 3.253 3.663 491 HB2 LEU 69 2HB LEU 69 0.676 0.893 3.261 492 HB3 LEU 69 3HB LEU 69 -0.048 2.079 2.178 493 HG LEU 69 HG LEU 69 0.763 -0.198 1.238 494 HD11 LEU 69 1HD1 LEU 69 1.908 1.659 -0.594 495 HD12 LEU 69 2HD1 LEU 69 0.499 2.400 0.165 496 HD13 LEU 69 3HD1 LEU 69 0.341 0.852 -0.665 497 HD21 LEU 69 1HD2 LEU 69 3.003 -0.061 2.271 498 HD22 LEU 69 2HD2 LEU 69 3.362 1.331 1.249 499 HD23 LEU 69 3HD2 LEU 69 3.064 -0.246 0.518 500 H GLN 70 HN GLN 70 1.854 0.862 4.750 501 HA GLN 70 HA GLN 70 4.751 0.416 4.639 502 HB2 GLN 70 2HB GLN 70 4.420 1.945 6.487 503 HB3 GLN 70 3HB GLN 70 3.142 0.931 7.144 504 HG2 GLN 70 2HG GLN 70 4.866 -0.881 7.407 505 HG3 GLN 70 3HG GLN 70 6.081 0.332 7.006 506 HE21 GLN 70 1HE2 GLN 70 6.313 -0.899 9.362 507 HE22 GLN 70 2HE2 GLN 70 5.880 0.154 10.662 508 H CYS 71 HN CYS 71 5.438 -1.630 5.488 509 HA CYS 71 HA CYS 71 3.333 -3.663 5.276 510 HB2 CYS 71 2HB CYS 71 5.079 -4.052 3.706 511 HB3 CYS 71 3HB CYS 71 6.327 -3.779 4.918 512 HA PRO 72 HA PRO 72 3.876 -3.839 9.766 513 HB2 PRO 72 2HB PRO 72 1.551 -5.171 10.204 514 HB3 PRO 72 3HB PRO 72 1.624 -3.422 9.962 515 HG2 PRO 72 2HG PRO 72 0.922 -5.578 8.006 516 HG3 PRO 72 3HG PRO 72 0.145 -4.005 8.265 517 HD2 PRO 72 2HD PRO 72 1.884 -4.455 6.238 518 HD3 PRO 72 3HD PRO 72 1.734 -2.875 7.035 519 H SER 73 HN SER 73 3.931 -6.170 7.346 520 HA SER 73 HA SER 73 3.928 -8.519 8.984 521 HB2 SER 73 2HB SER 73 3.698 -8.038 6.275 522 HB3 SER 73 3HB SER 73 5.304 -8.754 6.410 523 HG SER 73 HG SER 73 4.263 -10.457 7.645 524 H CYS 74 HN CYS 74 6.504 -6.881 7.137 525 HA CYS 74 HA CYS 74 8.428 -7.863 9.141 526 HB2 CYS 74 2HB CYS 74 10.044 -8.300 7.459 527 HB3 CYS 74 3HB CYS 74 8.545 -9.015 6.877 528 H LYS 75 HN LYS 75 6.903 -5.233 8.398 529 HA LYS 75 HA LYS 75 7.282 -3.003 8.635 530 HB2 LYS 75 2HB LYS 75 9.918 -3.981 9.748 531 HB3 LYS 75 3HB LYS 75 9.372 -2.311 9.819 532 HG2 LYS 75 2HG LYS 75 7.352 -4.073 10.859 533 HG3 LYS 75 3HG LYS 75 8.895 -4.335 11.676 534 HD2 LYS 75 2HD LYS 75 9.052 -1.941 12.151 535 HD3 LYS 75 3HD LYS 75 7.516 -1.673 11.323 536 HE2 LYS 75 2HE LYS 75 6.442 -3.209 12.965 537 HE3 LYS 75 3HE LYS 75 7.975 -3.280 13.833 538 HZ1 LYS 75 1HZ LYS 75 5.969 -1.240 13.853 539 HZ2 LYS 75 2HZ LYS 75 7.507 -0.613 13.534 540 HZ3 LYS 75 3HZ LYS 75 7.238 -1.515 14.939 541 H THR 76 HN THR 76 7.238 -2.862 6.310 542 HA THR 76 HA THR 76 9.720 -1.762 5.264 543 HB THR 76 HB THR 76 8.594 -4.324 4.366 544 HG1 THR 76 1HG THR 76 10.870 -3.544 5.083 545 HG21 THR 76 1HG2 THR 76 9.412 -2.242 2.335 546 HG22 THR 76 2HG2 THR 76 7.794 -2.916 2.538 547 HG23 THR 76 3HG2 THR 76 9.118 -3.947 1.998 Start of MODEL 9 1 H1 ASN 1 HN ASN 1 3.435 4.440 -7.214 2 HA ASN 1 HA ASN 1 4.053 4.698 -4.371 3 HB2 ASN 1 2HB ASN 1 2.024 2.639 -5.096 4 HB3 ASN 1 3HB ASN 1 2.242 3.519 -3.586 5 HD21 ASN 1 1HD2 ASN 1 0.360 3.197 -6.288 6 HD22 ASN 1 2HD2 ASN 1 -0.481 4.705 -6.221 7 H TYR 2 HN TYR 2 4.420 2.370 -3.452 8 HA TYR 2 HA TYR 2 6.211 1.024 -5.346 9 HB2 TYR 2 2HB TYR 2 6.441 0.026 -2.660 10 HB3 TYR 2 3HB TYR 2 7.644 0.860 -3.638 11 HD1 TYR 2 1HD TYR 2 5.275 1.147 -0.916 12 HD2 TYR 2 2HD TYR 2 7.787 3.346 -3.553 13 HE1 TYR 2 1HE TYR 2 5.119 3.099 0.573 14 HE2 TYR 2 2HE TYR 2 7.639 5.304 -2.070 15 HH TYR 2 HH TYR 2 5.436 5.409 0.620 16 H THR 3 HN THR 3 3.135 0.739 -4.569 17 HA THR 3 HA THR 3 3.186 -2.200 -4.707 18 HB THR 3 HB THR 3 2.018 -2.421 -2.826 19 HG1 THR 3 1HG THR 3 0.201 -0.410 -3.699 20 HG21 THR 3 1HG2 THR 3 1.846 0.570 -2.529 21 HG22 THR 3 2HG2 THR 3 3.336 -0.327 -2.234 22 HG23 THR 3 3HG2 THR 3 1.902 -0.653 -1.260 23 H GLU 4 HN GLU 4 2.277 -2.886 -6.522 24 HA GLU 4 HA GLU 4 0.656 -1.138 -8.131 25 HB2 GLU 4 2HB GLU 4 2.267 -2.637 -9.188 26 HB3 GLU 4 3HB GLU 4 1.434 -4.033 -8.518 27 HG2 GLU 4 2HG GLU 4 0.272 -4.126 -10.398 28 HG3 GLU 4 3HG GLU 4 -0.538 -2.645 -9.891 29 H GLU 5 HN GLU 5 -1.416 -0.823 -7.664 30 HA GLU 5 HA GLU 5 -3.043 -2.194 -5.972 31 HB2 GLU 5 2HB GLU 5 -3.501 -0.022 -7.258 32 HB3 GLU 5 3HB GLU 5 -4.115 -1.052 -8.543 33 HG2 GLU 5 2HG GLU 5 -5.464 -2.038 -6.416 34 HG3 GLU 5 3HG GLU 5 -5.303 -0.343 -5.959 35 H LEU 6 HN LEU 6 -4.621 -3.813 -6.150 36 HA LEU 6 HA LEU 6 -4.103 -5.735 -8.311 37 HB2 LEU 6 2HB LEU 6 -5.357 -6.128 -5.597 38 HB3 LEU 6 3HB LEU 6 -5.133 -7.394 -6.803 39 HG LEU 6 HG LEU 6 -3.149 -6.106 -5.001 40 HD11 LEU 6 1HD1 LEU 6 -3.660 -8.199 -4.239 41 HD12 LEU 6 2HD1 LEU 6 -2.300 -8.577 -5.296 42 HD13 LEU 6 3HD1 LEU 6 -3.952 -8.840 -5.857 43 HD21 LEU 6 1HD2 LEU 6 -2.196 -5.550 -7.125 44 HD22 LEU 6 2HD2 LEU 6 -2.518 -7.168 -7.751 45 HD23 LEU 6 3HD2 LEU 6 -1.320 -6.937 -6.476 46 H LYS 7 HN LYS 7 -6.281 -3.401 -7.456 47 HA LYS 7 HA LYS 7 -8.366 -2.842 -8.177 48 HB2 LYS 7 2HB LYS 7 -7.307 -3.652 -10.363 49 HB3 LYS 7 3HB LYS 7 -8.198 -5.147 -10.111 50 HG2 LYS 7 2HG LYS 7 -10.048 -4.254 -10.933 51 HG3 LYS 7 3HG LYS 7 -9.948 -2.890 -9.818 52 HD2 LYS 7 2HD LYS 7 -8.106 -2.901 -12.146 53 HD3 LYS 7 3HD LYS 7 -9.813 -2.583 -12.457 54 HE2 LYS 7 2HE LYS 7 -9.559 -0.909 -10.465 55 HE3 LYS 7 3HE LYS 7 -7.843 -1.004 -10.859 56 HZ1 LYS 7 1HZ LYS 7 -9.679 -0.549 -13.077 57 HZ2 LYS 7 2HZ LYS 7 -8.135 0.084 -12.803 58 HZ3 LYS 7 3HZ LYS 7 -9.470 0.732 -11.992 59 H VAL 8 HN VAL 8 -7.718 -5.420 -6.432 60 HA VAL 8 HA VAL 8 -10.234 -5.805 -5.378 61 HB VAL 8 HB VAL 8 -10.403 -8.302 -6.383 62 HG11 VAL 8 1HG1 VAL 8 -11.788 -5.809 -6.695 63 HG12 VAL 8 2HG1 VAL 8 -11.879 -6.743 -8.190 64 HG13 VAL 8 3HG1 VAL 8 -12.434 -7.449 -6.671 65 HG21 VAL 8 1HG2 VAL 8 -9.731 -8.538 -8.543 66 HG22 VAL 8 2HG2 VAL 8 -9.900 -6.820 -8.902 67 HG23 VAL 8 3HG2 VAL 8 -8.496 -7.400 -8.004 68 HA PRO 9 HA PRO 9 -7.958 -8.154 -2.453 69 HB2 PRO 9 2HB PRO 9 -9.808 -9.911 -1.522 70 HB3 PRO 9 3HB PRO 9 -9.843 -8.185 -1.140 71 HG2 PRO 9 2HG PRO 9 -11.408 -9.704 -3.191 72 HG3 PRO 9 3HG PRO 9 -11.956 -8.436 -2.079 73 HD2 PRO 9 2HD PRO 9 -11.391 -7.946 -4.682 74 HD3 PRO 9 3HD PRO 9 -11.131 -6.741 -3.405 75 HA PRO 10 HA PRO 10 -6.467 -11.657 -4.775 76 HB2 PRO 10 2HB PRO 10 -4.460 -12.304 -3.064 77 HB3 PRO 10 3HB PRO 10 -4.361 -10.948 -4.192 78 HG2 PRO 10 2HG PRO 10 -5.028 -10.939 -1.274 79 HG3 PRO 10 3HG PRO 10 -3.981 -9.835 -2.186 80 HD2 PRO 10 2HD PRO 10 -6.521 -9.199 -1.496 81 HD3 PRO 10 3HD PRO 10 -5.761 -8.611 -2.990 82 H ASP 11 HN ASP 11 -5.525 -12.661 -1.593 83 HA ASP 11 HA ASP 11 -7.717 -14.125 -0.748 84 HB2 ASP 11 2HB ASP 11 -6.998 -16.442 -1.462 85 HB3 ASP 11 3HB ASP 11 -7.664 -15.432 -2.742 86 H GLU 12 HN GLU 12 -5.658 -12.675 0.425 87 HA GLU 12 HA GLU 12 -4.138 -14.744 1.870 88 HB2 GLU 12 2HB GLU 12 -2.603 -13.274 0.800 89 HB3 GLU 12 3HB GLU 12 -3.506 -11.852 1.304 90 HG2 GLU 12 2HG GLU 12 -2.120 -11.675 3.015 91 HG3 GLU 12 3HG GLU 12 -2.842 -13.142 3.674 92 H ASP 13 HN ASP 13 -4.333 -11.484 3.018 93 HA ASP 13 HA ASP 13 -6.515 -11.291 4.568 94 HB2 ASP 13 2HB ASP 13 -6.408 -13.272 5.735 95 HB3 ASP 13 3HB ASP 13 -4.647 -13.317 5.708 96 H CYS 14 HN CYS 14 -6.430 -9.573 6.010 97 HA CYS 14 HA CYS 14 -4.218 -7.807 5.694 98 HB2 CYS 14 2HB CYS 14 -6.566 -7.039 5.948 99 HB3 CYS 14 3HB CYS 14 -6.545 -7.601 7.617 100 H ILE 15 HN ILE 15 -2.630 -7.218 7.115 101 HA ILE 15 HA ILE 15 -2.181 -9.055 9.346 102 HB ILE 15 HB ILE 15 -0.079 -7.096 8.843 103 HG12 ILE 15 2HG1 ILE 15 -1.026 -8.893 6.613 104 HG13 ILE 15 3HG1 ILE 15 -0.728 -7.159 6.556 105 HG21 ILE 15 1HG2 ILE 15 -0.047 -9.290 10.168 106 HG22 ILE 15 2HG2 ILE 15 0.096 -10.080 8.599 107 HG23 ILE 15 3HG2 ILE 15 1.331 -8.937 9.125 108 HD11 ILE 15 1HD1 ILE 15 1.014 -8.382 5.401 109 HD12 ILE 15 2HD1 ILE 15 1.665 -7.569 6.825 110 HD13 ILE 15 3HD1 ILE 15 1.359 -9.306 6.863 111 H ILE 16 HN ILE 16 -2.982 -5.766 8.676 112 HA ILE 16 HA ILE 16 -2.211 -4.750 11.258 113 HB ILE 16 HB ILE 16 -4.048 -3.466 9.236 114 HG12 ILE 16 2HG1 ILE 16 -1.040 -3.372 9.508 115 HG13 ILE 16 3HG1 ILE 16 -1.970 -3.931 8.122 116 HG21 ILE 16 1HG2 ILE 16 -2.322 -1.864 11.010 117 HG22 ILE 16 2HG2 ILE 16 -3.979 -1.582 10.478 118 HG23 ILE 16 3HG2 ILE 16 -3.654 -2.717 11.788 119 HD11 ILE 16 1HD1 ILE 16 -2.649 -1.734 7.582 120 HD12 ILE 16 2HD1 ILE 16 -2.052 -1.100 9.116 121 HD13 ILE 16 3HD1 ILE 16 -0.914 -1.671 7.896 122 H CYS 17 HN CYS 17 -5.416 -4.745 9.697 123 HA CYS 17 HA CYS 17 -6.726 -4.770 12.262 124 HB2 CYS 17 2HB CYS 17 -8.752 -4.473 11.064 125 HB3 CYS 17 3HB CYS 17 -7.542 -3.529 10.200 126 H MET 18 HN MET 18 -5.135 -7.131 10.958 127 HA MET 18 HA MET 18 -5.363 -9.407 10.686 128 HB2 MET 18 2HB MET 18 -6.412 -8.656 13.375 129 HB3 MET 18 3HB MET 18 -6.565 -10.331 12.863 130 HG2 MET 18 2HG MET 18 -4.013 -10.025 12.281 131 HG3 MET 18 3HG MET 18 -4.134 -8.751 13.493 132 HE1 MET 18 1HE MET 18 -3.064 -11.940 12.797 133 HE2 MET 18 2HE MET 18 -3.251 -12.965 14.221 134 HE3 MET 18 3HE MET 18 -4.566 -12.830 13.051 135 H GLU 19 HN GLU 19 -7.387 -8.051 9.259 136 HA GLU 19 HA GLU 19 -9.677 -9.873 9.611 137 HB2 GLU 19 2HB GLU 19 -9.886 -7.242 9.818 138 HB3 GLU 19 3HB GLU 19 -9.936 -7.335 8.064 139 HG2 GLU 19 2HG GLU 19 -12.170 -7.355 8.728 140 HG3 GLU 19 3HG GLU 19 -11.797 -9.039 8.362 141 H LYS 20 HN LYS 20 -10.647 -10.755 7.747 142 HA LYS 20 HA LYS 20 -8.990 -11.784 5.823 143 HB2 LYS 20 2HB LYS 20 -11.784 -11.756 6.331 144 HB3 LYS 20 3HB LYS 20 -11.559 -11.389 4.626 145 HG2 LYS 20 2HG LYS 20 -10.309 -13.417 4.302 146 HG3 LYS 20 3HG LYS 20 -10.352 -13.763 6.032 147 HD2 LYS 20 2HD LYS 20 -12.888 -13.750 5.812 148 HD3 LYS 20 3HD LYS 20 -12.629 -13.785 4.065 149 HE2 LYS 20 2HE LYS 20 -11.514 -15.881 4.191 150 HE3 LYS 20 3HE LYS 20 -11.420 -15.798 5.950 151 HZ1 LYS 20 1HZ LYS 20 -13.257 -17.038 5.892 152 HZ2 LYS 20 2HZ LYS 20 -13.579 -16.687 4.270 153 HZ3 LYS 20 3HZ LYS 20 -14.074 -15.614 5.480 154 H LEU 21 HN LEU 21 -8.262 -11.203 3.830 155 HA LEU 21 HA LEU 21 -8.029 -8.462 3.217 156 HB2 LEU 21 2HB LEU 21 -7.211 -11.010 2.018 157 HB3 LEU 21 3HB LEU 21 -7.449 -9.702 0.861 158 HG LEU 21 HG LEU 21 -5.485 -9.837 3.136 159 HD11 LEU 21 1HD1 LEU 21 -4.879 -9.113 0.306 160 HD12 LEU 21 2HD1 LEU 21 -5.114 -10.805 0.742 161 HD13 LEU 21 3HD1 LEU 21 -3.846 -9.862 1.524 162 HD21 LEU 21 1HD2 LEU 21 -4.901 -7.491 2.019 163 HD22 LEU 21 2HD2 LEU 21 -6.001 -7.641 3.390 164 HD23 LEU 21 3HD2 LEU 21 -6.645 -7.488 1.754 165 H SER 22 HN SER 22 -10.566 -10.620 2.709 166 HA SER 22 HA SER 22 -11.597 -9.207 0.369 167 HB2 SER 22 2HB SER 22 -11.947 -11.851 1.501 168 HB3 SER 22 3HB SER 22 -13.506 -11.081 1.209 169 HG SER 22 HG SER 22 -12.786 -12.186 -0.640 170 H THR 23 HN THR 23 -11.926 -9.282 3.778 171 HA THR 23 HA THR 23 -14.577 -8.129 3.831 172 HB THR 23 HB THR 23 -14.075 -7.851 6.305 173 HG1 THR 23 1HG THR 23 -11.982 -9.664 6.066 174 HG21 THR 23 1HG2 THR 23 -15.379 -9.716 5.709 175 HG22 THR 23 2HG2 THR 23 -14.074 -10.381 6.691 176 HG23 THR 23 3HG2 THR 23 -14.018 -10.527 4.935 177 H ALA 24 HN ALA 24 -12.234 -6.761 2.496 178 HA ALA 24 HA ALA 24 -11.427 -4.651 2.216 179 HB1 ALA 24 1HB ALA 24 -13.422 -3.292 3.855 180 HB2 ALA 24 2HB ALA 24 -13.054 -3.120 2.139 181 HB3 ALA 24 3HB ALA 24 -14.117 -4.417 2.688 182 H SER 25 HN SER 25 -11.030 -2.473 3.593 183 HA SER 25 HA SER 25 -9.203 -3.241 5.632 184 HB2 SER 25 2HB SER 25 -8.347 -1.282 4.956 185 HB3 SER 25 3HB SER 25 -9.854 -0.842 4.153 186 HG SER 25 HG SER 25 -9.323 -0.540 6.926 187 H GLY 26 HN GLY 26 -9.655 -3.704 7.674 188 HA2 GLY 26 1HA GLY 26 -12.228 -3.274 8.809 189 HA3 GLY 26 2HA GLY 26 -10.811 -3.878 9.655 190 H TYR 27 HN TYR 27 -9.358 -1.369 8.708 191 HA TYR 27 HA TYR 27 -9.989 0.196 11.043 192 HB2 TYR 27 2HB TYR 27 -7.898 0.372 8.891 193 HB3 TYR 27 3HB TYR 27 -8.133 1.695 10.028 194 HD1 TYR 27 1HD TYR 27 -8.873 -1.469 11.481 195 HD2 TYR 27 2HD TYR 27 -5.662 1.152 10.518 196 HE1 TYR 27 1HE TYR 27 -7.447 -2.625 13.117 197 HE2 TYR 27 2HE TYR 27 -4.227 0.001 12.151 198 HH TYR 27 HH TYR 27 -4.645 -1.396 14.305 199 H SER 28 HN SER 28 -11.113 0.100 7.885 200 HA SER 28 HA SER 28 -11.422 2.640 6.985 201 HB2 SER 28 2HB SER 28 -12.324 0.608 5.865 202 HB3 SER 28 3HB SER 28 -13.645 0.584 7.034 203 HG SER 28 HG SER 28 -14.012 1.673 4.925 204 H ASP 29 HN ASP 29 -12.902 1.240 9.794 205 HA ASP 29 HA ASP 29 -15.053 2.934 10.221 206 HB2 ASP 29 2HB ASP 29 -13.340 1.226 11.905 207 HB3 ASP 29 3HB ASP 29 -14.151 2.534 12.762 208 H VAL 30 HN VAL 30 -11.647 3.393 11.081 209 HA VAL 30 HA VAL 30 -12.254 6.141 11.920 210 HB VAL 30 HB VAL 30 -9.907 4.335 12.445 211 HG11 VAL 30 1HG1 VAL 30 -10.010 7.297 12.436 212 HG12 VAL 30 2HG1 VAL 30 -9.180 6.518 13.785 213 HG13 VAL 30 3HG1 VAL 30 -8.657 6.207 12.130 214 HG21 VAL 30 1HG2 VAL 30 -11.572 3.999 14.048 215 HG22 VAL 30 2HG2 VAL 30 -10.472 5.141 14.819 216 HG23 VAL 30 3HG2 VAL 30 -11.985 5.712 14.115 217 H THR 31 HN THR 31 -10.038 4.290 9.854 218 HA THR 31 HA THR 31 -8.820 6.593 8.699 219 HB THR 31 HB THR 31 -7.735 5.091 7.169 220 HG1 THR 31 1HG THR 31 -8.556 2.716 7.596 221 HG21 THR 31 1HG2 THR 31 -6.768 3.437 8.718 222 HG22 THR 31 2HG2 THR 31 -8.055 3.785 9.874 223 HG23 THR 31 3HG2 THR 31 -6.886 5.037 9.449 224 H ASP 32 HN ASP 32 -10.166 7.983 7.687 225 HA ASP 32 HA ASP 32 -11.999 6.902 5.656 226 HB2 ASP 32 2HB ASP 32 -13.103 8.242 7.372 227 HB3 ASP 32 3HB ASP 32 -12.011 9.586 7.051 228 H SER 33 HN SER 33 -9.516 6.835 4.760 229 HA SER 33 HA SER 33 -8.608 9.262 3.568 230 HB2 SER 33 2HB SER 33 -7.120 7.671 2.241 231 HB3 SER 33 3HB SER 33 -6.949 7.616 3.995 232 HG SER 33 HG SER 33 -8.690 5.875 2.611 233 H LYS 34 HN LYS 34 -8.958 10.086 1.576 234 HA LYS 34 HA LYS 34 -11.104 8.883 0.010 235 HB2 LYS 34 2HB LYS 34 -11.225 11.279 0.577 236 HB3 LYS 34 3HB LYS 34 -9.723 11.557 -0.293 237 HG2 LYS 34 2HG LYS 34 -11.853 12.150 -1.507 238 HG3 LYS 34 3HG LYS 34 -10.721 11.109 -2.375 239 HD2 LYS 34 2HD LYS 34 -12.112 9.316 -2.308 240 HD3 LYS 34 3HD LYS 34 -12.778 9.756 -0.734 241 HE2 LYS 34 2HE LYS 34 -13.442 11.648 -2.857 242 HE3 LYS 34 3HE LYS 34 -14.055 10.020 -3.149 243 HZ1 LYS 34 1HZ LYS 34 -15.502 10.168 -1.454 244 HZ2 LYS 34 2HZ LYS 34 -15.329 11.836 -1.679 245 HZ3 LYS 34 3HZ LYS 34 -14.450 11.050 -0.465 246 H ALA 35 HN ALA 35 -7.793 8.754 0.085 247 HA ALA 35 HA ALA 35 -7.435 8.604 -2.808 248 HB1 ALA 35 1HB ALA 35 -5.152 8.721 -2.445 249 HB2 ALA 35 2HB ALA 35 -5.797 9.700 -1.127 250 HB3 ALA 35 3HB ALA 35 -5.271 8.045 -0.820 251 H LEU 36 HN LEU 36 -7.371 6.540 0.050 252 HA LEU 36 HA LEU 36 -6.516 4.200 -1.352 253 HB2 LEU 36 2HB LEU 36 -7.791 4.590 1.348 254 HB3 LEU 36 3HB LEU 36 -7.250 3.028 0.739 255 HG LEU 36 HG LEU 36 -5.769 4.603 2.333 256 HD11 LEU 36 1HD1 LEU 36 -4.240 3.153 0.259 257 HD12 LEU 36 2HD1 LEU 36 -5.446 2.232 1.155 258 HD13 LEU 36 3HD1 LEU 36 -4.147 3.056 2.017 259 HD21 LEU 36 1HD2 LEU 36 -5.579 6.431 0.784 260 HD22 LEU 36 2HD2 LEU 36 -5.018 5.349 -0.490 261 HD23 LEU 36 3HD2 LEU 36 -4.009 5.641 0.928 262 H GLY 37 HN GLY 37 -9.589 4.719 0.383 263 HA2 GLY 37 1HA GLY 37 -11.710 4.590 -0.813 264 HA3 GLY 37 2HA GLY 37 -10.963 3.409 -1.879 265 H SER 38 HN SER 38 -9.691 2.381 0.793 266 HA SER 38 HA SER 38 -10.100 0.708 2.280 267 HB2 SER 38 2HB SER 38 -11.844 1.076 3.671 268 HB3 SER 38 3HB SER 38 -12.149 2.495 2.668 269 HG SER 38 HG SER 38 -13.982 1.586 2.226 270 H LEU 39 HN LEU 39 -10.430 0.378 -0.687 271 HA LEU 39 HA LEU 39 -11.417 -2.337 -0.589 272 HB2 LEU 39 2HB LEU 39 -13.120 -2.150 -2.185 273 HB3 LEU 39 3HB LEU 39 -13.405 -0.839 -1.043 274 HG LEU 39 HG LEU 39 -11.816 0.232 -3.108 275 HD11 LEU 39 1HD1 LEU 39 -14.214 -0.750 -4.485 276 HD12 LEU 39 2HD1 LEU 39 -12.980 -1.970 -4.177 277 HD13 LEU 39 3HD1 LEU 39 -12.573 -0.514 -5.084 278 HD21 LEU 39 1HD2 LEU 39 -14.643 0.510 -2.173 279 HD22 LEU 39 2HD2 LEU 39 -14.090 1.379 -3.606 280 HD23 LEU 39 3HD2 LEU 39 -13.304 1.652 -2.049 281 H ALA 40 HN ALA 40 -8.859 -1.221 -1.017 282 HA ALA 40 HA ALA 40 -8.340 -2.245 -3.714 283 HB1 ALA 40 1HB ALA 40 -7.478 -0.359 -4.535 284 HB2 ALA 40 2HB ALA 40 -8.293 0.455 -3.199 285 HB3 ALA 40 3HB ALA 40 -6.600 -0.010 -3.046 286 H VAL 41 HN VAL 41 -6.914 -3.837 -3.569 287 HA VAL 41 HA VAL 41 -4.996 -3.822 -1.335 288 HB VAL 41 HB VAL 41 -5.351 -6.326 -2.851 289 HG11 VAL 41 1HG1 VAL 41 -4.886 -5.437 -0.056 290 HG12 VAL 41 2HG1 VAL 41 -5.633 -7.016 -0.308 291 HG13 VAL 41 3HG1 VAL 41 -4.052 -6.666 -1.008 292 HG21 VAL 41 1HG2 VAL 41 -7.448 -6.659 -1.228 293 HG22 VAL 41 2HG2 VAL 41 -7.624 -4.936 -1.559 294 HG23 VAL 41 3HG2 VAL 41 -7.609 -6.091 -2.891 295 H GLY 42 HN GLY 42 -2.833 -4.061 -1.705 296 HA2 GLY 42 1HA GLY 42 -1.848 -4.734 -4.347 297 HA3 GLY 42 2HA GLY 42 -1.575 -3.067 -3.864 298 H HIS 43 HN HIS 43 0.006 -5.804 -4.178 299 HA HIS 43 HA HIS 43 1.289 -6.078 -1.632 300 HB2 HIS 43 2HB HIS 43 2.305 -7.080 -4.294 301 HB3 HIS 43 3HB HIS 43 2.691 -7.704 -2.693 302 HD1 HIS 43 1HD HIS 43 -0.802 -7.129 -2.619 303 HD2 HIS 43 2HD HIS 43 1.618 -10.057 -4.302 304 HE1 HIS 43 1HE HIS 43 -2.312 -9.099 -3.021 305 H LEU 44 HN LEU 44 3.304 -5.374 -0.992 306 HA LEU 44 HA LEU 44 4.246 -2.968 -2.271 307 HB2 LEU 44 2HB LEU 44 4.239 -3.948 0.317 308 HB3 LEU 44 3HB LEU 44 5.936 -4.025 -0.157 309 HG LEU 44 HG LEU 44 4.480 -1.483 -0.652 310 HD11 LEU 44 1HD1 LEU 44 4.889 -0.734 1.641 311 HD12 LEU 44 2HD1 LEU 44 5.398 -2.364 2.081 312 HD13 LEU 44 3HD1 LEU 44 3.732 -2.065 1.587 313 HD21 LEU 44 1HD2 LEU 44 7.192 -1.832 0.557 314 HD22 LEU 44 2HD2 LEU 44 6.577 -0.530 -0.461 315 HD23 LEU 44 3HD2 LEU 44 6.948 -2.104 -1.168 316 H THR 45 HN THR 45 5.358 -3.272 -4.111 317 HA THR 45 HA THR 45 6.764 -5.353 -5.062 318 HB THR 45 HB THR 45 8.244 -3.773 -6.268 319 HG1 THR 45 1HG THR 45 8.609 -1.903 -5.367 320 HG21 THR 45 1HG2 THR 45 5.665 -4.196 -6.709 321 HG22 THR 45 2HG2 THR 45 6.584 -3.029 -7.659 322 HG23 THR 45 3HG2 THR 45 5.567 -2.478 -6.329 323 H LYS 46 HN LYS 46 7.872 -3.120 -2.585 324 HA LYS 46 HA LYS 46 10.560 -3.713 -2.457 325 HB2 LYS 46 2HB LYS 46 8.548 -2.989 -0.350 326 HB3 LYS 46 3HB LYS 46 10.215 -3.331 0.094 327 HG2 LYS 46 2HG LYS 46 10.354 -1.543 -2.055 328 HG3 LYS 46 3HG LYS 46 9.073 -0.940 -1.001 329 HD2 LYS 46 2HD LYS 46 10.791 -1.381 0.900 330 HD3 LYS 46 3HD LYS 46 11.976 -1.362 -0.409 331 HE2 LYS 46 2HE LYS 46 10.136 0.839 0.485 332 HE3 LYS 46 3HE LYS 46 11.898 0.845 0.414 333 HZ1 LYS 46 1HZ LYS 46 11.511 0.504 -2.097 334 HZ2 LYS 46 2HZ LYS 46 11.310 2.050 -1.441 335 HZ3 LYS 46 3HZ LYS 46 9.957 1.094 -1.785 336 H CYS 47 HN CYS 47 7.880 -5.439 -0.885 337 HA CYS 47 HA CYS 47 9.676 -7.753 -0.577 338 HB2 CYS 47 2HB CYS 47 8.605 -8.305 1.534 339 HB3 CYS 47 3HB CYS 47 9.254 -6.670 1.608 340 H SER 48 HN SER 48 6.293 -6.689 -0.762 341 HA SER 48 HA SER 48 4.558 -7.552 -1.990 342 HB2 SER 48 2HB SER 48 6.672 -8.563 -3.361 343 HB3 SER 48 3HB SER 48 5.921 -10.052 -2.787 344 HG SER 48 HG SER 48 3.903 -9.039 -3.644 345 H HIS 49 HN HIS 49 3.860 -7.806 0.291 346 HA HIS 49 HA HIS 49 3.618 -10.648 1.032 347 HB2 HIS 49 2HB HIS 49 3.569 -8.192 2.796 348 HB3 HIS 49 3HB HIS 49 3.245 -9.829 3.358 349 HD2 HIS 49 2HD HIS 49 6.131 -10.005 0.952 350 HE1 HIS 49 1HE HIS 49 7.860 -9.499 4.793 351 HE2 HIS 49 2HE HIS 49 8.298 -9.999 2.364 352 H ALA 50 HN ALA 50 1.946 -7.707 0.315 353 HA ALA 50 HA ALA 50 -0.256 -7.449 -0.320 354 HB1 ALA 50 1HB ALA 50 -1.668 -9.230 -0.568 355 HB2 ALA 50 2HB ALA 50 -0.115 -10.067 -0.555 356 HB3 ALA 50 3HB ALA 50 -1.105 -10.024 0.904 357 H PHE 51 HN PHE 51 -1.707 -6.239 0.748 358 HA PHE 51 HA PHE 51 -2.720 -6.803 3.317 359 HB2 PHE 51 2HB PHE 51 -1.331 -4.366 3.854 360 HB3 PHE 51 3HB PHE 51 -1.219 -5.902 4.706 361 HD1 PHE 51 1HD PHE 51 -0.135 -4.810 1.308 362 HD2 PHE 51 2HD PHE 51 0.986 -6.401 5.094 363 HE1 PHE 51 1HE PHE 51 2.176 -5.080 0.507 364 HE2 PHE 51 2HE PHE 51 3.298 -6.674 4.298 365 HZ PHE 51 HZ PHE 51 3.896 -6.012 2.003 366 H HIS 52 HN HIS 52 -3.814 -4.744 4.259 367 HA HIS 52 HA HIS 52 -5.362 -3.596 2.107 368 HB2 HIS 52 2HB HIS 52 -5.555 -3.486 5.109 369 HB3 HIS 52 3HB HIS 52 -6.569 -2.477 4.083 370 HD2 HIS 52 2HD HIS 52 -7.223 -4.897 1.851 371 HE1 HIS 52 1HE HIS 52 -8.962 -6.785 5.229 372 HE2 HIS 52 2HE HIS 52 -8.764 -6.785 2.718 373 H LEU 53 HN LEU 53 -4.167 -2.097 1.020 374 HA LEU 53 HA LEU 53 -2.266 -0.371 1.763 375 HB2 LEU 53 2HB LEU 53 -4.646 0.398 0.080 376 HB3 LEU 53 3HB LEU 53 -3.088 1.219 0.100 377 HG LEU 53 HG LEU 53 -3.400 -1.655 -0.736 378 HD11 LEU 53 1HD1 LEU 53 -3.346 0.762 -2.534 379 HD12 LEU 53 2HD1 LEU 53 -4.790 -0.175 -2.156 380 HD13 LEU 53 3HD1 LEU 53 -3.454 -0.929 -3.025 381 HD21 LEU 53 1HD2 LEU 53 -1.257 -1.129 -1.917 382 HD22 LEU 53 2HD2 LEU 53 -1.155 -1.094 -0.156 383 HD23 LEU 53 3HD2 LEU 53 -1.237 0.416 -1.066 384 H LEU 54 HN LEU 54 -5.725 0.130 2.348 385 HA LEU 54 HA LEU 54 -5.589 2.684 3.461 386 HB2 LEU 54 2HB LEU 54 -7.677 1.580 2.825 387 HB3 LEU 54 3HB LEU 54 -7.475 0.432 4.147 388 HG LEU 54 HG LEU 54 -8.169 1.922 5.728 389 HD11 LEU 54 1HD1 LEU 54 -7.014 4.035 3.943 390 HD12 LEU 54 2HD1 LEU 54 -6.562 3.605 5.593 391 HD13 LEU 54 3HD1 LEU 54 -8.082 4.446 5.286 392 HD21 LEU 54 1HD2 LEU 54 -9.513 2.412 3.147 393 HD22 LEU 54 2HD2 LEU 54 -9.831 3.585 4.426 394 HD23 LEU 54 3HD2 LEU 54 -10.175 1.875 4.692 395 H CYS 55 HN CYS 55 -6.094 -0.287 5.363 396 HA CYS 55 HA CYS 55 -5.577 0.669 7.855 397 HB2 CYS 55 2HB CYS 55 -4.654 -2.013 6.799 398 HB3 CYS 55 3HB CYS 55 -4.901 -1.599 8.492 399 H LEU 56 HN LEU 56 -3.261 0.046 5.330 400 HA LEU 56 HA LEU 56 -0.966 0.269 7.062 401 HB2 LEU 56 2HB LEU 56 -1.351 0.049 4.097 402 HB3 LEU 56 3HB LEU 56 0.229 0.416 4.787 403 HG LEU 56 HG LEU 56 -0.012 -1.735 6.114 404 HD11 LEU 56 1HD1 LEU 56 -2.526 -1.815 5.590 405 HD12 LEU 56 2HD1 LEU 56 -1.611 -3.321 5.532 406 HD13 LEU 56 3HD1 LEU 56 -2.034 -2.489 4.037 407 HD21 LEU 56 1HD2 LEU 56 1.106 -2.884 4.490 408 HD22 LEU 56 2HD2 LEU 56 1.200 -1.257 3.814 409 HD23 LEU 56 3HD2 LEU 56 -0.010 -2.393 3.216 410 H LEU 57 HN LEU 57 -2.700 2.328 4.785 411 HA LEU 57 HA LEU 57 -0.895 4.466 4.702 412 HB2 LEU 57 2HB LEU 57 -2.842 4.151 3.197 413 HB3 LEU 57 3HB LEU 57 -3.901 4.606 4.530 414 HG LEU 57 HG LEU 57 -2.232 6.753 4.415 415 HD11 LEU 57 1HD1 LEU 57 -2.208 5.426 1.785 416 HD12 LEU 57 2HD1 LEU 57 -1.050 6.542 2.508 417 HD13 LEU 57 3HD1 LEU 57 -2.530 7.160 1.774 418 HD21 LEU 57 1HD2 LEU 57 -4.848 6.241 3.015 419 HD22 LEU 57 2HD2 LEU 57 -4.112 7.839 3.150 420 HD23 LEU 57 3HD2 LEU 57 -4.592 6.962 4.604 421 H ALA 58 HN ALA 58 -2.665 3.287 7.293 422 HA ALA 58 HA ALA 58 -2.885 5.863 8.650 423 HB1 ALA 58 1HB ALA 58 -4.780 4.694 9.154 424 HB2 ALA 58 2HB ALA 58 -3.959 3.133 9.132 425 HB3 ALA 58 3HB ALA 58 -3.762 4.212 10.512 426 H MET 59 HN MET 59 -1.075 2.847 8.816 427 HA MET 59 HA MET 59 0.449 3.860 11.104 428 HB2 MET 59 2HB MET 59 1.420 1.551 11.145 429 HB3 MET 59 3HB MET 59 -0.319 1.612 11.403 430 HG2 MET 59 2HG MET 59 -0.575 0.141 9.779 431 HG3 MET 59 3HG MET 59 0.051 1.329 8.638 432 HE1 MET 59 1HE MET 59 3.173 -0.143 7.380 433 HE2 MET 59 2HE MET 59 1.487 0.074 6.910 434 HE3 MET 59 3HE MET 59 2.366 1.397 7.679 435 H TYR 60 HN TYR 60 0.588 3.822 7.772 436 HA TYR 60 HA TYR 60 3.316 3.307 7.283 437 HB2 TYR 60 2HB TYR 60 2.499 3.439 5.206 438 HB3 TYR 60 3HB TYR 60 1.032 4.218 5.788 439 HD1 TYR 60 1HD TYR 60 3.769 4.592 3.668 440 HD2 TYR 60 2HD TYR 60 1.393 6.798 6.423 441 HE1 TYR 60 1HE TYR 60 4.455 6.686 2.574 442 HE2 TYR 60 2HE TYR 60 2.073 8.898 5.337 443 HH TYR 60 HH TYR 60 3.350 9.837 3.782 444 H CYS 61 HN CYS 61 1.645 6.069 8.531 445 HA CYS 61 HA CYS 61 3.376 8.142 7.937 446 HB2 CYS 61 2HB CYS 61 1.660 9.080 9.055 447 HB3 CYS 61 3HB CYS 61 1.334 7.607 9.960 448 HG CYS 61 HG CYS 61 2.597 8.231 12.152 449 H ASN 62 HN ASN 62 3.971 5.379 9.811 450 HA ASN 62 HA ASN 62 6.171 6.630 11.278 451 HB2 ASN 62 2HB ASN 62 4.399 4.430 11.789 452 HB3 ASN 62 3HB ASN 62 6.064 3.857 11.829 453 HD21 ASN 62 1HD2 ASN 62 4.896 3.630 14.115 454 HD22 ASN 62 2HD2 ASN 62 5.335 4.876 15.229 455 H GLY 63 HN GLY 63 5.778 3.518 9.573 456 HA2 GLY 63 1HA GLY 63 8.586 3.414 8.958 457 HA3 GLY 63 2HA GLY 63 7.362 2.259 8.452 458 H ASN 64 HN ASN 64 9.151 2.719 6.607 459 HA ASN 64 HA ASN 64 9.661 3.685 4.581 460 HB2 ASN 64 2HB ASN 64 6.726 3.066 4.552 461 HB3 ASN 64 3HB ASN 64 7.478 3.804 3.141 462 HD21 ASN 64 1HD2 ASN 64 6.370 1.439 2.756 463 HD22 ASN 64 2HD2 ASN 64 7.559 0.193 2.607 464 H LYS 65 HN LYS 65 6.496 5.147 4.496 465 HA LYS 65 HA LYS 65 5.779 7.311 4.504 466 HB2 LYS 65 2HB LYS 65 7.963 7.297 6.369 467 HB3 LYS 65 3HB LYS 65 7.990 8.799 5.454 468 HG2 LYS 65 2HG LYS 65 5.632 7.717 6.984 469 HG3 LYS 65 3HG LYS 65 6.704 9.015 7.513 470 HD2 LYS 65 2HD LYS 65 5.614 9.459 4.848 471 HD3 LYS 65 3HD LYS 65 4.364 9.320 6.086 472 HE2 LYS 65 2HE LYS 65 4.780 11.528 6.337 473 HE3 LYS 65 3HE LYS 65 6.082 10.933 7.365 474 HZ1 LYS 65 1HZ LYS 65 6.566 11.322 4.491 475 HZ2 LYS 65 2HZ LYS 65 7.662 11.383 5.778 476 HZ3 LYS 65 3HZ LYS 65 6.583 12.662 5.524 477 H ASP 66 HN ASP 66 5.604 8.326 2.628 478 HA ASP 66 HA ASP 66 7.579 9.874 1.433 479 HB2 ASP 66 2HB ASP 66 8.887 8.333 0.450 480 HB3 ASP 66 3HB ASP 66 7.726 7.043 0.747 481 H GLY 67 HN GLY 67 4.699 7.921 1.043 482 HA2 GLY 67 1HA GLY 67 2.836 9.621 0.357 483 HA3 GLY 67 2HA GLY 67 3.764 9.646 -1.136 484 H SER 68 HN SER 68 3.091 6.879 0.966 485 HA SER 68 HA SER 68 1.106 5.816 -0.837 486 HB2 SER 68 2HB SER 68 3.853 4.569 -0.639 487 HB3 SER 68 3HB SER 68 2.439 3.700 -1.237 488 HG SER 68 HG SER 68 3.958 5.651 -2.447 489 H LEU 69 HN LEU 69 3.223 3.700 0.928 490 HA LEU 69 HA LEU 69 1.753 3.738 3.378 491 HB2 LEU 69 2HB LEU 69 0.820 1.477 3.201 492 HB3 LEU 69 3HB LEU 69 0.104 2.596 2.042 493 HG LEU 69 HG LEU 69 0.475 0.356 1.098 494 HD11 LEU 69 1HD1 LEU 69 2.441 1.868 -0.441 495 HD12 LEU 69 2HD1 LEU 69 0.981 2.781 -0.061 496 HD13 LEU 69 3HD1 LEU 69 0.861 1.243 -0.915 497 HD21 LEU 69 1HD2 LEU 69 2.597 -0.599 0.836 498 HD22 LEU 69 2HD2 LEU 69 2.576 -0.016 2.500 499 HD23 LEU 69 3HD2 LEU 69 3.423 0.901 1.254 500 H GLN 70 HN GLN 70 2.270 1.322 4.433 501 HA GLN 70 HA GLN 70 5.060 0.660 3.891 502 HB2 GLN 70 2HB GLN 70 5.145 2.426 5.593 503 HB3 GLN 70 3HB GLN 70 4.063 1.494 6.620 504 HG2 GLN 70 2HG GLN 70 6.165 -0.235 6.019 505 HG3 GLN 70 3HG GLN 70 6.918 1.328 6.335 506 HE21 GLN 70 1HE2 GLN 70 7.745 -0.148 8.125 507 HE22 GLN 70 2HE2 GLN 70 6.849 -0.125 9.602 508 H CYS 71 HN CYS 71 5.687 -1.396 4.596 509 HA CYS 71 HA CYS 71 3.508 -3.263 4.873 510 HB2 CYS 71 2HB CYS 71 5.241 -4.010 3.459 511 HB3 CYS 71 3HB CYS 71 6.493 -3.548 4.607 512 HA PRO 72 HA PRO 72 3.742 -2.998 9.347 513 HB2 PRO 72 2HB PRO 72 1.560 -4.551 9.787 514 HB3 PRO 72 3HB PRO 72 1.449 -2.847 9.325 515 HG2 PRO 72 2HG PRO 72 1.175 -5.294 7.621 516 HG3 PRO 72 3HG PRO 72 0.200 -3.812 7.617 517 HD2 PRO 72 2HD PRO 72 2.148 -4.281 5.795 518 HD3 PRO 72 3HD PRO 72 1.748 -2.648 6.367 519 H SER 73 HN SER 73 4.187 -5.621 7.256 520 HA SER 73 HA SER 73 4.499 -7.617 9.337 521 HB2 SER 73 2HB SER 73 4.296 -7.608 6.426 522 HB3 SER 73 3HB SER 73 5.560 -8.690 7.010 523 HG SER 73 HG SER 73 3.539 -9.742 6.907 524 H CYS 74 HN CYS 74 6.745 -7.239 6.664 525 HA CYS 74 HA CYS 74 8.973 -7.430 8.514 526 HB2 CYS 74 2HB CYS 74 10.339 -7.822 6.587 527 HB3 CYS 74 3HB CYS 74 8.856 -8.749 6.376 528 H LYS 75 HN LYS 75 7.347 -4.982 8.423 529 HA LYS 75 HA LYS 75 7.553 -2.708 8.277 530 HB2 LYS 75 2HB LYS 75 10.373 -3.486 9.039 531 HB3 LYS 75 3HB LYS 75 9.728 -1.853 9.142 532 HG2 LYS 75 2HG LYS 75 8.520 -4.190 10.597 533 HG3 LYS 75 3HG LYS 75 9.772 -3.155 11.289 534 HD2 LYS 75 2HD LYS 75 8.214 -1.205 10.734 535 HD3 LYS 75 3HD LYS 75 6.965 -2.429 10.494 536 HE2 LYS 75 2HE LYS 75 7.102 -3.140 12.746 537 HE3 LYS 75 3HE LYS 75 8.600 -2.248 13.013 538 HZ1 LYS 75 1HZ LYS 75 5.970 -0.993 12.443 539 HZ2 LYS 75 2HZ LYS 75 7.406 -0.189 12.829 540 HZ3 LYS 75 3HZ LYS 75 6.641 -1.157 13.987 541 H THR 76 HN THR 76 7.893 -4.088 5.771 542 HA THR 76 HA THR 76 10.067 -2.845 4.355 543 HB THR 76 HB THR 76 7.996 -4.827 3.742 544 HG1 THR 76 1HG THR 76 10.668 -4.281 2.953 545 HG21 THR 76 1HG2 THR 76 8.877 -2.869 1.619 546 HG22 THR 76 2HG2 THR 76 7.228 -3.165 2.171 547 HG23 THR 76 3HG2 THR 76 8.103 -4.418 1.291 Start of MODEL 10 1 H1 ASN 1 HN ASN 1 3.744 5.787 -6.503 2 HA ASN 1 HA ASN 1 4.182 4.820 -4.492 3 HB2 ASN 1 2HB ASN 1 2.448 2.897 -3.893 4 HB3 ASN 1 3HB ASN 1 1.992 4.597 -3.844 5 HD21 ASN 1 1HD2 ASN 1 2.049 1.787 -5.988 6 HD22 ASN 1 2HD2 ASN 1 0.597 2.186 -6.836 7 H TYR 2 HN TYR 2 4.636 2.598 -3.429 8 HA TYR 2 HA TYR 2 6.226 1.081 -5.343 9 HB2 TYR 2 2HB TYR 2 6.473 0.081 -2.672 10 HB3 TYR 2 3HB TYR 2 7.676 0.912 -3.653 11 HD1 TYR 2 1HD TYR 2 6.268 0.988 -0.570 12 HD2 TYR 2 2HD TYR 2 6.932 3.600 -3.863 13 HE1 TYR 2 1HE TYR 2 6.161 2.920 0.948 14 HE2 TYR 2 2HE TYR 2 6.827 5.539 -2.352 15 HH TYR 2 HH TYR 2 6.045 5.158 1.075 16 H THR 3 HN THR 3 3.182 0.919 -4.811 17 HA THR 3 HA THR 3 3.094 -2.018 -4.575 18 HB THR 3 HB THR 3 1.135 -1.979 -3.329 19 HG1 THR 3 1HG THR 3 -0.020 -0.491 -4.632 20 HG21 THR 3 1HG2 THR 3 2.612 0.503 -2.444 21 HG22 THR 3 2HG2 THR 3 3.008 -1.152 -1.985 22 HG23 THR 3 3HG2 THR 3 1.485 -0.432 -1.463 23 H GLU 4 HN GLU 4 1.410 -3.078 -5.780 24 HA GLU 4 HA GLU 4 0.342 -1.482 -8.010 25 HB2 GLU 4 2HB GLU 4 2.252 -2.737 -8.838 26 HB3 GLU 4 3HB GLU 4 1.598 -4.226 -8.173 27 HG2 GLU 4 2HG GLU 4 0.872 -4.520 -10.275 28 HG3 GLU 4 3HG GLU 4 -0.455 -3.493 -9.734 29 H GLU 5 HN GLU 5 -1.795 -1.576 -8.088 30 HA GLU 5 HA GLU 5 -3.450 -2.991 -6.439 31 HB2 GLU 5 2HB GLU 5 -3.904 -1.138 -8.284 32 HB3 GLU 5 3HB GLU 5 -4.391 -2.536 -9.232 33 HG2 GLU 5 2HG GLU 5 -5.786 -3.081 -7.059 34 HG3 GLU 5 3HG GLU 5 -5.650 -1.339 -6.828 35 H LEU 6 HN LEU 6 -4.526 -4.934 -6.473 36 HA LEU 6 HA LEU 6 -3.560 -6.888 -8.453 37 HB2 LEU 6 2HB LEU 6 -4.477 -7.305 -5.613 38 HB3 LEU 6 3HB LEU 6 -4.054 -8.600 -6.730 39 HG LEU 6 HG LEU 6 -2.303 -6.733 -5.228 40 HD11 LEU 6 1HD1 LEU 6 -2.829 -9.440 -5.194 41 HD12 LEU 6 2HD1 LEU 6 -1.468 -8.630 -4.420 42 HD13 LEU 6 3HD1 LEU 6 -1.280 -9.327 -6.030 43 HD21 LEU 6 1HD2 LEU 6 -0.460 -7.086 -6.798 44 HD22 LEU 6 2HD2 LEU 6 -1.774 -6.169 -7.538 45 HD23 LEU 6 3HD2 LEU 6 -1.567 -7.880 -7.920 46 H LYS 7 HN LYS 7 -5.000 -7.795 -9.766 47 HA LYS 7 HA LYS 7 -7.712 -7.011 -9.777 48 HB2 LYS 7 2HB LYS 7 -6.014 -8.878 -11.335 49 HB3 LYS 7 3HB LYS 7 -7.747 -9.175 -11.380 50 HG2 LYS 7 2HG LYS 7 -7.735 -6.537 -11.853 51 HG3 LYS 7 3HG LYS 7 -6.168 -6.973 -12.537 52 HD2 LYS 7 2HD LYS 7 -8.271 -8.836 -13.288 53 HD3 LYS 7 3HD LYS 7 -8.619 -7.182 -13.797 54 HE2 LYS 7 2HE LYS 7 -7.405 -7.915 -15.594 55 HE3 LYS 7 3HE LYS 7 -6.115 -7.248 -14.594 56 HZ1 LYS 7 1HZ LYS 7 -5.650 -9.487 -15.532 57 HZ2 LYS 7 2HZ LYS 7 -6.895 -10.110 -14.571 58 HZ3 LYS 7 3HZ LYS 7 -5.535 -9.412 -13.846 59 H VAL 8 HN VAL 8 -6.056 -9.449 -8.064 60 HA VAL 8 HA VAL 8 -8.591 -10.439 -7.005 61 HB VAL 8 HB VAL 8 -7.408 -12.800 -7.052 62 HG11 VAL 8 1HG1 VAL 8 -8.659 -11.835 -9.603 63 HG12 VAL 8 2HG1 VAL 8 -8.813 -13.409 -8.821 64 HG13 VAL 8 3HG1 VAL 8 -9.592 -11.993 -8.115 65 HG21 VAL 8 1HG2 VAL 8 -5.368 -11.839 -8.145 66 HG22 VAL 8 2HG2 VAL 8 -6.082 -13.210 -8.993 67 HG23 VAL 8 3HG2 VAL 8 -6.344 -11.571 -9.589 68 HA PRO 9 HA PRO 9 -6.446 -10.183 -3.174 69 HB2 PRO 9 2HB PRO 9 -7.907 -11.942 -1.710 70 HB3 PRO 9 3HB PRO 9 -8.508 -10.345 -2.173 71 HG2 PRO 9 2HG PRO 9 -9.051 -13.010 -3.424 72 HG3 PRO 9 3HG PRO 9 -10.179 -11.686 -3.078 73 HD2 PRO 9 2HD PRO 9 -9.164 -12.126 -5.549 74 HD3 PRO 9 3HD PRO 9 -9.561 -10.501 -4.956 75 HA PRO 10 HA PRO 10 -3.553 -13.571 -3.537 76 HB2 PRO 10 2HB PRO 10 -1.817 -12.645 -1.665 77 HB3 PRO 10 3HB PRO 10 -1.903 -11.989 -3.305 78 HG2 PRO 10 2HG PRO 10 -3.097 -10.925 -0.774 79 HG3 PRO 10 3HG PRO 10 -2.265 -10.050 -2.072 80 HD2 PRO 10 2HD PRO 10 -4.963 -10.112 -1.852 81 HD3 PRO 10 3HD PRO 10 -4.135 -10.019 -3.420 82 H ASP 11 HN ASP 11 -2.098 -14.509 -1.434 83 HA ASP 11 HA ASP 11 -4.148 -15.448 0.464 84 HB2 ASP 11 2HB ASP 11 -2.716 -17.559 0.578 85 HB3 ASP 11 3HB ASP 11 -3.641 -17.312 -0.901 86 H GLU 12 HN GLU 12 -3.644 -13.952 2.060 87 HA GLU 12 HA GLU 12 -1.536 -14.665 3.812 88 HB2 GLU 12 2HB GLU 12 -0.195 -13.448 2.141 89 HB3 GLU 12 3HB GLU 12 -1.211 -12.031 2.363 90 HG2 GLU 12 2HG GLU 12 0.459 -11.439 3.751 91 HG3 GLU 12 3HG GLU 12 -0.471 -12.404 4.895 92 H ASP 13 HN ASP 13 -3.953 -12.345 2.800 93 HA ASP 13 HA ASP 13 -5.520 -11.171 3.963 94 HB2 ASP 13 2HB ASP 13 -4.639 -12.839 6.328 95 HB3 ASP 13 3HB ASP 13 -6.127 -11.907 6.210 96 H CYS 14 HN CYS 14 -5.627 -9.240 5.054 97 HA CYS 14 HA CYS 14 -3.478 -7.632 5.321 98 HB2 CYS 14 2HB CYS 14 -5.847 -6.910 5.556 99 HB3 CYS 14 3HB CYS 14 -5.855 -7.564 7.190 100 H ILE 15 HN ILE 15 -2.378 -6.728 7.234 101 HA ILE 15 HA ILE 15 -1.856 -8.813 9.253 102 HB ILE 15 HB ILE 15 0.303 -6.900 8.968 103 HG12 ILE 15 2HG1 ILE 15 -0.605 -6.964 6.600 104 HG13 ILE 15 3HG1 ILE 15 1.079 -7.445 6.783 105 HG21 ILE 15 1HG2 ILE 15 -0.058 -9.861 9.028 106 HG22 ILE 15 2HG2 ILE 15 1.491 -9.184 8.527 107 HG23 ILE 15 3HG2 ILE 15 0.842 -8.815 10.125 108 HD11 ILE 15 1HD1 ILE 15 -0.322 -9.813 7.029 109 HD12 ILE 15 2HD1 ILE 15 -1.170 -8.935 5.756 110 HD13 ILE 15 3HD1 ILE 15 0.559 -9.249 5.610 111 H ILE 16 HN ILE 16 -2.662 -5.530 8.635 112 HA ILE 16 HA ILE 16 -1.951 -4.512 11.220 113 HB ILE 16 HB ILE 16 -3.721 -3.381 9.054 114 HG12 ILE 16 2HG1 ILE 16 -1.065 -2.294 9.928 115 HG13 ILE 16 3HG1 ILE 16 -1.132 -3.655 8.815 116 HG21 ILE 16 1HG2 ILE 16 -2.743 -2.037 11.571 117 HG22 ILE 16 2HG2 ILE 16 -3.683 -1.286 10.283 118 HG23 ILE 16 3HG2 ILE 16 -4.400 -2.562 11.267 119 HD11 ILE 16 1HD1 ILE 16 -2.476 -2.303 7.274 120 HD12 ILE 16 2HD1 ILE 16 -2.347 -0.937 8.383 121 HD13 ILE 16 3HD1 ILE 16 -0.900 -1.582 7.605 122 H CYS 17 HN CYS 17 -5.153 -4.793 9.672 123 HA CYS 17 HA CYS 17 -6.386 -4.980 12.305 124 HB2 CYS 17 2HB CYS 17 -8.454 -4.540 11.229 125 HB3 CYS 17 3HB CYS 17 -7.275 -3.494 10.444 126 H MET 18 HN MET 18 -4.849 -7.154 10.656 127 HA MET 18 HA MET 18 -5.081 -9.381 10.123 128 HB2 MET 18 2HB MET 18 -6.452 -9.275 12.815 129 HB3 MET 18 3HB MET 18 -5.779 -10.717 12.068 130 HG2 MET 18 2HG MET 18 -3.942 -8.433 12.377 131 HG3 MET 18 3HG MET 18 -4.471 -9.223 13.861 132 HE1 MET 18 1HE MET 18 -4.769 -11.668 13.927 133 HE2 MET 18 2HE MET 18 -4.284 -12.742 12.614 134 HE3 MET 18 3HE MET 18 -3.228 -12.521 14.010 135 H GLU 19 HN GLU 19 -6.632 -8.830 8.375 136 HA GLU 19 HA GLU 19 -9.129 -10.280 8.806 137 HB2 GLU 19 2HB GLU 19 -8.919 -7.439 7.841 138 HB3 GLU 19 3HB GLU 19 -10.283 -8.455 7.396 139 HG2 GLU 19 2HG GLU 19 -9.504 -8.081 10.260 140 HG3 GLU 19 3HG GLU 19 -10.515 -6.906 9.423 141 H LYS 20 HN LYS 20 -10.282 -10.618 6.653 142 HA LYS 20 HA LYS 20 -8.544 -11.930 4.880 143 HB2 LYS 20 2HB LYS 20 -11.432 -11.295 4.967 144 HB3 LYS 20 3HB LYS 20 -10.768 -11.612 3.370 145 HG2 LYS 20 2HG LYS 20 -10.055 -13.528 5.501 146 HG3 LYS 20 3HG LYS 20 -11.734 -13.525 4.959 147 HD2 LYS 20 2HD LYS 20 -9.684 -13.472 2.835 148 HD3 LYS 20 3HD LYS 20 -9.783 -14.961 3.778 149 HE2 LYS 20 2HE LYS 20 -12.339 -13.804 2.841 150 HE3 LYS 20 3HE LYS 20 -11.284 -14.488 1.607 151 HZ1 LYS 20 1HZ LYS 20 -12.596 -16.262 2.267 152 HZ2 LYS 20 2HZ LYS 20 -12.547 -15.840 3.905 153 HZ3 LYS 20 3HZ LYS 20 -11.178 -16.499 3.159 154 H LEU 21 HN LEU 21 -7.300 -11.179 3.302 155 HA LEU 21 HA LEU 21 -7.091 -8.459 2.661 156 HB2 LEU 21 2HB LEU 21 -5.915 -10.975 1.739 157 HB3 LEU 21 3HB LEU 21 -5.990 -9.724 0.500 158 HG LEU 21 HG LEU 21 -4.499 -9.679 3.110 159 HD11 LEU 21 1HD1 LEU 21 -2.604 -9.172 1.635 160 HD12 LEU 21 2HD1 LEU 21 -3.669 -9.298 0.237 161 HD13 LEU 21 3HD1 LEU 21 -3.359 -10.716 1.238 162 HD21 LEU 21 1HD2 LEU 21 -3.940 -7.299 1.852 163 HD22 LEU 21 2HD2 LEU 21 -4.974 -7.503 3.266 164 HD23 LEU 21 3HD2 LEU 21 -5.686 -7.455 1.652 165 H SER 22 HN SER 22 -9.416 -10.681 1.735 166 HA SER 22 HA SER 22 -9.959 -9.441 -0.847 167 HB2 SER 22 2HB SER 22 -11.145 -11.313 -1.367 168 HB3 SER 22 3HB SER 22 -10.220 -12.013 -0.039 169 HG SER 22 HG SER 22 -11.998 -12.202 1.053 170 H THR 23 HN THR 23 -11.428 -9.791 2.348 171 HA THR 23 HA THR 23 -13.877 -8.576 1.883 172 HB THR 23 HB THR 23 -12.153 -8.580 4.360 173 HG1 THR 23 1HG THR 23 -13.888 -10.316 3.203 174 HG21 THR 23 1HG2 THR 23 -14.445 -6.952 3.796 175 HG22 THR 23 2HG2 THR 23 -13.482 -7.042 5.271 176 HG23 THR 23 3HG2 THR 23 -14.851 -8.130 5.042 177 H ALA 24 HN ALA 24 -11.696 -6.778 3.947 178 HA ALA 24 HA ALA 24 -10.964 -4.672 2.327 179 HB1 ALA 24 1HB ALA 24 -13.744 -4.674 2.636 180 HB2 ALA 24 2HB ALA 24 -13.149 -3.380 3.678 181 HB3 ALA 24 3HB ALA 24 -12.739 -3.389 1.963 182 H SER 25 HN SER 25 -10.208 -2.792 3.516 183 HA SER 25 HA SER 25 -8.760 -3.304 5.745 184 HB2 SER 25 2HB SER 25 -8.198 -1.244 4.942 185 HB3 SER 25 3HB SER 25 -9.867 -0.820 4.562 186 HG SER 25 HG SER 25 -9.032 -1.035 7.240 187 H GLY 26 HN GLY 26 -8.982 -3.087 7.974 188 HA2 GLY 26 1HA GLY 26 -11.688 -3.519 8.946 189 HA3 GLY 26 2HA GLY 26 -10.204 -3.699 9.871 190 H TYR 27 HN TYR 27 -9.168 -1.080 9.180 191 HA TYR 27 HA TYR 27 -10.536 0.426 11.213 192 HB2 TYR 27 2HB TYR 27 -8.235 1.246 9.428 193 HB3 TYR 27 3HB TYR 27 -8.774 2.088 10.877 194 HD1 TYR 27 1HD TYR 27 -9.310 -0.783 12.231 195 HD2 TYR 27 2HD TYR 27 -5.969 1.150 10.441 196 HE1 TYR 27 1HE TYR 27 -7.792 -2.156 13.595 197 HE2 TYR 27 2HE TYR 27 -4.442 -0.218 11.799 198 HH TYR 27 HH TYR 27 -5.622 -2.316 14.342 199 H SER 28 HN SER 28 -11.294 -0.100 8.107 200 HA SER 28 HA SER 28 -11.671 2.182 6.725 201 HB2 SER 28 2HB SER 28 -12.500 0.159 5.788 202 HB3 SER 28 3HB SER 28 -13.607 -0.098 7.136 203 HG SER 28 HG SER 28 -15.015 0.958 6.010 204 H ASP 29 HN ASP 29 -13.260 1.313 9.696 205 HA ASP 29 HA ASP 29 -15.466 2.940 9.752 206 HB2 ASP 29 2HB ASP 29 -14.868 3.202 12.271 207 HB3 ASP 29 3HB ASP 29 -15.206 1.594 11.636 208 H VAL 30 HN VAL 30 -12.164 3.867 10.724 209 HA VAL 30 HA VAL 30 -12.304 6.440 9.607 210 HB VAL 30 HB VAL 30 -13.932 6.851 11.411 211 HG11 VAL 30 1HG1 VAL 30 -12.203 5.296 12.941 212 HG12 VAL 30 2HG1 VAL 30 -12.058 6.924 13.606 213 HG13 VAL 30 3HG1 VAL 30 -13.639 6.149 13.502 214 HG21 VAL 30 1HG2 VAL 30 -12.841 8.860 12.346 215 HG22 VAL 30 2HG2 VAL 30 -11.297 8.289 11.714 216 HG23 VAL 30 3HG2 VAL 30 -12.604 8.705 10.606 217 H THR 31 HN THR 31 -10.235 5.845 8.941 218 HA THR 31 HA THR 31 -8.200 5.504 11.025 219 HB THR 31 HB THR 31 -7.247 5.313 8.275 220 HG1 THR 31 1HG THR 31 -9.336 4.506 7.887 221 HG21 THR 31 1HG2 THR 31 -5.831 3.905 9.272 222 HG22 THR 31 2HG2 THR 31 -7.156 2.889 9.844 223 HG23 THR 31 3HG2 THR 31 -6.636 4.279 10.797 224 H ASP 32 HN ASP 32 -8.038 6.971 7.791 225 HA ASP 32 HA ASP 32 -7.854 9.612 8.316 226 HB2 ASP 32 2HB ASP 32 -5.482 8.199 9.348 227 HB3 ASP 32 3HB ASP 32 -5.127 9.606 8.350 228 H SER 33 HN SER 33 -8.356 7.759 6.203 229 HA SER 33 HA SER 33 -6.388 8.629 4.191 230 HB2 SER 33 2HB SER 33 -8.269 6.264 4.023 231 HB3 SER 33 3HB SER 33 -6.995 6.682 2.876 232 HG SER 33 HG SER 33 -5.708 5.567 4.088 233 H LYS 34 HN LYS 34 -7.131 9.383 2.182 234 HA LYS 34 HA LYS 34 -9.998 9.991 1.997 235 HB2 LYS 34 2HB LYS 34 -8.440 11.927 2.836 236 HB3 LYS 34 3HB LYS 34 -7.987 12.039 1.139 237 HG2 LYS 34 2HG LYS 34 -9.797 13.234 0.718 238 HG3 LYS 34 3HG LYS 34 -10.822 11.920 1.300 239 HD2 LYS 34 2HD LYS 34 -10.113 12.875 3.656 240 HD3 LYS 34 3HD LYS 34 -9.849 14.348 2.721 241 HE2 LYS 34 2HE LYS 34 -12.140 14.270 1.913 242 HE3 LYS 34 3HE LYS 34 -12.410 12.753 2.771 243 HZ1 LYS 34 1HZ LYS 34 -12.110 15.470 3.862 244 HZ2 LYS 34 2HZ LYS 34 -11.716 14.135 4.823 245 HZ3 LYS 34 3HZ LYS 34 -13.284 14.301 4.209 246 H ALA 35 HN ALA 35 -7.464 8.491 0.642 247 HA ALA 35 HA ALA 35 -8.483 8.920 -2.090 248 HB1 ALA 35 1HB ALA 35 -5.641 8.448 -1.211 249 HB2 ALA 35 2HB ALA 35 -6.181 8.359 -2.888 250 HB3 ALA 35 3HB ALA 35 -6.299 9.880 -2.003 251 H LEU 36 HN LEU 36 -7.057 6.640 0.201 252 HA LEU 36 HA LEU 36 -7.420 4.372 -1.522 253 HB2 LEU 36 2HB LEU 36 -7.084 4.092 1.423 254 HB3 LEU 36 3HB LEU 36 -6.402 3.126 0.116 255 HG LEU 36 HG LEU 36 -5.482 5.860 1.000 256 HD11 LEU 36 1HD1 LEU 36 -3.346 4.420 1.353 257 HD12 LEU 36 2HD1 LEU 36 -4.485 3.076 1.420 258 HD13 LEU 36 3HD1 LEU 36 -4.623 4.407 2.570 259 HD21 LEU 36 1HD2 LEU 36 -5.363 4.918 -1.544 260 HD22 LEU 36 2HD2 LEU 36 -3.848 4.304 -0.879 261 HD23 LEU 36 3HD2 LEU 36 -4.196 6.034 -0.833 262 H GLY 37 HN GLY 37 -9.068 5.671 1.342 263 HA2 GLY 37 1HA GLY 37 -11.054 5.032 2.346 264 HA3 GLY 37 2HA GLY 37 -11.638 5.150 0.693 265 H SER 38 HN SER 38 -9.269 2.764 1.599 266 HA SER 38 HA SER 38 -9.315 0.490 1.634 267 HB2 SER 38 2HB SER 38 -10.971 -0.547 2.905 268 HB3 SER 38 3HB SER 38 -11.043 1.115 3.491 269 HG SER 38 HG SER 38 -13.106 0.088 2.918 270 H LEU 39 HN LEU 39 -10.627 -1.478 0.738 271 HA LEU 39 HA LEU 39 -11.768 -2.504 -0.977 272 HB2 LEU 39 2HB LEU 39 -13.065 -0.158 -0.899 273 HB3 LEU 39 3HB LEU 39 -12.280 -0.002 -2.469 274 HG LEU 39 HG LEU 39 -13.398 -2.507 -2.605 275 HD11 LEU 39 1HD1 LEU 39 -14.560 -1.815 -0.409 276 HD12 LEU 39 2HD1 LEU 39 -15.535 -2.518 -1.701 277 HD13 LEU 39 3HD1 LEU 39 -15.543 -0.773 -1.440 278 HD21 LEU 39 1HD2 LEU 39 -13.371 -0.717 -4.316 279 HD22 LEU 39 2HD2 LEU 39 -14.684 0.085 -3.455 280 HD23 LEU 39 3HD2 LEU 39 -14.938 -1.511 -4.163 281 H ALA 40 HN ALA 40 -8.946 -1.738 -0.887 282 HA ALA 40 HA ALA 40 -8.317 -2.321 -3.652 283 HB1 ALA 40 1HB ALA 40 -6.613 -0.448 -3.724 284 HB2 ALA 40 2HB ALA 40 -8.305 0.027 -3.875 285 HB3 ALA 40 3HB ALA 40 -7.462 0.247 -2.342 286 H VAL 41 HN VAL 41 -6.802 -3.837 -3.653 287 HA VAL 41 HA VAL 41 -5.035 -4.061 -1.308 288 HB VAL 41 HB VAL 41 -5.691 -6.236 -3.295 289 HG11 VAL 41 1HG1 VAL 41 -3.830 -7.068 -2.328 290 HG12 VAL 41 2HG1 VAL 41 -3.970 -6.025 -0.911 291 HG13 VAL 41 3HG1 VAL 41 -4.948 -7.488 -1.031 292 HG21 VAL 41 1HG2 VAL 41 -6.807 -6.069 -0.518 293 HG22 VAL 41 2HG2 VAL 41 -7.633 -5.314 -1.880 294 HG23 VAL 41 3HG2 VAL 41 -7.351 -7.055 -1.874 295 H GLY 42 HN GLY 42 -2.968 -3.563 -1.591 296 HA2 GLY 42 1HA GLY 42 -1.743 -4.039 -4.224 297 HA3 GLY 42 2HA GLY 42 -1.583 -2.461 -3.468 298 H HIS 43 HN HIS 43 -0.054 -5.323 -3.960 299 HA HIS 43 HA HIS 43 1.221 -5.626 -1.401 300 HB2 HIS 43 2HB HIS 43 2.425 -7.419 -2.374 301 HB3 HIS 43 3HB HIS 43 0.821 -7.482 -3.098 302 HD1 HIS 43 1HD HIS 43 0.975 -8.023 -5.493 303 HD2 HIS 43 2HD HIS 43 4.165 -5.670 -4.249 304 HE1 HIS 43 1HE HIS 43 2.377 -7.651 -7.548 305 H LEU 44 HN LEU 44 3.227 -4.955 -0.774 306 HA LEU 44 HA LEU 44 4.315 -2.669 -2.090 307 HB2 LEU 44 2HB LEU 44 4.405 -3.725 0.462 308 HB3 LEU 44 3HB LEU 44 6.056 -3.920 -0.125 309 HG LEU 44 HG LEU 44 4.789 -1.257 -0.463 310 HD11 LEU 44 1HD1 LEU 44 5.986 -2.004 2.180 311 HD12 LEU 44 2HD1 LEU 44 4.255 -2.156 1.880 312 HD13 LEU 44 3HD1 LEU 44 5.036 -0.581 1.750 313 HD21 LEU 44 1HD2 LEU 44 7.532 -2.333 0.132 314 HD22 LEU 44 2HD2 LEU 44 7.143 -0.616 0.244 315 HD23 LEU 44 3HD2 LEU 44 6.981 -1.459 -1.298 316 H THR 45 HN THR 45 5.145 -3.122 -4.076 317 HA THR 45 HA THR 45 6.393 -5.238 -5.121 318 HB THR 45 HB THR 45 7.779 -3.762 -6.506 319 HG1 THR 45 1HG THR 45 8.364 -1.864 -5.780 320 HG21 THR 45 1HG2 THR 45 5.283 -2.181 -6.233 321 HG22 THR 45 2HG2 THR 45 5.113 -3.908 -6.553 322 HG23 THR 45 3HG2 THR 45 6.024 -2.890 -7.668 323 H LYS 46 HN LYS 46 7.748 -3.141 -2.677 324 HA LYS 46 HA LYS 46 10.429 -3.734 -2.780 325 HB2 LYS 46 2HB LYS 46 9.081 -2.223 -1.146 326 HB3 LYS 46 3HB LYS 46 9.001 -3.664 -0.141 327 HG2 LYS 46 2HG LYS 46 10.839 -2.388 0.621 328 HG3 LYS 46 3HG LYS 46 11.505 -3.767 -0.258 329 HD2 LYS 46 2HD LYS 46 12.228 -2.470 -2.013 330 HD3 LYS 46 3HD LYS 46 11.014 -1.221 -1.730 331 HE2 LYS 46 2HE LYS 46 12.301 -0.793 0.466 332 HE3 LYS 46 3HE LYS 46 13.605 -1.698 -0.300 333 HZ1 LYS 46 1HZ LYS 46 12.788 0.989 -0.735 334 HZ2 LYS 46 2HZ LYS 46 12.774 0.120 -2.185 335 HZ3 LYS 46 3HZ LYS 46 14.188 0.197 -1.261 336 H CYS 47 HN CYS 47 8.032 -5.481 -0.793 337 HA CYS 47 HA CYS 47 9.780 -7.848 -0.954 338 HB2 CYS 47 2HB CYS 47 8.892 -8.530 1.233 339 HB3 CYS 47 3HB CYS 47 9.675 -6.955 1.323 340 H SER 48 HN SER 48 6.507 -6.610 -1.090 341 HA SER 48 HA SER 48 4.636 -7.434 -2.105 342 HB2 SER 48 2HB SER 48 6.585 -8.512 -3.618 343 HB3 SER 48 3HB SER 48 5.894 -9.989 -2.947 344 HG SER 48 HG SER 48 4.610 -9.681 -4.627 345 H HIS 49 HN HIS 49 3.904 -7.652 0.112 346 HA HIS 49 HA HIS 49 3.682 -10.464 0.965 347 HB2 HIS 49 2HB HIS 49 3.731 -7.932 2.614 348 HB3 HIS 49 3HB HIS 49 3.279 -9.505 3.265 349 HD2 HIS 49 2HD HIS 49 6.230 -9.774 0.859 350 HE1 HIS 49 1HE HIS 49 7.843 -9.634 4.781 351 HE2 HIS 49 2HE HIS 49 8.342 -9.986 2.338 352 H ALA 50 HN ALA 50 2.004 -7.471 0.338 353 HA ALA 50 HA ALA 50 -0.203 -7.191 -0.280 354 HB1 ALA 50 1HB ALA 50 -0.104 -9.731 -0.740 355 HB2 ALA 50 2HB ALA 50 -0.927 -9.882 0.813 356 HB3 ALA 50 3HB ALA 50 -1.677 -8.970 -0.496 357 H PHE 51 HN PHE 51 -1.795 -6.163 0.831 358 HA PHE 51 HA PHE 51 -2.601 -6.838 3.464 359 HB2 PHE 51 2HB PHE 51 -1.433 -4.188 3.727 360 HB3 PHE 51 3HB PHE 51 -1.285 -5.587 4.785 361 HD1 PHE 51 1HD PHE 51 0.749 -6.661 4.981 362 HD2 PHE 51 2HD PHE 51 0.003 -4.225 1.570 363 HE1 PHE 51 1HE PHE 51 3.083 -6.958 4.262 364 HE2 PHE 51 2HE PHE 51 2.335 -4.519 0.846 365 HZ PHE 51 HZ PHE 51 3.878 -5.888 2.191 366 H HIS 52 HN HIS 52 -3.320 -4.228 4.329 367 HA HIS 52 HA HIS 52 -5.352 -3.579 2.302 368 HB2 HIS 52 2HB HIS 52 -5.365 -3.399 5.308 369 HB3 HIS 52 3HB HIS 52 -6.531 -2.514 4.329 370 HD2 HIS 52 2HD HIS 52 -6.876 -5.203 2.211 371 HE1 HIS 52 1HE HIS 52 -8.611 -6.867 5.707 372 HE2 HIS 52 2HE HIS 52 -8.301 -7.112 3.220 373 H LEU 53 HN LEU 53 -4.539 -1.947 1.110 374 HA LEU 53 HA LEU 53 -2.709 -0.062 1.589 375 HB2 LEU 53 2HB LEU 53 -5.350 0.248 0.193 376 HB3 LEU 53 3HB LEU 53 -4.139 1.527 0.204 377 HG LEU 53 HG LEU 53 -3.476 -1.218 -0.804 378 HD11 LEU 53 1HD1 LEU 53 -5.549 -0.181 -1.920 379 HD12 LEU 53 2HD1 LEU 53 -4.233 -0.744 -2.949 380 HD13 LEU 53 3HD1 LEU 53 -4.414 0.977 -2.610 381 HD21 LEU 53 1HD2 LEU 53 -2.191 0.758 -2.271 382 HD22 LEU 53 2HD2 LEU 53 -1.490 -0.233 -0.992 383 HD23 LEU 53 3HD2 LEU 53 -2.164 1.352 -0.611 384 H LEU 54 HN LEU 54 -6.150 0.686 2.174 385 HA LEU 54 HA LEU 54 -5.904 3.047 3.500 386 HB2 LEU 54 2HB LEU 54 -8.086 2.464 3.175 387 HB3 LEU 54 3HB LEU 54 -7.829 0.796 3.683 388 HG LEU 54 HG LEU 54 -8.065 1.324 5.944 389 HD11 LEU 54 1HD1 LEU 54 -6.931 3.834 5.157 390 HD12 LEU 54 2HD1 LEU 54 -7.065 3.123 6.765 391 HD13 LEU 54 3HD1 LEU 54 -8.380 4.106 6.124 392 HD21 LEU 54 1HD2 LEU 54 -10.092 3.053 5.859 393 HD22 LEU 54 2HD2 LEU 54 -10.243 1.384 5.306 394 HD23 LEU 54 3HD2 LEU 54 -9.981 2.681 4.138 395 H CYS 55 HN CYS 55 -5.609 -0.186 4.926 396 HA CYS 55 HA CYS 55 -5.239 0.659 7.587 397 HB2 CYS 55 2HB CYS 55 -4.321 -1.856 6.182 398 HB3 CYS 55 3HB CYS 55 -4.248 -1.611 7.923 399 H LEU 56 HN LEU 56 -2.874 -0.252 5.088 400 HA LEU 56 HA LEU 56 -0.546 0.100 6.533 401 HB2 LEU 56 2HB LEU 56 -0.834 0.923 3.658 402 HB3 LEU 56 3HB LEU 56 0.595 0.286 4.470 403 HG LEU 56 HG LEU 56 -1.884 -1.218 3.650 404 HD11 LEU 56 1HD1 LEU 56 0.870 -0.946 2.642 405 HD12 LEU 56 2HD1 LEU 56 -0.622 -1.333 1.788 406 HD13 LEU 56 3HD1 LEU 56 0.226 -2.588 2.692 407 HD21 LEU 56 1HD2 LEU 56 -0.031 -1.747 5.813 408 HD22 LEU 56 2HD2 LEU 56 -0.029 -3.040 4.614 409 HD23 LEU 56 3HD2 LEU 56 -1.538 -2.560 5.391 410 H LEU 57 HN LEU 57 -2.435 2.520 4.765 411 HA LEU 57 HA LEU 57 -0.712 4.693 5.084 412 HB2 LEU 57 2HB LEU 57 -3.018 4.348 3.805 413 HB3 LEU 57 3HB LEU 57 -3.637 5.163 5.241 414 HG LEU 57 HG LEU 57 -2.121 7.060 4.771 415 HD11 LEU 57 1HD1 LEU 57 -0.564 7.045 3.168 416 HD12 LEU 57 2HD1 LEU 57 -1.640 6.276 2.000 417 HD13 LEU 57 3HD1 LEU 57 -0.770 5.293 3.178 418 HD21 LEU 57 1HD2 LEU 57 -3.377 7.930 2.863 419 HD22 LEU 57 2HD2 LEU 57 -4.436 7.109 4.009 420 HD23 LEU 57 3HD2 LEU 57 -3.969 6.307 2.509 421 H ALA 58 HN ALA 58 -2.362 2.955 7.434 422 HA ALA 58 HA ALA 58 -2.582 5.193 9.294 423 HB1 ALA 58 1HB ALA 58 -3.153 2.540 10.360 424 HB2 ALA 58 2HB ALA 58 -4.147 3.997 10.349 425 HB3 ALA 58 3HB ALA 58 -4.111 2.943 8.935 426 H MET 59 HN MET 59 -0.698 2.274 8.759 427 HA MET 59 HA MET 59 0.866 2.804 11.178 428 HB2 MET 59 2HB MET 59 1.927 0.572 10.600 429 HB3 MET 59 3HB MET 59 0.227 0.529 11.050 430 HG2 MET 59 2HG MET 59 0.648 -0.930 9.172 431 HG3 MET 59 3HG MET 59 -0.396 0.407 8.694 432 HE1 MET 59 1HE MET 59 3.951 -0.051 8.338 433 HE2 MET 59 2HE MET 59 2.776 -1.294 8.765 434 HE3 MET 59 3HE MET 59 3.327 -1.136 7.096 435 H TYR 60 HN TYR 60 0.905 3.509 7.919 436 HA TYR 60 HA TYR 60 3.714 3.277 7.419 437 HB2 TYR 60 2HB TYR 60 2.798 3.367 5.364 438 HB3 TYR 60 3HB TYR 60 1.338 4.152 5.956 439 HD1 TYR 60 1HD TYR 60 4.337 4.568 4.092 440 HD2 TYR 60 2HD TYR 60 1.497 6.682 6.452 441 HE1 TYR 60 1HE TYR 60 5.067 6.682 3.067 442 HE2 TYR 60 2HE TYR 60 2.219 8.801 5.434 443 HH TYR 60 HH TYR 60 3.989 9.767 4.253 444 H CYS 61 HN CYS 61 1.785 5.491 9.115 445 HA CYS 61 HA CYS 61 3.178 7.896 8.663 446 HB2 CYS 61 2HB CYS 61 2.096 8.712 10.670 447 HB3 CYS 61 3HB CYS 61 0.949 7.744 9.751 448 HG CYS 61 HG CYS 61 1.751 7.460 12.871 449 H ASN 62 HN ASN 62 4.175 5.060 10.157 450 HA ASN 62 HA ASN 62 6.083 6.407 11.919 451 HB2 ASN 62 2HB ASN 62 4.744 3.843 11.933 452 HB3 ASN 62 3HB ASN 62 6.488 3.635 12.074 453 HD21 ASN 62 1HD2 ASN 62 3.790 5.495 13.404 454 HD22 ASN 62 2HD2 ASN 62 4.413 5.577 15.014 455 H GLY 63 HN GLY 63 6.162 3.755 9.525 456 HA2 GLY 63 1HA GLY 63 8.917 4.594 8.866 457 HA3 GLY 63 2HA GLY 63 8.338 2.939 8.749 458 H ASN 64 HN ASN 64 9.458 3.510 6.561 459 HA ASN 64 HA ASN 64 9.315 4.190 4.353 460 HB2 ASN 64 2HB ASN 64 7.149 2.305 5.050 461 HB3 ASN 64 3HB ASN 64 6.957 3.135 3.508 462 HD21 ASN 64 1HD2 ASN 64 7.155 0.858 2.776 463 HD22 ASN 64 2HD2 ASN 64 8.741 0.258 2.447 464 H LYS 65 HN LYS 65 8.835 6.447 5.540 465 HA LYS 65 HA LYS 65 6.207 7.488 4.894 466 HB2 LYS 65 2HB LYS 65 8.599 8.475 6.363 467 HB3 LYS 65 3HB LYS 65 7.535 9.681 5.652 468 HG2 LYS 65 2HG LYS 65 6.376 7.506 7.331 469 HG3 LYS 65 3HG LYS 65 7.168 8.883 8.100 470 HD2 LYS 65 2HD LYS 65 5.218 9.499 5.962 471 HD3 LYS 65 3HD LYS 65 4.561 8.850 7.466 472 HE2 LYS 65 2HE LYS 65 6.483 11.162 7.397 473 HE3 LYS 65 3HE LYS 65 4.736 11.376 7.295 474 HZ1 LYS 65 1HZ LYS 65 5.707 11.575 9.573 475 HZ2 LYS 65 2HZ LYS 65 6.064 9.922 9.511 476 HZ3 LYS 65 3HZ LYS 65 4.456 10.444 9.436 477 H ASP 66 HN ASP 66 7.882 6.547 2.713 478 HA ASP 66 HA ASP 66 9.093 8.675 1.325 479 HB2 ASP 66 2HB ASP 66 8.539 5.908 0.857 480 HB3 ASP 66 3HB ASP 66 8.041 6.829 -0.560 481 H GLY 67 HN GLY 67 5.881 7.184 0.866 482 HA2 GLY 67 1HA GLY 67 4.282 9.333 0.695 483 HA3 GLY 67 2HA GLY 67 5.073 9.361 -0.875 484 H SER 68 HN SER 68 4.247 6.432 0.877 485 HA SER 68 HA SER 68 1.935 5.971 -0.841 486 HB2 SER 68 2HB SER 68 4.133 3.906 -0.680 487 HB3 SER 68 3HB SER 68 2.723 3.907 -1.739 488 HG SER 68 HG SER 68 3.736 6.009 -2.505 489 H LEU 69 HN LEU 69 3.986 3.897 1.202 490 HA LEU 69 HA LEU 69 2.396 3.908 3.485 491 HB2 LEU 69 2HB LEU 69 1.249 1.729 3.261 492 HB3 LEU 69 3HB LEU 69 0.630 2.968 2.173 493 HG LEU 69 HG LEU 69 0.800 0.682 1.181 494 HD11 LEU 69 1HD1 LEU 69 1.315 1.493 -0.905 495 HD12 LEU 69 2HD1 LEU 69 2.655 2.473 -0.315 496 HD13 LEU 69 3HD1 LEU 69 0.994 2.990 -0.029 497 HD21 LEU 69 1HD2 LEU 69 2.969 0.157 2.364 498 HD22 LEU 69 2HD2 LEU 69 3.768 1.176 1.167 499 HD23 LEU 69 3HD2 LEU 69 2.899 -0.272 0.655 500 H GLN 70 HN GLN 70 2.627 1.452 4.536 501 HA GLN 70 HA GLN 70 5.409 0.621 4.096 502 HB2 GLN 70 2HB GLN 70 5.412 2.119 6.018 503 HB3 GLN 70 3HB GLN 70 4.128 1.185 6.776 504 HG2 GLN 70 2HG GLN 70 6.283 0.680 7.767 505 HG3 GLN 70 3HG GLN 70 5.610 -0.734 6.957 506 HE21 GLN 70 1HE2 GLN 70 8.386 0.769 7.527 507 HE22 GLN 70 2HE2 GLN 70 9.271 0.376 6.097 508 H CYS 71 HN CYS 71 5.907 -1.523 4.895 509 HA CYS 71 HA CYS 71 3.669 -3.324 4.511 510 HB2 CYS 71 2HB CYS 71 5.734 -3.850 3.366 511 HB3 CYS 71 3HB CYS 71 6.627 -3.826 4.883 512 HA PRO 72 HA PRO 72 3.121 -3.513 8.964 513 HB2 PRO 72 2HB PRO 72 0.839 -4.981 8.853 514 HB3 PRO 72 3HB PRO 72 0.874 -3.237 8.568 515 HG2 PRO 72 2HG PRO 72 0.814 -5.478 6.586 516 HG3 PRO 72 3HG PRO 72 -0.091 -3.953 6.577 517 HD2 PRO 72 2HD PRO 72 2.128 -4.340 5.073 518 HD3 PRO 72 3HD PRO 72 1.694 -2.755 5.745 519 H SER 73 HN SER 73 3.805 -5.942 6.700 520 HA SER 73 HA SER 73 3.650 -8.166 8.537 521 HB2 SER 73 2HB SER 73 3.272 -8.347 6.039 522 HB3 SER 73 3HB SER 73 5.008 -8.111 5.837 523 HG SER 73 HG SER 73 3.618 -10.280 6.945 524 H CYS 74 HN CYS 74 6.393 -7.039 6.566 525 HA CYS 74 HA CYS 74 8.150 -7.605 8.861 526 HB2 CYS 74 2HB CYS 74 9.910 -8.103 7.314 527 HB3 CYS 74 3HB CYS 74 8.482 -8.987 6.787 528 H LYS 75 HN LYS 75 6.782 -5.148 8.661 529 HA LYS 75 HA LYS 75 7.076 -2.869 8.386 530 HB2 LYS 75 2HB LYS 75 9.619 -3.672 9.814 531 HB3 LYS 75 3HB LYS 75 8.910 -2.062 9.809 532 HG2 LYS 75 2HG LYS 75 7.463 -4.477 10.859 533 HG3 LYS 75 3HG LYS 75 8.493 -3.455 11.864 534 HD2 LYS 75 2HD LYS 75 7.099 -1.555 11.490 535 HD3 LYS 75 3HD LYS 75 6.177 -2.403 10.247 536 HE2 LYS 75 2HE LYS 75 5.581 -4.068 12.105 537 HE3 LYS 75 3HE LYS 75 6.169 -2.833 13.218 538 HZ1 LYS 75 1HZ LYS 75 4.233 -1.805 13.054 539 HZ2 LYS 75 2HZ LYS 75 3.662 -3.001 12.003 540 HZ3 LYS 75 3HZ LYS 75 4.429 -1.627 11.383 541 H THR 76 HN THR 76 8.006 -4.345 6.079 542 HA THR 76 HA THR 76 10.529 -3.343 5.227 543 HB THR 76 HB THR 76 8.435 -5.023 4.108 544 HG1 THR 76 1HG THR 76 10.240 -6.043 3.261 545 HG21 THR 76 1HG2 THR 76 8.868 -4.534 1.755 546 HG22 THR 76 2HG2 THR 76 9.893 -3.175 2.215 547 HG23 THR 76 3HG2 THR 76 8.165 -3.133 2.562 Start of MODEL 11 1 H1 ASN 1 HN ASN 1 4.318 4.168 -6.764 2 HA ASN 1 HA ASN 1 4.268 4.739 -3.930 3 HB2 ASN 1 2HB ASN 1 2.484 2.626 -4.004 4 HB3 ASN 1 3HB ASN 1 2.077 4.307 -3.676 5 HD21 ASN 1 1HD2 ASN 1 2.939 2.505 -6.609 6 HD22 ASN 1 2HD2 ASN 1 1.550 2.987 -7.517 7 H TYR 2 HN TYR 2 4.206 2.382 -2.783 8 HA TYR 2 HA TYR 2 6.500 1.004 -3.939 9 HB2 TYR 2 2HB TYR 2 5.266 0.280 -1.304 10 HB3 TYR 2 3HB TYR 2 6.949 0.176 -1.809 11 HD1 TYR 2 1HD TYR 2 5.203 1.650 0.564 12 HD2 TYR 2 2HD TYR 2 7.524 2.851 -2.794 13 HE1 TYR 2 1HE TYR 2 5.658 3.807 1.657 14 HE2 TYR 2 2HE TYR 2 7.986 5.009 -1.710 15 HH TYR 2 HH TYR 2 7.448 5.592 1.532 16 H THR 3 HN THR 3 3.119 0.627 -3.608 17 HA THR 3 HA THR 3 3.334 -2.191 -4.449 18 HB THR 3 HB THR 3 2.061 -2.709 -2.692 19 HG1 THR 3 1HG THR 3 -0.001 -1.043 -3.701 20 HG21 THR 3 1HG2 THR 3 2.759 -0.474 -1.730 21 HG22 THR 3 2HG2 THR 3 1.249 -1.139 -1.107 22 HG23 THR 3 3HG2 THR 3 1.215 0.155 -2.304 23 H GLU 4 HN GLU 4 1.279 -2.911 -5.637 24 HA GLU 4 HA GLU 4 0.168 -0.769 -7.300 25 HB2 GLU 4 2HB GLU 4 1.458 -1.363 -9.028 26 HB3 GLU 4 3HB GLU 4 2.068 -2.770 -8.169 27 HG2 GLU 4 2HG GLU 4 0.260 -4.115 -8.923 28 HG3 GLU 4 3HG GLU 4 -0.587 -2.714 -9.575 29 H GLU 5 HN GLU 5 -1.967 -0.926 -7.327 30 HA GLU 5 HA GLU 5 -3.583 -2.647 -6.087 31 HB2 GLU 5 2HB GLU 5 -4.033 -0.628 -7.819 32 HB3 GLU 5 3HB GLU 5 -4.545 -1.987 -8.809 33 HG2 GLU 5 2HG GLU 5 -6.206 -2.618 -7.250 34 HG3 GLU 5 3HG GLU 5 -5.567 -1.523 -6.025 35 H LEU 6 HN LEU 6 -4.505 -4.639 -6.360 36 HA LEU 6 HA LEU 6 -3.254 -6.347 -8.384 37 HB2 LEU 6 2HB LEU 6 -4.656 -6.931 -5.793 38 HB3 LEU 6 3HB LEU 6 -4.267 -8.193 -6.959 39 HG LEU 6 HG LEU 6 -2.450 -6.612 -5.195 40 HD11 LEU 6 1HD1 LEU 6 -3.413 -9.019 -4.846 41 HD12 LEU 6 2HD1 LEU 6 -1.730 -8.660 -4.458 42 HD13 LEU 6 3HD1 LEU 6 -2.132 -9.470 -5.972 43 HD21 LEU 6 1HD2 LEU 6 -0.548 -7.504 -6.582 44 HD22 LEU 6 2HD2 LEU 6 -1.456 -6.176 -7.304 45 HD23 LEU 6 3HD2 LEU 6 -1.729 -7.831 -7.851 46 H LYS 7 HN LYS 7 -6.117 -4.706 -7.800 47 HA LYS 7 HA LYS 7 -8.134 -4.666 -8.854 48 HB2 LYS 7 2HB LYS 7 -6.329 -5.564 -10.776 49 HB3 LYS 7 3HB LYS 7 -7.652 -6.721 -10.853 50 HG2 LYS 7 2HG LYS 7 -9.184 -4.672 -10.970 51 HG3 LYS 7 3HG LYS 7 -7.714 -3.766 -11.335 52 HD2 LYS 7 2HD LYS 7 -7.608 -6.000 -12.998 53 HD3 LYS 7 3HD LYS 7 -9.296 -5.484 -13.042 54 HE2 LYS 7 2HE LYS 7 -6.899 -3.725 -13.562 55 HE3 LYS 7 3HE LYS 7 -7.960 -4.406 -14.794 56 HZ1 LYS 7 1HZ LYS 7 -8.683 -2.213 -14.429 57 HZ2 LYS 7 2HZ LYS 7 -8.630 -2.375 -12.746 58 HZ3 LYS 7 3HZ LYS 7 -9.813 -3.193 -13.636 59 H VAL 8 HN VAL 8 -7.037 -7.115 -7.110 60 HA VAL 8 HA VAL 8 -9.594 -8.265 -6.688 61 HB VAL 8 HB VAL 8 -9.186 -9.495 -8.714 62 HG11 VAL 8 1HG1 VAL 8 -6.483 -9.900 -7.523 63 HG12 VAL 8 2HG1 VAL 8 -7.134 -11.124 -8.615 64 HG13 VAL 8 3HG1 VAL 8 -6.934 -9.461 -9.170 65 HG21 VAL 8 1HG2 VAL 8 -8.926 -11.864 -7.693 66 HG22 VAL 8 2HG2 VAL 8 -8.914 -11.013 -6.148 67 HG23 VAL 8 3HG2 VAL 8 -10.307 -10.871 -7.222 68 HA PRO 9 HA PRO 9 -7.563 -9.008 -2.843 69 HB2 PRO 9 2HB PRO 9 -9.451 -10.590 -1.706 70 HB3 PRO 9 3HB PRO 9 -9.647 -8.844 -1.893 71 HG2 PRO 9 2HG PRO 9 -10.736 -11.064 -3.580 72 HG3 PRO 9 3HG PRO 9 -11.541 -9.588 -3.019 73 HD2 PRO 9 2HD PRO 9 -10.549 -9.842 -5.525 74 HD3 PRO 9 3HD PRO 9 -10.585 -8.289 -4.665 75 HA PRO 10 HA PRO 10 -5.642 -12.927 -4.030 76 HB2 PRO 10 2HB PRO 10 -3.412 -12.539 -2.531 77 HB3 PRO 10 3HB PRO 10 -3.642 -11.800 -4.119 78 HG2 PRO 10 2HG PRO 10 -4.041 -10.612 -1.400 79 HG3 PRO 10 3HG PRO 10 -3.281 -9.896 -2.833 80 HD2 PRO 10 2HD PRO 10 -5.821 -9.321 -2.091 81 HD3 PRO 10 3HD PRO 10 -5.306 -9.350 -3.789 82 H ASP 11 HN ASP 11 -4.122 -14.329 -2.289 83 HA ASP 11 HA ASP 11 -5.964 -14.871 -0.052 84 HB2 ASP 11 2HB ASP 11 -4.098 -16.962 -1.100 85 HB3 ASP 11 3HB ASP 11 -5.669 -17.150 -0.323 86 H GLU 12 HN GLU 12 -4.244 -12.984 0.564 87 HA GLU 12 HA GLU 12 -2.011 -14.313 1.950 88 HB2 GLU 12 2HB GLU 12 -2.339 -11.515 0.893 89 HB3 GLU 12 3HB GLU 12 -1.130 -11.896 2.113 90 HG2 GLU 12 2HG GLU 12 -1.162 -13.627 -0.273 91 HG3 GLU 12 3HG GLU 12 -0.655 -11.956 -0.521 92 H ASP 13 HN ASP 13 -4.679 -12.048 2.305 93 HA ASP 13 HA ASP 13 -5.933 -11.526 4.147 94 HB2 ASP 13 2HB ASP 13 -5.274 -13.913 4.868 95 HB3 ASP 13 3HB ASP 13 -4.062 -13.130 5.879 96 H CYS 14 HN CYS 14 -5.863 -9.607 5.115 97 HA CYS 14 HA CYS 14 -3.588 -8.015 5.198 98 HB2 CYS 14 2HB CYS 14 -6.027 -7.289 5.324 99 HB3 CYS 14 3HB CYS 14 -5.949 -7.664 7.043 100 H ILE 15 HN ILE 15 -2.636 -6.997 7.181 101 HA ILE 15 HA ILE 15 -2.249 -9.021 9.290 102 HB ILE 15 HB ILE 15 -0.028 -7.232 9.195 103 HG12 ILE 15 2HG1 ILE 15 -0.784 -6.987 6.792 104 HG13 ILE 15 3HG1 ILE 15 0.859 -7.580 7.009 105 HG21 ILE 15 1HG2 ILE 15 0.397 -9.272 10.151 106 HG22 ILE 15 2HG2 ILE 15 -0.526 -10.156 8.936 107 HG23 ILE 15 3HG2 ILE 15 1.073 -9.526 8.542 108 HD11 ILE 15 1HD1 ILE 15 0.091 -8.983 5.380 109 HD12 ILE 15 2HD1 ILE 15 -0.294 -9.920 6.824 110 HD13 ILE 15 3HD1 ILE 15 -1.556 -8.995 6.010 111 H ILE 16 HN ILE 16 -3.325 -5.930 8.574 112 HA ILE 16 HA ILE 16 -2.645 -4.760 11.144 113 HB ILE 16 HB ILE 16 -4.544 -3.533 9.171 114 HG12 ILE 16 2HG1 ILE 16 -1.847 -4.283 8.620 115 HG13 ILE 16 3HG1 ILE 16 -2.960 -3.375 7.602 116 HG21 ILE 16 1HG2 ILE 16 -3.488 -1.447 10.058 117 HG22 ILE 16 2HG2 ILE 16 -4.379 -2.386 11.255 118 HG23 ILE 16 3HG2 ILE 16 -2.618 -2.452 11.216 119 HD11 ILE 16 1HD1 ILE 16 -2.199 -1.309 8.467 120 HD12 ILE 16 2HD1 ILE 16 -1.295 -2.106 9.755 121 HD13 ILE 16 3HD1 ILE 16 -0.769 -2.264 8.079 122 H CYS 17 HN CYS 17 -5.730 -5.119 9.385 123 HA CYS 17 HA CYS 17 -7.180 -5.132 11.895 124 HB2 CYS 17 2HB CYS 17 -9.191 -5.160 10.479 125 HB3 CYS 17 3HB CYS 17 -8.088 -3.873 10.005 126 H MET 18 HN MET 18 -5.439 -7.411 10.529 127 HA MET 18 HA MET 18 -5.535 -9.691 10.278 128 HB2 MET 18 2HB MET 18 -7.180 -9.542 12.801 129 HB3 MET 18 3HB MET 18 -6.077 -10.820 12.306 130 HG2 MET 18 2HG MET 18 -4.784 -8.223 12.499 131 HG3 MET 18 3HG MET 18 -5.505 -8.753 14.017 132 HE1 MET 18 1HE MET 18 -4.710 -12.337 13.194 133 HE2 MET 18 2HE MET 18 -3.935 -12.078 14.756 134 HE3 MET 18 3HE MET 18 -5.499 -11.338 14.416 135 H GLU 19 HN GLU 19 -7.518 -8.483 8.733 136 HA GLU 19 HA GLU 19 -9.741 -10.401 8.998 137 HB2 GLU 19 2HB GLU 19 -9.807 -7.612 7.831 138 HB3 GLU 19 3HB GLU 19 -11.160 -8.736 7.849 139 HG2 GLU 19 2HG GLU 19 -10.228 -8.529 10.500 140 HG3 GLU 19 3HG GLU 19 -10.328 -6.893 9.853 141 H LYS 20 HN LYS 20 -10.683 -11.171 7.017 142 HA LYS 20 HA LYS 20 -8.863 -12.117 5.159 143 HB2 LYS 20 2HB LYS 20 -11.793 -11.991 5.379 144 HB3 LYS 20 3HB LYS 20 -11.198 -12.101 3.727 145 HG2 LYS 20 2HG LYS 20 -9.970 -13.967 5.640 146 HG3 LYS 20 3HG LYS 20 -11.684 -14.226 5.308 147 HD2 LYS 20 2HD LYS 20 -11.116 -15.258 3.423 148 HD3 LYS 20 3HD LYS 20 -10.466 -13.730 2.824 149 HE2 LYS 20 2HE LYS 20 -8.582 -14.989 2.661 150 HE3 LYS 20 3HE LYS 20 -8.407 -14.470 4.337 151 HZ1 LYS 20 1HZ LYS 20 -8.047 -16.771 4.340 152 HZ2 LYS 20 2HZ LYS 20 -9.364 -17.081 3.326 153 HZ3 LYS 20 3HZ LYS 20 -9.624 -16.587 4.923 154 H LEU 21 HN LEU 21 -7.758 -11.161 3.592 155 HA LEU 21 HA LEU 21 -7.878 -8.486 2.930 156 HB2 LEU 21 2HB LEU 21 -6.649 -10.890 1.792 157 HB3 LEU 21 3HB LEU 21 -6.931 -9.600 0.625 158 HG LEU 21 HG LEU 21 -5.189 -9.546 3.076 159 HD11 LEU 21 1HD1 LEU 21 -4.610 -8.943 0.181 160 HD12 LEU 21 2HD1 LEU 21 -4.260 -10.473 0.986 161 HD13 LEU 21 3HD1 LEU 21 -3.446 -8.996 1.505 162 HD21 LEU 21 1HD2 LEU 21 -4.860 -7.109 1.897 163 HD22 LEU 21 2HD2 LEU 21 -5.828 -7.415 3.339 164 HD23 LEU 21 3HD2 LEU 21 -6.601 -7.350 1.754 165 H SER 22 HN SER 22 -10.018 -10.969 2.025 166 HA SER 22 HA SER 22 -10.915 -9.833 -0.446 167 HB2 SER 22 2HB SER 22 -11.140 -12.259 0.151 168 HB3 SER 22 3HB SER 22 -12.369 -11.805 1.331 169 HG SER 22 HG SER 22 -12.576 -12.082 -1.362 170 H THR 23 HN THR 23 -12.220 -9.940 2.859 171 HA THR 23 HA THR 23 -14.585 -8.577 2.486 172 HB THR 23 HB THR 23 -14.333 -7.785 4.854 173 HG1 THR 23 1HG THR 23 -12.189 -9.265 5.486 174 HG21 THR 23 1HG2 THR 23 -15.309 -9.965 4.379 175 HG22 THR 23 2HG2 THR 23 -14.324 -10.045 5.840 176 HG23 THR 23 3HG2 THR 23 -13.704 -10.692 4.321 177 H ALA 24 HN ALA 24 -12.159 -6.794 4.277 178 HA ALA 24 HA ALA 24 -11.475 -4.827 2.451 179 HB1 ALA 24 1HB ALA 24 -14.191 -4.552 3.464 180 HB2 ALA 24 2HB ALA 24 -13.201 -3.117 3.733 181 HB3 ALA 24 3HB ALA 24 -13.402 -3.756 2.101 182 H SER 25 HN SER 25 -11.056 -2.613 3.706 183 HA SER 25 HA SER 25 -9.264 -3.287 5.817 184 HB2 SER 25 2HB SER 25 -8.699 -1.475 4.316 185 HB3 SER 25 3HB SER 25 -10.173 -0.606 4.745 186 HG SER 25 HG SER 25 -9.357 -0.268 6.790 187 H GLY 26 HN GLY 26 -9.952 -3.799 7.790 188 HA2 GLY 26 1HA GLY 26 -12.466 -3.073 8.854 189 HA3 GLY 26 2HA GLY 26 -11.126 -3.761 9.762 190 H TYR 27 HN TYR 27 -9.566 -1.308 8.616 191 HA TYR 27 HA TYR 27 -9.965 0.311 10.962 192 HB2 TYR 27 2HB TYR 27 -8.023 0.260 8.699 193 HB3 TYR 27 3HB TYR 27 -8.201 1.761 9.601 194 HD1 TYR 27 1HD TYR 27 -8.649 -1.488 11.232 195 HD2 TYR 27 2HD TYR 27 -5.924 1.680 10.434 196 HE1 TYR 27 1HE TYR 27 -7.140 -2.357 12.968 197 HE2 TYR 27 2HE TYR 27 -4.406 0.819 12.167 198 HH TYR 27 HH TYR 27 -4.645 -0.609 14.277 199 H SER 28 HN SER 28 -11.253 0.239 7.830 200 HA SER 28 HA SER 28 -11.609 2.835 7.060 201 HB2 SER 28 2HB SER 28 -12.435 0.964 5.732 202 HB3 SER 28 3HB SER 28 -13.654 0.604 6.954 203 HG SER 28 HG SER 28 -14.676 2.528 6.474 204 H ASP 29 HN ASP 29 -12.952 1.260 9.820 205 HA ASP 29 HA ASP 29 -15.181 2.887 10.313 206 HB2 ASP 29 2HB ASP 29 -13.698 0.860 11.711 207 HB3 ASP 29 3HB ASP 29 -14.061 2.188 12.811 208 H VAL 30 HN VAL 30 -11.778 3.275 11.173 209 HA VAL 30 HA VAL 30 -12.396 5.948 12.240 210 HB VAL 30 HB VAL 30 -9.675 5.111 12.715 211 HG11 VAL 30 1HG1 VAL 30 -10.026 6.122 14.704 212 HG12 VAL 30 2HG1 VAL 30 -11.456 6.754 13.884 213 HG13 VAL 30 3HG1 VAL 30 -11.593 5.349 14.942 214 HG21 VAL 30 1HG2 VAL 30 -10.553 2.851 12.618 215 HG22 VAL 30 2HG2 VAL 30 -10.157 3.278 14.283 216 HG23 VAL 30 3HG2 VAL 30 -11.838 3.279 13.748 217 H THR 31 HN THR 31 -9.795 4.270 10.463 218 HA THR 31 HA THR 31 -8.431 6.456 9.508 219 HB THR 31 HB THR 31 -7.689 5.044 7.622 220 HG1 THR 31 1HG THR 31 -8.577 2.911 7.488 221 HG21 THR 31 1HG2 THR 31 -6.755 3.189 8.978 222 HG22 THR 31 2HG2 THR 31 -7.835 3.646 10.295 223 HG23 THR 31 3HG2 THR 31 -6.581 4.762 9.754 224 H ASP 32 HN ASP 32 -10.644 4.609 7.415 225 HA ASP 32 HA ASP 32 -12.305 5.342 5.998 226 HB2 ASP 32 2HB ASP 32 -12.309 7.381 7.732 227 HB3 ASP 32 3HB ASP 32 -11.649 8.223 6.333 228 H SER 33 HN SER 33 -9.403 7.405 5.946 229 HA SER 33 HA SER 33 -8.288 8.315 4.133 230 HB2 SER 33 2HB SER 33 -6.988 6.373 4.429 231 HB3 SER 33 3HB SER 33 -8.253 5.322 3.794 232 HG SER 33 HG SER 33 -6.254 6.539 2.481 233 H LYS 34 HN LYS 34 -9.941 9.505 3.112 234 HA LYS 34 HA LYS 34 -11.724 8.369 1.215 235 HB2 LYS 34 2HB LYS 34 -10.868 11.175 1.865 236 HB3 LYS 34 3HB LYS 34 -11.906 10.850 0.483 237 HG2 LYS 34 2HG LYS 34 -13.705 10.538 1.762 238 HG3 LYS 34 3HG LYS 34 -12.815 9.573 2.942 239 HD2 LYS 34 2HD LYS 34 -12.490 11.330 4.298 240 HD3 LYS 34 3HD LYS 34 -12.094 12.407 2.957 241 HE2 LYS 34 2HE LYS 34 -14.193 12.934 4.316 242 HE3 LYS 34 3HE LYS 34 -14.341 12.923 2.560 243 HZ1 LYS 34 1HZ LYS 34 -16.091 11.706 3.990 244 HZ2 LYS 34 2HZ LYS 34 -14.929 10.481 4.093 245 HZ3 LYS 34 3HZ LYS 34 -15.519 10.963 2.582 246 H ALA 35 HN ALA 35 -8.467 8.664 1.070 247 HA ALA 35 HA ALA 35 -8.274 9.445 -1.723 248 HB1 ALA 35 1HB ALA 35 -6.411 9.119 0.514 249 HB2 ALA 35 2HB ALA 35 -5.779 8.591 -1.047 250 HB3 ALA 35 3HB ALA 35 -6.370 10.241 -0.846 251 H LEU 36 HN LEU 36 -7.610 6.568 0.261 252 HA LEU 36 HA LEU 36 -7.053 4.935 -2.040 253 HB2 LEU 36 2HB LEU 36 -7.519 4.184 0.842 254 HB3 LEU 36 3HB LEU 36 -6.943 3.092 -0.415 255 HG LEU 36 HG LEU 36 -5.485 5.475 0.722 256 HD11 LEU 36 1HD1 LEU 36 -3.954 3.154 0.896 257 HD12 LEU 36 2HD1 LEU 36 -5.577 2.675 1.389 258 HD13 LEU 36 3HD1 LEU 36 -4.761 4.003 2.215 259 HD21 LEU 36 1HD2 LEU 36 -3.607 4.502 -0.734 260 HD22 LEU 36 2HD2 LEU 36 -4.852 5.473 -1.522 261 HD23 LEU 36 3HD2 LEU 36 -4.904 3.713 -1.633 262 H GLY 37 HN GLY 37 -9.545 4.668 0.508 263 HA2 GLY 37 1HA GLY 37 -11.904 4.659 -0.298 264 HA3 GLY 37 2HA GLY 37 -11.351 3.563 -1.555 265 H SER 38 HN SER 38 -9.541 2.329 0.594 266 HA SER 38 HA SER 38 -9.636 0.699 2.203 267 HB2 SER 38 2HB SER 38 -11.365 0.646 3.702 268 HB3 SER 38 3HB SER 38 -11.722 2.203 2.954 269 HG SER 38 HG SER 38 -12.920 -0.307 2.425 270 H LEU 39 HN LEU 39 -10.248 0.460 -0.758 271 HA LEU 39 HA LEU 39 -10.976 -2.361 -0.665 272 HB2 LEU 39 2HB LEU 39 -12.862 -0.487 -1.364 273 HB3 LEU 39 3HB LEU 39 -12.218 -0.995 -2.923 274 HG LEU 39 HG LEU 39 -14.187 -2.280 -2.395 275 HD11 LEU 39 1HD1 LEU 39 -13.341 -4.453 -2.757 276 HD12 LEU 39 2HD1 LEU 39 -11.824 -4.081 -1.941 277 HD13 LEU 39 3HD1 LEU 39 -12.184 -3.350 -3.505 278 HD21 LEU 39 1HD2 LEU 39 -14.546 -2.373 -0.154 279 HD22 LEU 39 2HD2 LEU 39 -12.835 -2.572 0.228 280 HD23 LEU 39 3HD2 LEU 39 -13.773 -3.946 -0.362 281 H ALA 40 HN ALA 40 -8.538 -0.784 -1.166 282 HA ALA 40 HA ALA 40 -7.972 -1.729 -3.900 283 HB1 ALA 40 1HB ALA 40 -7.206 0.806 -2.531 284 HB2 ALA 40 2HB ALA 40 -6.117 0.114 -3.733 285 HB3 ALA 40 3HB ALA 40 -7.768 0.541 -4.182 286 H VAL 41 HN VAL 41 -6.971 -3.633 -3.548 287 HA VAL 41 HA VAL 41 -4.912 -3.812 -1.475 288 HB VAL 41 HB VAL 41 -6.010 -6.019 -3.222 289 HG11 VAL 41 1HG1 VAL 41 -3.795 -5.888 -1.442 290 HG12 VAL 41 2HG1 VAL 41 -5.024 -6.934 -0.728 291 HG13 VAL 41 3HG1 VAL 41 -4.404 -7.275 -2.344 292 HG21 VAL 41 1HG2 VAL 41 -7.875 -5.457 -2.002 293 HG22 VAL 41 2HG2 VAL 41 -7.104 -6.613 -0.915 294 HG23 VAL 41 3HG2 VAL 41 -6.936 -4.881 -0.624 295 H GLY 42 HN GLY 42 -2.779 -4.100 -1.897 296 HA2 GLY 42 1HA GLY 42 -1.822 -4.843 -4.509 297 HA3 GLY 42 2HA GLY 42 -1.567 -3.144 -4.140 298 H HIS 43 HN HIS 43 -0.169 -6.123 -4.052 299 HA HIS 43 HA HIS 43 1.197 -6.164 -1.601 300 HB2 HIS 43 2HB HIS 43 2.587 -7.832 -2.554 301 HB3 HIS 43 3HB HIS 43 1.012 -8.039 -3.312 302 HD1 HIS 43 1HD HIS 43 4.004 -8.749 -4.429 303 HD2 HIS 43 2HD HIS 43 1.442 -5.722 -5.668 304 HE1 HIS 43 1HE HIS 43 4.711 -8.188 -6.776 305 H LEU 44 HN LEU 44 3.064 -5.258 -0.894 306 HA LEU 44 HA LEU 44 3.994 -2.903 -2.197 307 HB2 LEU 44 2HB LEU 44 4.236 -4.124 0.363 308 HB3 LEU 44 3HB LEU 44 5.853 -3.743 -0.228 309 HG LEU 44 HG LEU 44 4.055 -1.510 -0.594 310 HD11 LEU 44 1HD1 LEU 44 4.111 -1.082 1.987 311 HD12 LEU 44 2HD1 LEU 44 4.123 -2.843 2.070 312 HD13 LEU 44 3HD1 LEU 44 2.799 -2.008 1.260 313 HD21 LEU 44 1HD2 LEU 44 5.832 -0.332 0.575 314 HD22 LEU 44 2HD2 LEU 44 6.504 -1.406 -0.653 315 HD23 LEU 44 3HD2 LEU 44 6.560 -1.868 1.050 316 H THR 45 HN THR 45 5.054 -3.147 -4.077 317 HA THR 45 HA THR 45 6.517 -5.199 -5.059 318 HB THR 45 HB THR 45 7.687 -3.666 -6.494 319 HG1 THR 45 1HG THR 45 6.800 -1.368 -5.208 320 HG21 THR 45 1HG2 THR 45 5.167 -2.142 -6.061 321 HG22 THR 45 2HG2 THR 45 5.045 -3.856 -6.458 322 HG23 THR 45 3HG2 THR 45 5.874 -2.753 -7.556 323 H LYS 46 HN LYS 46 7.496 -2.976 -2.563 324 HA LYS 46 HA LYS 46 10.247 -3.279 -2.570 325 HB2 LYS 46 2HB LYS 46 8.207 -2.615 -0.532 326 HB3 LYS 46 3HB LYS 46 9.764 -3.150 0.085 327 HG2 LYS 46 2HG LYS 46 10.255 -1.259 -1.965 328 HG3 LYS 46 3HG LYS 46 9.021 -0.593 -0.893 329 HD2 LYS 46 2HD LYS 46 11.357 -0.042 -0.220 330 HD3 LYS 46 3HD LYS 46 10.436 -0.895 1.021 331 HE2 LYS 46 2HE LYS 46 11.914 -2.555 1.055 332 HE3 LYS 46 3HE LYS 46 11.783 -2.772 -0.690 333 HZ1 LYS 46 1HZ LYS 46 13.495 -0.730 0.618 334 HZ2 LYS 46 2HZ LYS 46 13.437 -1.096 -1.033 335 HZ3 LYS 46 3HZ LYS 46 14.051 -2.229 0.063 336 H CYS 47 HN CYS 47 8.106 -5.031 -0.320 337 HA CYS 47 HA CYS 47 10.076 -7.191 -0.216 338 HB2 CYS 47 2HB CYS 47 8.800 -7.970 1.751 339 HB3 CYS 47 3HB CYS 47 9.334 -6.302 1.929 340 H SER 48 HN SER 48 6.702 -6.576 -1.017 341 HA SER 48 HA SER 48 5.356 -7.706 -2.506 342 HB2 SER 48 2HB SER 48 7.756 -8.687 -3.255 343 HB3 SER 48 3HB SER 48 7.025 -10.156 -2.608 344 HG SER 48 HG SER 48 6.516 -8.869 -4.930 345 H HIS 49 HN HIS 49 4.331 -7.694 -0.257 346 HA HIS 49 HA HIS 49 3.941 -10.464 0.670 347 HB2 HIS 49 2HB HIS 49 3.704 -7.855 2.176 348 HB3 HIS 49 3HB HIS 49 3.172 -9.405 2.821 349 HD2 HIS 49 2HD HIS 49 6.485 -9.700 0.938 350 HE1 HIS 49 1HE HIS 49 7.425 -9.389 5.064 351 HE2 HIS 49 2HE HIS 49 8.327 -9.815 2.751 352 H ALA 50 HN ALA 50 1.866 -7.976 1.817 353 HA ALA 50 HA ALA 50 -0.126 -7.641 0.051 354 HB1 ALA 50 1HB ALA 50 -0.551 -9.807 -0.551 355 HB2 ALA 50 2HB ALA 50 -0.154 -10.445 1.045 356 HB3 ALA 50 3HB ALA 50 -1.693 -9.625 0.781 357 H PHE 51 HN PHE 51 -1.615 -6.367 0.972 358 HA PHE 51 HA PHE 51 -2.714 -6.790 3.549 359 HB2 PHE 51 2HB PHE 51 -1.451 -4.243 3.887 360 HB3 PHE 51 3HB PHE 51 -1.313 -5.681 4.893 361 HD1 PHE 51 1HD PHE 51 0.654 -6.951 4.924 362 HD2 PHE 51 2HD PHE 51 0.094 -3.988 1.919 363 HE1 PHE 51 1HE PHE 51 3.003 -7.207 4.237 364 HE2 PHE 51 2HE PHE 51 2.441 -4.240 1.227 365 HZ PHE 51 HZ PHE 51 3.899 -5.852 2.385 366 H HIS 52 HN HIS 52 -3.593 -4.357 4.276 367 HA HIS 52 HA HIS 52 -5.227 -3.572 1.976 368 HB2 HIS 52 2HB HIS 52 -5.581 -3.280 4.952 369 HB3 HIS 52 3HB HIS 52 -6.574 -2.378 3.812 370 HD2 HIS 52 2HD HIS 52 -7.217 -4.807 1.701 371 HE1 HIS 52 1HE HIS 52 -8.734 -6.804 5.124 372 HE2 HIS 52 2HE HIS 52 -8.633 -6.773 2.607 373 H LEU 53 HN LEU 53 -4.175 -2.037 0.842 374 HA LEU 53 HA LEU 53 -2.312 -0.235 1.490 375 HB2 LEU 53 2HB LEU 53 -4.748 0.228 -0.215 376 HB3 LEU 53 3HB LEU 53 -3.395 1.356 -0.136 377 HG LEU 53 HG LEU 53 -3.091 -1.512 -1.002 378 HD11 LEU 53 1HD1 LEU 53 -4.526 0.420 -2.370 379 HD12 LEU 53 2HD1 LEU 53 -3.824 -1.049 -3.049 380 HD13 LEU 53 3HD1 LEU 53 -2.924 0.466 -3.108 381 HD21 LEU 53 1HD2 LEU 53 -1.086 -0.261 -0.199 382 HD22 LEU 53 2HD2 LEU 53 -1.349 0.895 -1.506 383 HD23 LEU 53 3HD2 LEU 53 -0.987 -0.791 -1.878 384 H LEU 54 HN LEU 54 -5.679 -0.050 2.429 385 HA LEU 54 HA LEU 54 -5.624 2.621 3.389 386 HB2 LEU 54 2HB LEU 54 -7.725 1.628 2.876 387 HB3 LEU 54 3HB LEU 54 -7.425 0.282 3.973 388 HG LEU 54 HG LEU 54 -8.031 1.473 5.824 389 HD11 LEU 54 1HD1 LEU 54 -6.589 3.238 5.989 390 HD12 LEU 54 2HD1 LEU 54 -8.088 4.096 5.637 391 HD13 LEU 54 3HD1 LEU 54 -6.917 3.804 4.352 392 HD21 LEU 54 1HD2 LEU 54 -10.111 1.544 4.974 393 HD22 LEU 54 2HD2 LEU 54 -9.577 2.258 3.452 394 HD23 LEU 54 3HD2 LEU 54 -9.809 3.279 4.873 395 H CYS 55 HN CYS 55 -5.726 -0.452 5.207 396 HA CYS 55 HA CYS 55 -5.255 0.560 7.728 397 HB2 CYS 55 2HB CYS 55 -4.160 -2.060 6.692 398 HB3 CYS 55 3HB CYS 55 -4.539 -1.656 8.363 399 H LEU 56 HN LEU 56 -3.001 0.025 5.120 400 HA LEU 56 HA LEU 56 -0.634 0.265 6.699 401 HB2 LEU 56 2HB LEU 56 -0.864 0.814 3.753 402 HB3 LEU 56 3HB LEU 56 0.554 0.279 4.652 403 HG LEU 56 HG LEU 56 -1.806 -1.301 3.718 404 HD11 LEU 56 1HD1 LEU 56 0.955 -1.069 3.059 405 HD12 LEU 56 2HD1 LEU 56 -0.287 -2.066 2.301 406 HD13 LEU 56 3HD1 LEU 56 0.645 -2.699 3.657 407 HD21 LEU 56 1HD2 LEU 56 -1.937 -2.201 5.782 408 HD22 LEU 56 2HD2 LEU 56 -0.322 -1.660 6.241 409 HD23 LEU 56 3HD2 LEU 56 -0.519 -3.103 5.245 410 H LEU 57 HN LEU 57 -2.157 2.471 4.342 411 HA LEU 57 HA LEU 57 -0.563 4.669 4.634 412 HB2 LEU 57 2HB LEU 57 -3.008 4.127 3.462 413 HB3 LEU 57 3HB LEU 57 -3.370 5.419 4.603 414 HG LEU 57 HG LEU 57 -1.715 5.470 2.130 415 HD11 LEU 57 1HD1 LEU 57 -3.643 6.530 1.642 416 HD12 LEU 57 2HD1 LEU 57 -2.838 7.898 2.410 417 HD13 LEU 57 3HD1 LEU 57 -3.983 6.921 3.329 418 HD21 LEU 57 1HD2 LEU 57 -0.025 6.236 3.514 419 HD22 LEU 57 2HD2 LEU 57 -1.149 7.000 4.638 420 HD23 LEU 57 3HD2 LEU 57 -0.848 7.729 3.060 421 H ALA 58 HN ALA 58 -2.650 3.300 6.982 422 HA ALA 58 HA ALA 58 -2.899 5.684 8.588 423 HB1 ALA 58 1HB ALA 58 -4.481 3.591 8.426 424 HB2 ALA 58 2HB ALA 58 -3.425 2.971 9.696 425 HB3 ALA 58 3HB ALA 58 -4.303 4.481 9.938 426 H MET 59 HN MET 59 -1.439 2.494 9.261 427 HA MET 59 HA MET 59 0.134 3.512 11.411 428 HB2 MET 59 2HB MET 59 1.281 1.220 11.170 429 HB3 MET 59 3HB MET 59 -0.419 1.247 11.619 430 HG2 MET 59 2HG MET 59 -1.063 0.220 9.740 431 HG3 MET 59 3HG MET 59 0.067 1.126 8.737 432 HE1 MET 59 1HE MET 59 3.069 0.299 9.218 433 HE2 MET 59 2HE MET 59 2.910 -1.059 8.104 434 HE3 MET 59 3HE MET 59 1.998 0.425 7.823 435 H TYR 60 HN TYR 60 0.467 3.745 8.101 436 HA TYR 60 HA TYR 60 3.229 3.387 7.719 437 HB2 TYR 60 2HB TYR 60 2.466 3.665 5.632 438 HB3 TYR 60 3HB TYR 60 0.990 4.430 6.210 439 HD1 TYR 60 1HD TYR 60 3.994 4.912 4.408 440 HD2 TYR 60 2HD TYR 60 1.209 6.936 6.908 441 HE1 TYR 60 1HE TYR 60 4.773 7.069 3.519 442 HE2 TYR 60 2HE TYR 60 1.980 9.098 6.025 443 HH TYR 60 HH TYR 60 3.104 9.925 3.902 444 H CYS 61 HN CYS 61 1.476 5.824 9.343 445 HA CYS 61 HA CYS 61 3.142 8.049 8.987 446 HB2 CYS 61 2HB CYS 61 1.606 9.003 10.301 447 HB3 CYS 61 3HB CYS 61 0.858 7.423 10.503 448 HG CYS 61 HG CYS 61 1.674 6.929 12.947 449 H ASN 62 HN ASN 62 3.834 5.104 10.408 450 HA ASN 62 HA ASN 62 5.739 6.164 12.341 451 HB2 ASN 62 2HB ASN 62 5.199 4.275 13.411 452 HB3 ASN 62 3HB ASN 62 4.300 3.694 12.014 453 HD21 ASN 62 1HD2 ASN 62 4.918 1.708 11.583 454 HD22 ASN 62 2HD2 ASN 62 6.547 1.134 11.540 455 H GLY 63 HN GLY 63 5.783 4.022 9.490 456 HA2 GLY 63 1HA GLY 63 8.519 4.966 8.950 457 HA3 GLY 63 2HA GLY 63 8.184 3.240 8.972 458 H ASN 64 HN ASN 64 9.159 3.636 6.738 459 HA ASN 64 HA ASN 64 8.941 3.794 4.473 460 HB2 ASN 64 2HB ASN 64 6.680 2.335 5.520 461 HB3 ASN 64 3HB ASN 64 6.227 3.193 4.050 462 HD21 ASN 64 1HD2 ASN 64 6.005 1.258 2.923 463 HD22 ASN 64 2HD2 ASN 64 7.374 0.341 2.404 464 H LYS 65 HN LYS 65 8.504 6.231 5.930 465 HA LYS 65 HA LYS 65 6.285 7.605 4.712 466 HB2 LYS 65 2HB LYS 65 8.096 8.078 6.875 467 HB3 LYS 65 3HB LYS 65 8.151 9.457 5.785 468 HG2 LYS 65 2HG LYS 65 6.187 10.196 6.499 469 HG3 LYS 65 3HG LYS 65 5.432 8.619 6.259 470 HD2 LYS 65 2HD LYS 65 5.604 8.077 8.432 471 HD3 LYS 65 3HD LYS 65 7.230 8.750 8.568 472 HE2 LYS 65 2HE LYS 65 4.690 10.376 8.513 473 HE3 LYS 65 3HE LYS 65 5.557 9.916 9.978 474 HZ1 LYS 65 1HZ LYS 65 6.220 11.923 7.981 475 HZ2 LYS 65 2HZ LYS 65 7.521 11.039 8.602 476 HZ3 LYS 65 3HZ LYS 65 6.518 11.913 9.646 477 H ASP 66 HN ASP 66 6.442 7.834 2.551 478 HA ASP 66 HA ASP 66 8.428 9.636 1.518 479 HB2 ASP 66 2HB ASP 66 9.010 6.894 1.388 480 HB3 ASP 66 3HB ASP 66 8.470 7.334 -0.230 481 H GLY 67 HN GLY 67 5.911 7.271 0.682 482 HA2 GLY 67 1HA GLY 67 4.065 9.009 -0.355 483 HA3 GLY 67 2HA GLY 67 5.139 8.666 -1.703 484 H SER 68 HN SER 68 3.109 7.092 0.743 485 HA SER 68 HA SER 68 1.543 5.568 -0.826 486 HB2 SER 68 2HB SER 68 3.166 4.405 -1.999 487 HB3 SER 68 3HB SER 68 4.275 4.361 -0.628 488 HG SER 68 HG SER 68 3.018 2.360 -1.302 489 H LEU 69 HN LEU 69 3.530 3.615 1.248 490 HA LEU 69 HA LEU 69 2.277 4.160 3.711 491 HB2 LEU 69 2HB LEU 69 0.923 2.079 3.882 492 HB3 LEU 69 3HB LEU 69 0.281 3.282 2.764 493 HG LEU 69 HG LEU 69 0.362 0.694 2.181 494 HD11 LEU 69 1HD1 LEU 69 -0.658 1.747 0.497 495 HD12 LEU 69 2HD1 LEU 69 0.921 1.751 -0.285 496 HD13 LEU 69 3HD1 LEU 69 0.386 3.161 0.628 497 HD21 LEU 69 1HD2 LEU 69 3.037 1.739 1.261 498 HD22 LEU 69 2HD2 LEU 69 2.298 0.231 0.721 499 HD23 LEU 69 3HD2 LEU 69 2.751 0.434 2.414 500 H GLN 70 HN GLN 70 2.395 1.856 5.060 501 HA GLN 70 HA GLN 70 5.118 0.851 4.553 502 HB2 GLN 70 2HB GLN 70 4.962 2.320 6.545 503 HB3 GLN 70 3HB GLN 70 3.772 1.224 7.235 504 HG2 GLN 70 2HG GLN 70 5.423 -0.558 7.296 505 HG3 GLN 70 3HG GLN 70 6.617 0.509 6.560 506 HE21 GLN 70 1HE2 GLN 70 7.727 -0.254 8.592 507 HE22 GLN 70 2HE2 GLN 70 7.531 0.727 10.000 508 H CYS 71 HN CYS 71 5.561 -1.327 5.293 509 HA CYS 71 HA CYS 71 3.270 -3.067 4.841 510 HB2 CYS 71 2HB CYS 71 5.237 -3.585 3.556 511 HB3 CYS 71 3HB CYS 71 6.238 -3.610 5.004 512 HA PRO 72 HA PRO 72 2.881 -3.592 9.264 513 HB2 PRO 72 2HB PRO 72 0.704 -5.210 9.134 514 HB3 PRO 72 3HB PRO 72 0.611 -3.456 8.935 515 HG2 PRO 72 2HG PRO 72 0.653 -5.599 6.846 516 HG3 PRO 72 3HG PRO 72 -0.354 -4.143 6.934 517 HD2 PRO 72 2HD PRO 72 1.846 -4.300 5.363 518 HD3 PRO 72 3HD PRO 72 1.321 -2.783 6.121 519 H SER 73 HN SER 73 3.496 -5.940 6.840 520 HA SER 73 HA SER 73 3.607 -8.216 8.590 521 HB2 SER 73 2HB SER 73 3.144 -8.300 6.095 522 HB3 SER 73 3HB SER 73 4.860 -7.976 5.850 523 HG SER 73 HG SER 73 5.364 -9.914 6.696 524 H CYS 74 HN CYS 74 6.197 -6.842 6.568 525 HA CYS 74 HA CYS 74 8.081 -7.419 8.757 526 HB2 CYS 74 2HB CYS 74 9.813 -7.639 7.080 527 HB3 CYS 74 3HB CYS 74 8.454 -8.668 6.638 528 H LYS 75 HN LYS 75 6.565 -5.054 8.793 529 HA LYS 75 HA LYS 75 6.703 -2.762 8.778 530 HB2 LYS 75 2HB LYS 75 9.230 -3.818 9.962 531 HB3 LYS 75 3HB LYS 75 9.098 -2.084 9.698 532 HG2 LYS 75 2HG LYS 75 8.204 -2.077 11.749 533 HG3 LYS 75 3HG LYS 75 6.735 -2.593 10.917 534 HD2 LYS 75 2HD LYS 75 7.025 -4.822 11.533 535 HD3 LYS 75 3HD LYS 75 8.743 -4.603 11.874 536 HE2 LYS 75 2HE LYS 75 7.762 -2.912 13.678 537 HE3 LYS 75 3HE LYS 75 6.369 -3.984 13.546 538 HZ1 LYS 75 1HZ LYS 75 7.529 -5.749 14.390 539 HZ2 LYS 75 2HZ LYS 75 8.251 -4.482 15.248 540 HZ3 LYS 75 3HZ LYS 75 9.038 -5.154 13.908 541 H THR 76 HN THR 76 7.558 -4.134 6.260 542 HA THR 76 HA THR 76 9.745 -2.718 5.143 543 HB THR 76 HB THR 76 7.754 -4.635 4.195 544 HG1 THR 76 1HG THR 76 10.105 -4.369 2.810 545 HG21 THR 76 1HG2 THR 76 7.115 -2.763 2.747 546 HG22 THR 76 2HG2 THR 76 7.919 -4.036 1.827 547 HG23 THR 76 3HG2 THR 76 8.797 -2.568 2.254 Start of MODEL 12 1 H1 ASN 1 HN ASN 1 5.713 5.526 -5.233 2 HA ASN 1 HA ASN 1 3.672 4.395 -4.283 3 HB2 ASN 1 2HB ASN 1 3.369 3.744 -7.222 4 HB3 ASN 1 3HB ASN 1 2.437 2.988 -5.932 5 HD21 ASN 1 1HD2 ASN 1 2.176 5.147 -8.266 6 HD22 ASN 1 2HD2 ASN 1 1.060 6.264 -7.563 7 H TYR 2 HN TYR 2 3.895 2.279 -3.570 8 HA TYR 2 HA TYR 2 6.279 0.874 -4.583 9 HB2 TYR 2 2HB TYR 2 5.304 0.174 -1.891 10 HB3 TYR 2 3HB TYR 2 6.948 0.438 -2.461 11 HD1 TYR 2 1HD TYR 2 6.737 3.209 -3.496 12 HD2 TYR 2 2HD TYR 2 5.180 1.460 0.057 13 HE1 TYR 2 1HE TYR 2 6.765 5.413 -2.405 14 HE2 TYR 2 2HE TYR 2 5.203 3.659 1.156 15 HH TYR 2 HH TYR 2 5.827 6.584 -0.596 16 H THR 3 HN THR 3 2.908 0.674 -3.948 17 HA THR 3 HA THR 3 2.943 -2.214 -4.536 18 HB THR 3 HB THR 3 1.586 -2.490 -2.793 19 HG1 THR 3 1HG THR 3 -0.209 -0.595 -3.932 20 HG21 THR 3 1HG2 THR 3 0.935 -0.654 -1.336 21 HG22 THR 3 2HG2 THR 3 1.345 0.514 -2.591 22 HG23 THR 3 3HG2 THR 3 2.611 -0.460 -1.845 23 H GLU 4 HN GLU 4 1.210 -3.037 -5.877 24 HA GLU 4 HA GLU 4 0.135 -1.016 -7.733 25 HB2 GLU 4 2HB GLU 4 1.493 -2.007 -9.238 26 HB3 GLU 4 3HB GLU 4 1.704 -3.443 -8.246 27 HG2 GLU 4 2HG GLU 4 -0.223 -4.455 -9.091 28 HG3 GLU 4 3HG GLU 4 -0.836 -2.939 -9.750 29 H GLU 5 HN GLU 5 -1.998 -0.905 -7.585 30 HA GLU 5 HA GLU 5 -3.741 -2.361 -6.171 31 HB2 GLU 5 2HB GLU 5 -4.250 -0.343 -7.606 32 HB3 GLU 5 3HB GLU 5 -4.416 -1.444 -8.965 33 HG2 GLU 5 2HG GLU 5 -6.011 -2.462 -6.873 34 HG3 GLU 5 3HG GLU 5 -6.333 -0.733 -6.988 35 H LEU 6 HN LEU 6 -5.014 -4.191 -6.382 36 HA LEU 6 HA LEU 6 -4.134 -6.088 -8.457 37 HB2 LEU 6 2HB LEU 6 -5.063 -6.534 -5.633 38 HB3 LEU 6 3HB LEU 6 -4.944 -7.836 -6.814 39 HG LEU 6 HG LEU 6 -2.770 -6.306 -5.450 40 HD11 LEU 6 1HD1 LEU 6 -2.007 -8.912 -5.805 41 HD12 LEU 6 2HD1 LEU 6 -3.753 -9.047 -5.604 42 HD13 LEU 6 3HD1 LEU 6 -2.781 -8.256 -4.363 43 HD21 LEU 6 1HD2 LEU 6 -2.687 -7.484 -8.197 44 HD22 LEU 6 2HD2 LEU 6 -1.253 -7.516 -7.170 45 HD23 LEU 6 3HD2 LEU 6 -1.994 -5.975 -7.604 46 H LYS 7 HN LYS 7 -5.593 -6.468 -9.973 47 HA LYS 7 HA LYS 7 -8.132 -5.539 -10.175 48 HB2 LYS 7 2HB LYS 7 -6.843 -8.014 -11.275 49 HB3 LYS 7 3HB LYS 7 -8.543 -7.692 -11.597 50 HG2 LYS 7 2HG LYS 7 -7.045 -6.917 -13.394 51 HG3 LYS 7 3HG LYS 7 -8.000 -5.616 -12.679 52 HD2 LYS 7 2HD LYS 7 -6.095 -4.915 -11.347 53 HD3 LYS 7 3HD LYS 7 -5.138 -6.262 -11.968 54 HE2 LYS 7 2HE LYS 7 -6.232 -4.780 -14.158 55 HE3 LYS 7 3HE LYS 7 -5.418 -3.672 -13.054 56 HZ1 LYS 7 1HZ LYS 7 -3.693 -5.758 -13.241 57 HZ2 LYS 7 2HZ LYS 7 -3.567 -4.301 -14.092 58 HZ3 LYS 7 3HZ LYS 7 -4.302 -5.642 -14.817 59 H VAL 8 HN VAL 8 -7.053 -8.126 -8.169 60 HA VAL 8 HA VAL 8 -9.712 -8.358 -7.019 61 HB VAL 8 HB VAL 8 -8.861 -11.027 -7.144 62 HG11 VAL 8 1HG1 VAL 8 -10.882 -10.870 -8.965 63 HG12 VAL 8 2HG1 VAL 8 -11.101 -10.932 -7.215 64 HG13 VAL 8 3HG1 VAL 8 -11.107 -9.379 -8.052 65 HG21 VAL 8 1HG2 VAL 8 -8.778 -9.763 -9.882 66 HG22 VAL 8 2HG2 VAL 8 -7.375 -10.367 -9.001 67 HG23 VAL 8 3HG2 VAL 8 -8.641 -11.482 -9.514 68 HA PRO 9 HA PRO 9 -7.405 -8.679 -3.292 69 HB2 PRO 9 2HB PRO 9 -9.221 -9.945 -1.719 70 HB3 PRO 9 3HB PRO 9 -9.379 -8.250 -2.197 71 HG2 PRO 9 2HG PRO 9 -10.699 -10.675 -3.353 72 HG3 PRO 9 3HG PRO 9 -11.398 -9.086 -2.992 73 HD2 PRO 9 2HD PRO 9 -10.667 -9.822 -5.494 74 HD3 PRO 9 3HD PRO 9 -10.569 -8.143 -4.925 75 HA PRO 10 HA PRO 10 -5.565 -12.730 -3.654 76 HB2 PRO 10 2HB PRO 10 -3.615 -12.319 -1.810 77 HB3 PRO 10 3HB PRO 10 -3.542 -11.660 -3.448 78 HG2 PRO 10 2HG PRO 10 -4.363 -10.318 -0.901 79 HG3 PRO 10 3HG PRO 10 -3.343 -9.700 -2.212 80 HD2 PRO 10 2HD PRO 10 -5.951 -9.021 -1.953 81 HD3 PRO 10 3HD PRO 10 -5.151 -9.154 -3.532 82 H ASP 11 HN ASP 11 -4.392 -14.037 -1.572 83 HA ASP 11 HA ASP 11 -6.539 -14.316 0.425 84 HB2 ASP 11 2HB ASP 11 -5.148 -16.429 -1.194 85 HB3 ASP 11 3HB ASP 11 -5.814 -16.818 0.390 86 H GLU 12 HN GLU 12 -4.489 -12.706 1.036 87 HA GLU 12 HA GLU 12 -2.586 -14.316 2.588 88 HB2 GLU 12 2HB GLU 12 -2.125 -12.181 0.949 89 HB3 GLU 12 3HB GLU 12 -2.223 -11.395 2.518 90 HG2 GLU 12 2HG GLU 12 -0.002 -11.854 2.456 91 HG3 GLU 12 3HG GLU 12 -0.586 -13.333 3.216 92 H ASP 13 HN ASP 13 -5.185 -12.027 2.864 93 HA ASP 13 HA ASP 13 -6.471 -11.458 4.667 94 HB2 ASP 13 2HB ASP 13 -6.615 -13.026 6.256 95 HB3 ASP 13 3HB ASP 13 -5.230 -13.822 5.514 96 H CYS 14 HN CYS 14 -6.429 -9.512 5.582 97 HA CYS 14 HA CYS 14 -4.203 -7.882 5.667 98 HB2 CYS 14 2HB CYS 14 -6.512 -7.043 5.771 99 HB3 CYS 14 3HB CYS 14 -6.678 -7.694 7.398 100 H ILE 15 HN ILE 15 -2.763 -7.231 7.244 101 HA ILE 15 HA ILE 15 -2.459 -9.105 9.482 102 HB ILE 15 HB ILE 15 -0.253 -7.275 9.205 103 HG12 ILE 15 2HG1 ILE 15 -1.084 -8.799 6.730 104 HG13 ILE 15 3HG1 ILE 15 -0.858 -7.059 6.882 105 HG21 ILE 15 1HG2 ILE 15 -0.092 -10.171 8.533 106 HG22 ILE 15 2HG2 ILE 15 1.002 -9.172 9.488 107 HG23 ILE 15 3HG2 ILE 15 -0.534 -9.701 10.173 108 HD11 ILE 15 1HD1 ILE 15 0.969 -8.425 5.732 109 HD12 ILE 15 2HD1 ILE 15 1.459 -7.249 6.952 110 HD13 ILE 15 3HD1 ILE 15 1.400 -8.965 7.354 111 H ILE 16 HN ILE 16 -3.289 -5.868 8.758 112 HA ILE 16 HA ILE 16 -2.543 -4.743 11.294 113 HB ILE 16 HB ILE 16 -4.547 -3.575 9.374 114 HG12 ILE 16 2HG1 ILE 16 -1.886 -4.250 8.763 115 HG13 ILE 16 3HG1 ILE 16 -2.962 -3.210 7.837 116 HG21 ILE 16 1HG2 ILE 16 -3.523 -1.443 10.276 117 HG22 ILE 16 2HG2 ILE 16 -4.496 -2.380 11.408 118 HG23 ILE 16 3HG2 ILE 16 -2.735 -2.449 11.493 119 HD11 ILE 16 1HD1 ILE 16 -0.695 -2.272 8.455 120 HD12 ILE 16 2HD1 ILE 16 -2.098 -1.266 8.817 121 HD13 ILE 16 3HD1 ILE 16 -1.304 -2.170 10.107 122 H CYS 17 HN CYS 17 -5.774 -4.960 9.804 123 HA CYS 17 HA CYS 17 -7.033 -4.962 12.392 124 HB2 CYS 17 2HB CYS 17 -9.138 -5.073 11.117 125 HB3 CYS 17 3HB CYS 17 -8.085 -3.794 10.524 126 H MET 18 HN MET 18 -5.512 -7.315 10.693 127 HA MET 18 HA MET 18 -5.506 -9.588 10.729 128 HB2 MET 18 2HB MET 18 -7.194 -9.333 13.217 129 HB3 MET 18 3HB MET 18 -6.121 -10.657 12.782 130 HG2 MET 18 2HG MET 18 -4.212 -9.065 12.937 131 HG3 MET 18 3HG MET 18 -5.338 -7.860 13.556 132 HE1 MET 18 1HE MET 18 -3.183 -11.083 15.767 133 HE2 MET 18 2HE MET 18 -3.166 -10.739 14.037 134 HE3 MET 18 3HE MET 18 -2.540 -9.549 15.180 135 H GLU 19 HN GLU 19 -7.486 -8.418 9.124 136 HA GLU 19 HA GLU 19 -9.700 -10.344 9.403 137 HB2 GLU 19 2HB GLU 19 -9.754 -7.625 8.081 138 HB3 GLU 19 3HB GLU 19 -11.107 -8.743 8.187 139 HG2 GLU 19 2HG GLU 19 -9.788 -7.884 10.705 140 HG3 GLU 19 3HG GLU 19 -10.834 -6.738 9.866 141 H LYS 20 HN LYS 20 -10.799 -10.730 7.197 142 HA LYS 20 HA LYS 20 -8.912 -11.965 5.496 143 HB2 LYS 20 2HB LYS 20 -11.860 -11.414 5.263 144 HB3 LYS 20 3HB LYS 20 -10.967 -12.168 3.949 145 HG2 LYS 20 2HG LYS 20 -12.169 -13.722 5.531 146 HG3 LYS 20 3HG LYS 20 -10.462 -14.068 5.242 147 HD2 LYS 20 2HD LYS 20 -9.864 -12.999 7.337 148 HD3 LYS 20 3HD LYS 20 -11.549 -12.554 7.617 149 HE2 LYS 20 2HE LYS 20 -12.034 -14.567 8.446 150 HE3 LYS 20 3HE LYS 20 -11.245 -15.391 7.102 151 HZ1 LYS 20 1HZ LYS 20 -9.103 -14.983 8.228 152 HZ2 LYS 20 2HZ LYS 20 -10.143 -15.969 9.127 153 HZ3 LYS 20 3HZ LYS 20 -9.939 -14.344 9.553 154 H LEU 21 HN LEU 21 -8.054 -11.374 3.555 155 HA LEU 21 HA LEU 21 -7.881 -8.592 2.976 156 HB2 LEU 21 2HB LEU 21 -6.731 -11.091 1.921 157 HB3 LEU 21 3HB LEU 21 -6.849 -9.763 0.769 158 HG LEU 21 HG LEU 21 -5.289 -9.843 3.343 159 HD11 LEU 21 1HD1 LEU 21 -4.221 -9.085 0.667 160 HD12 LEU 21 2HD1 LEU 21 -4.478 -10.788 1.043 161 HD13 LEU 21 3HD1 LEU 21 -3.399 -9.818 2.045 162 HD21 LEU 21 1HD2 LEU 21 -4.690 -7.460 2.109 163 HD22 LEU 21 2HD2 LEU 21 -5.708 -7.658 3.536 164 HD23 LEU 21 3HD2 LEU 21 -6.442 -7.570 1.933 165 H SER 22 HN SER 22 -10.346 -10.645 2.438 166 HA SER 22 HA SER 22 -11.086 -9.426 -0.138 167 HB2 SER 22 2HB SER 22 -12.161 -11.353 -0.730 168 HB3 SER 22 3HB SER 22 -11.018 -12.060 0.412 169 HG SER 22 HG SER 22 -13.754 -11.505 0.742 170 H THR 23 HN THR 23 -11.536 -8.983 3.058 171 HA THR 23 HA THR 23 -14.340 -8.133 2.756 172 HB THR 23 HB THR 23 -12.925 -8.474 5.393 173 HG1 THR 23 1HG THR 23 -13.296 -10.426 3.769 174 HG21 THR 23 1HG2 THR 23 -15.792 -9.019 5.153 175 HG22 THR 23 2HG2 THR 23 -15.345 -7.358 4.763 176 HG23 THR 23 3HG2 THR 23 -14.921 -8.041 6.332 177 H ALA 24 HN ALA 24 -12.096 -6.595 1.803 178 HA ALA 24 HA ALA 24 -11.243 -4.481 1.846 179 HB1 ALA 24 1HB ALA 24 -12.761 -2.749 2.313 180 HB2 ALA 24 2HB ALA 24 -13.758 -4.101 1.773 181 HB3 ALA 24 3HB ALA 24 -13.639 -3.724 3.492 182 H SER 25 HN SER 25 -10.897 -2.493 3.474 183 HA SER 25 HA SER 25 -9.258 -3.554 5.565 184 HB2 SER 25 2HB SER 25 -8.205 -1.597 5.288 185 HB3 SER 25 3HB SER 25 -9.448 -1.113 4.135 186 HG SER 25 HG SER 25 -9.202 -0.508 6.856 187 H GLY 26 HN GLY 26 -9.532 -3.453 7.767 188 HA2 GLY 26 1HA GLY 26 -12.282 -3.228 8.669 189 HA3 GLY 26 2HA GLY 26 -10.916 -3.803 9.613 190 H TYR 27 HN TYR 27 -9.483 -1.253 8.630 191 HA TYR 27 HA TYR 27 -10.237 0.333 10.923 192 HB2 TYR 27 2HB TYR 27 -8.050 0.508 8.869 193 HB3 TYR 27 3HB TYR 27 -8.360 1.845 9.971 194 HD1 TYR 27 1HD TYR 27 -9.146 -1.241 11.512 195 HD2 TYR 27 2HD TYR 27 -5.872 1.288 10.515 196 HE1 TYR 27 1HE TYR 27 -7.778 -2.344 13.233 197 HE2 TYR 27 2HE TYR 27 -4.495 0.191 12.232 198 HH TYR 27 HH TYR 27 -4.439 -1.310 13.866 199 H SER 28 HN SER 28 -11.133 0.181 7.673 200 HA SER 28 HA SER 28 -11.462 2.641 6.672 201 HB2 SER 28 2HB SER 28 -12.889 1.621 5.268 202 HB3 SER 28 3HB SER 28 -12.717 0.180 6.268 203 HG SER 28 HG SER 28 -14.899 0.743 6.061 204 H ASP 29 HN ASP 29 -13.339 1.302 9.343 205 HA ASP 29 HA ASP 29 -15.204 3.377 9.606 206 HB2 ASP 29 2HB ASP 29 -14.101 1.325 11.500 207 HB3 ASP 29 3HB ASP 29 -15.195 2.575 12.086 208 H VAL 30 HN VAL 30 -12.062 2.896 11.199 209 HA VAL 30 HA VAL 30 -12.210 5.472 12.503 210 HB VAL 30 HB VAL 30 -9.951 3.472 12.357 211 HG11 VAL 30 1HG1 VAL 30 -10.053 6.204 13.323 212 HG12 VAL 30 2HG1 VAL 30 -9.586 5.068 14.589 213 HG13 VAL 30 3HG1 VAL 30 -8.667 5.142 13.085 214 HG21 VAL 30 1HG2 VAL 30 -11.747 2.512 13.568 215 HG22 VAL 30 2HG2 VAL 30 -10.603 3.107 14.770 216 HG23 VAL 30 3HG2 VAL 30 -12.071 4.020 14.423 217 H THR 31 HN THR 31 -9.604 4.088 10.511 218 HA THR 31 HA THR 31 -8.338 6.398 9.799 219 HB THR 31 HB THR 31 -7.683 5.210 7.654 220 HG1 THR 31 1HG THR 31 -8.368 2.795 8.091 221 HG21 THR 31 1HG2 THR 31 -7.362 3.570 10.167 222 HG22 THR 31 2HG2 THR 31 -6.445 5.036 9.822 223 HG23 THR 31 3HG2 THR 31 -6.276 3.624 8.778 224 H ASP 32 HN ASP 32 -10.391 4.763 7.402 225 HA ASP 32 HA ASP 32 -12.049 5.592 6.041 226 HB2 ASP 32 2HB ASP 32 -12.351 7.272 8.059 227 HB3 ASP 32 3HB ASP 32 -11.601 8.408 6.940 228 H SER 33 HN SER 33 -9.128 7.535 6.450 229 HA SER 33 HA SER 33 -7.969 8.818 4.904 230 HB2 SER 33 2HB SER 33 -8.077 6.224 3.362 231 HB3 SER 33 3HB SER 33 -6.764 7.398 3.416 232 HG SER 33 HG SER 33 -6.111 6.602 5.272 233 H LYS 34 HN LYS 34 -7.876 8.066 2.029 234 HA LYS 34 HA LYS 34 -10.504 8.715 1.008 235 HB2 LYS 34 2HB LYS 34 -8.877 10.835 1.661 236 HB3 LYS 34 3HB LYS 34 -8.518 10.598 -0.045 237 HG2 LYS 34 2HG LYS 34 -10.283 11.934 -0.366 238 HG3 LYS 34 3HG LYS 34 -11.226 10.474 -0.063 239 HD2 LYS 34 2HD LYS 34 -12.140 11.424 1.725 240 HD3 LYS 34 3HD LYS 34 -10.542 11.632 2.444 241 HE2 LYS 34 2HE LYS 34 -11.484 13.547 0.355 242 HE3 LYS 34 3HE LYS 34 -12.081 13.702 2.006 243 HZ1 LYS 34 1HZ LYS 34 -9.462 13.454 2.431 244 HZ2 LYS 34 2HZ LYS 34 -10.244 14.942 2.253 245 HZ3 LYS 34 3HZ LYS 34 -9.444 14.245 0.936 246 H ALA 35 HN ALA 35 -7.045 8.410 0.289 247 HA ALA 35 HA ALA 35 -7.259 7.896 -2.452 248 HB1 ALA 35 1HB ALA 35 -5.047 6.586 -1.991 249 HB2 ALA 35 2HB ALA 35 -5.101 8.338 -1.786 250 HB3 ALA 35 3HB ALA 35 -5.204 7.282 -0.377 251 H LEU 36 HN LEU 36 -6.413 5.402 -0.056 252 HA LEU 36 HA LEU 36 -7.130 3.242 -1.685 253 HB2 LEU 36 2HB LEU 36 -7.345 2.972 1.265 254 HB3 LEU 36 3HB LEU 36 -6.598 1.896 0.085 255 HG LEU 36 HG LEU 36 -4.750 2.650 1.199 256 HD11 LEU 36 1HD1 LEU 36 -5.104 3.655 -1.333 257 HD12 LEU 36 2HD1 LEU 36 -3.586 3.617 -0.438 258 HD13 LEU 36 3HD1 LEU 36 -4.588 5.067 -0.412 259 HD21 LEU 36 1HD2 LEU 36 -5.212 5.500 1.408 260 HD22 LEU 36 2HD2 LEU 36 -4.787 4.330 2.659 261 HD23 LEU 36 3HD2 LEU 36 -6.477 4.569 2.211 262 H GLY 37 HN GLY 37 -8.993 5.130 0.620 263 HA2 GLY 37 1HA GLY 37 -11.242 5.188 1.082 264 HA3 GLY 37 2HA GLY 37 -11.465 4.554 -0.542 265 H SER 38 HN SER 38 -9.548 2.560 1.416 266 HA SER 38 HA SER 38 -9.884 0.542 2.412 267 HB2 SER 38 2HB SER 38 -11.589 2.052 3.708 268 HB3 SER 38 3HB SER 38 -12.798 1.148 2.796 269 HG SER 38 HG SER 38 -12.454 -0.509 4.038 270 H LEU 39 HN LEU 39 -9.940 0.549 -0.311 271 HA LEU 39 HA LEU 39 -11.392 -1.840 -0.873 272 HB2 LEU 39 2HB LEU 39 -12.885 -1.056 -2.543 273 HB3 LEU 39 3HB LEU 39 -13.162 -0.097 -1.091 274 HG LEU 39 HG LEU 39 -11.264 1.231 -2.788 275 HD11 LEU 39 1HD1 LEU 39 -13.895 1.049 -4.153 276 HD12 LEU 39 2HD1 LEU 39 -12.731 -0.250 -4.412 277 HD13 LEU 39 3HD1 LEU 39 -12.299 1.413 -4.810 278 HD21 LEU 39 1HD2 LEU 39 -13.852 1.763 -1.449 279 HD22 LEU 39 2HD2 LEU 39 -13.397 2.828 -2.779 280 HD23 LEU 39 3HD2 LEU 39 -12.333 2.657 -1.382 281 H ALA 40 HN ALA 40 -8.735 -1.401 -0.958 282 HA ALA 40 HA ALA 40 -8.140 -1.899 -3.743 283 HB1 ALA 40 1HB ALA 40 -6.496 -0.189 -4.022 284 HB2 ALA 40 2HB ALA 40 -7.994 0.583 -3.504 285 HB3 ALA 40 3HB ALA 40 -6.683 0.339 -2.349 286 H VAL 41 HN VAL 41 -6.811 -3.580 -3.796 287 HA VAL 41 HA VAL 41 -5.021 -4.031 -1.499 288 HB VAL 41 HB VAL 41 -5.849 -6.217 -3.375 289 HG11 VAL 41 1HG1 VAL 41 -5.653 -7.070 -0.705 290 HG12 VAL 41 2HG1 VAL 41 -4.528 -7.387 -2.026 291 HG13 VAL 41 3HG1 VAL 41 -4.290 -5.985 -0.982 292 HG21 VAL 41 1HG2 VAL 41 -7.560 -6.689 -1.428 293 HG22 VAL 41 2HG2 VAL 41 -7.483 -4.937 -1.241 294 HG23 VAL 41 3HG2 VAL 41 -7.984 -5.639 -2.780 295 H GLY 42 HN GLY 42 -2.890 -4.096 -1.855 296 HA2 GLY 42 1HA GLY 42 -1.801 -4.902 -4.406 297 HA3 GLY 42 2HA GLY 42 -1.610 -3.189 -4.063 298 H HIS 43 HN HIS 43 -0.045 -6.034 -3.954 299 HA HIS 43 HA HIS 43 1.201 -5.991 -1.410 300 HB2 HIS 43 2HB HIS 43 2.875 -7.505 -2.471 301 HB3 HIS 43 3HB HIS 43 1.209 -8.024 -2.711 302 HD1 HIS 43 1HD HIS 43 0.224 -7.733 -5.129 303 HD2 HIS 43 2HD HIS 43 4.284 -6.926 -4.777 304 HE1 HIS 43 1HE HIS 43 1.110 -7.704 -7.482 305 H LEU 44 HN LEU 44 3.240 -5.253 -0.792 306 HA LEU 44 HA LEU 44 4.078 -2.827 -2.066 307 HB2 LEU 44 2HB LEU 44 4.313 -3.981 0.478 308 HB3 LEU 44 3HB LEU 44 5.959 -3.811 -0.125 309 HG LEU 44 HG LEU 44 4.158 -1.454 -0.320 310 HD11 LEU 44 1HD1 LEU 44 5.414 -2.402 2.251 311 HD12 LEU 44 2HD1 LEU 44 3.691 -2.224 1.922 312 HD13 LEU 44 3HD1 LEU 44 4.727 -0.799 1.985 313 HD21 LEU 44 1HD2 LEU 44 6.210 -0.254 0.046 314 HD22 LEU 44 2HD2 LEU 44 6.474 -1.471 -1.203 315 HD23 LEU 44 3HD2 LEU 44 7.062 -1.748 0.437 316 H THR 45 HN THR 45 4.959 -3.199 -4.051 317 HA THR 45 HA THR 45 6.419 -5.168 -5.093 318 HB THR 45 HB THR 45 7.620 -3.591 -6.490 319 HG1 THR 45 1HG THR 45 7.733 -1.423 -5.970 320 HG21 THR 45 1HG2 THR 45 4.775 -3.406 -5.969 321 HG22 THR 45 2HG2 THR 45 5.639 -3.412 -7.506 322 HG23 THR 45 3HG2 THR 45 5.418 -1.901 -6.625 323 H LYS 46 HN LYS 46 7.563 -2.944 -2.643 324 HA LYS 46 HA LYS 46 10.280 -3.280 -2.707 325 HB2 LYS 46 2HB LYS 46 8.627 -2.039 -1.015 326 HB3 LYS 46 3HB LYS 46 8.985 -3.454 -0.033 327 HG2 LYS 46 2HG LYS 46 10.577 -1.928 0.653 328 HG3 LYS 46 3HG LYS 46 11.453 -2.899 -0.532 329 HD2 LYS 46 2HD LYS 46 11.551 -1.200 -2.051 330 HD3 LYS 46 3HD LYS 46 10.028 -0.489 -1.517 331 HE2 LYS 46 2HE LYS 46 11.044 0.551 0.334 332 HE3 LYS 46 3HE LYS 46 12.499 -0.433 0.192 333 HZ1 LYS 46 1HZ LYS 46 13.128 1.594 -0.688 334 HZ2 LYS 46 2HZ LYS 46 11.649 1.852 -1.467 335 HZ3 LYS 46 3HZ LYS 46 12.737 0.708 -2.076 336 H CYS 47 HN CYS 47 8.132 -5.242 -0.636 337 HA CYS 47 HA CYS 47 10.134 -7.392 -0.749 338 HB2 CYS 47 2HB CYS 47 8.960 -8.275 1.278 339 HB3 CYS 47 3HB CYS 47 9.687 -6.688 1.508 340 H SER 48 HN SER 48 6.753 -6.630 -1.278 341 HA SER 48 HA SER 48 5.261 -7.660 -2.697 342 HB2 SER 48 2HB SER 48 7.424 -8.632 -3.779 343 HB3 SER 48 3HB SER 48 7.005 -10.098 -2.893 344 HG SER 48 HG SER 48 5.687 -10.484 -4.471 345 H HIS 49 HN HIS 49 4.446 -7.644 -0.335 346 HA HIS 49 HA HIS 49 3.990 -10.404 0.579 347 HB2 HIS 49 2HB HIS 49 3.880 -7.779 2.068 348 HB3 HIS 49 3HB HIS 49 3.312 -9.301 2.748 349 HD2 HIS 49 2HD HIS 49 6.541 -9.759 0.763 350 HE1 HIS 49 1HE HIS 49 7.639 -9.409 4.846 351 HE2 HIS 49 2HE HIS 49 8.441 -9.914 2.513 352 H ALA 50 HN ALA 50 2.008 -7.856 1.771 353 HA ALA 50 HA ALA 50 -0.050 -7.524 0.080 354 HB1 ALA 50 1HB ALA 50 -0.069 -10.303 1.127 355 HB2 ALA 50 2HB ALA 50 -1.612 -9.466 0.960 356 HB3 ALA 50 3HB ALA 50 -0.570 -9.681 -0.445 357 H PHE 51 HN PHE 51 -1.573 -6.278 1.020 358 HA PHE 51 HA PHE 51 -2.572 -6.578 3.625 359 HB2 PHE 51 2HB PHE 51 -1.232 -4.111 4.005 360 HB3 PHE 51 3HB PHE 51 -1.032 -5.603 4.918 361 HD1 PHE 51 1HD PHE 51 0.071 -4.049 1.713 362 HD2 PHE 51 2HD PHE 51 1.057 -6.551 5.011 363 HE1 PHE 51 1HE PHE 51 2.373 -4.250 0.868 364 HE2 PHE 51 2HE PHE 51 3.360 -6.756 4.172 365 HZ PHE 51 HZ PHE 51 4.021 -5.603 2.098 366 H HIS 52 HN HIS 52 -3.789 -4.566 4.345 367 HA HIS 52 HA HIS 52 -5.249 -3.562 2.071 368 HB2 HIS 52 2HB HIS 52 -5.562 -3.257 5.052 369 HB3 HIS 52 3HB HIS 52 -6.564 -2.356 3.916 370 HD2 HIS 52 2HD HIS 52 -7.032 -4.970 1.847 371 HE1 HIS 52 1HE HIS 52 -8.899 -6.627 5.278 372 HE2 HIS 52 2HE HIS 52 -8.567 -6.826 2.789 373 H LEU 53 HN LEU 53 -4.147 -2.059 0.930 374 HA LEU 53 HA LEU 53 -2.265 -0.277 1.582 375 HB2 LEU 53 2HB LEU 53 -4.662 0.516 -0.058 376 HB3 LEU 53 3HB LEU 53 -3.029 1.170 -0.170 377 HG LEU 53 HG LEU 53 -3.825 -1.649 -0.897 378 HD11 LEU 53 1HD1 LEU 53 -3.957 0.847 -2.362 379 HD12 LEU 53 2HD1 LEU 53 -4.593 -0.743 -2.778 380 HD13 LEU 53 3HD1 LEU 53 -2.918 -0.336 -3.156 381 HD21 LEU 53 1HD2 LEU 53 -1.623 -1.948 -1.671 382 HD22 LEU 53 2HD2 LEU 53 -1.461 -1.213 -0.075 383 HD23 LEU 53 3HD2 LEU 53 -1.251 -0.230 -1.525 384 H LEU 54 HN LEU 54 -5.608 -0.091 2.552 385 HA LEU 54 HA LEU 54 -5.501 2.606 3.493 386 HB2 LEU 54 2HB LEU 54 -7.641 1.858 2.961 387 HB3 LEU 54 3HB LEU 54 -7.421 0.332 3.813 388 HG LEU 54 HG LEU 54 -7.977 1.227 5.846 389 HD11 LEU 54 1HD1 LEU 54 -6.618 2.924 6.413 390 HD12 LEU 54 2HD1 LEU 54 -7.978 3.928 5.912 391 HD13 LEU 54 3HD1 LEU 54 -6.646 3.628 4.796 392 HD21 LEU 54 1HD2 LEU 54 -9.456 2.640 3.677 393 HD22 LEU 54 2HD2 LEU 54 -9.774 3.072 5.357 394 HD23 LEU 54 3HD2 LEU 54 -10.018 1.413 4.812 395 H CYS 55 HN CYS 55 -5.960 -0.416 5.335 396 HA CYS 55 HA CYS 55 -5.498 0.518 7.855 397 HB2 CYS 55 2HB CYS 55 -4.714 -2.135 6.641 398 HB3 CYS 55 3HB CYS 55 -4.601 -1.796 8.366 399 H LEU 56 HN LEU 56 -3.122 -0.172 5.374 400 HA LEU 56 HA LEU 56 -0.844 0.033 7.081 401 HB2 LEU 56 2HB LEU 56 -0.954 0.429 4.098 402 HB3 LEU 56 3HB LEU 56 0.459 0.015 5.068 403 HG LEU 56 HG LEU 56 -1.880 -1.730 4.341 404 HD11 LEU 56 1HD1 LEU 56 -0.492 -2.450 2.773 405 HD12 LEU 56 2HD1 LEU 56 0.630 -2.977 4.028 406 HD13 LEU 56 3HD1 LEU 56 0.768 -1.357 3.347 407 HD21 LEU 56 1HD2 LEU 56 -0.419 -3.414 5.753 408 HD22 LEU 56 2HD2 LEU 56 -1.671 -2.427 6.506 409 HD23 LEU 56 3HD2 LEU 56 0.021 -1.940 6.618 410 H LEU 57 HN LEU 57 -2.175 2.220 4.596 411 HA LEU 57 HA LEU 57 -0.533 4.360 4.797 412 HB2 LEU 57 2HB LEU 57 -2.809 3.972 3.526 413 HB3 LEU 57 3HB LEU 57 -3.457 4.918 4.863 414 HG LEU 57 HG LEU 57 -1.247 5.868 3.045 415 HD11 LEU 57 1HD1 LEU 57 -4.214 6.388 2.929 416 HD12 LEU 57 2HD1 LEU 57 -3.227 5.576 1.713 417 HD13 LEU 57 3HD1 LEU 57 -2.997 7.295 2.029 418 HD21 LEU 57 1HD2 LEU 57 -1.071 7.130 4.969 419 HD22 LEU 57 2HD2 LEU 57 -2.802 7.060 5.302 420 HD23 LEU 57 3HD2 LEU 57 -2.194 8.095 4.009 421 H ALA 58 HN ALA 58 -2.664 3.189 7.245 422 HA ALA 58 HA ALA 58 -2.818 5.568 8.803 423 HB1 ALA 58 1HB ALA 58 -4.015 3.069 8.870 424 HB2 ALA 58 2HB ALA 58 -3.056 3.132 10.350 425 HB3 ALA 58 3HB ALA 58 -4.255 4.384 10.022 426 H MET 59 HN MET 59 -1.118 2.518 9.548 427 HA MET 59 HA MET 59 0.597 3.823 11.437 428 HB2 MET 59 2HB MET 59 1.759 1.543 11.422 429 HB3 MET 59 3HB MET 59 0.087 1.590 11.967 430 HG2 MET 59 2HG MET 59 -0.503 0.125 10.425 431 HG3 MET 59 3HG MET 59 0.143 1.153 9.148 432 HE1 MET 59 1HE MET 59 1.631 -0.466 7.420 433 HE2 MET 59 2HE MET 59 2.219 1.052 8.098 434 HE3 MET 59 3HE MET 59 3.282 -0.356 8.031 435 H TYR 60 HN TYR 60 0.615 3.623 8.108 436 HA TYR 60 HA TYR 60 3.322 3.230 7.494 437 HB2 TYR 60 2HB TYR 60 2.512 3.415 5.421 438 HB3 TYR 60 3HB TYR 60 0.960 3.907 6.091 439 HD1 TYR 60 1HD TYR 60 3.429 4.814 3.843 440 HD2 TYR 60 2HD TYR 60 0.976 6.497 6.886 441 HE1 TYR 60 1HE TYR 60 3.704 7.037 2.828 442 HE2 TYR 60 2HE TYR 60 1.244 8.725 5.877 443 HH TYR 60 HH TYR 60 2.059 9.340 2.967 444 H CYS 61 HN CYS 61 1.593 6.009 8.686 445 HA CYS 61 HA CYS 61 3.369 8.050 8.023 446 HB2 CYS 61 2HB CYS 61 1.363 8.816 8.901 447 HB3 CYS 61 3HB CYS 61 1.382 7.656 10.225 448 HG CYS 61 HG CYS 61 2.489 10.774 10.142 449 H ASN 62 HN ASN 62 3.844 5.396 10.057 450 HA ASN 62 HA ASN 62 5.725 6.639 11.848 451 HB2 ASN 62 2HB ASN 62 4.232 4.347 11.968 452 HB3 ASN 62 3HB ASN 62 5.828 3.711 11.578 453 HD21 ASN 62 1HD2 ASN 62 3.856 5.230 13.950 454 HD22 ASN 62 2HD2 ASN 62 4.997 5.177 15.247 455 H GLY 63 HN GLY 63 5.961 4.288 9.178 456 HA2 GLY 63 1HA GLY 63 8.631 5.336 8.582 457 HA3 GLY 63 2HA GLY 63 8.484 3.618 8.921 458 H ASN 64 HN ASN 64 9.533 4.178 6.568 459 HA ASN 64 HA ASN 64 9.269 4.189 4.279 460 HB2 ASN 64 2HB ASN 64 8.861 1.801 5.189 461 HB3 ASN 64 3HB ASN 64 7.169 2.098 4.801 462 HD21 ASN 64 1HD2 ASN 64 7.067 0.559 3.211 463 HD22 ASN 64 2HD2 ASN 64 7.877 0.717 1.694 464 H LYS 65 HN LYS 65 7.907 6.326 5.104 465 HA LYS 65 HA LYS 65 5.333 6.182 3.675 466 HB2 LYS 65 2HB LYS 65 4.939 8.383 5.060 467 HB3 LYS 65 3HB LYS 65 4.671 6.806 5.790 468 HG2 LYS 65 2HG LYS 65 6.383 7.033 7.230 469 HG3 LYS 65 3HG LYS 65 7.396 7.883 6.062 470 HD2 LYS 65 2HD LYS 65 5.508 9.748 6.451 471 HD3 LYS 65 3HD LYS 65 5.444 8.942 8.020 472 HE2 LYS 65 2HE LYS 65 7.017 10.694 8.239 473 HE3 LYS 65 3HE LYS 65 7.953 9.204 8.119 474 HZ1 LYS 65 1HZ LYS 65 7.614 11.341 6.118 475 HZ2 LYS 65 2HZ LYS 65 8.027 9.776 5.627 476 HZ3 LYS 65 3HZ LYS 65 9.040 10.626 6.683 477 H ASP 66 HN ASP 66 5.955 6.752 1.639 478 HA ASP 66 HA ASP 66 7.136 9.435 1.346 479 HB2 ASP 66 2HB ASP 66 8.019 6.878 0.242 480 HB3 ASP 66 3HB ASP 66 7.789 8.113 -0.993 481 H GLY 67 HN GLY 67 4.562 7.355 0.675 482 HA2 GLY 67 1HA GLY 67 2.730 8.987 -0.298 483 HA3 GLY 67 2HA GLY 67 3.732 8.798 -1.730 484 H SER 68 HN SER 68 2.816 6.412 0.734 485 HA SER 68 HA SER 68 0.904 5.111 -0.938 486 HB2 SER 68 2HB SER 68 3.693 4.344 -1.188 487 HB3 SER 68 3HB SER 68 2.703 2.992 -0.644 488 HG SER 68 HG SER 68 1.302 3.465 -2.439 489 H LEU 69 HN LEU 69 3.195 3.429 1.137 490 HA LEU 69 HA LEU 69 1.821 3.660 3.566 491 HB2 LEU 69 2HB LEU 69 0.814 1.380 3.652 492 HB3 LEU 69 3HB LEU 69 -0.004 2.513 2.579 493 HG LEU 69 HG LEU 69 0.362 0.050 1.834 494 HD11 LEU 69 1HD1 LEU 69 -0.298 0.847 -0.131 495 HD12 LEU 69 2HD1 LEU 69 1.258 1.629 -0.406 496 HD13 LEU 69 3HD1 LEU 69 -0.002 2.468 0.499 497 HD21 LEU 69 1HD2 LEU 69 2.791 0.075 2.353 498 HD22 LEU 69 2HD2 LEU 69 3.020 1.243 1.051 499 HD23 LEU 69 3HD2 LEU 69 2.429 -0.379 0.688 500 H GLN 70 HN GLN 70 2.276 1.364 4.855 501 HA GLN 70 HA GLN 70 5.075 0.663 4.278 502 HB2 GLN 70 2HB GLN 70 5.149 2.233 6.094 503 HB3 GLN 70 3HB GLN 70 3.865 1.388 6.948 504 HG2 GLN 70 2HG GLN 70 6.001 0.926 7.970 505 HG3 GLN 70 3HG GLN 70 5.337 -0.541 7.249 506 HE21 GLN 70 1HE2 GLN 70 8.126 0.718 7.838 507 HE22 GLN 70 2HE2 GLN 70 9.014 0.347 6.402 508 H CYS 71 HN CYS 71 5.769 -1.394 5.120 509 HA CYS 71 HA CYS 71 3.604 -3.343 5.086 510 HB2 CYS 71 2HB CYS 71 5.416 -3.861 3.617 511 HB3 CYS 71 3HB CYS 71 6.606 -3.599 4.889 512 HA PRO 72 HA PRO 72 3.866 -3.360 9.580 513 HB2 PRO 72 2HB PRO 72 1.626 -4.854 9.927 514 HB3 PRO 72 3HB PRO 72 1.582 -3.118 9.594 515 HG2 PRO 72 2HG PRO 72 1.195 -5.418 7.716 516 HG3 PRO 72 3HG PRO 72 0.281 -3.902 7.833 517 HD2 PRO 72 2HD PRO 72 2.195 -4.310 5.960 518 HD3 PRO 72 3HD PRO 72 1.865 -2.711 6.657 519 H SER 73 HN SER 73 4.538 -5.679 7.344 520 HA SER 73 HA SER 73 4.684 -7.890 9.259 521 HB2 SER 73 2HB SER 73 4.326 -7.695 6.397 522 HB3 SER 73 3HB SER 73 5.694 -8.741 6.776 523 HG SER 73 HG SER 73 4.056 -9.628 8.410 524 H CYS 74 HN CYS 74 6.880 -7.254 6.573 525 HA CYS 74 HA CYS 74 9.133 -7.551 8.418 526 HB2 CYS 74 2HB CYS 74 10.458 -8.133 6.536 527 HB3 CYS 74 3HB CYS 74 8.919 -8.956 6.311 528 H LYS 75 HN LYS 75 7.576 -5.081 8.247 529 HA LYS 75 HA LYS 75 7.803 -2.824 7.780 530 HB2 LYS 75 2HB LYS 75 10.448 -3.546 9.053 531 HB3 LYS 75 3HB LYS 75 9.803 -1.915 8.934 532 HG2 LYS 75 2HG LYS 75 8.844 -4.201 10.605 533 HG3 LYS 75 3HG LYS 75 9.269 -2.559 11.095 534 HD2 LYS 75 2HD LYS 75 7.286 -1.773 9.745 535 HD3 LYS 75 3HD LYS 75 6.821 -3.469 9.594 536 HE2 LYS 75 2HE LYS 75 7.424 -2.721 12.336 537 HE3 LYS 75 3HE LYS 75 6.127 -1.747 11.645 538 HZ1 LYS 75 1HZ LYS 75 5.572 -3.977 12.789 539 HZ2 LYS 75 2HZ LYS 75 6.085 -4.673 11.336 540 HZ3 LYS 75 3HZ LYS 75 4.794 -3.580 11.340 541 H THR 76 HN THR 76 8.319 -4.209 5.434 542 HA THR 76 HA THR 76 10.774 -3.692 4.206 543 HB THR 76 HB THR 76 8.649 -5.062 3.403 544 HG1 THR 76 1HG THR 76 10.832 -4.879 2.436 545 HG21 THR 76 1HG2 THR 76 7.332 -2.934 3.099 546 HG22 THR 76 2HG2 THR 76 7.387 -3.989 1.688 547 HG23 THR 76 3HG2 THR 76 8.404 -2.550 1.754 Start of MODEL 13 1 H1 ASN 1 HN ASN 1 1.733 3.190 -5.313 2 HA ASN 1 HA ASN 1 3.453 4.996 -5.918 3 HB2 ASN 1 2HB ASN 1 3.224 5.746 -3.435 4 HB3 ASN 1 3HB ASN 1 4.396 4.471 -3.115 5 HD21 ASN 1 1HD2 ASN 1 4.758 7.264 -2.702 6 HD22 ASN 1 2HD2 ASN 1 6.062 7.770 -3.715 7 H TYR 2 HN TYR 2 4.002 2.398 -3.532 8 HA TYR 2 HA TYR 2 5.895 1.185 -5.435 9 HB2 TYR 2 2HB TYR 2 6.056 0.133 -2.736 10 HB3 TYR 2 3HB TYR 2 7.319 0.840 -3.739 11 HD1 TYR 2 1HD TYR 2 5.186 1.308 -0.905 12 HD2 TYR 2 2HD TYR 2 7.492 3.384 -3.815 13 HE1 TYR 2 1HE TYR 2 5.210 3.297 0.542 14 HE2 TYR 2 2HE TYR 2 7.524 5.379 -2.375 15 HH TYR 2 HH TYR 2 6.256 6.358 -0.560 16 H THR 3 HN THR 3 2.871 0.836 -4.002 17 HA THR 3 HA THR 3 2.871 -2.080 -4.394 18 HB THR 3 HB THR 3 1.519 -2.280 -2.626 19 HG1 THR 3 1HG THR 3 -0.168 -0.196 -2.715 20 HG21 THR 3 1HG2 THR 3 3.047 -0.588 -1.733 21 HG22 THR 3 2HG2 THR 3 1.435 -0.418 -1.037 22 HG23 THR 3 3HG2 THR 3 1.972 0.689 -2.301 23 H GLU 4 HN GLU 4 1.975 -2.837 -6.187 24 HA GLU 4 HA GLU 4 0.246 -1.097 -7.771 25 HB2 GLU 4 2HB GLU 4 2.031 -2.094 -9.012 26 HB3 GLU 4 3HB GLU 4 1.652 -3.693 -8.388 27 HG2 GLU 4 2HG GLU 4 -0.534 -3.557 -9.580 28 HG3 GLU 4 3HG GLU 4 0.030 -2.060 -10.321 29 H GLU 5 HN GLU 5 -1.824 -1.174 -7.144 30 HA GLU 5 HA GLU 5 -3.240 -2.937 -5.730 31 HB2 GLU 5 2HB GLU 5 -4.014 -0.804 -7.002 32 HB3 GLU 5 3HB GLU 5 -4.485 -1.929 -8.268 33 HG2 GLU 5 2HG GLU 5 -5.717 -3.153 -6.321 34 HG3 GLU 5 3HG GLU 5 -5.603 -1.582 -5.530 35 H LEU 6 HN LEU 6 -3.991 -4.969 -5.853 36 HA LEU 6 HA LEU 6 -3.216 -6.567 -8.153 37 HB2 LEU 6 2HB LEU 6 -4.702 -7.833 -5.951 38 HB3 LEU 6 3HB LEU 6 -3.232 -8.349 -6.774 39 HG LEU 6 HG LEU 6 -3.397 -6.264 -4.599 40 HD11 LEU 6 1HD1 LEU 6 -1.917 -8.813 -4.290 41 HD12 LEU 6 2HD1 LEU 6 -3.676 -8.870 -4.180 42 HD13 LEU 6 3HD1 LEU 6 -2.758 -7.834 -3.088 43 HD21 LEU 6 1HD2 LEU 6 -0.789 -7.372 -5.216 44 HD22 LEU 6 2HD2 LEU 6 -1.293 -5.690 -5.050 45 HD23 LEU 6 3HD2 LEU 6 -1.496 -6.523 -6.593 46 H LYS 7 HN LYS 7 -4.589 -6.406 -9.822 47 HA LYS 7 HA LYS 7 -7.145 -5.692 -10.044 48 HB2 LYS 7 2HB LYS 7 -5.440 -7.541 -11.516 49 HB3 LYS 7 3HB LYS 7 -7.145 -7.947 -11.660 50 HG2 LYS 7 2HG LYS 7 -7.664 -5.974 -12.732 51 HG3 LYS 7 3HG LYS 7 -6.253 -5.132 -12.089 52 HD2 LYS 7 2HD LYS 7 -5.038 -5.685 -13.872 53 HD3 LYS 7 3HD LYS 7 -5.445 -7.393 -13.681 54 HE2 LYS 7 2HE LYS 7 -7.764 -6.456 -14.682 55 HE3 LYS 7 3HE LYS 7 -6.629 -5.337 -15.436 56 HZ1 LYS 7 1HZ LYS 7 -5.713 -6.964 -16.687 57 HZ2 LYS 7 2HZ LYS 7 -7.242 -7.663 -16.503 58 HZ3 LYS 7 3HZ LYS 7 -5.955 -8.173 -15.530 59 H VAL 8 HN VAL 8 -6.059 -8.753 -8.718 60 HA VAL 8 HA VAL 8 -8.823 -9.280 -7.849 61 HB VAL 8 HB VAL 8 -8.347 -11.720 -8.056 62 HG11 VAL 8 1HG1 VAL 8 -8.555 -9.860 -10.358 63 HG12 VAL 8 2HG1 VAL 8 -8.275 -11.568 -10.706 64 HG13 VAL 8 3HG1 VAL 8 -9.692 -11.076 -9.778 65 HG21 VAL 8 1HG2 VAL 8 -5.811 -10.652 -9.216 66 HG22 VAL 8 2HG2 VAL 8 -6.055 -11.993 -8.097 67 HG23 VAL 8 3HG2 VAL 8 -6.466 -12.182 -9.802 68 HA PRO 9 HA PRO 9 -7.196 -9.690 -3.789 69 HB2 PRO 9 2HB PRO 9 -8.936 -11.481 -2.724 70 HB3 PRO 9 3HB PRO 9 -9.374 -9.803 -3.065 71 HG2 PRO 9 2HG PRO 9 -9.919 -12.266 -4.676 72 HG3 PRO 9 3HG PRO 9 -10.996 -10.906 -4.313 73 HD2 PRO 9 2HD PRO 9 -9.706 -11.152 -6.681 74 HD3 PRO 9 3HD PRO 9 -10.073 -9.575 -5.952 75 HA PRO 10 HA PRO 10 -4.471 -13.180 -3.909 76 HB2 PRO 10 2HB PRO 10 -3.436 -12.913 -1.413 77 HB3 PRO 10 3HB PRO 10 -2.987 -11.857 -2.758 78 HG2 PRO 10 2HG PRO 10 -4.936 -11.372 -0.538 79 HG3 PRO 10 3HG PRO 10 -3.729 -10.271 -1.228 80 HD2 PRO 10 2HD PRO 10 -6.353 -10.153 -1.886 81 HD3 PRO 10 3HD PRO 10 -5.062 -9.738 -3.031 82 H ASP 11 HN ASP 11 -6.684 -12.688 -1.195 83 HA ASP 11 HA ASP 11 -8.107 -14.205 -0.209 84 HB2 ASP 11 2HB ASP 11 -7.402 -15.582 -2.477 85 HB3 ASP 11 3HB ASP 11 -6.838 -16.659 -1.202 86 H GLU 12 HN GLU 12 -5.716 -13.211 0.922 87 HA GLU 12 HA GLU 12 -4.691 -15.489 2.464 88 HB2 GLU 12 2HB GLU 12 -3.590 -12.834 1.704 89 HB3 GLU 12 3HB GLU 12 -3.106 -13.487 3.263 90 HG2 GLU 12 2HG GLU 12 -2.931 -15.358 1.004 91 HG3 GLU 12 3HG GLU 12 -1.830 -13.982 0.944 92 H ASP 13 HN ASP 13 -4.530 -12.222 3.635 93 HA ASP 13 HA ASP 13 -6.756 -11.850 5.126 94 HB2 ASP 13 2HB ASP 13 -5.277 -14.129 6.137 95 HB3 ASP 13 3HB ASP 13 -5.428 -12.872 7.363 96 H CYS 14 HN CYS 14 -6.486 -9.776 5.575 97 HA CYS 14 HA CYS 14 -4.280 -8.249 5.510 98 HB2 CYS 14 2HB CYS 14 -6.612 -7.434 5.910 99 HB3 CYS 14 3HB CYS 14 -6.433 -7.882 7.603 100 H ILE 15 HN ILE 15 -2.856 -7.307 7.099 101 HA ILE 15 HA ILE 15 -2.217 -9.194 9.269 102 HB ILE 15 HB ILE 15 -0.050 -7.399 8.736 103 HG12 ILE 15 2HG1 ILE 15 -1.292 -8.741 6.347 104 HG13 ILE 15 3HG1 ILE 15 -0.726 -7.082 6.504 105 HG21 ILE 15 1HG2 ILE 15 -0.270 -9.852 9.674 106 HG22 ILE 15 2HG2 ILE 15 0.023 -10.276 7.988 107 HG23 ILE 15 3HG2 ILE 15 1.202 -9.307 8.871 108 HD11 ILE 15 1HD1 ILE 15 1.026 -9.527 6.426 109 HD12 ILE 15 2HD1 ILE 15 0.740 -8.414 5.087 110 HD13 ILE 15 3HD1 ILE 15 1.575 -7.855 6.536 111 H ILE 16 HN ILE 16 -3.090 -5.965 8.507 112 HA ILE 16 HA ILE 16 -2.127 -4.800 10.961 113 HB ILE 16 HB ILE 16 -4.237 -3.509 9.282 114 HG12 ILE 16 2HG1 ILE 16 -1.666 -4.432 8.316 115 HG13 ILE 16 3HG1 ILE 16 -2.992 -3.691 7.426 116 HG21 ILE 16 1HG2 ILE 16 -3.474 -2.395 11.309 117 HG22 ILE 16 2HG2 ILE 16 -1.809 -2.463 10.732 118 HG23 ILE 16 3HG2 ILE 16 -3.000 -1.483 9.877 119 HD11 ILE 16 1HD1 ILE 16 -0.918 -2.425 7.213 120 HD12 ILE 16 2HD1 ILE 16 -2.176 -1.484 8.016 121 HD13 ILE 16 3HD1 ILE 16 -0.874 -2.205 8.962 122 H CYS 17 HN CYS 17 -5.442 -4.929 9.654 123 HA CYS 17 HA CYS 17 -6.519 -4.898 12.342 124 HB2 CYS 17 2HB CYS 17 -8.639 -4.535 11.336 125 HB3 CYS 17 3HB CYS 17 -7.489 -3.598 10.388 126 H MET 18 HN MET 18 -5.053 -7.264 11.073 127 HA MET 18 HA MET 18 -5.337 -9.537 10.769 128 HB2 MET 18 2HB MET 18 -6.836 -9.338 13.370 129 HB3 MET 18 3HB MET 18 -5.737 -10.602 12.834 130 HG2 MET 18 2HG MET 18 -4.060 -8.510 12.818 131 HG3 MET 18 3HG MET 18 -5.172 -7.998 14.087 132 HE1 MET 18 1HE MET 18 -2.475 -10.320 12.885 133 HE2 MET 18 2HE MET 18 -1.783 -9.190 14.049 134 HE3 MET 18 3HE MET 18 -1.798 -10.918 14.400 135 H GLU 19 HN GLU 19 -6.921 -9.094 8.982 136 HA GLU 19 HA GLU 19 -9.393 -10.529 9.560 137 HB2 GLU 19 2HB GLU 19 -9.264 -7.753 8.398 138 HB3 GLU 19 3HB GLU 19 -10.639 -8.813 8.124 139 HG2 GLU 19 2HG GLU 19 -9.749 -8.371 10.920 140 HG3 GLU 19 3HG GLU 19 -10.599 -7.067 10.094 141 H LYS 20 HN LYS 20 -10.657 -10.567 7.257 142 HA LYS 20 HA LYS 20 -8.902 -12.063 5.546 143 HB2 LYS 20 2HB LYS 20 -11.826 -11.340 5.363 144 HB3 LYS 20 3HB LYS 20 -10.997 -12.286 4.133 145 HG2 LYS 20 2HG LYS 20 -10.864 -14.135 5.444 146 HG3 LYS 20 3HG LYS 20 -10.767 -13.204 6.940 147 HD2 LYS 20 2HD LYS 20 -12.967 -13.358 7.263 148 HD3 LYS 20 3HD LYS 20 -13.309 -12.808 5.622 149 HE2 LYS 20 2HE LYS 20 -14.196 -14.909 5.514 150 HE3 LYS 20 3HE LYS 20 -12.541 -15.263 5.022 151 HZ1 LYS 20 1HZ LYS 20 -12.212 -15.611 7.562 152 HZ2 LYS 20 2HZ LYS 20 -12.892 -16.842 6.622 153 HZ3 LYS 20 3HZ LYS 20 -13.886 -15.849 7.564 154 H LEU 21 HN LEU 21 -7.951 -11.445 3.698 155 HA LEU 21 HA LEU 21 -7.826 -8.691 3.021 156 HB2 LEU 21 2HB LEU 21 -6.631 -11.203 2.061 157 HB3 LEU 21 3HB LEU 21 -6.766 -9.924 0.856 158 HG LEU 21 HG LEU 21 -5.251 -9.825 3.460 159 HD11 LEU 21 1HD1 LEU 21 -3.315 -9.860 2.196 160 HD12 LEU 21 2HD1 LEU 21 -4.143 -9.362 0.722 161 HD13 LEU 21 3HD1 LEU 21 -4.349 -11.002 1.337 162 HD21 LEU 21 1HD2 LEU 21 -4.690 -7.576 1.866 163 HD22 LEU 21 2HD2 LEU 21 -5.479 -7.619 3.444 164 HD23 LEU 21 3HD2 LEU 21 -6.447 -7.695 1.969 165 H SER 22 HN SER 22 -10.194 -10.908 2.435 166 HA SER 22 HA SER 22 -10.919 -9.818 -0.187 167 HB2 SER 22 2HB SER 22 -11.604 -11.910 -0.597 168 HB3 SER 22 3HB SER 22 -11.223 -12.380 1.060 169 HG SER 22 HG SER 22 -13.379 -12.732 0.813 170 H THR 23 HN THR 23 -11.573 -9.392 3.091 171 HA THR 23 HA THR 23 -14.324 -8.557 2.792 172 HB THR 23 HB THR 23 -12.404 -8.474 5.117 173 HG1 THR 23 1HG THR 23 -14.263 -10.222 4.173 174 HG21 THR 23 1HG2 THR 23 -14.689 -7.909 6.327 175 HG22 THR 23 2HG2 THR 23 -15.057 -7.165 4.770 176 HG23 THR 23 3HG2 THR 23 -13.648 -6.637 5.690 177 H ALA 24 HN ALA 24 -12.045 -6.651 4.632 178 HA ALA 24 HA ALA 24 -11.627 -4.570 2.787 179 HB1 ALA 24 1HB ALA 24 -13.317 -3.165 4.548 180 HB2 ALA 24 2HB ALA 24 -13.535 -3.441 2.820 181 HB3 ALA 24 3HB ALA 24 -14.220 -4.572 3.987 182 H SER 25 HN SER 25 -10.880 -2.519 3.924 183 HA SER 25 HA SER 25 -8.959 -3.242 5.894 184 HB2 SER 25 2HB SER 25 -7.971 -1.350 5.207 185 HB3 SER 25 3HB SER 25 -9.326 -1.111 4.104 186 HG SER 25 HG SER 25 -8.823 0.050 6.595 187 H GLY 26 HN GLY 26 -9.094 -3.210 8.046 188 HA2 GLY 26 1HA GLY 26 -11.555 -2.710 9.357 189 HA3 GLY 26 2HA GLY 26 -10.014 -3.016 10.142 190 H TYR 27 HN TYR 27 -8.663 -0.770 8.898 191 HA TYR 27 HA TYR 27 -9.295 1.218 10.815 192 HB2 TYR 27 2HB TYR 27 -7.480 1.177 8.410 193 HB3 TYR 27 3HB TYR 27 -7.669 2.615 9.408 194 HD1 TYR 27 1HD TYR 27 -7.151 -1.044 10.016 195 HD2 TYR 27 2HD TYR 27 -5.964 2.942 10.915 196 HE1 TYR 27 1HE TYR 27 -5.451 -1.906 11.570 197 HE2 TYR 27 2HE TYR 27 -4.261 2.090 12.471 198 HH TYR 27 HH TYR 27 -4.234 -0.872 13.724 199 H SER 28 HN SER 28 -10.445 0.561 7.646 200 HA SER 28 HA SER 28 -11.137 2.897 6.505 201 HB2 SER 28 2HB SER 28 -12.847 1.784 5.384 202 HB3 SER 28 3HB SER 28 -11.830 0.445 5.914 203 HG SER 28 HG SER 28 -14.302 1.316 6.945 204 H ASP 29 HN ASP 29 -12.327 1.696 9.524 205 HA ASP 29 HA ASP 29 -14.701 2.995 9.904 206 HB2 ASP 29 2HB ASP 29 -12.620 1.928 11.602 207 HB3 ASP 29 3HB ASP 29 -13.319 3.378 12.316 208 H VAL 30 HN VAL 30 -11.575 4.373 10.939 209 HA VAL 30 HA VAL 30 -12.121 6.929 9.811 210 HB VAL 30 HB VAL 30 -12.694 6.506 12.719 211 HG11 VAL 30 1HG1 VAL 30 -11.198 8.747 11.539 212 HG12 VAL 30 2HG1 VAL 30 -12.551 9.203 12.578 213 HG13 VAL 30 3HG1 VAL 30 -11.262 8.174 13.206 214 HG21 VAL 30 1HG2 VAL 30 -14.017 7.735 10.363 215 HG22 VAL 30 2HG2 VAL 30 -14.695 6.735 11.650 216 HG23 VAL 30 3HG2 VAL 30 -14.345 8.438 11.948 217 H THR 31 HN THR 31 -10.035 6.667 9.002 218 HA THR 31 HA THR 31 -7.855 6.666 10.977 219 HB THR 31 HB THR 31 -7.987 4.940 9.029 220 HG1 THR 31 1HG THR 31 -6.100 5.699 10.476 221 HG21 THR 31 1HG2 THR 31 -8.369 6.599 7.253 222 HG22 THR 31 2HG2 THR 31 -6.896 5.669 6.974 223 HG23 THR 31 3HG2 THR 31 -6.794 7.316 7.595 224 H ASP 32 HN ASP 32 -9.369 8.504 8.456 225 HA ASP 32 HA ASP 32 -9.195 10.759 8.030 226 HB2 ASP 32 2HB ASP 32 -8.048 10.709 10.438 227 HB3 ASP 32 3HB ASP 32 -6.611 11.055 9.480 228 H SER 33 HN SER 33 -8.091 8.623 6.462 229 HA SER 33 HA SER 33 -5.563 9.579 5.423 230 HB2 SER 33 2HB SER 33 -7.369 7.282 4.655 231 HB3 SER 33 3HB SER 33 -5.895 7.677 3.772 232 HG SER 33 HG SER 33 -5.179 7.615 6.267 233 H LYS 34 HN LYS 34 -5.220 10.299 3.286 234 HA LYS 34 HA LYS 34 -6.819 12.275 2.323 235 HB2 LYS 34 2HB LYS 34 -4.559 11.901 1.499 236 HB3 LYS 34 3HB LYS 34 -5.066 10.415 0.708 237 HG2 LYS 34 2HG LYS 34 -6.506 11.688 -0.788 238 HG3 LYS 34 3HG LYS 34 -6.030 13.184 0.019 239 HD2 LYS 34 2HD LYS 34 -3.668 12.690 -0.620 240 HD3 LYS 34 3HD LYS 34 -4.262 11.320 -1.561 241 HE2 LYS 34 2HE LYS 34 -3.844 13.614 -2.722 242 HE3 LYS 34 3HE LYS 34 -5.274 12.668 -3.133 243 HZ1 LYS 34 1HZ LYS 34 -6.636 14.055 -1.851 244 HZ2 LYS 34 2HZ LYS 34 -5.619 15.116 -2.688 245 HZ3 LYS 34 3HZ LYS 34 -5.328 14.777 -1.056 246 H ALA 35 HN ALA 35 -6.810 8.924 1.105 247 HA ALA 35 HA ALA 35 -9.448 8.406 0.967 248 HB1 ALA 35 1HB ALA 35 -8.672 10.270 -1.229 249 HB2 ALA 35 2HB ALA 35 -9.895 9.036 -1.532 250 HB3 ALA 35 3HB ALA 35 -10.142 10.227 -0.254 251 H LEU 36 HN LEU 36 -8.713 6.317 1.082 252 HA LEU 36 HA LEU 36 -7.841 5.148 -1.451 253 HB2 LEU 36 2HB LEU 36 -6.115 3.828 -0.385 254 HB3 LEU 36 3HB LEU 36 -5.804 5.548 -0.165 255 HG LEU 36 HG LEU 36 -6.816 3.601 1.901 256 HD11 LEU 36 1HD1 LEU 36 -4.726 4.309 3.064 257 HD12 LEU 36 2HD1 LEU 36 -4.254 5.153 1.589 258 HD13 LEU 36 3HD1 LEU 36 -4.460 3.401 1.576 259 HD21 LEU 36 1HD2 LEU 36 -6.385 5.781 3.335 260 HD22 LEU 36 2HD2 LEU 36 -7.948 5.460 2.583 261 HD23 LEU 36 3HD2 LEU 36 -6.811 6.571 1.817 262 H GLY 37 HN GLY 37 -9.426 3.763 -1.904 263 HA2 GLY 37 1HA GLY 37 -11.394 2.727 -0.404 264 HA3 GLY 37 2HA GLY 37 -10.639 1.795 -1.688 265 H SER 38 HN SER 38 -11.798 0.992 0.934 266 HA SER 38 HA SER 38 -9.518 0.074 2.467 267 HB2 SER 38 2HB SER 38 -11.000 -0.014 4.147 268 HB3 SER 38 3HB SER 38 -12.230 0.582 3.031 269 HG SER 38 HG SER 38 -13.045 -1.306 3.708 270 H LEU 39 HN LEU 39 -10.477 -0.879 -0.368 271 HA LEU 39 HA LEU 39 -10.020 -3.728 0.199 272 HB2 LEU 39 2HB LEU 39 -11.594 -4.381 -1.472 273 HB3 LEU 39 3HB LEU 39 -12.398 -3.294 -0.341 274 HG LEU 39 HG LEU 39 -11.346 -1.827 -2.590 275 HD11 LEU 39 1HD1 LEU 39 -12.449 -2.776 -4.395 276 HD12 LEU 39 2HD1 LEU 39 -13.471 -3.785 -3.372 277 HD13 LEU 39 3HD1 LEU 39 -11.763 -4.177 -3.572 278 HD21 LEU 39 1HD2 LEU 39 -13.199 -1.300 -0.879 279 HD22 LEU 39 2HD2 LEU 39 -14.234 -2.271 -1.925 280 HD23 LEU 39 3HD2 LEU 39 -13.445 -0.826 -2.560 281 H ALA 40 HN ALA 40 -8.787 -1.050 -1.143 282 HA ALA 40 HA ALA 40 -7.922 -1.975 -3.696 283 HB1 ALA 40 1HB ALA 40 -6.298 -0.049 -3.507 284 HB2 ALA 40 2HB ALA 40 -8.007 0.367 -3.386 285 HB3 ALA 40 3HB ALA 40 -7.014 0.285 -1.931 286 H VAL 41 HN VAL 41 -7.281 -4.140 -2.665 287 HA VAL 41 HA VAL 41 -5.139 -4.591 -1.036 288 HB VAL 41 HB VAL 41 -5.383 -6.213 -3.543 289 HG11 VAL 41 1HG1 VAL 41 -4.581 -7.951 -2.275 290 HG12 VAL 41 2HG1 VAL 41 -3.778 -6.583 -1.501 291 HG13 VAL 41 3HG1 VAL 41 -5.219 -7.291 -0.769 292 HG21 VAL 41 1HG2 VAL 41 -7.641 -6.102 -3.155 293 HG22 VAL 41 2HG2 VAL 41 -7.207 -7.457 -2.113 294 HG23 VAL 41 3HG2 VAL 41 -7.442 -5.851 -1.420 295 H GLY 42 HN GLY 42 -3.114 -3.884 -1.056 296 HA2 GLY 42 1HA GLY 42 -1.783 -3.537 -3.670 297 HA3 GLY 42 2HA GLY 42 -1.618 -2.347 -2.387 298 H HIS 43 HN HIS 43 0.101 -4.547 -3.889 299 HA HIS 43 HA HIS 43 1.334 -5.701 -1.486 300 HB2 HIS 43 2HB HIS 43 2.089 -7.464 -2.771 301 HB3 HIS 43 3HB HIS 43 0.594 -7.065 -3.613 302 HD1 HIS 43 1HD HIS 43 4.326 -6.488 -3.899 303 HD2 HIS 43 2HD HIS 43 0.902 -6.430 -6.250 304 HE1 HIS 43 1HE HIS 43 5.136 -6.179 -6.260 305 H LEU 44 HN LEU 44 3.049 -4.690 -0.702 306 HA LEU 44 HA LEU 44 4.368 -2.563 -1.939 307 HB2 LEU 44 2HB LEU 44 4.521 -3.982 0.525 308 HB3 LEU 44 3HB LEU 44 6.153 -3.796 -0.114 309 HG LEU 44 HG LEU 44 4.198 -1.646 0.662 310 HD11 LEU 44 1HD1 LEU 44 6.445 -0.945 1.831 311 HD12 LEU 44 2HD1 LEU 44 6.814 -2.660 1.654 312 HD13 LEU 44 3HD1 LEU 44 5.382 -2.155 2.551 313 HD21 LEU 44 1HD2 LEU 44 4.984 -0.653 -1.243 314 HD22 LEU 44 2HD2 LEU 44 6.510 -1.538 -1.209 315 HD23 LEU 44 3HD2 LEU 44 6.251 -0.186 -0.107 316 H THR 45 HN THR 45 5.714 -2.543 -3.600 317 HA THR 45 HA THR 45 6.832 -4.932 -4.687 318 HB THR 45 HB THR 45 7.978 -3.411 -6.288 319 HG1 THR 45 1HG THR 45 8.190 -1.377 -5.769 320 HG21 THR 45 1HG2 THR 45 5.676 -2.231 -6.963 321 HG22 THR 45 2HG2 THR 45 5.054 -3.390 -5.789 322 HG23 THR 45 3HG2 THR 45 5.960 -3.955 -7.193 323 H LYS 46 HN LYS 46 7.708 -3.329 -2.013 324 HA LYS 46 HA LYS 46 10.570 -3.257 -2.407 325 HB2 LYS 46 2HB LYS 46 8.686 -2.539 -0.221 326 HB3 LYS 46 3HB LYS 46 10.337 -2.940 0.238 327 HG2 LYS 46 2HG LYS 46 10.169 -1.083 -2.007 328 HG3 LYS 46 3HG LYS 46 9.450 -0.470 -0.516 329 HD2 LYS 46 2HD LYS 46 12.086 -1.798 -0.282 330 HD3 LYS 46 3HD LYS 46 12.054 -0.227 -1.086 331 HE2 LYS 46 2HE LYS 46 10.534 -0.443 1.438 332 HE3 LYS 46 3HE LYS 46 12.289 -0.532 1.574 333 HZ1 LYS 46 1HZ LYS 46 11.213 1.750 1.711 334 HZ2 LYS 46 2HZ LYS 46 10.968 1.622 0.043 335 HZ3 LYS 46 3HZ LYS 46 12.538 1.586 0.671 336 H CYS 47 HN CYS 47 8.238 -5.243 -0.625 337 HA CYS 47 HA CYS 47 10.336 -7.295 -0.349 338 HB2 CYS 47 2HB CYS 47 9.082 -8.011 1.740 339 HB3 CYS 47 3HB CYS 47 9.960 -6.488 1.854 340 H SER 48 HN SER 48 7.219 -6.481 -1.441 341 HA SER 48 HA SER 48 5.833 -7.691 -2.826 342 HB2 SER 48 2HB SER 48 8.038 -9.249 -2.942 343 HB3 SER 48 3HB SER 48 6.937 -10.347 -2.111 344 HG SER 48 HG SER 48 6.135 -8.975 -4.439 345 H HIS 49 HN HIS 49 5.205 -6.979 -0.223 346 HA HIS 49 HA HIS 49 3.705 -9.303 0.784 347 HB2 HIS 49 2HB HIS 49 4.500 -6.768 2.232 348 HB3 HIS 49 3HB HIS 49 3.595 -8.106 2.935 349 HD2 HIS 49 2HD HIS 49 6.734 -8.901 0.766 350 HE1 HIS 49 1HE HIS 49 7.670 -9.679 4.830 351 HE2 HIS 49 2HE HIS 49 8.482 -9.797 2.449 352 H ALA 50 HN ALA 50 1.551 -9.288 0.686 353 HA ALA 50 HA ALA 50 0.231 -6.866 -0.294 354 HB1 ALA 50 1HB ALA 50 0.017 -9.282 -1.300 355 HB2 ALA 50 2HB ALA 50 -1.196 -9.467 -0.033 356 HB3 ALA 50 3HB ALA 50 -1.373 -8.198 -1.244 357 H PHE 51 HN PHE 51 -1.887 -6.289 0.590 358 HA PHE 51 HA PHE 51 -3.020 -7.244 2.914 359 HB2 PHE 51 2HB PHE 51 -2.022 -5.081 4.281 360 HB3 PHE 51 3HB PHE 51 -1.482 -6.744 4.483 361 HD1 PHE 51 1HD PHE 51 0.764 -6.362 5.070 362 HD2 PHE 51 2HD PHE 51 -0.841 -4.606 1.541 363 HE1 PHE 51 1HE PHE 51 3.030 -5.711 4.368 364 HE2 PHE 51 2HE PHE 51 1.422 -3.952 0.832 365 HZ PHE 51 HZ PHE 51 3.361 -4.505 2.245 366 H HIS 52 HN HIS 52 -4.274 -5.397 4.122 367 HA HIS 52 HA HIS 52 -5.854 -4.090 2.164 368 HB2 HIS 52 2HB HIS 52 -5.775 -3.975 5.172 369 HB3 HIS 52 3HB HIS 52 -6.874 -2.964 4.238 370 HD2 HIS 52 2HD HIS 52 -7.603 -5.501 2.081 371 HE1 HIS 52 1HE HIS 52 -9.270 -7.173 5.605 372 HE2 HIS 52 2HE HIS 52 -9.139 -7.319 3.094 373 H LEU 53 HN LEU 53 -4.907 -2.523 0.983 374 HA LEU 53 HA LEU 53 -2.885 -0.841 1.462 375 HB2 LEU 53 2HB LEU 53 -5.334 -0.664 -0.118 376 HB3 LEU 53 3HB LEU 53 -4.658 0.908 0.304 377 HG LEU 53 HG LEU 53 -3.293 -1.295 -1.238 378 HD11 LEU 53 1HD1 LEU 53 -5.038 0.701 -2.072 379 HD12 LEU 53 2HD1 LEU 53 -3.952 -0.250 -3.084 380 HD13 LEU 53 3HD1 LEU 53 -3.432 1.315 -2.461 381 HD21 LEU 53 1HD2 LEU 53 -1.560 0.613 -1.523 382 HD22 LEU 53 2HD2 LEU 53 -1.533 -0.367 -0.056 383 HD23 LEU 53 3HD2 LEU 53 -2.261 1.239 -0.031 384 H LEU 54 HN LEU 54 -6.194 0.356 2.027 385 HA LEU 54 HA LEU 54 -5.728 2.613 3.400 386 HB2 LEU 54 2HB LEU 54 -7.964 1.819 2.936 387 HB3 LEU 54 3HB LEU 54 -7.771 0.510 4.101 388 HG LEU 54 HG LEU 54 -8.199 1.848 5.883 389 HD11 LEU 54 1HD1 LEU 54 -6.409 3.324 5.873 390 HD12 LEU 54 2HD1 LEU 54 -7.806 4.391 5.732 391 HD13 LEU 54 3HD1 LEU 54 -6.846 4.002 4.305 392 HD21 LEU 54 1HD2 LEU 54 -10.237 2.115 4.867 393 HD22 LEU 54 2HD2 LEU 54 -9.567 3.011 3.504 394 HD23 LEU 54 3HD2 LEU 54 -9.754 3.799 5.070 395 H CYS 55 HN CYS 55 -6.177 -0.481 5.125 396 HA CYS 55 HA CYS 55 -5.510 0.254 7.651 397 HB2 CYS 55 2HB CYS 55 -4.793 -2.288 6.188 398 HB3 CYS 55 3HB CYS 55 -4.561 -2.079 7.920 399 H LEU 56 HN LEU 56 -3.179 -0.784 5.167 400 HA LEU 56 HA LEU 56 -0.852 -0.510 6.643 401 HB2 LEU 56 2HB LEU 56 -1.185 0.117 3.714 402 HB3 LEU 56 3HB LEU 56 0.315 -0.313 4.534 403 HG LEU 56 HG LEU 56 -2.000 -2.219 4.460 404 HD11 LEU 56 1HD1 LEU 56 -1.570 -2.936 2.363 405 HD12 LEU 56 2HD1 LEU 56 0.142 -2.523 2.451 406 HD13 LEU 56 3HD1 LEU 56 -1.054 -1.264 2.145 407 HD21 LEU 56 1HD2 LEU 56 0.425 -2.268 5.739 408 HD22 LEU 56 2HD2 LEU 56 0.744 -3.193 4.273 409 HD23 LEU 56 3HD2 LEU 56 -0.562 -3.679 5.354 410 H LEU 57 HN LEU 57 -2.200 1.900 4.380 411 HA LEU 57 HA LEU 57 -0.496 3.980 4.785 412 HB2 LEU 57 2HB LEU 57 -2.496 3.895 3.261 413 HB3 LEU 57 3HB LEU 57 -3.485 4.320 4.657 414 HG LEU 57 HG LEU 57 -1.780 6.355 4.765 415 HD11 LEU 57 1HD1 LEU 57 -1.725 6.915 2.114 416 HD12 LEU 57 2HD1 LEU 57 -1.408 5.180 2.101 417 HD13 LEU 57 3HD1 LEU 57 -0.365 6.260 3.026 418 HD21 LEU 57 1HD2 LEU 57 -4.407 6.003 4.077 419 HD22 LEU 57 2HD2 LEU 57 -3.747 6.813 2.656 420 HD23 LEU 57 3HD2 LEU 57 -3.593 7.558 4.248 421 H ALA 58 HN ALA 58 -3.294 3.158 6.809 422 HA ALA 58 HA ALA 58 -3.117 5.294 8.602 423 HB1 ALA 58 1HB ALA 58 -4.520 4.027 10.056 424 HB2 ALA 58 2HB ALA 58 -5.019 3.682 8.399 425 HB3 ALA 58 3HB ALA 58 -4.044 2.512 9.288 426 H MET 59 HN MET 59 -1.976 1.949 9.130 427 HA MET 59 HA MET 59 -0.452 2.659 11.427 428 HB2 MET 59 2HB MET 59 -1.420 0.373 10.885 429 HB3 MET 59 3HB MET 59 -0.093 0.179 9.748 430 HG2 MET 59 2HG MET 59 1.158 0.957 12.079 431 HG3 MET 59 3HG MET 59 -0.134 -0.107 12.630 432 HE1 MET 59 1HE MET 59 3.191 -0.923 9.708 433 HE2 MET 59 2HE MET 59 1.639 -1.263 8.940 434 HE3 MET 59 3HE MET 59 1.953 0.333 9.625 435 H TYR 60 HN TYR 60 0.079 3.162 8.173 436 HA TYR 60 HA TYR 60 2.843 2.656 7.924 437 HB2 TYR 60 2HB TYR 60 2.411 3.245 5.814 438 HB3 TYR 60 3HB TYR 60 0.780 3.697 6.297 439 HD1 TYR 60 1HD TYR 60 3.380 4.848 4.477 440 HD2 TYR 60 2HD TYR 60 0.957 6.105 7.740 441 HE1 TYR 60 1HE TYR 60 3.875 7.194 3.932 442 HE2 TYR 60 2HE TYR 60 1.445 8.455 7.204 443 HH TYR 60 HH TYR 60 2.972 9.800 6.041 444 H CYS 61 HN CYS 61 1.154 4.994 9.698 445 HA CYS 61 HA CYS 61 3.012 7.138 9.573 446 HB2 CYS 61 2HB CYS 61 1.554 8.212 10.922 447 HB3 CYS 61 3HB CYS 61 0.500 6.841 10.594 448 HG CYS 61 HG CYS 61 0.882 7.825 13.419 449 H ASN 62 HN ASN 62 3.251 4.087 10.916 450 HA ASN 62 HA ASN 62 5.002 4.896 13.104 451 HB2 ASN 62 2HB ASN 62 3.275 2.707 12.672 452 HB3 ASN 62 3HB ASN 62 4.908 2.047 12.698 453 HD21 ASN 62 1HD2 ASN 62 2.461 3.719 14.506 454 HD22 ASN 62 2HD2 ASN 62 3.183 3.514 16.061 455 H GLY 63 HN GLY 63 5.155 2.750 10.257 456 HA2 GLY 63 1HA GLY 63 8.084 3.148 10.262 457 HA3 GLY 63 2HA GLY 63 7.298 1.677 9.707 458 H ASN 64 HN ASN 64 8.728 2.180 7.814 459 HA ASN 64 HA ASN 64 9.103 3.027 5.720 460 HB2 ASN 64 2HB ASN 64 6.134 2.587 5.866 461 HB3 ASN 64 3HB ASN 64 6.875 3.200 4.391 462 HD21 ASN 64 1HD2 ASN 64 6.866 1.569 3.011 463 HD22 ASN 64 2HD2 ASN 64 7.461 -0.022 3.328 464 H LYS 65 HN LYS 65 6.003 4.638 5.862 465 HA LYS 65 HA LYS 65 5.401 6.822 5.667 466 HB2 LYS 65 2HB LYS 65 7.711 6.889 7.547 467 HB3 LYS 65 3HB LYS 65 7.141 8.422 6.897 468 HG2 LYS 65 2HG LYS 65 4.861 6.996 7.734 469 HG3 LYS 65 3HG LYS 65 6.062 6.852 9.019 470 HD2 LYS 65 2HD LYS 65 5.493 9.506 7.751 471 HD3 LYS 65 3HD LYS 65 4.446 8.876 9.024 472 HE2 LYS 65 2HE LYS 65 5.894 9.544 10.568 473 HE3 LYS 65 3HE LYS 65 7.154 8.550 9.837 474 HZ1 LYS 65 1HZ LYS 65 6.752 11.396 9.698 475 HZ2 LYS 65 2HZ LYS 65 7.049 10.688 8.192 476 HZ3 LYS 65 3HZ LYS 65 8.159 10.490 9.452 477 H ASP 66 HN ASP 66 7.243 5.582 3.687 478 HA ASP 66 HA ASP 66 9.039 7.607 2.782 479 HB2 ASP 66 2HB ASP 66 9.568 5.382 2.153 480 HB3 ASP 66 3HB ASP 66 7.948 5.096 1.521 481 H GLY 67 HN GLY 67 5.722 6.705 2.024 482 HA2 GLY 67 1HA GLY 67 4.567 8.969 1.373 483 HA3 GLY 67 2HA GLY 67 5.591 8.778 -0.042 484 H SER 68 HN SER 68 3.869 6.268 1.764 485 HA SER 68 HA SER 68 1.745 6.031 -0.121 486 HB2 SER 68 2HB SER 68 4.036 4.955 -1.090 487 HB3 SER 68 3HB SER 68 3.381 3.567 -0.221 488 HG SER 68 HG SER 68 1.374 4.632 -1.536 489 H LEU 69 HN LEU 69 3.655 3.700 1.787 490 HA LEU 69 HA LEU 69 1.819 3.586 3.934 491 HB2 LEU 69 2HB LEU 69 1.011 1.259 3.514 492 HB3 LEU 69 3HB LEU 69 0.329 2.492 2.455 493 HG LEU 69 HG LEU 69 1.050 0.183 1.489 494 HD11 LEU 69 1HD1 LEU 69 0.867 2.817 0.440 495 HD12 LEU 69 2HD1 LEU 69 0.561 1.281 -0.369 496 HD13 LEU 69 3HD1 LEU 69 2.181 1.977 -0.386 497 HD21 LEU 69 1HD2 LEU 69 3.353 0.168 0.659 498 HD22 LEU 69 2HD2 LEU 69 3.301 0.181 2.422 499 HD23 LEU 69 3HD2 LEU 69 3.680 1.661 1.539 500 H GLN 70 HN GLN 70 2.185 1.170 5.004 501 HA GLN 70 HA GLN 70 5.067 0.620 4.897 502 HB2 GLN 70 2HB GLN 70 4.429 2.159 6.818 503 HB3 GLN 70 3HB GLN 70 3.540 0.800 7.492 504 HG2 GLN 70 2HG GLN 70 5.929 -0.362 7.061 505 HG3 GLN 70 3HG GLN 70 6.435 1.299 7.367 506 HE21 GLN 70 1HE2 GLN 70 6.992 -0.957 9.002 507 HE22 GLN 70 2HE2 GLN 70 6.245 -0.685 10.536 508 H CYS 71 HN CYS 71 5.686 -1.480 5.552 509 HA CYS 71 HA CYS 71 3.528 -3.439 5.276 510 HB2 CYS 71 2HB CYS 71 5.291 -3.812 3.723 511 HB3 CYS 71 3HB CYS 71 6.522 -3.628 4.968 512 HA PRO 72 HA PRO 72 3.952 -3.841 9.756 513 HB2 PRO 72 2HB PRO 72 1.625 -5.204 10.067 514 HB3 PRO 72 3HB PRO 72 1.694 -3.446 9.904 515 HG2 PRO 72 2HG PRO 72 1.062 -5.517 7.836 516 HG3 PRO 72 3HG PRO 72 0.268 -3.960 8.140 517 HD2 PRO 72 2HD PRO 72 2.067 -4.312 6.147 518 HD3 PRO 72 3HD PRO 72 1.885 -2.770 7.008 519 H SER 73 HN SER 73 3.898 -6.130 7.234 520 HA SER 73 HA SER 73 3.926 -8.520 8.774 521 HB2 SER 73 2HB SER 73 4.004 -7.816 6.010 522 HB3 SER 73 3HB SER 73 5.355 -8.903 6.335 523 HG SER 73 HG SER 73 3.046 -9.725 5.853 524 H CYS 74 HN CYS 74 6.585 -7.037 6.911 525 HA CYS 74 HA CYS 74 8.447 -8.056 8.957 526 HB2 CYS 74 2HB CYS 74 10.089 -8.408 7.279 527 HB3 CYS 74 3HB CYS 74 8.593 -9.074 6.632 528 H LYS 75 HN LYS 75 6.991 -5.435 8.713 529 HA LYS 75 HA LYS 75 7.387 -3.187 8.859 530 HB2 LYS 75 2HB LYS 75 9.807 -4.327 10.264 531 HB3 LYS 75 3HB LYS 75 9.358 -2.627 10.316 532 HG2 LYS 75 2HG LYS 75 7.065 -4.112 11.023 533 HG3 LYS 75 3HG LYS 75 8.425 -4.779 11.929 534 HD2 LYS 75 2HD LYS 75 8.897 -2.143 12.234 535 HD3 LYS 75 3HD LYS 75 7.136 -2.129 12.109 536 HE2 LYS 75 2HE LYS 75 6.887 -3.526 13.982 537 HE3 LYS 75 3HE LYS 75 8.581 -4.010 13.951 538 HZ1 LYS 75 1HZ LYS 75 9.159 -1.695 14.523 539 HZ2 LYS 75 2HZ LYS 75 8.247 -2.463 15.721 540 HZ3 LYS 75 3HZ LYS 75 7.514 -1.341 14.689 541 H THR 76 HN THR 76 7.961 -3.921 6.351 542 HA THR 76 HA THR 76 10.574 -2.721 5.728 543 HB THR 76 HB THR 76 8.901 -4.768 4.355 544 HG1 THR 76 1HG THR 76 11.576 -4.368 5.103 545 HG21 THR 76 1HG2 THR 76 10.132 -4.360 2.233 546 HG22 THR 76 2HG2 THR 76 10.733 -2.848 2.914 547 HG23 THR 76 3HG2 THR 76 9.004 -3.068 2.644 Start of MODEL 14 1 H1 ASN 1 HN ASN 1 6.018 5.326 -6.132 2 HA ASN 1 HA ASN 1 4.264 4.899 -4.070 3 HB2 ASN 1 2HB ASN 1 3.266 3.169 -6.293 4 HB3 ASN 1 3HB ASN 1 2.442 3.696 -4.828 5 HD21 ASN 1 1HD2 ASN 1 2.342 6.245 -4.776 6 HD22 ASN 1 2HD2 ASN 1 1.678 6.944 -6.211 7 H TYR 2 HN TYR 2 4.298 2.659 -3.239 8 HA TYR 2 HA TYR 2 6.664 1.209 -4.231 9 HB2 TYR 2 2HB TYR 2 5.867 0.664 -1.464 10 HB3 TYR 2 3HB TYR 2 7.459 1.015 -2.130 11 HD1 TYR 2 1HD TYR 2 7.249 3.670 -3.200 12 HD2 TYR 2 2HD TYR 2 5.477 2.073 0.323 13 HE1 TYR 2 1HE TYR 2 7.160 5.928 -2.229 14 HE2 TYR 2 2HE TYR 2 5.382 4.327 1.304 15 HH TYR 2 HH TYR 2 6.160 6.457 1.099 16 H THR 3 HN THR 3 3.375 1.082 -4.029 17 HA THR 3 HA THR 3 3.390 -1.860 -4.143 18 HB THR 3 HB THR 3 1.998 -1.997 -2.415 19 HG1 THR 3 1HG THR 3 0.299 -0.187 -3.822 20 HG21 THR 3 1HG2 THR 3 3.052 0.041 -1.563 21 HG22 THR 3 2HG2 THR 3 1.346 -0.022 -1.117 22 HG23 THR 3 3HG2 THR 3 1.875 1.021 -2.436 23 H GLU 4 HN GLU 4 1.718 -2.806 -5.453 24 HA GLU 4 HA GLU 4 0.536 -0.954 -7.411 25 HB2 GLU 4 2HB GLU 4 1.915 -1.830 -8.945 26 HB3 GLU 4 3HB GLU 4 2.434 -3.108 -7.856 27 HG2 GLU 4 2HG GLU 4 0.693 -4.533 -8.520 28 HG3 GLU 4 3HG GLU 4 -0.188 -3.223 -9.305 29 H GLU 5 HN GLU 5 -1.592 -1.041 -7.130 30 HA GLU 5 HA GLU 5 -3.162 -2.707 -5.763 31 HB2 GLU 5 2HB GLU 5 -3.780 -0.691 -7.292 32 HB3 GLU 5 3HB GLU 5 -4.101 -1.926 -8.502 33 HG2 GLU 5 2HG GLU 5 -5.564 -2.998 -6.650 34 HG3 GLU 5 3HG GLU 5 -5.510 -1.392 -5.926 35 H LEU 6 HN LEU 6 -4.200 -4.665 -5.982 36 HA LEU 6 HA LEU 6 -2.997 -6.493 -7.916 37 HB2 LEU 6 2HB LEU 6 -4.805 -7.073 -5.575 38 HB3 LEU 6 3HB LEU 6 -3.952 -8.266 -6.553 39 HG LEU 6 HG LEU 6 -2.826 -6.345 -4.536 40 HD11 LEU 6 1HD1 LEU 6 -3.687 -8.896 -4.269 41 HD12 LEU 6 2HD1 LEU 6 -2.431 -8.160 -3.276 42 HD13 LEU 6 3HD1 LEU 6 -1.987 -9.156 -4.662 43 HD21 LEU 6 1HD2 LEU 6 -0.606 -7.471 -5.331 44 HD22 LEU 6 2HD2 LEU 6 -1.230 -6.048 -6.165 45 HD23 LEU 6 3HD2 LEU 6 -1.477 -7.653 -6.854 46 H LYS 7 HN LYS 7 -3.998 -6.814 -9.779 47 HA LYS 7 HA LYS 7 -6.366 -5.919 -10.679 48 HB2 LYS 7 2HB LYS 7 -5.154 -8.619 -11.294 49 HB3 LYS 7 3HB LYS 7 -6.426 -7.861 -12.243 50 HG2 LYS 7 2HG LYS 7 -3.726 -6.617 -11.778 51 HG3 LYS 7 3HG LYS 7 -4.123 -7.621 -13.175 52 HD2 LYS 7 2HD LYS 7 -6.183 -5.751 -13.031 53 HD3 LYS 7 3HD LYS 7 -4.717 -4.835 -12.675 54 HE2 LYS 7 2HE LYS 7 -4.445 -4.726 -14.891 55 HE3 LYS 7 3HE LYS 7 -3.947 -6.414 -14.785 56 HZ1 LYS 7 1HZ LYS 7 -6.506 -5.284 -15.673 57 HZ2 LYS 7 2HZ LYS 7 -6.499 -6.821 -14.966 58 HZ3 LYS 7 3HZ LYS 7 -5.583 -6.527 -16.357 59 H VAL 8 HN VAL 8 -5.923 -8.528 -8.437 60 HA VAL 8 HA VAL 8 -8.800 -8.633 -8.003 61 HB VAL 8 HB VAL 8 -8.475 -11.246 -7.851 62 HG11 VAL 8 1HG1 VAL 8 -9.798 -11.364 -9.682 63 HG12 VAL 8 2HG1 VAL 8 -9.817 -9.609 -9.501 64 HG13 VAL 8 3HG1 VAL 8 -8.722 -10.366 -10.659 65 HG21 VAL 8 1HG2 VAL 8 -6.318 -10.354 -9.742 66 HG22 VAL 8 2HG2 VAL 8 -6.196 -11.471 -8.382 67 HG23 VAL 8 3HG2 VAL 8 -7.053 -11.954 -9.846 68 HA PRO 9 HA PRO 9 -7.691 -9.069 -3.779 69 HB2 PRO 9 2HB PRO 9 -9.690 -10.641 -2.828 70 HB3 PRO 9 3HB PRO 9 -9.932 -8.950 -3.285 71 HG2 PRO 9 2HG PRO 9 -10.540 -11.438 -4.836 72 HG3 PRO 9 3HG PRO 9 -11.516 -9.970 -4.649 73 HD2 PRO 9 2HD PRO 9 -10.021 -10.454 -6.853 74 HD3 PRO 9 3HD PRO 9 -10.312 -8.815 -6.237 75 HA PRO 10 HA PRO 10 -5.297 -12.819 -3.627 76 HB2 PRO 10 2HB PRO 10 -4.167 -12.360 -1.203 77 HB3 PRO 10 3HB PRO 10 -3.644 -11.537 -2.677 78 HG2 PRO 10 2HG PRO 10 -5.464 -10.564 -0.509 79 HG3 PRO 10 3HG PRO 10 -4.165 -9.699 -1.351 80 HD2 PRO 10 2HD PRO 10 -6.778 -9.371 -1.980 81 HD3 PRO 10 3HD PRO 10 -5.483 -9.250 -3.188 82 H ASP 11 HN ASP 11 -4.714 -14.173 -1.337 83 HA ASP 11 HA ASP 11 -7.237 -14.751 0.019 84 HB2 ASP 11 2HB ASP 11 -6.933 -16.226 -2.066 85 HB3 ASP 11 3HB ASP 11 -5.633 -17.006 -1.169 86 H GLU 12 HN GLU 12 -5.205 -13.456 1.209 87 HA GLU 12 HA GLU 12 -3.880 -15.516 2.848 88 HB2 GLU 12 2HB GLU 12 -2.989 -12.752 2.048 89 HB3 GLU 12 3HB GLU 12 -2.273 -13.598 3.413 90 HG2 GLU 12 2HG GLU 12 -2.391 -14.824 0.681 91 HG3 GLU 12 3HG GLU 12 -1.082 -13.747 1.169 92 H ASP 13 HN ASP 13 -3.864 -12.158 3.709 93 HA ASP 13 HA ASP 13 -6.075 -11.686 5.160 94 HB2 ASP 13 2HB ASP 13 -6.209 -13.401 6.626 95 HB3 ASP 13 3HB ASP 13 -4.513 -13.833 6.421 96 H CYS 14 HN CYS 14 -5.924 -9.731 6.121 97 HA CYS 14 HA CYS 14 -3.782 -8.068 5.746 98 HB2 CYS 14 2HB CYS 14 -6.021 -7.276 6.366 99 HB3 CYS 14 3HB CYS 14 -5.808 -7.921 7.990 100 H ILE 15 HN ILE 15 -2.364 -7.017 7.365 101 HA ILE 15 HA ILE 15 -1.353 -8.998 9.299 102 HB ILE 15 HB ILE 15 0.542 -6.909 8.590 103 HG12 ILE 15 2HG1 ILE 15 -0.745 -8.532 6.425 104 HG13 ILE 15 3HG1 ILE 15 -0.235 -6.847 6.401 105 HG21 ILE 15 1HG2 ILE 15 0.872 -9.153 9.781 106 HG22 ILE 15 2HG2 ILE 15 0.836 -9.864 8.168 107 HG23 ILE 15 3HG2 ILE 15 2.072 -8.676 8.580 108 HD11 ILE 15 1HD1 ILE 15 1.639 -9.199 6.418 109 HD12 ILE 15 2HD1 ILE 15 1.140 -8.311 4.978 110 HD13 ILE 15 3HD1 ILE 15 2.070 -7.498 6.237 111 H ILE 16 HN ILE 16 -2.343 -5.710 8.781 112 HA ILE 16 HA ILE 16 -1.374 -4.763 11.328 113 HB ILE 16 HB ILE 16 -3.336 -3.415 9.471 114 HG12 ILE 16 2HG1 ILE 16 -0.320 -3.402 9.528 115 HG13 ILE 16 3HG1 ILE 16 -1.378 -3.796 8.177 116 HG21 ILE 16 1HG2 ILE 16 -3.046 -1.493 10.691 117 HG22 ILE 16 2HG2 ILE 16 -2.938 -2.708 11.962 118 HG23 ILE 16 3HG2 ILE 16 -1.469 -1.989 11.305 119 HD11 ILE 16 1HD1 ILE 16 -1.908 -1.568 7.789 120 HD12 ILE 16 2HD1 ILE 16 -1.369 -1.063 9.391 121 HD13 ILE 16 3HD1 ILE 16 -0.186 -1.536 8.171 122 H CYS 17 HN CYS 17 -4.670 -4.777 9.965 123 HA CYS 17 HA CYS 17 -5.870 -4.729 12.557 124 HB2 CYS 17 2HB CYS 17 -7.971 -4.752 11.408 125 HB3 CYS 17 3HB CYS 17 -6.877 -3.732 10.479 126 H MET 18 HN MET 18 -4.551 -7.190 10.684 127 HA MET 18 HA MET 18 -4.497 -9.454 10.884 128 HB2 MET 18 2HB MET 18 -5.287 -8.494 13.542 129 HB3 MET 18 3HB MET 18 -5.773 -10.150 13.212 130 HG2 MET 18 2HG MET 18 -3.110 -9.894 12.338 131 HG3 MET 18 3HG MET 18 -3.210 -9.133 13.925 132 HE1 MET 18 1HE MET 18 -2.478 -13.274 13.020 133 HE2 MET 18 2HE MET 18 -4.006 -12.945 12.203 134 HE3 MET 18 3HE MET 18 -2.617 -11.890 11.934 135 H GLU 19 HN GLU 19 -6.769 -8.118 9.613 136 HA GLU 19 HA GLU 19 -8.881 -10.117 10.071 137 HB2 GLU 19 2HB GLU 19 -9.204 -7.501 8.605 138 HB3 GLU 19 3HB GLU 19 -10.467 -8.558 9.220 139 HG2 GLU 19 2HG GLU 19 -8.529 -7.392 11.147 140 HG3 GLU 19 3HG GLU 19 -9.788 -6.358 10.477 141 H LYS 20 HN LYS 20 -10.063 -10.857 8.156 142 HA LYS 20 HA LYS 20 -8.447 -12.005 6.239 143 HB2 LYS 20 2HB LYS 20 -11.262 -11.794 6.747 144 HB3 LYS 20 3HB LYS 20 -10.972 -11.591 5.025 145 HG2 LYS 20 2HG LYS 20 -9.398 -13.731 5.570 146 HG3 LYS 20 3HG LYS 20 -10.718 -13.970 6.715 147 HD2 LYS 20 2HD LYS 20 -11.895 -14.846 5.039 148 HD3 LYS 20 3HD LYS 20 -11.957 -13.232 4.328 149 HE2 LYS 20 2HE LYS 20 -10.334 -13.694 2.799 150 HE3 LYS 20 3HE LYS 20 -9.506 -14.832 3.859 151 HZ1 LYS 20 1HZ LYS 20 -11.289 -16.431 3.443 152 HZ2 LYS 20 2HZ LYS 20 -10.511 -15.982 2.010 153 HZ3 LYS 20 3HZ LYS 20 -12.032 -15.343 2.382 154 H LEU 21 HN LEU 21 -7.719 -11.465 4.237 155 HA LEU 21 HA LEU 21 -7.437 -8.727 3.593 156 HB2 LEU 21 2HB LEU 21 -6.698 -11.310 2.353 157 HB3 LEU 21 3HB LEU 21 -6.777 -9.913 1.283 158 HG LEU 21 HG LEU 21 -5.011 -10.234 3.706 159 HD11 LEU 21 1HD1 LEU 21 -4.186 -9.838 0.847 160 HD12 LEU 21 2HD1 LEU 21 -4.447 -11.441 1.536 161 HD13 LEU 21 3HD1 LEU 21 -3.210 -10.380 2.213 162 HD21 LEU 21 1HD2 LEU 21 -4.864 -8.026 3.807 163 HD22 LEU 21 2HD2 LEU 21 -6.015 -7.866 2.479 164 HD23 LEU 21 3HD2 LEU 21 -4.288 -7.997 2.140 165 H SER 22 HN SER 22 -9.995 -10.857 3.116 166 HA SER 22 HA SER 22 -11.005 -9.399 0.780 167 HB2 SER 22 2HB SER 22 -11.068 -12.107 1.448 168 HB3 SER 22 3HB SER 22 -12.715 -11.548 1.739 169 HG SER 22 HG SER 22 -12.543 -12.152 -0.404 170 H THR 23 HN THR 23 -11.350 -9.633 4.161 171 HA THR 23 HA THR 23 -14.071 -8.654 4.250 172 HB THR 23 HB THR 23 -12.164 -8.749 6.580 173 HG1 THR 23 1HG THR 23 -13.491 -10.841 5.241 174 HG21 THR 23 1HG2 THR 23 -13.999 -7.884 7.549 175 HG22 THR 23 2HG2 THR 23 -14.654 -9.517 7.429 176 HG23 THR 23 3HG2 THR 23 -15.033 -8.322 6.190 177 H ALA 24 HN ALA 24 -12.039 -7.042 2.876 178 HA ALA 24 HA ALA 24 -11.312 -4.887 2.708 179 HB1 ALA 24 1HB ALA 24 -13.500 -3.964 4.497 180 HB2 ALA 24 2HB ALA 24 -12.959 -3.323 2.945 181 HB3 ALA 24 3HB ALA 24 -13.932 -4.793 3.001 182 H SER 25 HN SER 25 -10.876 -2.792 4.083 183 HA SER 25 HA SER 25 -9.033 -3.539 6.104 184 HB2 SER 25 2HB SER 25 -8.800 -1.532 4.620 185 HB3 SER 25 3HB SER 25 -10.103 -0.767 5.529 186 HG SER 25 HG SER 25 -8.539 -1.477 7.387 187 H GLY 26 HN GLY 26 -9.073 -3.163 8.329 188 HA2 GLY 26 1HA GLY 26 -11.715 -3.326 9.506 189 HA3 GLY 26 2HA GLY 26 -10.183 -3.493 10.349 190 H TYR 27 HN TYR 27 -9.318 -0.895 9.016 191 HA TYR 27 HA TYR 27 -10.465 0.835 11.070 192 HB2 TYR 27 2HB TYR 27 -8.116 1.283 9.217 193 HB3 TYR 27 3HB TYR 27 -8.616 2.368 10.509 194 HD1 TYR 27 1HD TYR 27 -9.283 0.204 12.553 195 HD2 TYR 27 2HD TYR 27 -5.931 0.779 9.996 196 HE1 TYR 27 1HE TYR 27 -7.867 -1.031 14.141 197 HE2 TYR 27 2HE TYR 27 -4.506 -0.456 11.576 198 HH TYR 27 HH TYR 27 -5.552 -1.275 14.740 199 H SER 28 HN SER 28 -11.357 0.017 8.097 200 HA SER 28 HA SER 28 -11.589 2.164 6.460 201 HB2 SER 28 2HB SER 28 -12.654 0.399 5.494 202 HB3 SER 28 3HB SER 28 -13.312 -0.176 7.026 203 HG SER 28 HG SER 28 -15.064 0.582 6.026 204 H ASP 29 HN ASP 29 -13.025 1.796 9.571 205 HA ASP 29 HA ASP 29 -14.749 4.133 9.152 206 HB2 ASP 29 2HB ASP 29 -15.006 1.731 10.689 207 HB3 ASP 29 3HB ASP 29 -15.049 3.112 11.782 208 H VAL 30 HN VAL 30 -12.081 2.941 11.120 209 HA VAL 30 HA VAL 30 -11.901 5.101 12.905 210 HB VAL 30 HB VAL 30 -9.785 3.198 11.903 211 HG11 VAL 30 1HG1 VAL 30 -9.618 5.318 14.034 212 HG12 VAL 30 2HG1 VAL 30 -8.486 3.969 13.911 213 HG13 VAL 30 3HG1 VAL 30 -8.607 5.144 12.600 214 HG21 VAL 30 1HG2 VAL 30 -11.303 1.969 13.164 215 HG22 VAL 30 2HG2 VAL 30 -10.067 2.405 14.345 216 HG23 VAL 30 3HG2 VAL 30 -11.590 3.294 14.293 217 H THR 31 HN THR 31 -9.684 4.440 10.189 218 HA THR 31 HA THR 31 -8.530 6.982 10.138 219 HB THR 31 HB THR 31 -7.522 6.393 8.089 220 HG1 THR 31 1HG THR 31 -9.896 4.983 7.694 221 HG21 THR 31 1HG2 THR 31 -6.378 4.736 9.041 222 HG22 THR 31 2HG2 THR 31 -7.677 3.605 8.661 223 HG23 THR 31 3HG2 THR 31 -7.695 4.491 10.186 224 H ASP 32 HN ASP 32 -8.799 7.542 7.281 225 HA ASP 32 HA ASP 32 -11.571 8.283 6.889 226 HB2 ASP 32 2HB ASP 32 -11.257 10.268 7.951 227 HB3 ASP 32 3HB ASP 32 -9.507 10.209 7.763 228 H SER 33 HN SER 33 -8.229 8.390 5.796 229 HA SER 33 HA SER 33 -8.300 9.327 3.287 230 HB2 SER 33 2HB SER 33 -7.042 6.646 3.894 231 HB3 SER 33 3HB SER 33 -6.522 7.831 2.695 232 HG SER 33 HG SER 33 -5.253 8.452 4.261 233 H LYS 34 HN LYS 34 -10.216 9.171 2.185 234 HA LYS 34 HA LYS 34 -11.430 6.590 1.689 235 HB2 LYS 34 2HB LYS 34 -13.184 8.005 1.739 236 HB3 LYS 34 3HB LYS 34 -12.184 9.404 1.370 237 HG2 LYS 34 2HG LYS 34 -12.196 8.747 -1.008 238 HG3 LYS 34 3HG LYS 34 -13.278 7.412 -0.606 239 HD2 LYS 34 2HD LYS 34 -14.867 8.927 -1.157 240 HD3 LYS 34 3HD LYS 34 -14.633 9.438 0.518 241 HE2 LYS 34 2HE LYS 34 -12.725 10.678 -1.281 242 HE3 LYS 34 3HE LYS 34 -14.391 11.018 -1.748 243 HZ1 LYS 34 1HZ LYS 34 -13.106 11.573 0.865 244 HZ2 LYS 34 2HZ LYS 34 -14.773 11.690 0.609 245 HZ3 LYS 34 3HZ LYS 34 -13.715 12.697 -0.243 246 H ALA 35 HN ALA 35 -9.011 8.468 0.274 247 HA ALA 35 HA ALA 35 -9.292 8.196 -2.439 248 HB1 ALA 35 1HB ALA 35 -6.787 7.952 -0.782 249 HB2 ALA 35 2HB ALA 35 -6.805 8.124 -2.538 250 HB3 ALA 35 3HB ALA 35 -7.446 9.412 -1.519 251 H LEU 36 HN LEU 36 -7.905 5.803 -0.200 252 HA LEU 36 HA LEU 36 -7.480 3.846 -2.231 253 HB2 LEU 36 2HB LEU 36 -7.664 3.460 0.752 254 HB3 LEU 36 3HB LEU 36 -6.960 2.338 -0.409 255 HG LEU 36 HG LEU 36 -5.849 5.100 0.002 256 HD11 LEU 36 1HD1 LEU 36 -4.133 3.887 1.436 257 HD12 LEU 36 2HD1 LEU 36 -5.326 2.596 1.573 258 HD13 LEU 36 3HD1 LEU 36 -5.704 4.212 2.168 259 HD21 LEU 36 1HD2 LEU 36 -4.237 4.471 -1.413 260 HD22 LEU 36 2HD2 LEU 36 -5.341 3.180 -1.886 261 HD23 LEU 36 3HD2 LEU 36 -4.090 2.872 -0.681 262 H GLY 37 HN GLY 37 -10.091 4.598 -0.022 263 HA2 GLY 37 1HA GLY 37 -12.303 3.936 -0.112 264 HA3 GLY 37 2HA GLY 37 -11.922 3.004 -1.551 265 H SER 38 HN SER 38 -9.844 2.299 1.013 266 HA SER 38 HA SER 38 -9.482 0.250 2.008 267 HB2 SER 38 2HB SER 38 -11.471 -0.243 3.627 268 HB3 SER 38 3HB SER 38 -10.527 1.231 3.847 269 HG SER 38 HG SER 38 -13.087 0.932 2.689 270 H LEU 39 HN LEU 39 -9.549 -0.954 -0.010 271 HA LEU 39 HA LEU 39 -11.093 -3.256 0.123 272 HB2 LEU 39 2HB LEU 39 -12.679 -1.221 -0.730 273 HB3 LEU 39 3HB LEU 39 -12.095 -1.866 -2.263 274 HG LEU 39 HG LEU 39 -13.032 -4.030 -1.765 275 HD11 LEU 39 1HD1 LEU 39 -13.606 -2.815 0.917 276 HD12 LEU 39 2HD1 LEU 39 -12.744 -4.306 0.541 277 HD13 LEU 39 3HD1 LEU 39 -14.491 -4.217 0.317 278 HD21 LEU 39 1HD2 LEU 39 -15.495 -3.122 -1.235 279 HD22 LEU 39 2HD2 LEU 39 -14.717 -2.939 -2.808 280 HD23 LEU 39 3HD2 LEU 39 -14.710 -1.600 -1.659 281 H ALA 40 HN ALA 40 -9.249 -1.006 -1.783 282 HA ALA 40 HA ALA 40 -8.572 -2.917 -3.832 283 HB1 ALA 40 1HB ALA 40 -8.703 -0.540 -4.360 284 HB2 ALA 40 2HB ALA 40 -7.390 -0.208 -3.230 285 HB3 ALA 40 3HB ALA 40 -7.086 -1.170 -4.676 286 H VAL 41 HN VAL 41 -7.330 -4.597 -3.291 287 HA VAL 41 HA VAL 41 -5.404 -4.500 -1.177 288 HB VAL 41 HB VAL 41 -5.490 -6.657 -3.263 289 HG11 VAL 41 1HG1 VAL 41 -5.130 -7.977 -1.035 290 HG12 VAL 41 2HG1 VAL 41 -3.782 -7.131 -1.796 291 HG13 VAL 41 3HG1 VAL 41 -4.617 -6.405 -0.422 292 HG21 VAL 41 1HG2 VAL 41 -7.633 -5.856 -1.457 293 HG22 VAL 41 2HG2 VAL 41 -7.668 -6.948 -2.842 294 HG23 VAL 41 3HG2 VAL 41 -7.153 -7.543 -1.265 295 H GLY 42 HN GLY 42 -3.414 -3.710 -1.305 296 HA2 GLY 42 1HA GLY 42 -2.067 -3.750 -3.936 297 HA3 GLY 42 2HA GLY 42 -1.938 -2.390 -2.830 298 H HIS 43 HN HIS 43 -0.093 -4.620 -4.029 299 HA HIS 43 HA HIS 43 1.152 -5.434 -1.491 300 HB2 HIS 43 2HB HIS 43 2.066 -7.290 -2.576 301 HB3 HIS 43 3HB HIS 43 0.475 -7.143 -3.315 302 HD1 HIS 43 1HD HIS 43 3.825 -7.750 -4.232 303 HD2 HIS 43 2HD HIS 43 0.770 -5.440 -5.843 304 HE1 HIS 43 1HE HIS 43 4.469 -7.364 -6.632 305 H LEU 44 HN LEU 44 2.948 -4.442 -0.868 306 HA LEU 44 HA LEU 44 4.153 -2.376 -2.348 307 HB2 LEU 44 2HB LEU 44 4.270 -3.334 0.256 308 HB3 LEU 44 3HB LEU 44 5.908 -3.541 -0.359 309 HG LEU 44 HG LEU 44 4.759 -0.904 -0.906 310 HD11 LEU 44 1HD1 LEU 44 5.397 -1.612 1.949 311 HD12 LEU 44 2HD1 LEU 44 3.758 -1.463 1.317 312 HD13 LEU 44 3HD1 LEU 44 4.833 -0.064 1.320 313 HD21 LEU 44 1HD2 LEU 44 7.081 -1.402 -1.332 314 HD22 LEU 44 2HD2 LEU 44 7.319 -1.896 0.344 315 HD23 LEU 44 3HD2 LEU 44 6.968 -0.209 -0.038 316 H THR 45 HN THR 45 4.878 -3.023 -4.339 317 HA THR 45 HA THR 45 6.116 -5.249 -5.195 318 HB THR 45 HB THR 45 5.912 -3.739 -6.904 319 HG1 THR 45 1HG THR 45 8.613 -3.197 -6.182 320 HG21 THR 45 1HG2 THR 45 7.048 -1.671 -5.026 321 HG22 THR 45 2HG2 THR 45 5.407 -1.769 -5.663 322 HG23 THR 45 3HG2 THR 45 6.746 -1.363 -6.736 323 H LYS 46 HN LYS 46 7.447 -2.935 -2.987 324 HA LYS 46 HA LYS 46 10.167 -3.393 -3.205 325 HB2 LYS 46 2HB LYS 46 9.030 -1.704 -1.726 326 HB3 LYS 46 3HB LYS 46 8.681 -3.012 -0.603 327 HG2 LYS 46 2HG LYS 46 10.625 -1.803 0.135 328 HG3 LYS 46 3HG LYS 46 11.096 -3.427 -0.372 329 HD2 LYS 46 2HD LYS 46 11.282 -1.823 -2.664 330 HD3 LYS 46 3HD LYS 46 11.991 -0.875 -1.355 331 HE2 LYS 46 2HE LYS 46 13.848 -2.051 -1.830 332 HE3 LYS 46 3HE LYS 46 13.074 -3.310 -0.871 333 HZ1 LYS 46 1HZ LYS 46 12.362 -4.422 -2.782 334 HZ2 LYS 46 2HZ LYS 46 13.951 -3.964 -3.139 335 HZ3 LYS 46 3HZ LYS 46 12.654 -3.094 -3.791 336 H CYS 47 HN CYS 47 7.831 -5.124 -1.149 337 HA CYS 47 HA CYS 47 9.752 -7.356 -1.018 338 HB2 CYS 47 2HB CYS 47 8.994 -7.874 1.195 339 HB3 CYS 47 3HB CYS 47 9.377 -6.156 1.159 340 H SER 48 HN SER 48 6.397 -6.375 -1.328 341 HA SER 48 HA SER 48 4.640 -7.406 -2.364 342 HB2 SER 48 2HB SER 48 6.397 -9.804 -2.876 343 HB3 SER 48 3HB SER 48 4.977 -9.280 -3.780 344 HG SER 48 HG SER 48 7.590 -8.471 -3.985 345 H HIS 49 HN HIS 49 3.945 -7.426 -0.078 346 HA HIS 49 HA HIS 49 3.755 -10.173 0.972 347 HB2 HIS 49 2HB HIS 49 3.879 -7.519 2.390 348 HB3 HIS 49 3HB HIS 49 3.259 -8.963 3.186 349 HD2 HIS 49 2HD HIS 49 6.212 -9.872 0.985 350 HE1 HIS 49 1HE HIS 49 7.766 -9.251 4.883 351 HE2 HIS 49 2HE HIS 49 8.265 -10.050 2.547 352 H ALA 50 HN ALA 50 2.040 -7.330 -0.012 353 HA ALA 50 HA ALA 50 -0.166 -6.997 -0.492 354 HB1 ALA 50 1HB ALA 50 -1.144 -8.802 -1.327 355 HB2 ALA 50 2HB ALA 50 0.127 -9.794 -0.612 356 HB3 ALA 50 3HB ALA 50 -1.356 -9.476 0.290 357 H PHE 51 HN PHE 51 -1.927 -6.221 0.622 358 HA PHE 51 HA PHE 51 -2.815 -7.075 3.131 359 HB2 PHE 51 2HB PHE 51 -1.779 -4.609 4.003 360 HB3 PHE 51 3HB PHE 51 -1.324 -6.216 4.559 361 HD1 PHE 51 1HD PHE 51 -0.696 -4.506 1.313 362 HD2 PHE 51 2HD PHE 51 0.964 -6.187 4.853 363 HE1 PHE 51 1HE PHE 51 1.566 -4.171 0.407 364 HE2 PHE 51 2HE PHE 51 3.229 -5.855 3.952 365 HZ PHE 51 HZ PHE 51 3.533 -4.846 1.727 366 H HIS 52 HN HIS 52 -3.740 -4.794 4.300 367 HA HIS 52 HA HIS 52 -5.700 -3.917 2.352 368 HB2 HIS 52 2HB HIS 52 -5.427 -3.591 5.332 369 HB3 HIS 52 3HB HIS 52 -6.640 -2.702 4.416 370 HD2 HIS 52 2HD HIS 52 -7.226 -5.526 2.495 371 HE1 HIS 52 1HE HIS 52 -8.810 -6.844 6.204 372 HE2 HIS 52 2HE HIS 52 -8.664 -7.286 3.729 373 H LEU 53 HN LEU 53 -4.705 -2.482 0.986 374 HA LEU 53 HA LEU 53 -2.828 -0.616 1.322 375 HB2 LEU 53 2HB LEU 53 -5.397 -0.505 -0.196 376 HB3 LEU 53 3HB LEU 53 -4.341 0.906 -0.167 377 HG LEU 53 HG LEU 53 -3.818 -1.801 -1.362 378 HD11 LEU 53 1HD1 LEU 53 -4.945 -0.230 -2.795 379 HD12 LEU 53 2HD1 LEU 53 -3.279 -0.421 -3.339 380 HD13 LEU 53 3HD1 LEU 53 -3.750 1.016 -2.432 381 HD21 LEU 53 1HD2 LEU 53 -1.896 0.156 -0.270 382 HD22 LEU 53 2HD2 LEU 53 -1.544 -0.468 -1.882 383 HD23 LEU 53 3HD2 LEU 53 -1.730 -1.581 -0.527 384 H LEU 54 HN LEU 54 -6.039 -0.466 2.679 385 HA LEU 54 HA LEU 54 -5.973 2.264 3.456 386 HB2 LEU 54 2HB LEU 54 -8.012 0.805 3.244 387 HB3 LEU 54 3HB LEU 54 -7.537 0.050 4.765 388 HG LEU 54 HG LEU 54 -9.165 1.592 5.385 389 HD11 LEU 54 1HD1 LEU 54 -7.041 1.767 6.680 390 HD12 LEU 54 2HD1 LEU 54 -8.041 3.220 6.720 391 HD13 LEU 54 3HD1 LEU 54 -6.612 3.160 5.687 392 HD21 LEU 54 1HD2 LEU 54 -9.788 3.237 4.036 393 HD22 LEU 54 2HD2 LEU 54 -8.381 2.934 3.016 394 HD23 LEU 54 3HD2 LEU 54 -8.273 4.086 4.348 395 H CYS 55 HN CYS 55 -5.713 -0.680 5.460 396 HA CYS 55 HA CYS 55 -4.964 0.495 7.830 397 HB2 CYS 55 2HB CYS 55 -4.086 -2.157 6.672 398 HB3 CYS 55 3HB CYS 55 -3.818 -1.678 8.344 399 H LEU 56 HN LEU 56 -2.666 -0.966 5.521 400 HA LEU 56 HA LEU 56 -0.295 -0.253 6.587 401 HB2 LEU 56 2HB LEU 56 -0.970 0.068 3.666 402 HB3 LEU 56 3HB LEU 56 0.637 -0.167 4.352 403 HG LEU 56 HG LEU 56 0.313 -2.308 3.769 404 HD11 LEU 56 1HD1 LEU 56 -1.643 -2.478 6.037 405 HD12 LEU 56 2HD1 LEU 56 0.074 -2.180 6.306 406 HD13 LEU 56 3HD1 LEU 56 -0.450 -3.666 5.515 407 HD21 LEU 56 1HD2 LEU 56 -1.485 -2.855 2.591 408 HD22 LEU 56 2HD2 LEU 56 -2.221 -1.326 3.071 409 HD23 LEU 56 3HD2 LEU 56 -2.503 -2.780 4.028 410 H LEU 57 HN LEU 57 -2.214 1.861 4.454 411 HA LEU 57 HA LEU 57 -0.638 4.078 4.341 412 HB2 LEU 57 2HB LEU 57 -3.198 3.507 3.642 413 HB3 LEU 57 3HB LEU 57 -3.454 4.682 4.930 414 HG LEU 57 HG LEU 57 -2.214 5.054 2.240 415 HD11 LEU 57 1HD1 LEU 57 -3.570 7.279 2.736 416 HD12 LEU 57 2HD1 LEU 57 -4.420 6.208 3.849 417 HD13 LEU 57 3HD1 LEU 57 -4.350 5.818 2.130 418 HD21 LEU 57 1HD2 LEU 57 -1.262 6.229 4.740 419 HD22 LEU 57 2HD2 LEU 57 -1.706 7.420 3.517 420 HD23 LEU 57 3HD2 LEU 57 -0.506 6.180 3.147 421 H ALA 58 HN ALA 58 -3.096 3.503 6.863 422 HA ALA 58 HA ALA 58 -2.474 5.718 8.447 423 HB1 ALA 58 1HB ALA 58 -4.245 4.971 9.551 424 HB2 ALA 58 2HB ALA 58 -4.201 3.480 8.607 425 HB3 ALA 58 3HB ALA 58 -3.319 3.586 10.131 426 H MET 59 HN MET 59 -1.445 2.328 8.892 427 HA MET 59 HA MET 59 0.315 2.863 11.027 428 HB2 MET 59 2HB MET 59 -0.662 0.610 10.224 429 HB3 MET 59 3HB MET 59 0.691 0.585 9.100 430 HG2 MET 59 2HG MET 59 1.833 1.175 11.562 431 HG3 MET 59 3HG MET 59 0.613 -0.048 11.910 432 HE1 MET 59 1HE MET 59 4.064 -0.183 9.036 433 HE2 MET 59 2HE MET 59 2.585 -0.599 8.171 434 HE3 MET 59 3HE MET 59 2.698 0.931 9.042 435 H TYR 60 HN TYR 60 0.579 3.476 7.696 436 HA TYR 60 HA TYR 60 3.402 3.254 7.413 437 HB2 TYR 60 2HB TYR 60 2.761 3.449 5.280 438 HB3 TYR 60 3HB TYR 60 1.161 3.998 5.766 439 HD1 TYR 60 1HD TYR 60 1.254 6.561 6.716 440 HD2 TYR 60 2HD TYR 60 3.884 4.848 3.843 441 HE1 TYR 60 1HE TYR 60 1.756 8.806 5.846 442 HE2 TYR 60 2HE TYR 60 4.394 7.088 2.966 443 HH TYR 60 HH TYR 60 2.767 9.556 3.168 444 H CYS 61 HN CYS 61 1.417 5.489 8.999 445 HA CYS 61 HA CYS 61 2.790 7.899 8.625 446 HB2 CYS 61 2HB CYS 61 1.730 8.636 10.696 447 HB3 CYS 61 3HB CYS 61 0.583 7.737 9.711 448 HG CYS 61 HG CYS 61 0.777 7.336 12.731 449 H ASN 62 HN ASN 62 3.874 5.056 10.017 450 HA ASN 62 HA ASN 62 5.681 6.333 11.908 451 HB2 ASN 62 2HB ASN 62 4.425 3.920 11.964 452 HB3 ASN 62 3HB ASN 62 6.005 3.454 11.339 453 HD21 ASN 62 1HD2 ASN 62 4.203 4.369 14.069 454 HD22 ASN 62 2HD2 ASN 62 5.497 4.378 15.213 455 H GLY 63 HN GLY 63 5.863 4.388 8.937 456 HA2 GLY 63 1HA GLY 63 8.463 5.635 8.381 457 HA3 GLY 63 2HA GLY 63 8.357 3.881 8.376 458 H ASN 64 HN ASN 64 9.220 4.523 6.122 459 HA ASN 64 HA ASN 64 8.910 4.741 3.869 460 HB2 ASN 64 2HB ASN 64 7.398 2.644 4.801 461 HB3 ASN 64 3HB ASN 64 6.217 3.572 3.882 462 HD21 ASN 64 1HD2 ASN 64 7.228 0.969 3.275 463 HD22 ASN 64 2HD2 ASN 64 8.015 1.073 1.741 464 H LYS 65 HN LYS 65 8.424 7.113 4.903 465 HA LYS 65 HA LYS 65 5.788 8.031 4.047 466 HB2 LYS 65 2HB LYS 65 7.781 8.928 5.953 467 HB3 LYS 65 3HB LYS 65 7.270 10.240 4.900 468 HG2 LYS 65 2HG LYS 65 5.442 10.493 6.113 469 HG3 LYS 65 3HG LYS 65 4.944 8.849 5.707 470 HD2 LYS 65 2HD LYS 65 5.064 8.532 7.935 471 HD3 LYS 65 3HD LYS 65 6.793 8.354 7.620 472 HE2 LYS 65 2HE LYS 65 5.703 11.084 8.083 473 HE3 LYS 65 3HE LYS 65 5.887 10.008 9.468 474 HZ1 LYS 65 1HZ LYS 65 7.938 10.924 9.463 475 HZ2 LYS 65 2HZ LYS 65 7.925 11.262 7.805 476 HZ3 LYS 65 3HZ LYS 65 8.250 9.693 8.345 477 H ASP 66 HN ASP 66 5.637 8.355 1.916 478 HA ASP 66 HA ASP 66 7.220 10.385 0.673 479 HB2 ASP 66 2HB ASP 66 8.122 7.682 0.436 480 HB3 ASP 66 3HB ASP 66 7.535 8.214 -1.137 481 H GLY 67 HN GLY 67 4.908 7.747 0.327 482 HA2 GLY 67 1HA GLY 67 2.745 9.014 -0.567 483 HA3 GLY 67 2HA GLY 67 3.718 8.979 -2.030 484 H SER 68 HN SER 68 2.377 6.869 0.491 485 HA SER 68 HA SER 68 1.052 5.113 -1.132 486 HB2 SER 68 2HB SER 68 3.965 4.608 -1.102 487 HB3 SER 68 3HB SER 68 2.948 3.192 -0.838 488 HG SER 68 HG SER 68 1.963 3.546 -2.793 489 H LEU 69 HN LEU 69 3.428 3.654 0.960 490 HA LEU 69 HA LEU 69 2.181 3.897 3.434 491 HB2 LEU 69 2HB LEU 69 1.106 1.653 3.598 492 HB3 LEU 69 3HB LEU 69 0.265 2.805 2.561 493 HG LEU 69 HG LEU 69 0.516 0.320 1.826 494 HD11 LEU 69 1HD1 LEU 69 -0.045 2.633 0.526 495 HD12 LEU 69 2HD1 LEU 69 -0.101 1.031 -0.209 496 HD13 LEU 69 3HD1 LEU 69 1.331 2.041 -0.406 497 HD21 LEU 69 1HD2 LEU 69 2.500 -0.133 0.513 498 HD22 LEU 69 2HD2 LEU 69 2.951 0.233 2.178 499 HD23 LEU 69 3HD2 LEU 69 3.162 1.451 0.918 500 H GLN 70 HN GLN 70 2.633 1.596 4.716 501 HA GLN 70 HA GLN 70 5.361 0.780 3.978 502 HB2 GLN 70 2HB GLN 70 5.656 2.367 5.739 503 HB3 GLN 70 3HB GLN 70 4.361 1.649 6.688 504 HG2 GLN 70 2HG GLN 70 6.070 0.698 7.787 505 HG3 GLN 70 3HG GLN 70 5.986 -0.471 6.471 506 HE21 GLN 70 1HE2 GLN 70 7.746 -0.794 5.291 507 HE22 GLN 70 2HE2 GLN 70 9.162 0.194 5.307 508 H CYS 71 HN CYS 71 5.911 -1.334 4.401 509 HA CYS 71 HA CYS 71 3.726 -3.174 4.657 510 HB2 CYS 71 2HB CYS 71 5.428 -3.846 3.162 511 HB3 CYS 71 3HB CYS 71 6.702 -3.498 4.327 512 HA PRO 72 HA PRO 72 4.040 -3.210 9.133 513 HB2 PRO 72 2HB PRO 72 1.844 -4.762 9.508 514 HB3 PRO 72 3HB PRO 72 1.749 -3.032 9.161 515 HG2 PRO 72 2HG PRO 72 1.414 -5.357 7.306 516 HG3 PRO 72 3HG PRO 72 0.459 -3.866 7.416 517 HD2 PRO 72 2HD PRO 72 2.370 -4.238 5.534 518 HD3 PRO 72 3HD PRO 72 2.001 -2.641 6.218 519 H SER 73 HN SER 73 4.424 -5.692 6.868 520 HA SER 73 HA SER 73 4.685 -7.856 8.760 521 HB2 SER 73 2HB SER 73 4.483 -7.595 5.906 522 HB3 SER 73 3HB SER 73 5.897 -8.570 6.306 523 HG SER 73 HG SER 73 4.637 -10.062 7.216 524 H CYS 74 HN CYS 74 7.052 -7.047 6.267 525 HA CYS 74 HA CYS 74 9.172 -7.360 8.266 526 HB2 CYS 74 2HB CYS 74 10.661 -7.809 6.435 527 HB3 CYS 74 3HB CYS 74 9.206 -8.768 6.194 528 H LYS 75 HN LYS 75 7.640 -4.932 8.145 529 HA LYS 75 HA LYS 75 7.832 -2.657 7.812 530 HB2 LYS 75 2HB LYS 75 10.350 -3.608 9.130 531 HB3 LYS 75 3HB LYS 75 10.159 -1.901 8.749 532 HG2 LYS 75 2HG LYS 75 9.256 -1.804 10.796 533 HG3 LYS 75 3HG LYS 75 7.807 -2.394 9.980 534 HD2 LYS 75 2HD LYS 75 8.049 -4.526 10.800 535 HD3 LYS 75 3HD LYS 75 9.799 -4.375 10.975 536 HE2 LYS 75 2HE LYS 75 8.745 -2.460 12.696 537 HE3 LYS 75 3HE LYS 75 7.695 -3.862 12.894 538 HZ1 LYS 75 1HZ LYS 75 10.596 -4.278 12.899 539 HZ2 LYS 75 2HZ LYS 75 9.384 -5.130 13.717 540 HZ3 LYS 75 3HZ LYS 75 9.880 -3.613 14.280 541 H THR 76 HN THR 76 8.231 -3.893 5.379 542 HA THR 76 HA THR 76 10.658 -2.874 4.178 543 HB THR 76 HB THR 76 8.672 -4.828 3.468 544 HG1 THR 76 1HG THR 76 11.157 -4.123 2.254 545 HG21 THR 76 1HG2 THR 76 9.380 -2.887 1.264 546 HG22 THR 76 2HG2 THR 76 7.791 -3.023 2.020 547 HG23 THR 76 3HG2 THR 76 8.448 -4.375 1.098 Start of MODEL 15 1 H1 ASN 1 HN ASN 1 0.985 4.028 -6.765 2 HA ASN 1 HA ASN 1 3.004 4.927 -5.991 3 HB2 ASN 1 2HB ASN 1 1.497 4.216 -3.463 4 HB3 ASN 1 3HB ASN 1 2.708 5.484 -3.626 5 HD21 ASN 1 1HD2 ASN 1 2.119 7.438 -4.366 6 HD22 ASN 1 2HD2 ASN 1 0.516 7.855 -4.856 7 H TYR 2 HN TYR 2 2.353 2.520 -3.455 8 HA TYR 2 HA TYR 2 5.176 1.795 -3.469 9 HB2 TYR 2 2HB TYR 2 2.929 1.548 -1.550 10 HB3 TYR 2 3HB TYR 2 4.149 0.281 -1.494 11 HD1 TYR 2 1HD TYR 2 5.241 3.567 -2.549 12 HD2 TYR 2 2HD TYR 2 4.655 1.040 0.824 13 HE1 TYR 2 1HE TYR 2 6.692 5.031 -1.208 14 HE2 TYR 2 2HE TYR 2 6.105 2.499 2.175 15 HH TYR 2 HH TYR 2 7.738 4.148 1.993 16 H THR 3 HN THR 3 2.067 0.502 -4.338 17 HA THR 3 HA THR 3 3.388 -1.811 -5.536 18 HB THR 3 HB THR 3 2.651 -3.243 -3.993 19 HG1 THR 3 1HG THR 3 0.047 -2.373 -4.769 20 HG21 THR 3 1HG2 THR 3 0.767 -1.171 -2.872 21 HG22 THR 3 2HG2 THR 3 2.476 -1.270 -2.452 22 HG23 THR 3 3HG2 THR 3 1.393 -2.605 -2.061 23 H GLU 4 HN GLU 4 1.632 -3.132 -6.792 24 HA GLU 4 HA GLU 4 -0.029 -1.178 -8.239 25 HB2 GLU 4 2HB GLU 4 1.441 -1.936 -9.845 26 HB3 GLU 4 3HB GLU 4 1.570 -3.535 -9.126 27 HG2 GLU 4 2HG GLU 4 -0.313 -4.311 -10.165 28 HG3 GLU 4 3HG GLU 4 -1.030 -2.707 -10.307 29 H GLU 5 HN GLU 5 -2.140 -1.364 -7.947 30 HA GLU 5 HA GLU 5 -3.545 -3.028 -6.406 31 HB2 GLU 5 2HB GLU 5 -4.263 -1.128 -8.173 32 HB3 GLU 5 3HB GLU 5 -4.849 -2.551 -9.025 33 HG2 GLU 5 2HG GLU 5 -6.037 -3.176 -6.878 34 HG3 GLU 5 3HG GLU 5 -5.656 -1.549 -6.315 35 H LEU 6 HN LEU 6 -4.207 -5.095 -6.331 36 HA LEU 6 HA LEU 6 -3.152 -6.936 -8.289 37 HB2 LEU 6 2HB LEU 6 -4.914 -7.597 -5.945 38 HB3 LEU 6 3HB LEU 6 -3.800 -8.664 -6.798 39 HG LEU 6 HG LEU 6 -3.259 -6.639 -4.690 40 HD11 LEU 6 1HD1 LEU 6 -2.008 -8.343 -3.722 41 HD12 LEU 6 2HD1 LEU 6 -1.802 -9.195 -5.252 42 HD13 LEU 6 3HD1 LEU 6 -3.370 -9.196 -4.446 43 HD21 LEU 6 1HD2 LEU 6 -0.769 -6.983 -5.513 44 HD22 LEU 6 2HD2 LEU 6 -1.769 -5.658 -6.109 45 HD23 LEU 6 3HD2 LEU 6 -1.564 -7.115 -7.082 46 H LYS 7 HN LYS 7 -6.191 -5.462 -7.533 47 HA LYS 7 HA LYS 7 -8.080 -5.350 -8.848 48 HB2 LYS 7 2HB LYS 7 -6.318 -6.430 -10.626 49 HB3 LYS 7 3HB LYS 7 -7.503 -7.724 -10.496 50 HG2 LYS 7 2HG LYS 7 -8.972 -5.348 -10.759 51 HG3 LYS 7 3HG LYS 7 -7.660 -5.257 -11.938 52 HD2 LYS 7 2HD LYS 7 -8.314 -7.309 -12.946 53 HD3 LYS 7 3HD LYS 7 -9.437 -7.671 -11.634 54 HE2 LYS 7 2HE LYS 7 -10.822 -5.772 -12.285 55 HE3 LYS 7 3HE LYS 7 -9.687 -5.373 -13.574 56 HZ1 LYS 7 1HZ LYS 7 -11.668 -6.629 -14.321 57 HZ2 LYS 7 2HZ LYS 7 -11.153 -7.947 -13.396 58 HZ3 LYS 7 3HZ LYS 7 -10.207 -7.400 -14.688 59 H VAL 8 HN VAL 8 -6.834 -8.446 -7.771 60 HA VAL 8 HA VAL 8 -9.544 -9.152 -6.873 61 HB VAL 8 HB VAL 8 -7.808 -10.672 -8.675 62 HG11 VAL 8 1HG1 VAL 8 -8.641 -12.866 -7.634 63 HG12 VAL 8 2HG1 VAL 8 -7.259 -12.065 -6.882 64 HG13 VAL 8 3HG1 VAL 8 -8.863 -11.922 -6.162 65 HG21 VAL 8 1HG2 VAL 8 -10.671 -11.209 -7.943 66 HG22 VAL 8 2HG2 VAL 8 -10.213 -9.874 -9.001 67 HG23 VAL 8 3HG2 VAL 8 -9.843 -11.535 -9.466 68 HA PRO 9 HA PRO 9 -7.625 -9.787 -2.962 69 HB2 PRO 9 2HB PRO 9 -9.466 -11.436 -1.839 70 HB3 PRO 9 3HB PRO 9 -9.743 -9.707 -2.077 71 HG2 PRO 9 2HG PRO 9 -10.666 -12.021 -3.737 72 HG3 PRO 9 3HG PRO 9 -11.562 -10.574 -3.239 73 HD2 PRO 9 2HD PRO 9 -10.480 -10.838 -5.707 74 HD3 PRO 9 3HD PRO 9 -10.622 -9.269 -4.890 75 HA PRO 10 HA PRO 10 -5.473 -13.630 -3.987 76 HB2 PRO 10 2HB PRO 10 -3.312 -13.091 -2.434 77 HB3 PRO 10 3HB PRO 10 -3.531 -12.403 -4.047 78 HG2 PRO 10 2HG PRO 10 -4.073 -11.171 -1.373 79 HG3 PRO 10 3HG PRO 10 -3.306 -10.453 -2.801 80 HD2 PRO 10 2HD PRO 10 -5.894 -9.992 -2.149 81 HD3 PRO 10 3HD PRO 10 -5.326 -10.035 -3.831 82 H ASP 11 HN ASP 11 -3.925 -14.890 -2.150 83 HA ASP 11 HA ASP 11 -5.875 -15.612 -0.073 84 HB2 ASP 11 2HB ASP 11 -4.989 -17.316 -1.808 85 HB3 ASP 11 3HB ASP 11 -3.507 -17.292 -0.858 86 H GLU 12 HN GLU 12 -4.095 -13.346 0.173 87 HA GLU 12 HA GLU 12 -2.155 -14.238 2.177 88 HB2 GLU 12 2HB GLU 12 -2.548 -11.598 0.769 89 HB3 GLU 12 3HB GLU 12 -1.402 -11.826 2.082 90 HG2 GLU 12 2HG GLU 12 -1.341 -12.917 -0.692 91 HG3 GLU 12 3HG GLU 12 -0.084 -12.070 0.209 92 H ASP 13 HN ASP 13 -4.997 -12.193 1.793 93 HA ASP 13 HA ASP 13 -6.450 -11.293 3.294 94 HB2 ASP 13 2HB ASP 13 -5.221 -13.237 5.259 95 HB3 ASP 13 3HB ASP 13 -6.789 -12.446 5.402 96 H CYS 14 HN CYS 14 -6.413 -9.417 4.365 97 HA CYS 14 HA CYS 14 -4.180 -7.950 4.863 98 HB2 CYS 14 2HB CYS 14 -6.498 -7.069 4.917 99 HB3 CYS 14 3HB CYS 14 -6.724 -7.817 6.495 100 H ILE 15 HN ILE 15 -3.183 -7.227 6.892 101 HA ILE 15 HA ILE 15 -3.014 -9.413 8.862 102 HB ILE 15 HB ILE 15 -0.688 -7.644 8.737 103 HG12 ILE 15 2HG1 ILE 15 -1.165 -9.526 6.420 104 HG13 ILE 15 3HG1 ILE 15 -1.367 -7.781 6.318 105 HG21 ILE 15 1HG2 ILE 15 0.486 -9.823 8.801 106 HG22 ILE 15 2HG2 ILE 15 -0.704 -9.637 10.088 107 HG23 ILE 15 3HG2 ILE 15 -1.075 -10.632 8.680 108 HD11 ILE 15 1HD1 ILE 15 0.790 -8.568 5.437 109 HD12 ILE 15 2HD1 ILE 15 0.967 -7.442 6.782 110 HD13 ILE 15 3HD1 ILE 15 1.200 -9.170 7.042 111 H ILE 16 HN ILE 16 -3.508 -6.067 8.304 112 HA ILE 16 HA ILE 16 -2.908 -5.174 10.962 113 HB ILE 16 HB ILE 16 -4.642 -3.749 8.953 114 HG12 ILE 16 2HG1 ILE 16 -1.969 -4.540 8.590 115 HG13 ILE 16 3HG1 ILE 16 -2.876 -3.377 7.630 116 HG21 ILE 16 1HG2 ILE 16 -3.856 -1.743 10.099 117 HG22 ILE 16 2HG2 ILE 16 -4.657 -2.844 11.219 118 HG23 ILE 16 3HG2 ILE 16 -2.896 -2.738 11.194 119 HD11 ILE 16 1HD1 ILE 16 -1.227 -2.741 10.065 120 HD12 ILE 16 2HD1 ILE 16 -0.763 -2.453 8.388 121 HD13 ILE 16 3HD1 ILE 16 -2.125 -1.579 9.088 122 H CYS 17 HN CYS 17 -6.007 -5.186 9.191 123 HA CYS 17 HA CYS 17 -7.484 -5.178 11.668 124 HB2 CYS 17 2HB CYS 17 -9.459 -5.024 10.280 125 HB3 CYS 17 3HB CYS 17 -8.239 -3.915 9.662 126 H MET 18 HN MET 18 -5.971 -7.551 9.959 127 HA MET 18 HA MET 18 -6.111 -9.820 9.870 128 HB2 MET 18 2HB MET 18 -7.924 -10.034 12.184 129 HB3 MET 18 3HB MET 18 -6.360 -10.788 11.903 130 HG2 MET 18 2HG MET 18 -5.544 -8.279 12.259 131 HG3 MET 18 3HG MET 18 -7.026 -8.225 13.211 132 HE1 MET 18 1HE MET 18 -3.040 -9.909 14.164 133 HE2 MET 18 2HE MET 18 -3.811 -11.045 13.058 134 HE3 MET 18 3HE MET 18 -3.651 -9.347 12.607 135 H GLU 19 HN GLU 19 -7.762 -8.815 8.072 136 HA GLU 19 HA GLU 19 -10.132 -10.541 8.268 137 HB2 GLU 19 2HB GLU 19 -10.119 -7.734 7.145 138 HB3 GLU 19 3HB GLU 19 -11.494 -8.829 7.169 139 HG2 GLU 19 2HG GLU 19 -10.360 -8.458 9.805 140 HG3 GLU 19 3HG GLU 19 -10.855 -6.934 9.073 141 H LYS 20 HN LYS 20 -11.236 -10.399 5.898 142 HA LYS 20 HA LYS 20 -9.316 -11.640 4.168 143 HB2 LYS 20 2HB LYS 20 -12.252 -11.192 4.153 144 HB3 LYS 20 3HB LYS 20 -11.478 -11.441 2.594 145 HG2 LYS 20 2HG LYS 20 -10.460 -13.419 4.312 146 HG3 LYS 20 3HG LYS 20 -12.204 -13.361 4.580 147 HD2 LYS 20 2HD LYS 20 -12.419 -13.403 2.034 148 HD3 LYS 20 3HD LYS 20 -10.717 -13.874 2.018 149 HE2 LYS 20 2HE LYS 20 -11.520 -15.672 3.747 150 HE3 LYS 20 3HE LYS 20 -13.099 -15.368 3.023 151 HZ1 LYS 20 1HZ LYS 20 -12.470 -16.865 1.517 152 HZ2 LYS 20 2HZ LYS 20 -10.838 -16.783 1.955 153 HZ3 LYS 20 3HZ LYS 20 -11.482 -15.653 0.872 154 H LEU 21 HN LEU 21 -8.257 -10.801 2.472 155 HA LEU 21 HA LEU 21 -8.029 -8.033 2.120 156 HB2 LEU 21 2HB LEU 21 -7.077 -10.448 0.718 157 HB3 LEU 21 3HB LEU 21 -7.109 -8.965 -0.234 158 HG LEU 21 HG LEU 21 -5.539 -9.502 2.281 159 HD11 LEU 21 1HD1 LEU 21 -3.705 -8.714 0.625 160 HD12 LEU 21 2HD1 LEU 21 -4.885 -9.143 -0.613 161 HD13 LEU 21 3HD1 LEU 21 -4.316 -10.365 0.524 162 HD21 LEU 21 1HD2 LEU 21 -5.901 -7.324 2.718 163 HD22 LEU 21 2HD2 LEU 21 -6.428 -6.972 1.072 164 HD23 LEU 21 3HD2 LEU 21 -4.706 -7.070 1.445 165 H SER 22 HN SER 22 -10.494 -10.086 1.160 166 HA SER 22 HA SER 22 -11.209 -8.631 -1.246 167 HB2 SER 22 2HB SER 22 -13.027 -10.206 -1.456 168 HB3 SER 22 3HB SER 22 -11.571 -11.102 -1.023 169 HG SER 22 HG SER 22 -13.153 -11.844 0.310 170 H THR 23 HN THR 23 -12.486 -9.090 2.031 171 HA THR 23 HA THR 23 -14.810 -7.619 1.871 172 HB THR 23 HB THR 23 -12.875 -7.911 4.167 173 HG1 THR 23 1HG THR 23 -14.551 -9.343 4.886 174 HG21 THR 23 1HG2 THR 23 -13.925 -6.113 5.043 175 HG22 THR 23 2HG2 THR 23 -15.230 -7.261 5.347 176 HG23 THR 23 3HG2 THR 23 -15.278 -6.228 3.918 177 H ALA 24 HN ALA 24 -12.291 -6.127 3.790 178 HA ALA 24 HA ALA 24 -11.499 -4.014 2.231 179 HB1 ALA 24 1HB ALA 24 -13.471 -2.992 1.820 180 HB2 ALA 24 2HB ALA 24 -14.251 -3.683 3.243 181 HB3 ALA 24 3HB ALA 24 -13.183 -2.290 3.412 182 H SER 25 HN SER 25 -10.693 -2.130 3.510 183 HA SER 25 HA SER 25 -9.156 -2.936 5.661 184 HB2 SER 25 2HB SER 25 -8.271 -0.959 5.054 185 HB3 SER 25 3HB SER 25 -9.792 -0.412 4.349 186 HG SER 25 HG SER 25 -9.229 -0.407 7.130 187 H GLY 26 HN GLY 26 -9.552 -3.324 7.739 188 HA2 GLY 26 1HA GLY 26 -12.190 -3.086 8.799 189 HA3 GLY 26 2HA GLY 26 -10.761 -3.607 9.678 190 H TYR 27 HN TYR 27 -9.338 -1.094 8.947 191 HA TYR 27 HA TYR 27 -10.319 0.477 11.167 192 HB2 TYR 27 2HB TYR 27 -7.939 0.864 9.342 193 HB3 TYR 27 3HB TYR 27 -8.300 1.870 10.741 194 HD1 TYR 27 1HD TYR 27 -5.722 0.768 10.769 195 HD2 TYR 27 2HD TYR 27 -9.366 -1.148 11.840 196 HE1 TYR 27 1HE TYR 27 -4.474 -0.788 12.207 197 HE2 TYR 27 2HE TYR 27 -8.129 -2.709 13.282 198 HH TYR 27 HH TYR 27 -5.826 -2.617 14.545 199 H SER 28 HN SER 28 -11.191 0.284 8.030 200 HA SER 28 HA SER 28 -11.224 2.901 7.068 201 HB2 SER 28 2HB SER 28 -11.776 0.991 5.650 202 HB3 SER 28 3HB SER 28 -13.229 0.680 6.599 203 HG SER 28 HG SER 28 -13.067 3.245 5.656 204 H ASP 29 HN ASP 29 -12.819 1.612 9.735 205 HA ASP 29 HA ASP 29 -15.125 3.349 9.643 206 HB2 ASP 29 2HB ASP 29 -14.944 1.011 10.755 207 HB3 ASP 29 3HB ASP 29 -14.196 1.878 12.093 208 H VAL 30 HN VAL 30 -11.894 3.489 10.815 209 HA VAL 30 HA VAL 30 -12.509 6.030 12.179 210 HB VAL 30 HB VAL 30 -11.740 4.061 13.652 211 HG11 VAL 30 1HG1 VAL 30 -9.063 4.849 12.511 212 HG12 VAL 30 2HG1 VAL 30 -9.374 3.647 13.764 213 HG13 VAL 30 3HG1 VAL 30 -9.921 3.361 12.112 214 HG21 VAL 30 1HG2 VAL 30 -11.841 6.392 14.395 215 HG22 VAL 30 2HG2 VAL 30 -10.452 5.553 15.088 216 HG23 VAL 30 3HG2 VAL 30 -10.226 6.670 13.742 217 H THR 31 HN THR 31 -10.938 4.556 9.630 218 HA THR 31 HA THR 31 -8.940 6.711 9.432 219 HB THR 31 HB THR 31 -7.814 5.254 7.742 220 HG1 THR 31 1HG THR 31 -8.539 2.941 7.986 221 HG21 THR 31 1HG2 THR 31 -8.069 4.711 10.610 222 HG22 THR 31 2HG2 THR 31 -6.625 4.913 9.620 223 HG23 THR 31 3HG2 THR 31 -7.446 3.354 9.673 224 H ASP 32 HN ASP 32 -9.911 4.732 6.735 225 HA ASP 32 HA ASP 32 -11.177 5.168 4.869 226 HB2 ASP 32 2HB ASP 32 -12.436 6.746 6.713 227 HB3 ASP 32 3HB ASP 32 -11.895 7.944 5.539 228 H SER 33 HN SER 33 -8.548 6.827 6.009 229 HA SER 33 HA SER 33 -7.005 8.264 5.106 230 HB2 SER 33 2HB SER 33 -6.160 6.489 3.898 231 HB3 SER 33 3HB SER 33 -7.662 6.243 3.006 232 HG SER 33 HG SER 33 -5.566 8.029 2.521 233 H LYS 34 HN LYS 34 -8.571 7.954 2.000 234 HA LYS 34 HA LYS 34 -10.337 10.002 1.881 235 HB2 LYS 34 2HB LYS 34 -7.622 11.020 2.240 236 HB3 LYS 34 3HB LYS 34 -8.409 11.676 0.810 237 HG2 LYS 34 2HG LYS 34 -10.334 11.825 2.814 238 HG3 LYS 34 3HG LYS 34 -8.823 12.306 3.589 239 HD2 LYS 34 2HD LYS 34 -9.542 14.323 2.751 240 HD3 LYS 34 3HD LYS 34 -8.533 13.752 1.420 241 HE2 LYS 34 2HE LYS 34 -10.286 13.520 0.033 242 HE3 LYS 34 3HE LYS 34 -11.322 12.857 1.296 243 HZ1 LYS 34 1HZ LYS 34 -10.895 15.654 0.521 244 HZ2 LYS 34 2HZ LYS 34 -11.279 15.313 2.132 245 HZ3 LYS 34 3HZ LYS 34 -12.335 14.849 0.895 246 H ALA 35 HN ALA 35 -7.754 8.262 0.408 247 HA ALA 35 HA ALA 35 -8.988 8.679 -2.239 248 HB1 ALA 35 1HB ALA 35 -6.877 9.582 -2.508 249 HB2 ALA 35 2HB ALA 35 -6.120 8.395 -1.444 250 HB3 ALA 35 3HB ALA 35 -6.646 7.923 -3.060 251 H LEU 36 HN LEU 36 -7.355 6.352 -0.123 252 HA LEU 36 HA LEU 36 -7.559 4.085 -1.714 253 HB2 LEU 36 2HB LEU 36 -7.793 4.251 1.287 254 HB3 LEU 36 3HB LEU 36 -7.417 2.800 0.360 255 HG LEU 36 HG LEU 36 -5.559 4.974 -0.178 256 HD11 LEU 36 1HD1 LEU 36 -5.438 5.758 1.922 257 HD12 LEU 36 2HD1 LEU 36 -4.523 4.281 2.224 258 HD13 LEU 36 3HD1 LEU 36 -6.243 4.347 2.609 259 HD21 LEU 36 1HD2 LEU 36 -5.099 2.733 -0.877 260 HD22 LEU 36 2HD2 LEU 36 -5.316 2.121 0.763 261 HD23 LEU 36 3HD2 LEU 36 -3.942 3.160 0.384 262 H GLY 37 HN GLY 37 -9.919 5.510 0.503 263 HA2 GLY 37 1HA GLY 37 -12.189 5.212 0.680 264 HA3 GLY 37 2HA GLY 37 -12.133 4.511 -0.930 265 H SER 38 HN SER 38 -10.078 2.953 1.264 266 HA SER 38 HA SER 38 -10.112 0.905 2.254 267 HB2 SER 38 2HB SER 38 -11.728 1.735 3.794 268 HB3 SER 38 3HB SER 38 -13.013 1.673 2.590 269 HG SER 38 HG SER 38 -11.865 -0.753 2.922 270 H LEU 39 HN LEU 39 -9.788 0.533 -0.255 271 HA LEU 39 HA LEU 39 -10.929 -1.952 -0.859 272 HB2 LEU 39 2HB LEU 39 -12.385 -1.456 -2.685 273 HB3 LEU 39 3HB LEU 39 -12.928 -0.550 -1.275 274 HG LEU 39 HG LEU 39 -11.191 1.133 -2.752 275 HD11 LEU 39 1HD1 LEU 39 -11.927 -0.621 -4.556 276 HD12 LEU 39 2HD1 LEU 39 -11.908 1.102 -4.926 277 HD13 LEU 39 3HD1 LEU 39 -13.429 0.302 -4.532 278 HD21 LEU 39 1HD2 LEU 39 -14.044 1.045 -1.931 279 HD22 LEU 39 2HD2 LEU 39 -13.576 2.216 -3.166 280 HD23 LEU 39 3HD2 LEU 39 -12.799 2.246 -1.582 281 H ALA 40 HN ALA 40 -8.396 -1.423 -0.842 282 HA ALA 40 HA ALA 40 -7.608 -1.612 -3.634 283 HB1 ALA 40 1HB ALA 40 -6.334 0.418 -1.803 284 HB2 ALA 40 2HB ALA 40 -5.865 0.064 -3.466 285 HB3 ALA 40 3HB ALA 40 -7.437 0.788 -3.129 286 H VAL 41 HN VAL 41 -6.731 -3.592 -3.544 287 HA VAL 41 HA VAL 41 -4.916 -4.243 -1.329 288 HB VAL 41 HB VAL 41 -6.068 -6.120 -3.395 289 HG11 VAL 41 1HG1 VAL 41 -4.894 -7.763 -2.435 290 HG12 VAL 41 2HG1 VAL 41 -3.919 -6.475 -1.724 291 HG13 VAL 41 3HG1 VAL 41 -5.248 -7.185 -0.807 292 HG21 VAL 41 1HG2 VAL 41 -7.262 -4.934 -1.038 293 HG22 VAL 41 2HG2 VAL 41 -8.002 -5.914 -2.304 294 HG23 VAL 41 3HG2 VAL 41 -7.214 -6.694 -0.933 295 H GLY 42 HN GLY 42 -2.794 -4.192 -1.650 296 HA2 GLY 42 1HA GLY 42 -1.691 -4.930 -4.246 297 HA3 GLY 42 2HA GLY 42 -1.376 -3.287 -3.708 298 H HIS 43 HN HIS 43 0.244 -5.901 -4.097 299 HA HIS 43 HA HIS 43 1.379 -6.227 -1.438 300 HB2 HIS 43 2HB HIS 43 2.876 -7.892 -2.658 301 HB3 HIS 43 3HB HIS 43 1.157 -8.275 -2.605 302 HD1 HIS 43 1HD HIS 43 2.098 -5.690 -5.055 303 HD2 HIS 43 2HD HIS 43 1.642 -9.819 -4.976 304 HE1 HIS 43 1HE HIS 43 2.010 -6.403 -7.465 305 H LEU 44 HN LEU 44 2.647 -4.566 -0.848 306 HA LEU 44 HA LEU 44 3.976 -2.694 -2.188 307 HB2 LEU 44 2HB LEU 44 4.234 -3.869 0.360 308 HB3 LEU 44 3HB LEU 44 5.863 -3.729 -0.300 309 HG LEU 44 HG LEU 44 4.023 -1.367 -0.308 310 HD11 LEU 44 1HD1 LEU 44 5.424 -0.864 1.886 311 HD12 LEU 44 2HD1 LEU 44 5.356 -2.621 2.025 312 HD13 LEU 44 3HD1 LEU 44 3.864 -1.685 1.937 313 HD21 LEU 44 1HD2 LEU 44 5.916 -0.140 -0.663 314 HD22 LEU 44 2HD2 LEU 44 6.386 -1.648 -1.448 315 HD23 LEU 44 3HD2 LEU 44 6.954 -1.287 0.183 316 H THR 45 HN THR 45 5.312 -2.636 -3.857 317 HA THR 45 HA THR 45 6.535 -4.922 -4.958 318 HB THR 45 HB THR 45 7.495 -3.503 -6.590 319 HG1 THR 45 1HG THR 45 7.864 -1.321 -6.242 320 HG21 THR 45 1HG2 THR 45 4.791 -3.206 -5.828 321 HG22 THR 45 2HG2 THR 45 5.502 -2.960 -7.423 322 HG23 THR 45 3HG2 THR 45 5.369 -1.609 -6.299 323 H LYS 46 HN LYS 46 7.424 -3.054 -2.314 324 HA LYS 46 HA LYS 46 10.266 -3.187 -2.577 325 HB2 LYS 46 2HB LYS 46 8.401 -2.578 -0.297 326 HB3 LYS 46 3HB LYS 46 10.136 -2.714 -0.042 327 HG2 LYS 46 2HG LYS 46 9.802 -1.010 -2.246 328 HG3 LYS 46 3HG LYS 46 8.617 -0.505 -1.039 329 HD2 LYS 46 2HD LYS 46 11.454 -1.047 -0.248 330 HD3 LYS 46 3HD LYS 46 11.009 0.500 -0.973 331 HE2 LYS 46 2HE LYS 46 9.576 -0.653 1.407 332 HE3 LYS 46 3HE LYS 46 10.994 0.383 1.562 333 HZ1 LYS 46 1HZ LYS 46 9.813 2.122 0.377 334 HZ2 LYS 46 2HZ LYS 46 8.944 1.647 1.748 335 HZ3 LYS 46 3HZ LYS 46 8.454 1.127 0.213 336 H CYS 47 HN CYS 47 8.177 -4.759 -0.151 337 HA CYS 47 HA CYS 47 10.121 -6.938 0.031 338 HB2 CYS 47 2HB CYS 47 8.879 -7.581 2.071 339 HB3 CYS 47 3HB CYS 47 9.451 -5.918 2.138 340 H SER 48 HN SER 48 7.103 -6.217 -1.357 341 HA SER 48 HA SER 48 5.581 -7.444 -2.519 342 HB2 SER 48 2HB SER 48 6.786 -9.963 -2.860 343 HB3 SER 48 3HB SER 48 6.773 -8.622 -4.007 344 HG SER 48 HG SER 48 8.782 -9.475 -2.281 345 H HIS 49 HN HIS 49 4.489 -7.391 -0.345 346 HA HIS 49 HA HIS 49 4.169 -10.123 0.713 347 HB2 HIS 49 2HB HIS 49 3.875 -7.452 2.092 348 HB3 HIS 49 3HB HIS 49 3.322 -8.969 2.798 349 HD2 HIS 49 2HD HIS 49 6.720 -9.185 0.992 350 HE1 HIS 49 1HE HIS 49 7.489 -8.984 5.160 351 HE2 HIS 49 2HE HIS 49 8.492 -9.306 2.872 352 H ALA 50 HN ALA 50 2.014 -7.647 1.726 353 HA ALA 50 HA ALA 50 0.041 -7.419 -0.069 354 HB1 ALA 50 1HB ALA 50 -0.400 -9.567 -0.639 355 HB2 ALA 50 2HB ALA 50 0.138 -10.209 0.913 356 HB3 ALA 50 3HB ALA 50 -1.455 -9.465 0.771 357 H PHE 51 HN PHE 51 -1.532 -6.198 0.793 358 HA PHE 51 HA PHE 51 -2.753 -6.568 3.280 359 HB2 PHE 51 2HB PHE 51 -1.455 -4.154 3.931 360 HB3 PHE 51 3HB PHE 51 -1.293 -5.708 4.740 361 HD1 PHE 51 1HD PHE 51 0.806 -6.616 4.930 362 HD2 PHE 51 2HD PHE 51 0.006 -3.915 1.738 363 HE1 PHE 51 1HE PHE 51 3.168 -6.724 4.251 364 HE2 PHE 51 2HE PHE 51 2.366 -4.021 1.053 365 HZ PHE 51 HZ PHE 51 3.951 -5.427 2.309 366 H HIS 52 HN HIS 52 -3.781 -4.339 4.032 367 HA HIS 52 HA HIS 52 -5.108 -3.298 1.667 368 HB2 HIS 52 2HB HIS 52 -5.631 -3.067 4.623 369 HB3 HIS 52 3HB HIS 52 -6.503 -2.083 3.452 370 HD2 HIS 52 2HD HIS 52 -7.336 -4.248 1.248 371 HE1 HIS 52 1HE HIS 52 -8.820 -6.545 4.492 372 HE2 HIS 52 2HE HIS 52 -8.801 -6.247 1.991 373 H LEU 53 HN LEU 53 -3.958 -1.767 0.642 374 HA LEU 53 HA LEU 53 -2.025 -0.098 1.434 375 HB2 LEU 53 2HB LEU 53 -4.363 0.673 -0.304 376 HB3 LEU 53 3HB LEU 53 -2.847 1.566 -0.202 377 HG LEU 53 HG LEU 53 -2.902 -1.310 -1.060 378 HD11 LEU 53 1HD1 LEU 53 -2.728 0.604 -3.231 379 HD12 LEU 53 2HD1 LEU 53 -4.283 0.671 -2.402 380 HD13 LEU 53 3HD1 LEU 53 -3.711 -0.853 -3.081 381 HD21 LEU 53 1HD2 LEU 53 -0.711 -0.773 -0.764 382 HD22 LEU 53 2HD2 LEU 53 -0.972 0.945 -1.069 383 HD23 LEU 53 3HD2 LEU 53 -0.916 -0.193 -2.417 384 H LEU 54 HN LEU 54 -5.384 0.172 2.324 385 HA LEU 54 HA LEU 54 -5.146 2.814 3.432 386 HB2 LEU 54 2HB LEU 54 -7.304 2.382 2.773 387 HB3 LEU 54 3HB LEU 54 -7.253 0.711 3.334 388 HG LEU 54 HG LEU 54 -7.770 1.297 5.521 389 HD11 LEU 54 1HD1 LEU 54 -6.419 2.924 6.301 390 HD12 LEU 54 2HD1 LEU 54 -7.820 3.943 5.970 391 HD13 LEU 54 3HD1 LEU 54 -6.496 3.859 4.807 392 HD21 LEU 54 1HD2 LEU 54 -9.714 2.794 5.386 393 HD22 LEU 54 2HD2 LEU 54 -9.690 1.616 4.073 394 HD23 LEU 54 3HD2 LEU 54 -9.209 3.286 3.769 395 H CYS 55 HN CYS 55 -6.025 -0.255 5.022 396 HA CYS 55 HA CYS 55 -5.760 0.334 7.614 397 HB2 CYS 55 2HB CYS 55 -4.775 -2.113 6.157 398 HB3 CYS 55 3HB CYS 55 -4.709 -1.991 7.912 399 H LEU 56 HN LEU 56 -3.062 -0.101 5.389 400 HA LEU 56 HA LEU 56 -1.035 0.117 7.386 401 HB2 LEU 56 2HB LEU 56 -0.936 0.452 4.393 402 HB3 LEU 56 3HB LEU 56 0.482 0.445 5.439 403 HG LEU 56 HG LEU 56 0.458 -1.807 5.686 404 HD11 LEU 56 1HD1 LEU 56 -2.515 -1.909 5.218 405 HD12 LEU 56 2HD1 LEU 56 -1.767 -1.757 6.807 406 HD13 LEU 56 3HD1 LEU 56 -1.479 -3.198 5.832 407 HD21 LEU 56 1HD2 LEU 56 -0.043 -0.982 3.118 408 HD22 LEU 56 2HD2 LEU 56 -1.243 -2.253 3.358 409 HD23 LEU 56 3HD2 LEU 56 0.470 -2.600 3.597 410 H LEU 57 HN LEU 57 -2.256 2.363 4.906 411 HA LEU 57 HA LEU 57 -0.739 4.558 5.264 412 HB2 LEU 57 2HB LEU 57 -3.122 4.072 4.060 413 HB3 LEU 57 3HB LEU 57 -3.611 5.179 5.341 414 HG LEU 57 HG LEU 57 -3.236 6.619 3.586 415 HD11 LEU 57 1HD1 LEU 57 -0.464 6.471 4.745 416 HD12 LEU 57 2HD1 LEU 57 -1.841 7.167 5.600 417 HD13 LEU 57 3HD1 LEU 57 -1.290 7.882 4.085 418 HD21 LEU 57 1HD2 LEU 57 -2.464 5.274 1.862 419 HD22 LEU 57 2HD2 LEU 57 -1.076 4.707 2.789 420 HD23 LEU 57 3HD2 LEU 57 -1.099 6.353 2.155 421 H ALA 58 HN ALA 58 -2.904 3.197 7.595 422 HA ALA 58 HA ALA 58 -3.036 5.516 9.283 423 HB1 ALA 58 1HB ALA 58 -4.728 4.378 10.151 424 HB2 ALA 58 2HB ALA 58 -4.310 2.983 9.154 425 HB3 ALA 58 3HB ALA 58 -3.605 3.162 10.761 426 H MET 59 HN MET 59 -1.630 2.289 9.887 427 HA MET 59 HA MET 59 -0.006 3.213 12.025 428 HB2 MET 59 2HB MET 59 1.158 0.931 11.606 429 HB3 MET 59 3HB MET 59 -0.508 0.948 12.169 430 HG2 MET 59 2HG MET 59 -1.245 -0.076 10.341 431 HG3 MET 59 3HG MET 59 -0.319 0.980 9.276 432 HE1 MET 59 1HE MET 59 2.490 -0.972 8.063 433 HE2 MET 59 2HE MET 59 0.843 -0.843 7.444 434 HE3 MET 59 3HE MET 59 1.622 0.559 8.181 435 H TYR 60 HN TYR 60 0.283 3.604 8.725 436 HA TYR 60 HA TYR 60 3.051 3.282 8.310 437 HB2 TYR 60 2HB TYR 60 2.361 3.682 6.224 438 HB3 TYR 60 3HB TYR 60 0.798 4.228 6.821 439 HD1 TYR 60 1HD TYR 60 3.632 5.165 4.995 440 HD2 TYR 60 2HD TYR 60 0.816 6.704 7.789 441 HE1 TYR 60 1HE TYR 60 4.156 7.451 4.254 442 HE2 TYR 60 2HE TYR 60 1.332 8.995 7.056 443 HH TYR 60 HH TYR 60 2.458 10.257 5.615 444 H CYS 61 HN CYS 61 1.235 5.700 9.939 445 HA CYS 61 HA CYS 61 2.928 7.917 9.666 446 HB2 CYS 61 2HB CYS 61 1.575 8.926 11.197 447 HB3 CYS 61 3HB CYS 61 0.545 7.545 10.842 448 HG CYS 61 HG CYS 61 0.256 7.292 13.411 449 H ASN 62 HN ASN 62 3.547 4.956 11.085 450 HA ASN 62 HA ASN 62 5.375 5.979 13.107 451 HB2 ASN 62 2HB ASN 62 4.072 3.415 12.538 452 HB3 ASN 62 3HB ASN 62 5.756 3.254 13.030 453 HD21 ASN 62 1HD2 ASN 62 3.852 2.210 14.611 454 HD22 ASN 62 2HD2 ASN 62 3.678 3.141 16.055 455 H GLY 63 HN GLY 63 5.561 3.826 10.266 456 HA2 GLY 63 1HA GLY 63 8.306 4.807 9.837 457 HA3 GLY 63 2HA GLY 63 7.979 3.081 9.829 458 H ASN 64 HN ASN 64 8.990 3.354 7.647 459 HA ASN 64 HA ASN 64 8.894 3.703 5.373 460 HB2 ASN 64 2HB ASN 64 7.358 1.662 6.094 461 HB3 ASN 64 3HB ASN 64 6.085 2.695 5.451 462 HD21 ASN 64 1HD2 ASN 64 6.560 0.300 4.294 463 HD22 ASN 64 2HD2 ASN 64 7.285 0.516 2.741 464 H LYS 65 HN LYS 65 8.152 6.045 6.813 465 HA LYS 65 HA LYS 65 5.832 7.157 5.480 466 HB2 LYS 65 2HB LYS 65 6.971 7.633 7.909 467 HB3 LYS 65 3HB LYS 65 7.615 8.972 6.968 468 HG2 LYS 65 2HG LYS 65 5.457 9.795 6.479 469 HG3 LYS 65 3HG LYS 65 4.685 8.320 7.064 470 HD2 LYS 65 2HD LYS 65 4.364 9.598 8.911 471 HD3 LYS 65 3HD LYS 65 5.993 9.029 9.288 472 HE2 LYS 65 2HE LYS 65 5.859 11.444 7.613 473 HE3 LYS 65 3HE LYS 65 5.246 11.635 9.255 474 HZ1 LYS 65 1HZ LYS 65 7.921 10.545 8.563 475 HZ2 LYS 65 2HZ LYS 65 7.331 10.843 10.120 476 HZ3 LYS 65 3HZ LYS 65 7.625 12.134 9.066 477 H ASP 66 HN ASP 66 6.727 6.870 3.310 478 HA ASP 66 HA ASP 66 8.668 8.975 2.611 479 HB2 ASP 66 2HB ASP 66 9.008 6.352 2.136 480 HB3 ASP 66 3HB ASP 66 8.114 6.786 0.682 481 H GLY 67 HN GLY 67 5.613 7.442 1.763 482 HA2 GLY 67 1HA GLY 67 4.186 9.589 0.996 483 HA3 GLY 67 2HA GLY 67 5.145 9.267 -0.441 484 H SER 68 HN SER 68 3.937 6.786 1.731 485 HA SER 68 HA SER 68 1.713 6.133 0.004 486 HB2 SER 68 2HB SER 68 4.124 4.320 0.216 487 HB3 SER 68 3HB SER 68 2.551 3.787 -0.376 488 HG SER 68 HG SER 68 4.125 5.874 -1.485 489 H LEU 69 HN LEU 69 3.520 3.829 1.943 490 HA LEU 69 HA LEU 69 2.013 4.199 4.331 491 HB2 LEU 69 2HB LEU 69 0.877 1.959 4.217 492 HB3 LEU 69 3HB LEU 69 0.202 3.220 3.187 493 HG LEU 69 HG LEU 69 0.490 0.780 2.295 494 HD11 LEU 69 1HD1 LEU 69 0.567 3.392 1.073 495 HD12 LEU 69 2HD1 LEU 69 -0.256 1.925 0.545 496 HD13 LEU 69 3HD1 LEU 69 1.427 2.203 0.095 497 HD21 LEU 69 1HD2 LEU 69 3.248 1.940 1.925 498 HD22 LEU 69 2HD2 LEU 69 2.633 0.528 1.065 499 HD23 LEU 69 3HD2 LEU 69 2.815 0.483 2.820 500 H GLN 70 HN GLN 70 2.183 1.835 5.567 501 HA GLN 70 HA GLN 70 5.001 1.026 5.276 502 HB2 GLN 70 2HB GLN 70 4.705 2.459 7.246 503 HB3 GLN 70 3HB GLN 70 3.452 1.381 7.848 504 HG2 GLN 70 2HG GLN 70 5.032 -0.385 8.166 505 HG3 GLN 70 3HG GLN 70 6.302 0.546 7.371 506 HE21 GLN 70 1HE2 GLN 70 7.368 -0.038 9.456 507 HE22 GLN 70 2HE2 GLN 70 7.176 1.055 10.780 508 H CYS 71 HN CYS 71 5.507 -1.129 6.044 509 HA CYS 71 HA CYS 71 3.262 -2.963 5.602 510 HB2 CYS 71 2HB CYS 71 5.066 -3.377 4.095 511 HB3 CYS 71 3HB CYS 71 6.252 -3.319 5.395 512 HA PRO 72 HA PRO 72 3.362 -3.682 10.014 513 HB2 PRO 72 2HB PRO 72 1.254 -5.394 10.036 514 HB3 PRO 72 3HB PRO 72 1.065 -3.639 9.927 515 HG2 PRO 72 2HG PRO 72 0.979 -5.692 7.750 516 HG3 PRO 72 3HG PRO 72 -0.074 -4.289 8.007 517 HD2 PRO 72 2HD PRO 72 1.954 -4.280 6.212 518 HD3 PRO 72 3HD PRO 72 1.447 -2.821 7.088 519 H SER 73 HN SER 73 3.934 -5.839 7.444 520 HA SER 73 HA SER 73 4.294 -8.196 9.070 521 HB2 SER 73 2HB SER 73 4.078 -7.618 6.272 522 HB3 SER 73 3HB SER 73 5.566 -8.521 6.553 523 HG SER 73 HG SER 73 4.188 -10.136 6.473 524 H CYS 74 HN CYS 74 6.611 -6.816 6.766 525 HA CYS 74 HA CYS 74 8.737 -7.305 8.736 526 HB2 CYS 74 2HB CYS 74 10.274 -7.398 6.870 527 HB3 CYS 74 3HB CYS 74 8.913 -8.466 6.544 528 H LYS 75 HN LYS 75 7.129 -5.000 9.000 529 HA LYS 75 HA LYS 75 7.171 -2.696 8.989 530 HB2 LYS 75 2HB LYS 75 9.707 -2.065 9.753 531 HB3 LYS 75 3HB LYS 75 8.450 -2.632 10.845 532 HG2 LYS 75 2HG LYS 75 10.436 -4.431 9.477 533 HG3 LYS 75 3HG LYS 75 10.631 -3.787 11.108 534 HD2 LYS 75 2HD LYS 75 8.036 -4.938 10.899 535 HD3 LYS 75 3HD LYS 75 9.211 -6.100 10.278 536 HE2 LYS 75 2HE LYS 75 10.532 -5.808 12.349 537 HE3 LYS 75 3HE LYS 75 9.280 -4.732 12.966 538 HZ1 LYS 75 1HZ LYS 75 9.326 -7.604 12.833 539 HZ2 LYS 75 2HZ LYS 75 7.886 -6.934 12.252 540 HZ3 LYS 75 3HZ LYS 75 8.410 -6.582 13.823 541 H THR 76 HN THR 76 7.780 -3.855 6.387 542 HA THR 76 HA THR 76 9.958 -2.555 5.156 543 HB THR 76 HB THR 76 7.913 -4.330 4.338 544 HG1 THR 76 1HG THR 76 10.078 -4.618 3.815 545 HG21 THR 76 1HG2 THR 76 6.765 -2.270 3.496 546 HG22 THR 76 2HG2 THR 76 7.168 -3.440 2.239 547 HG23 THR 76 3HG2 THR 76 8.154 -1.992 2.446 Start of MODEL 16 1 H1 ASN 1 HN ASN 1 -2.328 0.854 -5.645 2 HA ASN 1 HA ASN 1 -2.841 3.362 -5.645 3 HB2 ASN 1 2HB ASN 1 -2.573 2.703 -2.842 4 HB3 ASN 1 3HB ASN 1 -1.444 3.979 -3.289 5 HD21 ASN 1 1HD2 ASN 1 -2.186 5.973 -3.277 6 HD22 ASN 1 2HD2 ASN 1 -3.850 6.438 -3.325 7 H TYR 2 HN TYR 2 -0.086 2.460 -3.603 8 HA TYR 2 HA TYR 2 1.695 3.278 -5.800 9 HB2 TYR 2 2HB TYR 2 2.774 3.073 -3.051 10 HB3 TYR 2 3HB TYR 2 3.086 4.275 -4.297 11 HD1 TYR 2 1HD TYR 2 0.613 3.217 -1.743 12 HD2 TYR 2 2HD TYR 2 1.976 6.352 -4.276 13 HE1 TYR 2 1HE TYR 2 -0.882 4.791 -0.587 14 HE2 TYR 2 2HE TYR 2 0.485 7.936 -3.126 15 HH TYR 2 HH TYR 2 -0.852 8.243 -1.342 16 H THR 3 HN THR 3 0.468 0.572 -4.608 17 HA THR 3 HA THR 3 2.978 -0.940 -4.937 18 HB THR 3 HB THR 3 2.389 -2.479 -3.300 19 HG1 THR 3 1HG THR 3 -0.272 -1.497 -3.565 20 HG21 THR 3 1HG2 THR 3 2.768 -0.076 -2.453 21 HG22 THR 3 2HG2 THR 3 2.086 -1.252 -1.331 22 HG23 THR 3 3HG2 THR 3 1.037 -0.073 -2.118 23 H GLU 4 HN GLU 4 2.997 -2.514 -6.435 24 HA GLU 4 HA GLU 4 1.409 -2.713 -8.563 25 HB2 GLU 4 2HB GLU 4 3.137 -4.173 -8.793 26 HB3 GLU 4 3HB GLU 4 3.047 -4.708 -7.121 27 HG2 GLU 4 2HG GLU 4 1.543 -6.356 -7.575 28 HG3 GLU 4 3HG GLU 4 0.851 -5.499 -8.952 29 H GLU 5 HN GLU 5 -0.764 -2.354 -8.232 30 HA GLU 5 HA GLU 5 -2.399 -3.662 -6.382 31 HB2 GLU 5 2HB GLU 5 -2.829 -1.610 -7.984 32 HB3 GLU 5 3HB GLU 5 -3.498 -2.847 -9.038 33 HG2 GLU 5 2HG GLU 5 -4.952 -3.546 -7.105 34 HG3 GLU 5 3HG GLU 5 -4.410 -2.085 -6.280 35 H LEU 6 HN LEU 6 -4.065 -5.270 -6.766 36 HA LEU 6 HA LEU 6 -3.249 -7.262 -8.779 37 HB2 LEU 6 2HB LEU 6 -4.583 -7.844 -6.144 38 HB3 LEU 6 3HB LEU 6 -3.902 -9.006 -7.281 39 HG LEU 6 HG LEU 6 -2.451 -7.133 -5.430 40 HD11 LEU 6 1HD1 LEU 6 -1.559 -9.877 -5.619 41 HD12 LEU 6 2HD1 LEU 6 -3.268 -9.772 -5.198 42 HD13 LEU 6 3HD1 LEU 6 -2.064 -8.949 -4.208 43 HD21 LEU 6 1HD2 LEU 6 -1.407 -8.602 -7.838 44 HD22 LEU 6 2HD2 LEU 6 -0.371 -8.081 -6.511 45 HD23 LEU 6 3HD2 LEU 6 -1.260 -6.887 -7.457 46 H LYS 7 HN LYS 7 -4.706 -7.664 -10.294 47 HA LYS 7 HA LYS 7 -7.040 -6.482 -10.795 48 HB2 LYS 7 2HB LYS 7 -5.869 -9.020 -11.541 49 HB3 LYS 7 3HB LYS 7 -7.622 -9.140 -11.468 50 HG2 LYS 7 2HG LYS 7 -6.772 -6.731 -12.826 51 HG3 LYS 7 3HG LYS 7 -6.108 -8.185 -13.579 52 HD2 LYS 7 2HD LYS 7 -8.447 -9.130 -13.538 53 HD3 LYS 7 3HD LYS 7 -9.003 -7.523 -13.066 54 HE2 LYS 7 2HE LYS 7 -9.228 -7.828 -15.464 55 HE3 LYS 7 3HE LYS 7 -8.017 -6.595 -15.112 56 HZ1 LYS 7 1HZ LYS 7 -7.517 -8.409 -16.860 57 HZ2 LYS 7 2HZ LYS 7 -7.185 -9.388 -15.522 58 HZ3 LYS 7 3HZ LYS 7 -6.305 -7.963 -15.766 59 H VAL 8 HN VAL 8 -6.599 -9.080 -8.472 60 HA VAL 8 HA VAL 8 -9.173 -8.417 -7.280 61 HB VAL 8 HB VAL 8 -10.255 -10.327 -7.698 62 HG11 VAL 8 1HG1 VAL 8 -9.551 -11.573 -9.707 63 HG12 VAL 8 2HG1 VAL 8 -9.478 -9.824 -9.935 64 HG13 VAL 8 3HG1 VAL 8 -7.998 -10.741 -9.655 65 HG21 VAL 8 1HG2 VAL 8 -9.101 -12.578 -7.615 66 HG22 VAL 8 2HG2 VAL 8 -7.638 -11.707 -7.156 67 HG23 VAL 8 3HG2 VAL 8 -9.067 -11.634 -6.127 68 HA PRO 9 HA PRO 9 -7.071 -9.115 -3.491 69 HB2 PRO 9 2HB PRO 9 -9.077 -10.032 -1.909 70 HB3 PRO 9 3HB PRO 9 -8.958 -8.347 -2.429 71 HG2 PRO 9 2HG PRO 9 -10.643 -10.558 -3.542 72 HG3 PRO 9 3HG PRO 9 -11.079 -8.869 -3.227 73 HD2 PRO 9 2HD PRO 9 -10.458 -9.777 -5.702 74 HD3 PRO 9 3HD PRO 9 -10.095 -8.121 -5.174 75 HA PRO 10 HA PRO 10 -5.917 -13.424 -3.762 76 HB2 PRO 10 2HB PRO 10 -3.890 -13.278 -1.962 77 HB3 PRO 10 3HB PRO 10 -3.743 -12.694 -3.624 78 HG2 PRO 10 2HG PRO 10 -4.281 -11.151 -1.116 79 HG3 PRO 10 3HG PRO 10 -3.201 -10.753 -2.465 80 HD2 PRO 10 2HD PRO 10 -5.657 -9.648 -2.191 81 HD3 PRO 10 3HD PRO 10 -4.923 -9.963 -3.776 82 H ASP 11 HN ASP 11 -4.931 -14.836 -1.651 83 HA ASP 11 HA ASP 11 -7.153 -14.789 0.285 84 HB2 ASP 11 2HB ASP 11 -5.824 -17.021 -1.170 85 HB3 ASP 11 3HB ASP 11 -6.346 -17.327 0.484 86 H GLU 12 HN GLU 12 -4.648 -13.353 0.522 87 HA GLU 12 HA GLU 12 -3.109 -14.831 2.494 88 HB2 GLU 12 2HB GLU 12 -2.709 -12.445 0.844 89 HB3 GLU 12 3HB GLU 12 -2.117 -12.260 2.489 90 HG2 GLU 12 2HG GLU 12 -0.487 -13.828 2.234 91 HG3 GLU 12 3HG GLU 12 -1.396 -14.739 1.029 92 H ASP 13 HN ASP 13 -5.591 -12.430 2.365 93 HA ASP 13 HA ASP 13 -6.836 -11.424 3.981 94 HB2 ASP 13 2HB ASP 13 -6.910 -13.684 4.980 95 HB3 ASP 13 3HB ASP 13 -5.426 -13.330 5.861 96 H CYS 14 HN CYS 14 -6.573 -9.465 4.838 97 HA CYS 14 HA CYS 14 -4.261 -8.068 4.960 98 HB2 CYS 14 2HB CYS 14 -6.542 -7.117 5.275 99 HB3 CYS 14 3HB CYS 14 -6.529 -7.720 6.930 100 H ILE 15 HN ILE 15 -3.045 -7.204 6.848 101 HA ILE 15 HA ILE 15 -2.537 -9.353 8.800 102 HB ILE 15 HB ILE 15 -0.362 -7.499 8.683 103 HG12 ILE 15 2HG1 ILE 15 -1.383 -8.516 6.042 104 HG13 ILE 15 3HG1 ILE 15 -0.849 -6.893 6.463 105 HG21 ILE 15 1HG2 ILE 15 -0.619 -10.052 9.276 106 HG22 ILE 15 2HG2 ILE 15 -0.193 -10.255 7.578 107 HG23 ILE 15 3HG2 ILE 15 0.904 -9.405 8.666 108 HD11 ILE 15 1HD1 ILE 15 1.447 -7.652 6.574 109 HD12 ILE 15 2HD1 ILE 15 0.934 -9.304 6.225 110 HD13 ILE 15 3HD1 ILE 15 0.737 -8.042 5.008 111 H ILE 16 HN ILE 16 -3.269 -6.005 8.349 112 HA ILE 16 HA ILE 16 -2.574 -5.163 10.999 113 HB ILE 16 HB ILE 16 -4.525 -3.731 9.216 114 HG12 ILE 16 2HG1 ILE 16 -1.767 -4.387 8.633 115 HG13 ILE 16 3HG1 ILE 16 -2.960 -3.586 7.618 116 HG21 ILE 16 1HG2 ILE 16 -4.022 -3.014 11.601 117 HG22 ILE 16 2HG2 ILE 16 -2.413 -2.588 11.020 118 HG23 ILE 16 3HG2 ILE 16 -3.834 -1.787 10.347 119 HD11 ILE 16 1HD1 ILE 16 -2.422 -1.483 8.953 120 HD12 ILE 16 2HD1 ILE 16 -1.010 -2.365 9.533 121 HD13 ILE 16 3HD1 ILE 16 -1.212 -2.059 7.808 122 H CYS 17 HN CYS 17 -5.775 -5.146 9.428 123 HA CYS 17 HA CYS 17 -7.076 -5.394 11.993 124 HB2 CYS 17 2HB CYS 17 -9.158 -5.191 10.724 125 HB3 CYS 17 3HB CYS 17 -8.016 -3.938 10.248 126 H MET 18 HN MET 18 -5.444 -7.609 10.568 127 HA MET 18 HA MET 18 -5.647 -9.855 10.065 128 HB2 MET 18 2HB MET 18 -6.742 -9.362 12.799 129 HB3 MET 18 3HB MET 18 -6.836 -10.989 12.137 130 HG2 MET 18 2HG MET 18 -4.611 -11.329 12.284 131 HG3 MET 18 3HG MET 18 -4.220 -9.647 11.936 132 HE1 MET 18 1HE MET 18 -6.504 -11.407 14.215 133 HE2 MET 18 2HE MET 18 -5.685 -11.472 15.776 134 HE3 MET 18 3HE MET 18 -6.688 -10.080 15.364 135 H GLU 19 HN GLU 19 -7.461 -8.724 8.486 136 HA GLU 19 HA GLU 19 -9.784 -10.513 8.724 137 HB2 GLU 19 2HB GLU 19 -9.812 -7.606 7.898 138 HB3 GLU 19 3HB GLU 19 -11.173 -8.701 7.702 139 HG2 GLU 19 2HG GLU 19 -10.235 -8.803 10.404 140 HG3 GLU 19 3HG GLU 19 -10.529 -7.130 9.931 141 H LYS 20 HN LYS 20 -10.924 -10.801 6.609 142 HA LYS 20 HA LYS 20 -9.193 -11.774 4.661 143 HB2 LYS 20 2HB LYS 20 -12.111 -11.055 4.622 144 HB3 LYS 20 3HB LYS 20 -11.307 -11.637 3.170 145 HG2 LYS 20 2HG LYS 20 -10.622 -13.402 5.265 146 HG3 LYS 20 3HG LYS 20 -12.364 -13.126 5.353 147 HD2 LYS 20 2HD LYS 20 -12.119 -13.468 2.711 148 HD3 LYS 20 3HD LYS 20 -10.746 -14.439 3.246 149 HE2 LYS 20 2HE LYS 20 -12.947 -15.053 4.923 150 HE3 LYS 20 3HE LYS 20 -13.518 -15.100 3.256 151 HZ1 LYS 20 1HZ LYS 20 -12.169 -16.839 2.744 152 HZ2 LYS 20 2HZ LYS 20 -12.407 -17.177 4.383 153 HZ3 LYS 20 3HZ LYS 20 -10.981 -16.422 3.873 154 H LEU 21 HN LEU 21 -8.285 -10.958 2.845 155 HA LEU 21 HA LEU 21 -7.994 -8.145 2.606 156 HB2 LEU 21 2HB LEU 21 -7.077 -10.527 1.083 157 HB3 LEU 21 3HB LEU 21 -7.003 -8.955 0.288 158 HG LEU 21 HG LEU 21 -5.642 -9.666 2.886 159 HD11 LEU 21 1HD1 LEU 21 -4.450 -10.827 1.264 160 HD12 LEU 21 2HD1 LEU 21 -3.589 -9.293 1.382 161 HD13 LEU 21 3HD1 LEU 21 -4.702 -9.579 0.044 162 HD21 LEU 21 1HD2 LEU 21 -5.193 -7.505 3.156 163 HD22 LEU 21 2HD2 LEU 21 -6.381 -7.174 1.896 164 HD23 LEU 21 3HD2 LEU 21 -4.674 -7.337 1.480 165 H SER 22 HN SER 22 -10.550 -10.037 1.814 166 HA SER 22 HA SER 22 -11.314 -8.340 -0.470 167 HB2 SER 22 2HB SER 22 -12.744 -10.896 0.143 168 HB3 SER 22 3HB SER 22 -12.489 -10.100 -1.410 169 HG SER 22 HG SER 22 -11.213 -12.044 -1.028 170 H THR 23 HN THR 23 -11.623 -8.204 2.638 171 HA THR 23 HA THR 23 -14.513 -7.615 2.618 172 HB THR 23 HB THR 23 -14.241 -7.802 5.184 173 HG1 THR 23 1HG THR 23 -12.168 -8.128 5.620 174 HG21 THR 23 1HG2 THR 23 -13.890 -10.463 3.893 175 HG22 THR 23 2HG2 THR 23 -15.264 -9.469 3.407 176 HG23 THR 23 3HG2 THR 23 -15.070 -9.939 5.095 177 H ALA 24 HN ALA 24 -12.227 -5.883 1.845 178 HA ALA 24 HA ALA 24 -11.579 -3.713 2.068 179 HB1 ALA 24 1HB ALA 24 -13.248 -2.247 2.443 180 HB2 ALA 24 2HB ALA 24 -14.248 -3.701 2.450 181 HB3 ALA 24 3HB ALA 24 -13.705 -2.996 3.973 182 H SER 25 HN SER 25 -10.984 -1.985 3.747 183 HA SER 25 HA SER 25 -9.350 -3.229 5.721 184 HB2 SER 25 2HB SER 25 -8.385 -1.289 4.880 185 HB3 SER 25 3HB SER 25 -9.908 -0.400 4.902 186 HG SER 25 HG SER 25 -9.505 0.206 6.873 187 H GLY 26 HN GLY 26 -9.504 -3.181 7.955 188 HA2 GLY 26 1HA GLY 26 -12.205 -3.052 8.982 189 HA3 GLY 26 2HA GLY 26 -10.773 -3.563 9.865 190 H TYR 27 HN TYR 27 -9.365 -1.051 9.045 191 HA TYR 27 HA TYR 27 -10.286 0.549 11.268 192 HB2 TYR 27 2HB TYR 27 -7.991 0.963 9.341 193 HB3 TYR 27 3HB TYR 27 -8.304 1.950 10.765 194 HD1 TYR 27 1HD TYR 27 -5.719 0.942 10.735 195 HD2 TYR 27 2HD TYR 27 -9.265 -1.147 11.813 196 HE1 TYR 27 1HE TYR 27 -4.383 -0.607 12.100 197 HE2 TYR 27 2HE TYR 27 -7.940 -2.702 13.181 198 HH TYR 27 HH TYR 27 -5.287 -2.289 14.389 199 H SER 28 HN SER 28 -11.420 0.271 8.276 200 HA SER 28 HA SER 28 -11.481 2.861 7.208 201 HB2 SER 28 2HB SER 28 -13.333 2.089 5.846 202 HB3 SER 28 3HB SER 28 -12.145 0.793 5.983 203 HG SER 28 HG SER 28 -13.572 -0.386 6.979 204 H ASP 29 HN ASP 29 -12.838 1.708 10.044 205 HA ASP 29 HA ASP 29 -15.145 3.464 10.045 206 HB2 ASP 29 2HB ASP 29 -14.046 1.381 11.873 207 HB3 ASP 29 3HB ASP 29 -15.097 2.615 12.565 208 H VAL 30 HN VAL 30 -11.862 3.743 10.702 209 HA VAL 30 HA VAL 30 -12.340 6.205 12.244 210 HB VAL 30 HB VAL 30 -9.735 5.002 12.756 211 HG11 VAL 30 1HG1 VAL 30 -11.865 5.649 14.765 212 HG12 VAL 30 2HG1 VAL 30 -10.112 5.757 14.930 213 HG13 VAL 30 3HG1 VAL 30 -10.978 6.924 13.929 214 HG21 VAL 30 1HG2 VAL 30 -10.931 2.910 12.553 215 HG22 VAL 30 2HG2 VAL 30 -10.580 3.227 14.252 216 HG23 VAL 30 3HG2 VAL 30 -12.204 3.500 13.622 217 H THR 31 HN THR 31 -9.867 4.454 10.365 218 HA THR 31 HA THR 31 -8.286 6.661 9.720 219 HB THR 31 HB THR 31 -7.531 5.281 7.744 220 HG1 THR 31 1HG THR 31 -9.462 4.111 7.403 221 HG21 THR 31 1HG2 THR 31 -6.526 3.494 9.152 222 HG22 THR 31 2HG2 THR 31 -7.581 3.993 10.475 223 HG23 THR 31 3HG2 THR 31 -6.365 5.106 9.849 224 H ASP 32 HN ASP 32 -10.997 5.207 7.949 225 HA ASP 32 HA ASP 32 -12.131 5.905 6.082 226 HB2 ASP 32 2HB ASP 32 -11.924 8.406 7.758 227 HB3 ASP 32 3HB ASP 32 -12.916 8.315 6.306 228 H SER 33 HN SER 33 -9.235 5.943 5.811 229 HA SER 33 HA SER 33 -8.029 8.094 4.717 230 HB2 SER 33 2HB SER 33 -6.615 6.305 4.607 231 HB3 SER 33 3HB SER 33 -7.897 5.187 4.145 232 HG SER 33 HG SER 33 -7.743 5.886 2.050 233 H LYS 34 HN LYS 34 -9.088 9.582 3.537 234 HA LYS 34 HA LYS 34 -10.812 8.776 1.341 235 HB2 LYS 34 2HB LYS 34 -10.786 10.940 3.095 236 HB3 LYS 34 3HB LYS 34 -10.298 11.629 1.552 237 HG2 LYS 34 2HG LYS 34 -12.342 10.367 0.606 238 HG3 LYS 34 3HG LYS 34 -12.861 10.279 2.291 239 HD2 LYS 34 2HD LYS 34 -12.027 12.936 1.820 240 HD3 LYS 34 3HD LYS 34 -13.050 12.468 0.459 241 HE2 LYS 34 2HE LYS 34 -14.689 11.601 2.210 242 HE3 LYS 34 3HE LYS 34 -13.724 12.488 3.389 243 HZ1 LYS 34 1HZ LYS 34 -14.159 14.309 1.425 244 HZ2 LYS 34 2HZ LYS 34 -15.018 14.208 2.878 245 HZ3 LYS 34 3HZ LYS 34 -15.627 13.469 1.483 246 H ALA 35 HN ALA 35 -7.943 8.246 1.183 247 HA ALA 35 HA ALA 35 -7.341 9.831 -1.228 248 HB1 ALA 35 1HB ALA 35 -5.629 9.184 1.106 249 HB2 ALA 35 2HB ALA 35 -4.875 9.176 -0.490 250 HB3 ALA 35 3HB ALA 35 -5.677 10.633 0.098 251 H LEU 36 HN LEU 36 -6.900 6.745 0.451 252 HA LEU 36 HA LEU 36 -5.880 5.440 -1.911 253 HB2 LEU 36 2HB LEU 36 -6.637 4.473 0.832 254 HB3 LEU 36 3HB LEU 36 -6.138 3.374 -0.453 255 HG LEU 36 HG LEU 36 -4.390 5.638 0.468 256 HD11 LEU 36 1HD1 LEU 36 -3.216 3.685 1.721 257 HD12 LEU 36 2HD1 LEU 36 -4.820 2.952 1.699 258 HD13 LEU 36 3HD1 LEU 36 -4.577 4.519 2.473 259 HD21 LEU 36 1HD2 LEU 36 -4.228 3.539 -1.501 260 HD22 LEU 36 2HD2 LEU 36 -2.912 3.412 -0.333 261 HD23 LEU 36 3HD2 LEU 36 -3.155 4.912 -1.230 262 H GLY 37 HN GLY 37 -8.729 4.809 0.155 263 HA2 GLY 37 1HA GLY 37 -10.850 4.930 -1.351 264 HA3 GLY 37 2HA GLY 37 -10.051 3.595 -2.169 265 H SER 38 HN SER 38 -8.975 2.779 0.574 266 HA SER 38 HA SER 38 -9.527 1.310 2.222 267 HB2 SER 38 2HB SER 38 -10.987 3.073 3.060 268 HB3 SER 38 3HB SER 38 -12.258 2.589 1.938 269 HG SER 38 HG SER 38 -11.699 0.417 3.207 270 H LEU 39 HN LEU 39 -9.991 0.767 -0.732 271 HA LEU 39 HA LEU 39 -11.185 -1.843 -0.351 272 HB2 LEU 39 2HB LEU 39 -12.531 0.354 -1.766 273 HB3 LEU 39 3HB LEU 39 -12.471 -1.173 -2.643 274 HG LEU 39 HG LEU 39 -13.344 -1.942 -0.154 275 HD11 LEU 39 1HD1 LEU 39 -13.628 0.760 -0.057 276 HD12 LEU 39 2HD1 LEU 39 -14.610 -0.390 0.849 277 HD13 LEU 39 3HD1 LEU 39 -15.201 0.262 -0.678 278 HD21 LEU 39 1HD2 LEU 39 -14.298 -2.867 -2.082 279 HD22 LEU 39 2HD2 LEU 39 -14.769 -1.289 -2.715 280 HD23 LEU 39 3HD2 LEU 39 -15.615 -1.971 -1.325 281 H ALA 40 HN ALA 40 -8.599 -0.527 -1.142 282 HA ALA 40 HA ALA 40 -8.258 -1.774 -3.788 283 HB1 ALA 40 1HB ALA 40 -7.675 0.483 -4.002 284 HB2 ALA 40 2HB ALA 40 -6.824 0.502 -2.457 285 HB3 ALA 40 3HB ALA 40 -6.133 -0.357 -3.834 286 H VAL 41 HN VAL 41 -6.726 -3.325 -4.099 287 HA VAL 41 HA VAL 41 -5.215 -4.186 -1.718 288 HB VAL 41 HB VAL 41 -6.038 -6.055 -3.924 289 HG11 VAL 41 1HG1 VAL 41 -4.826 -7.491 -2.743 290 HG12 VAL 41 2HG1 VAL 41 -4.507 -6.261 -1.519 291 HG13 VAL 41 3HG1 VAL 41 -5.938 -7.284 -1.390 292 HG21 VAL 41 1HG2 VAL 41 -7.652 -5.045 -1.630 293 HG22 VAL 41 2HG2 VAL 41 -8.154 -5.437 -3.275 294 HG23 VAL 41 3HG2 VAL 41 -7.822 -6.730 -2.123 295 H GLY 42 HN GLY 42 -3.075 -4.125 -1.912 296 HA2 GLY 42 1HA GLY 42 -1.786 -4.780 -4.422 297 HA3 GLY 42 2HA GLY 42 -1.601 -3.106 -3.922 298 H HIS 43 HN HIS 43 0.281 -5.480 -4.180 299 HA HIS 43 HA HIS 43 1.241 -5.716 -1.432 300 HB2 HIS 43 2HB HIS 43 2.570 -7.520 -2.161 301 HB3 HIS 43 3HB HIS 43 1.065 -7.690 -3.059 302 HD1 HIS 43 1HD HIS 43 4.206 -8.510 -3.771 303 HD2 HIS 43 2HD HIS 43 1.755 -5.661 -5.546 304 HE1 HIS 43 1HE HIS 43 5.142 -8.160 -6.079 305 H LEU 44 HN LEU 44 2.610 -4.243 -0.695 306 HA LEU 44 HA LEU 44 3.773 -2.158 -1.902 307 HB2 LEU 44 2HB LEU 44 4.268 -3.648 0.487 308 HB3 LEU 44 3HB LEU 44 5.807 -3.149 -0.212 309 HG LEU 44 HG LEU 44 3.571 -1.440 0.826 310 HD11 LEU 44 1HD1 LEU 44 5.005 -1.661 2.561 311 HD12 LEU 44 2HD1 LEU 44 5.843 -0.357 1.723 312 HD13 LEU 44 3HD1 LEU 44 6.383 -2.023 1.523 313 HD21 LEU 44 1HD2 LEU 44 3.905 0.026 -0.812 314 HD22 LEU 44 2HD2 LEU 44 5.261 -0.900 -1.457 315 HD23 LEU 44 3HD2 LEU 44 5.526 0.268 -0.161 316 H THR 45 HN THR 45 5.499 -1.674 -3.175 317 HA THR 45 HA THR 45 6.654 -3.851 -4.683 318 HB THR 45 HB THR 45 7.314 -2.299 -6.247 319 HG1 THR 45 1HG THR 45 8.700 -1.045 -5.027 320 HG21 THR 45 1HG2 THR 45 4.793 -1.914 -5.169 321 HG22 THR 45 2HG2 THR 45 5.366 -1.303 -6.721 322 HG23 THR 45 3HG2 THR 45 5.453 -0.283 -5.285 323 H LYS 46 HN LYS 46 7.414 -3.837 -1.949 324 HA LYS 46 HA LYS 46 10.304 -3.330 -2.217 325 HB2 LYS 46 2HB LYS 46 8.425 -2.459 -0.148 326 HB3 LYS 46 3HB LYS 46 9.839 -3.281 0.500 327 HG2 LYS 46 2HG LYS 46 10.457 -1.291 -1.552 328 HG3 LYS 46 3HG LYS 46 9.695 -0.630 -0.103 329 HD2 LYS 46 2HD LYS 46 11.692 -2.539 0.652 330 HD3 LYS 46 3HD LYS 46 12.392 -1.367 -0.467 331 HE2 LYS 46 2HE LYS 46 12.157 0.361 0.985 332 HE3 LYS 46 3HE LYS 46 10.671 -0.285 1.681 333 HZ1 LYS 46 1HZ LYS 46 13.459 -0.873 2.385 334 HZ2 LYS 46 2HZ LYS 46 12.291 -2.072 2.623 335 HZ3 LYS 46 3HZ LYS 46 12.135 -0.575 3.395 336 H CYS 47 HN CYS 47 7.956 -5.118 -0.209 337 HA CYS 47 HA CYS 47 9.845 -7.376 -0.176 338 HB2 CYS 47 2HB CYS 47 8.495 -8.118 1.843 339 HB3 CYS 47 3HB CYS 47 9.467 -6.666 2.057 340 H SER 48 HN SER 48 6.822 -6.310 -1.303 341 HA SER 48 HA SER 48 5.398 -7.358 -2.780 342 HB2 SER 48 2HB SER 48 6.551 -10.044 -2.077 343 HB3 SER 48 3HB SER 48 5.800 -9.521 -3.585 344 HG SER 48 HG SER 48 7.904 -9.456 -4.059 345 H HIS 49 HN HIS 49 5.124 -6.991 0.151 346 HA HIS 49 HA HIS 49 3.392 -9.186 0.954 347 HB2 HIS 49 2HB HIS 49 4.223 -6.660 2.395 348 HB3 HIS 49 3HB HIS 49 3.202 -7.916 3.090 349 HD2 HIS 49 2HD HIS 49 6.361 -8.985 1.074 350 HE1 HIS 49 1HE HIS 49 7.089 -9.692 5.193 351 HE2 HIS 49 2HE HIS 49 7.980 -9.942 2.850 352 H ALA 50 HN ALA 50 1.258 -9.190 0.712 353 HA ALA 50 HA ALA 50 -0.049 -6.817 -0.351 354 HB1 ALA 50 1HB ALA 50 -1.899 -8.262 -0.871 355 HB2 ALA 50 2HB ALA 50 -0.403 -9.041 -1.388 356 HB3 ALA 50 3HB ALA 50 -1.204 -9.566 0.092 357 H PHE 51 HN PHE 51 -2.170 -6.155 0.489 358 HA PHE 51 HA PHE 51 -3.319 -6.869 2.872 359 HB2 PHE 51 2HB PHE 51 -2.261 -4.690 4.127 360 HB3 PHE 51 3HB PHE 51 -1.724 -6.347 4.385 361 HD1 PHE 51 1HD PHE 51 0.541 -6.057 4.873 362 HD2 PHE 51 2HD PHE 51 -1.121 -4.219 1.413 363 HE1 PHE 51 1HE PHE 51 2.801 -5.440 4.120 364 HE2 PHE 51 2HE PHE 51 1.135 -3.600 0.653 365 HZ PHE 51 HZ PHE 51 3.100 -4.211 2.006 366 H HIS 52 HN HIS 52 -4.152 -4.571 4.035 367 HA HIS 52 HA HIS 52 -5.721 -3.375 1.903 368 HB2 HIS 52 2HB HIS 52 -5.855 -3.199 4.913 369 HB3 HIS 52 3HB HIS 52 -6.881 -2.232 3.859 370 HD2 HIS 52 2HD HIS 52 -7.537 -4.786 1.753 371 HE1 HIS 52 1HE HIS 52 -9.313 -6.440 5.232 372 HE2 HIS 52 2HE HIS 52 -9.098 -6.603 2.729 373 H LEU 53 HN LEU 53 -4.476 -1.931 0.804 374 HA LEU 53 HA LEU 53 -2.465 -0.321 1.515 375 HB2 LEU 53 2HB LEU 53 -4.846 0.373 -0.184 376 HB3 LEU 53 3HB LEU 53 -3.443 1.428 -0.037 377 HG LEU 53 HG LEU 53 -3.178 -1.412 -0.975 378 HD11 LEU 53 1HD1 LEU 53 -3.383 0.874 -2.884 379 HD12 LEU 53 2HD1 LEU 53 -4.844 0.065 -2.316 380 HD13 LEU 53 3HD1 LEU 53 -3.604 -0.853 -3.168 381 HD21 LEU 53 1HD2 LEU 53 -1.147 -0.565 -2.000 382 HD22 LEU 53 2HD2 LEU 53 -1.153 -0.217 -0.271 383 HD23 LEU 53 3HD2 LEU 53 -1.515 1.063 -1.430 384 H LEU 54 HN LEU 54 -5.781 0.066 2.527 385 HA LEU 54 HA LEU 54 -5.530 2.705 3.553 386 HB2 LEU 54 2HB LEU 54 -7.715 2.028 3.129 387 HB3 LEU 54 3HB LEU 54 -7.489 0.474 3.929 388 HG LEU 54 HG LEU 54 -7.929 1.322 6.005 389 HD11 LEU 54 1HD1 LEU 54 -6.526 3.688 4.982 390 HD12 LEU 54 2HD1 LEU 54 -6.486 2.942 6.579 391 HD13 LEU 54 3HD1 LEU 54 -7.808 4.026 6.145 392 HD21 LEU 54 1HD2 LEU 54 -9.378 3.444 4.455 393 HD22 LEU 54 2HD2 LEU 54 -9.898 2.580 5.901 394 HD23 LEU 54 3HD2 LEU 54 -9.835 1.744 4.349 395 H CYS 55 HN CYS 55 -5.743 -0.433 5.242 396 HA CYS 55 HA CYS 55 -5.236 0.413 7.805 397 HB2 CYS 55 2HB CYS 55 -4.440 -2.142 6.413 398 HB3 CYS 55 3HB CYS 55 -4.203 -1.888 8.138 399 H LEU 56 HN LEU 56 -2.847 -0.496 5.337 400 HA LEU 56 HA LEU 56 -0.541 -0.193 6.855 401 HB2 LEU 56 2HB LEU 56 -0.975 0.359 3.924 402 HB3 LEU 56 3HB LEU 56 0.604 0.227 4.696 403 HG LEU 56 HG LEU 56 -0.268 -2.146 5.386 404 HD11 LEU 56 1HD1 LEU 56 -2.136 -1.295 3.220 405 HD12 LEU 56 2HD1 LEU 56 -2.456 -2.230 4.681 406 HD13 LEU 56 3HD1 LEU 56 -1.622 -2.979 3.319 407 HD21 LEU 56 1HD2 LEU 56 1.154 -2.930 3.830 408 HD22 LEU 56 2HD2 LEU 56 1.473 -1.222 3.535 409 HD23 LEU 56 3HD2 LEU 56 0.336 -2.098 2.508 410 H LEU 57 HN LEU 57 -1.988 2.216 4.653 411 HA LEU 57 HA LEU 57 -0.346 4.345 5.101 412 HB2 LEU 57 2HB LEU 57 -2.166 4.405 3.507 413 HB3 LEU 57 3HB LEU 57 -3.346 4.374 4.815 414 HG LEU 57 HG LEU 57 -2.263 6.608 5.537 415 HD11 LEU 57 1HD1 LEU 57 -1.518 7.816 3.358 416 HD12 LEU 57 2HD1 LEU 57 -1.121 6.188 2.811 417 HD13 LEU 57 3HD1 LEU 57 -0.360 6.841 4.261 418 HD21 LEU 57 1HD2 LEU 57 -3.799 7.835 4.166 419 HD22 LEU 57 2HD2 LEU 57 -4.539 6.287 4.580 420 HD23 LEU 57 3HD2 LEU 57 -3.849 6.534 2.975 421 H ALA 58 HN ALA 58 -2.649 2.965 7.297 422 HA ALA 58 HA ALA 58 -2.860 5.173 9.074 423 HB1 ALA 58 1HB ALA 58 -3.220 2.657 10.414 424 HB2 ALA 58 2HB ALA 58 -4.413 3.895 10.015 425 HB3 ALA 58 3HB ALA 58 -4.022 2.636 8.843 426 H MET 59 HN MET 59 -1.238 2.040 9.627 427 HA MET 59 HA MET 59 0.364 3.115 11.736 428 HB2 MET 59 2HB MET 59 1.500 0.873 11.631 429 HB3 MET 59 3HB MET 59 -0.239 0.811 11.885 430 HG2 MET 59 2HG MET 59 -0.393 -0.576 10.175 431 HG3 MET 59 3HG MET 59 0.128 0.730 9.114 432 HE1 MET 59 1HE MET 59 1.431 -0.748 7.278 433 HE2 MET 59 2HE MET 59 2.124 0.781 7.816 434 HE3 MET 59 3HE MET 59 3.162 -0.628 7.590 435 H TYR 60 HN TYR 60 0.589 3.312 8.415 436 HA TYR 60 HA TYR 60 3.288 2.955 7.853 437 HB2 TYR 60 2HB TYR 60 2.565 3.552 5.826 438 HB3 TYR 60 3HB TYR 60 1.022 4.025 6.527 439 HD1 TYR 60 1HD TYR 60 3.808 5.145 4.701 440 HD2 TYR 60 2HD TYR 60 0.998 6.422 7.629 441 HE1 TYR 60 1HE TYR 60 4.266 7.487 4.110 442 HE2 TYR 60 2HE TYR 60 1.448 8.768 7.045 443 HH TYR 60 HH TYR 60 3.230 10.100 6.017 444 H CYS 61 HN CYS 61 1.658 5.543 9.510 445 HA CYS 61 HA CYS 61 3.595 7.554 9.287 446 HB2 CYS 61 2HB CYS 61 1.139 7.338 10.487 447 HB3 CYS 61 3HB CYS 61 2.212 7.431 11.877 448 HG CYS 61 HG CYS 61 0.979 9.890 10.337 449 H ASN 62 HN ASN 62 3.836 4.554 10.739 450 HA ASN 62 HA ASN 62 5.607 5.329 12.890 451 HB2 ASN 62 2HB ASN 62 4.142 3.394 13.182 452 HB3 ASN 62 3HB ASN 62 4.888 2.599 11.799 453 HD21 ASN 62 1HD2 ASN 62 4.709 1.615 14.476 454 HD22 ASN 62 2HD2 ASN 62 6.324 1.405 15.051 455 H GLY 63 HN GLY 63 5.910 3.555 9.816 456 HA2 GLY 63 1HA GLY 63 8.729 4.395 9.723 457 HA3 GLY 63 2HA GLY 63 8.324 2.701 9.489 458 H ASN 64 HN ASN 64 9.577 3.308 7.448 459 HA ASN 64 HA ASN 64 9.571 3.527 5.185 460 HB2 ASN 64 2HB ASN 64 6.783 2.858 5.852 461 HB3 ASN 64 3HB ASN 64 6.986 3.669 4.303 462 HD21 ASN 64 1HD2 ASN 64 6.300 1.740 3.287 463 HD22 ASN 64 2HD2 ASN 64 7.384 0.409 3.090 464 H LYS 65 HN LYS 65 6.581 5.306 5.918 465 HA LYS 65 HA LYS 65 5.918 7.393 5.228 466 HB2 LYS 65 2HB LYS 65 8.114 7.550 7.079 467 HB3 LYS 65 3HB LYS 65 8.165 8.926 5.985 468 HG2 LYS 65 2HG LYS 65 6.597 9.915 7.187 469 HG3 LYS 65 3HG LYS 65 5.479 8.609 6.785 470 HD2 LYS 65 2HD LYS 65 5.448 8.444 9.062 471 HD3 LYS 65 3HD LYS 65 6.804 7.370 8.713 472 HE2 LYS 65 2HE LYS 65 8.148 9.658 8.895 473 HE3 LYS 65 3HE LYS 65 6.778 10.082 9.921 474 HZ1 LYS 65 1HZ LYS 65 8.546 9.136 11.234 475 HZ2 LYS 65 2HZ LYS 65 8.572 7.743 10.278 476 HZ3 LYS 65 3HZ LYS 65 7.221 8.085 11.237 477 H ASP 66 HN ASP 66 6.038 6.957 2.956 478 HA ASP 66 HA ASP 66 7.915 8.717 1.613 479 HB2 ASP 66 2HB ASP 66 9.125 6.590 1.625 480 HB3 ASP 66 3HB ASP 66 7.729 5.777 0.920 481 H GLY 67 HN GLY 67 5.466 9.470 1.768 482 HA2 GLY 67 1HA GLY 67 3.471 9.871 0.683 483 HA3 GLY 67 2HA GLY 67 4.484 9.825 -0.752 484 H SER 68 HN SER 68 3.363 7.319 1.522 485 HA SER 68 HA SER 68 1.589 6.124 -0.350 486 HB2 SER 68 2HB SER 68 4.311 4.860 0.017 487 HB3 SER 68 3HB SER 68 2.913 3.977 -0.597 488 HG SER 68 HG SER 68 4.525 5.231 -2.071 489 H LEU 69 HN LEU 69 3.581 4.030 1.563 490 HA LEU 69 HA LEU 69 2.186 4.217 4.012 491 HB2 LEU 69 2HB LEU 69 1.045 1.959 3.807 492 HB3 LEU 69 3HB LEU 69 0.286 3.322 2.988 493 HG LEU 69 HG LEU 69 0.512 0.964 1.832 494 HD11 LEU 69 1HD1 LEU 69 1.187 3.380 0.191 495 HD12 LEU 69 2HD1 LEU 69 -0.389 3.197 0.959 496 HD13 LEU 69 3HD1 LEU 69 0.158 2.009 -0.223 497 HD21 LEU 69 1HD2 LEU 69 3.090 2.290 1.008 498 HD22 LEU 69 2HD2 LEU 69 2.461 0.734 0.464 499 HD23 LEU 69 3HD2 LEU 69 2.989 0.938 2.136 500 H GLN 70 HN GLN 70 2.404 1.800 5.110 501 HA GLN 70 HA GLN 70 5.140 0.888 4.528 502 HB2 GLN 70 2HB GLN 70 4.967 2.422 6.546 503 HB3 GLN 70 3HB GLN 70 4.022 1.153 7.317 504 HG2 GLN 70 2HG GLN 70 5.920 -0.389 7.052 505 HG3 GLN 70 3HG GLN 70 6.864 0.925 6.351 506 HE21 GLN 70 1HE2 GLN 70 8.127 -0.017 8.320 507 HE22 GLN 70 2HE2 GLN 70 7.931 0.867 9.790 508 H CYS 71 HN CYS 71 5.624 -1.282 5.281 509 HA CYS 71 HA CYS 71 3.321 -3.026 4.958 510 HB2 CYS 71 2HB CYS 71 5.147 -3.696 3.629 511 HB3 CYS 71 3HB CYS 71 6.299 -3.463 4.942 512 HA PRO 72 HA PRO 72 3.092 -3.379 9.425 513 HB2 PRO 72 2HB PRO 72 0.805 -4.840 9.427 514 HB3 PRO 72 3HB PRO 72 0.825 -3.088 9.198 515 HG2 PRO 72 2HG PRO 72 0.618 -5.264 7.153 516 HG3 PRO 72 3HG PRO 72 -0.281 -3.739 7.258 517 HD2 PRO 72 2HD PRO 72 1.827 -4.078 5.591 518 HD3 PRO 72 3HD PRO 72 1.444 -2.515 6.341 519 H SER 73 HN SER 73 3.357 -5.831 7.020 520 HA SER 73 HA SER 73 3.336 -8.106 8.716 521 HB2 SER 73 2HB SER 73 3.644 -7.580 5.928 522 HB3 SER 73 3HB SER 73 4.990 -8.595 6.445 523 HG SER 73 HG SER 73 3.587 -10.151 6.302 524 H CYS 74 HN CYS 74 6.175 -7.161 6.828 525 HA CYS 74 HA CYS 74 7.853 -7.838 9.133 526 HB2 CYS 74 2HB CYS 74 9.653 -8.144 7.579 527 HB3 CYS 74 3HB CYS 74 8.240 -8.963 6.922 528 H LYS 75 HN LYS 75 6.412 -5.300 8.909 529 HA LYS 75 HA LYS 75 6.735 -3.046 9.097 530 HB2 LYS 75 2HB LYS 75 9.338 -4.026 10.283 531 HB3 LYS 75 3HB LYS 75 8.685 -2.404 10.479 532 HG2 LYS 75 2HG LYS 75 7.246 -4.891 11.367 533 HG3 LYS 75 3HG LYS 75 8.311 -3.947 12.410 534 HD2 LYS 75 2HD LYS 75 6.800 -1.952 11.643 535 HD3 LYS 75 3HD LYS 75 5.645 -3.232 11.269 536 HE2 LYS 75 2HE LYS 75 5.096 -3.408 13.414 537 HE3 LYS 75 3HE LYS 75 6.777 -3.710 13.849 538 HZ1 LYS 75 1HZ LYS 75 5.525 -1.036 13.530 539 HZ2 LYS 75 2HZ LYS 75 7.141 -1.320 13.940 540 HZ3 LYS 75 3HZ LYS 75 5.906 -1.779 15.002 541 H THR 76 HN THR 76 7.249 -3.847 6.541 542 HA THR 76 HA THR 76 9.677 -2.357 5.789 543 HB THR 76 HB THR 76 8.256 -4.649 4.471 544 HG1 THR 76 1HG THR 76 10.476 -4.365 5.852 545 HG21 THR 76 1HG2 THR 76 10.075 -2.644 3.139 546 HG22 THR 76 2HG2 THR 76 8.425 -3.065 2.684 547 HG23 THR 76 3HG2 THR 76 9.722 -4.240 2.477 Start of MODEL 17 1 H1 ASN 1 HN ASN 1 1.947 2.491 -6.259 2 HA ASN 1 HA ASN 1 3.752 4.687 -6.488 3 HB2 ASN 1 2HB ASN 1 1.859 4.655 -4.259 4 HB3 ASN 1 3HB ASN 1 3.537 4.725 -3.730 5 HD21 ASN 1 1HD2 ASN 1 1.105 6.642 -4.049 6 HD22 ASN 1 2HD2 ASN 1 1.837 8.070 -4.688 7 H TYR 2 HN TYR 2 3.135 2.555 -3.717 8 HA TYR 2 HA TYR 2 5.847 1.538 -3.908 9 HB2 TYR 2 2HB TYR 2 3.663 1.023 -1.880 10 HB3 TYR 2 3HB TYR 2 5.307 0.404 -1.766 11 HD1 TYR 2 1HD TYR 2 5.737 3.474 -3.215 12 HD2 TYR 2 2HD TYR 2 4.606 1.775 0.518 13 HE1 TYR 2 1HE TYR 2 6.435 5.537 -2.072 14 HE2 TYR 2 2HE TYR 2 5.299 3.834 1.672 15 HH TYR 2 HH TYR 2 6.740 5.736 1.335 16 H THR 3 HN THR 3 2.593 0.499 -4.550 17 HA THR 3 HA THR 3 3.643 -1.993 -5.671 18 HB THR 3 HB THR 3 2.763 -3.238 -4.042 19 HG1 THR 3 1HG THR 3 0.265 -2.146 -4.886 20 HG21 THR 3 1HG2 THR 3 1.064 -0.956 -3.049 21 HG22 THR 3 2HG2 THR 3 2.774 -1.123 -2.651 22 HG23 THR 3 3HG2 THR 3 1.627 -2.364 -2.149 23 H GLU 4 HN GLU 4 1.780 -3.157 -6.890 24 HA GLU 4 HA GLU 4 0.295 -1.105 -8.394 25 HB2 GLU 4 2HB GLU 4 1.567 -1.967 -10.064 26 HB3 GLU 4 3HB GLU 4 1.829 -3.487 -9.221 27 HG2 GLU 4 2HG GLU 4 -0.002 -4.474 -10.126 28 HG3 GLU 4 3HG GLU 4 -0.894 -2.959 -10.253 29 H GLU 5 HN GLU 5 -1.777 -1.083 -7.829 30 HA GLU 5 HA GLU 5 -3.259 -2.741 -6.357 31 HB2 GLU 5 2HB GLU 5 -3.954 -0.593 -7.626 32 HB3 GLU 5 3HB GLU 5 -4.473 -1.691 -8.898 33 HG2 GLU 5 2HG GLU 5 -5.897 -2.847 -7.195 34 HG3 GLU 5 3HG GLU 5 -5.491 -1.550 -6.072 35 H LEU 6 HN LEU 6 -4.250 -4.689 -6.466 36 HA LEU 6 HA LEU 6 -3.501 -6.428 -8.663 37 HB2 LEU 6 2HB LEU 6 -5.137 -7.135 -6.241 38 HB3 LEU 6 3HB LEU 6 -4.248 -8.228 -7.300 39 HG LEU 6 HG LEU 6 -3.128 -6.311 -5.264 40 HD11 LEU 6 1HD1 LEU 6 -2.982 -8.085 -3.943 41 HD12 LEU 6 2HD1 LEU 6 -2.156 -9.011 -5.195 42 HD13 LEU 6 3HD1 LEU 6 -3.917 -8.994 -5.131 43 HD21 LEU 6 1HD2 LEU 6 -0.950 -7.563 -6.115 44 HD22 LEU 6 2HD2 LEU 6 -1.505 -6.053 -6.838 45 HD23 LEU 6 3HD2 LEU 6 -1.863 -7.592 -7.624 46 H LYS 7 HN LYS 7 -6.276 -4.708 -7.536 47 HA LYS 7 HA LYS 7 -8.243 -4.273 -8.643 48 HB2 LYS 7 2HB LYS 7 -6.771 -5.171 -10.694 49 HB3 LYS 7 3HB LYS 7 -7.919 -6.498 -10.587 50 HG2 LYS 7 2HG LYS 7 -9.770 -4.955 -10.859 51 HG3 LYS 7 3HG LYS 7 -8.648 -3.592 -10.900 52 HD2 LYS 7 2HD LYS 7 -7.652 -5.282 -12.833 53 HD3 LYS 7 3HD LYS 7 -9.399 -5.463 -13.005 54 HE2 LYS 7 2HE LYS 7 -9.460 -2.894 -12.944 55 HE3 LYS 7 3HE LYS 7 -7.726 -2.984 -13.254 56 HZ1 LYS 7 1HZ LYS 7 -9.566 -4.492 -14.976 57 HZ2 LYS 7 2HZ LYS 7 -8.050 -3.837 -15.340 58 HZ3 LYS 7 3HZ LYS 7 -9.401 -2.825 -15.216 59 H VAL 8 HN VAL 8 -7.222 -7.270 -7.441 60 HA VAL 8 HA VAL 8 -9.974 -7.945 -6.729 61 HB VAL 8 HB VAL 8 -9.685 -10.305 -7.304 62 HG11 VAL 8 1HG1 VAL 8 -9.137 -8.536 -9.684 63 HG12 VAL 8 2HG1 VAL 8 -9.932 -10.111 -9.694 64 HG13 VAL 8 3HG1 VAL 8 -10.712 -8.733 -8.917 65 HG21 VAL 8 1HG2 VAL 8 -7.084 -10.007 -7.188 66 HG22 VAL 8 2HG2 VAL 8 -7.799 -11.218 -8.252 67 HG23 VAL 8 3HG2 VAL 8 -7.253 -9.677 -8.912 68 HA PRO 9 HA PRO 9 -8.146 -8.783 -2.816 69 HB2 PRO 9 2HB PRO 9 -10.047 -10.419 -1.776 70 HB3 PRO 9 3HB PRO 9 -10.276 -8.676 -1.962 71 HG2 PRO 9 2HG PRO 9 -11.230 -10.909 -3.712 72 HG3 PRO 9 3HG PRO 9 -12.097 -9.457 -3.180 73 HD2 PRO 9 2HD PRO 9 -10.982 -9.670 -5.639 74 HD3 PRO 9 3HD PRO 9 -11.097 -8.125 -4.772 75 HA PRO 10 HA PRO 10 -6.076 -12.645 -3.933 76 HB2 PRO 10 2HB PRO 10 -3.929 -12.214 -2.329 77 HB3 PRO 10 3HB PRO 10 -4.103 -11.468 -3.922 78 HG2 PRO 10 2HG PRO 10 -4.657 -10.310 -1.217 79 HG3 PRO 10 3HG PRO 10 -3.849 -9.566 -2.609 80 HD2 PRO 10 2HD PRO 10 -6.435 -9.059 -1.983 81 HD3 PRO 10 3HD PRO 10 -5.840 -9.062 -3.656 82 H ASP 11 HN ASP 11 -4.577 -13.985 -2.096 83 HA ASP 11 HA ASP 11 -6.488 -14.561 0.072 84 HB2 ASP 11 2HB ASP 11 -6.449 -16.338 -1.643 85 HB3 ASP 11 3HB ASP 11 -4.717 -16.531 -1.389 86 H GLU 12 HN GLU 12 -4.950 -12.797 0.979 87 HA GLU 12 HA GLU 12 -2.699 -14.162 2.303 88 HB2 GLU 12 2HB GLU 12 -2.889 -11.449 1.080 89 HB3 GLU 12 3HB GLU 12 -1.894 -11.643 2.516 90 HG2 GLU 12 2HG GLU 12 -1.474 -13.630 0.386 91 HG3 GLU 12 3HG GLU 12 -0.995 -11.976 0.009 92 H ASP 13 HN ASP 13 -5.508 -12.169 2.610 93 HA ASP 13 HA ASP 13 -6.732 -11.512 4.413 94 HB2 ASP 13 2HB ASP 13 -4.898 -13.347 5.970 95 HB3 ASP 13 3HB ASP 13 -6.430 -12.691 6.540 96 H CYS 14 HN CYS 14 -6.629 -9.551 5.265 97 HA CYS 14 HA CYS 14 -4.416 -7.965 5.453 98 HB2 CYS 14 2HB CYS 14 -6.749 -7.159 5.654 99 HB3 CYS 14 3HB CYS 14 -6.825 -7.828 7.280 100 H ILE 15 HN ILE 15 -3.107 -7.211 7.188 101 HA ILE 15 HA ILE 15 -2.722 -9.229 9.298 102 HB ILE 15 HB ILE 15 -0.554 -7.294 8.759 103 HG12 ILE 15 2HG1 ILE 15 -1.189 -9.543 6.836 104 HG13 ILE 15 3HG1 ILE 15 -1.319 -7.825 6.478 105 HG21 ILE 15 1HG2 ILE 15 -0.639 -9.313 10.381 106 HG22 ILE 15 2HG2 ILE 15 -0.315 -10.268 8.936 107 HG23 ILE 15 3HG2 ILE 15 0.825 -9.023 9.442 108 HD11 ILE 15 1HD1 ILE 15 1.209 -9.321 7.129 109 HD12 ILE 15 2HD1 ILE 15 0.708 -8.740 5.540 110 HD13 ILE 15 3HD1 ILE 15 1.095 -7.588 6.818 111 H ILE 16 HN ILE 16 -3.495 -5.959 8.660 112 HA ILE 16 HA ILE 16 -2.697 -4.909 11.212 113 HB ILE 16 HB ILE 16 -4.708 -3.656 9.354 114 HG12 ILE 16 2HG1 ILE 16 -2.156 -4.412 8.587 115 HG13 ILE 16 3HG1 ILE 16 -3.140 -3.170 7.820 116 HG21 ILE 16 1HG2 ILE 16 -4.630 -2.447 11.343 117 HG22 ILE 16 2HG2 ILE 16 -2.891 -2.672 11.524 118 HG23 ILE 16 3HG2 ILE 16 -3.514 -1.578 10.290 119 HD11 ILE 16 1HD1 ILE 16 -0.728 -2.611 8.513 120 HD12 ILE 16 2HD1 ILE 16 -2.007 -1.449 8.871 121 HD13 ILE 16 3HD1 ILE 16 -1.387 -2.500 10.145 122 H CYS 17 HN CYS 17 -5.940 -5.141 9.742 123 HA CYS 17 HA CYS 17 -7.172 -5.139 12.352 124 HB2 CYS 17 2HB CYS 17 -9.293 -5.208 11.101 125 HB3 CYS 17 3HB CYS 17 -8.235 -3.927 10.518 126 H MET 18 HN MET 18 -5.784 -7.478 10.447 127 HA MET 18 HA MET 18 -5.786 -9.752 10.468 128 HB2 MET 18 2HB MET 18 -7.059 -9.136 13.120 129 HB3 MET 18 3HB MET 18 -6.852 -10.798 12.583 130 HG2 MET 18 2HG MET 18 -4.385 -9.480 12.203 131 HG3 MET 18 3HG MET 18 -4.965 -9.065 13.813 132 HE1 MET 18 1HE MET 18 -2.180 -11.815 13.327 133 HE2 MET 18 2HE MET 18 -3.135 -12.485 12.004 134 HE3 MET 18 3HE MET 18 -2.811 -10.751 12.070 135 H GLU 19 HN GLU 19 -7.739 -8.601 8.898 136 HA GLU 19 HA GLU 19 -9.976 -10.494 9.216 137 HB2 GLU 19 2HB GLU 19 -10.090 -7.707 8.047 138 HB3 GLU 19 3HB GLU 19 -11.435 -8.836 8.137 139 HG2 GLU 19 2HG GLU 19 -10.031 -8.118 10.652 140 HG3 GLU 19 3HG GLU 19 -11.103 -6.928 9.918 141 H LYS 20 HN LYS 20 -11.012 -11.149 7.201 142 HA LYS 20 HA LYS 20 -9.248 -12.163 5.327 143 HB2 LYS 20 2HB LYS 20 -12.130 -11.966 5.626 144 HB3 LYS 20 3HB LYS 20 -11.648 -11.857 3.939 145 HG2 LYS 20 2HG LYS 20 -10.179 -13.967 5.141 146 HG3 LYS 20 3HG LYS 20 -11.883 -14.161 5.562 147 HD2 LYS 20 2HD LYS 20 -12.536 -14.377 3.351 148 HD3 LYS 20 3HD LYS 20 -11.105 -13.545 2.741 149 HE2 LYS 20 2HE LYS 20 -9.728 -15.432 3.154 150 HE3 LYS 20 3HE LYS 20 -10.985 -16.227 4.100 151 HZ1 LYS 20 1HZ LYS 20 -12.177 -16.770 2.220 152 HZ2 LYS 20 2HZ LYS 20 -10.586 -16.957 1.679 153 HZ3 LYS 20 3HZ LYS 20 -11.460 -15.567 1.269 154 H LEU 21 HN LEU 21 -8.371 -11.465 3.453 155 HA LEU 21 HA LEU 21 -8.257 -8.678 2.936 156 HB2 LEU 21 2HB LEU 21 -7.094 -11.129 1.807 157 HB3 LEU 21 3HB LEU 21 -7.276 -9.799 0.666 158 HG LEU 21 HG LEU 21 -5.685 -9.784 3.228 159 HD11 LEU 21 1HD1 LEU 21 -3.791 -9.885 1.946 160 HD12 LEU 21 2HD1 LEU 21 -4.586 -9.221 0.519 161 HD13 LEU 21 3HD1 LEU 21 -4.880 -10.895 0.993 162 HD21 LEU 21 1HD2 LEU 21 -4.969 -7.504 2.283 163 HD22 LEU 21 2HD2 LEU 21 -6.525 -7.614 3.108 164 HD23 LEU 21 3HD2 LEU 21 -6.461 -7.585 1.345 165 H SER 22 HN SER 22 -10.604 -10.922 2.217 166 HA SER 22 HA SER 22 -11.369 -9.896 -0.368 167 HB2 SER 22 2HB SER 22 -12.675 -11.731 -0.490 168 HB3 SER 22 3HB SER 22 -11.855 -12.254 0.981 169 HG SER 22 HG SER 22 -14.009 -12.327 1.424 170 H THR 23 HN THR 23 -12.657 -9.733 2.937 171 HA THR 23 HA THR 23 -14.917 -8.198 2.439 172 HB THR 23 HB THR 23 -14.553 -7.335 4.831 173 HG1 THR 23 1HG THR 23 -12.526 -9.335 4.818 174 HG21 THR 23 1HG2 THR 23 -14.893 -9.714 5.761 175 HG22 THR 23 2HG2 THR 23 -14.807 -10.231 4.077 176 HG23 THR 23 3HG2 THR 23 -16.063 -9.105 4.591 177 H ALA 24 HN ALA 24 -12.416 -6.626 4.319 178 HA ALA 24 HA ALA 24 -11.421 -4.770 2.548 179 HB1 ALA 24 1HB ALA 24 -14.097 -3.983 3.649 180 HB2 ALA 24 2HB ALA 24 -12.898 -2.772 3.195 181 HB3 ALA 24 3HB ALA 24 -13.511 -3.901 1.987 182 H SER 25 HN SER 25 -10.890 -2.579 3.761 183 HA SER 25 HA SER 25 -9.264 -3.224 5.931 184 HB2 SER 25 2HB SER 25 -8.521 -1.258 5.067 185 HB3 SER 25 3HB SER 25 -10.138 -0.740 4.591 186 HG SER 25 HG SER 25 -10.152 0.446 6.312 187 H GLY 26 HN GLY 26 -9.529 -3.253 8.096 188 HA2 GLY 26 1HA GLY 26 -12.238 -3.149 9.112 189 HA3 GLY 26 2HA GLY 26 -10.802 -3.626 10.006 190 H TYR 27 HN TYR 27 -9.530 -1.031 8.990 191 HA TYR 27 HA TYR 27 -10.470 0.583 11.223 192 HB2 TYR 27 2HB TYR 27 -8.107 0.915 9.365 193 HB3 TYR 27 3HB TYR 27 -8.479 1.992 10.706 194 HD1 TYR 27 1HD TYR 27 -9.467 -1.086 11.853 195 HD2 TYR 27 2HD TYR 27 -5.909 1.049 10.915 196 HE1 TYR 27 1HE TYR 27 -8.198 -2.545 13.374 197 HE2 TYR 27 2HE TYR 27 -4.630 -0.404 12.433 198 HH TYR 27 HH TYR 27 -6.142 -2.542 14.637 199 H SER 28 HN SER 28 -11.422 0.225 8.146 200 HA SER 28 HA SER 28 -11.473 2.719 6.957 201 HB2 SER 28 2HB SER 28 -12.285 1.035 5.584 202 HB3 SER 28 3HB SER 28 -13.303 0.350 6.851 203 HG SER 28 HG SER 28 -14.822 1.420 5.865 204 H ASP 29 HN ASP 29 -13.035 1.694 9.808 205 HA ASP 29 HA ASP 29 -15.303 3.352 9.823 206 HB2 ASP 29 2HB ASP 29 -14.105 1.528 11.581 207 HB3 ASP 29 3HB ASP 29 -14.155 3.052 12.464 208 H VAL 30 HN VAL 30 -11.950 3.946 10.708 209 HA VAL 30 HA VAL 30 -12.275 6.768 10.414 210 HB VAL 30 HB VAL 30 -13.187 6.704 12.623 211 HG11 VAL 30 1HG1 VAL 30 -11.738 4.423 12.977 212 HG12 VAL 30 2HG1 VAL 30 -10.853 5.570 13.984 213 HG13 VAL 30 3HG1 VAL 30 -12.574 5.297 14.260 214 HG21 VAL 30 1HG2 VAL 30 -10.294 7.494 12.918 215 HG22 VAL 30 2HG2 VAL 30 -11.499 8.469 12.077 216 HG23 VAL 30 3HG2 VAL 30 -11.679 8.139 13.800 217 H THR 31 HN THR 31 -10.586 6.391 8.928 218 HA THR 31 HA THR 31 -7.969 5.819 10.159 219 HB THR 31 HB THR 31 -7.677 5.620 7.376 220 HG1 THR 31 1HG THR 31 -9.954 5.398 7.210 221 HG21 THR 31 1HG2 THR 31 -8.075 3.292 9.240 222 HG22 THR 31 2HG2 THR 31 -6.630 4.303 9.290 223 HG23 THR 31 3HG2 THR 31 -7.024 3.398 7.828 224 H ASP 32 HN ASP 32 -9.865 8.081 8.385 225 HA ASP 32 HA ASP 32 -9.461 10.318 8.029 226 HB2 ASP 32 2HB ASP 32 -7.613 9.877 9.885 227 HB3 ASP 32 3HB ASP 32 -6.528 10.059 8.510 228 H SER 33 HN SER 33 -8.845 7.875 6.249 229 HA SER 33 HA SER 33 -7.035 9.077 4.304 230 HB2 SER 33 2HB SER 33 -7.434 6.886 3.074 231 HB3 SER 33 3HB SER 33 -6.643 6.750 4.644 232 HG SER 33 HG SER 33 -9.341 6.202 3.988 233 H LYS 34 HN LYS 34 -7.758 10.310 2.714 234 HA LYS 34 HA LYS 34 -10.603 10.198 2.009 235 HB2 LYS 34 2HB LYS 34 -9.024 12.347 2.594 236 HB3 LYS 34 3HB LYS 34 -8.945 12.330 0.837 237 HG2 LYS 34 2HG LYS 34 -11.202 12.743 0.598 238 HG3 LYS 34 3HG LYS 34 -11.589 12.135 2.210 239 HD2 LYS 34 2HD LYS 34 -11.735 14.335 2.701 240 HD3 LYS 34 3HD LYS 34 -9.982 14.196 2.861 241 HE2 LYS 34 2HE LYS 34 -9.968 14.732 0.321 242 HE3 LYS 34 3HE LYS 34 -11.598 15.339 0.614 243 HZ1 LYS 34 1HZ LYS 34 -9.702 16.291 2.537 244 HZ2 LYS 34 2HZ LYS 34 -10.802 17.157 1.587 245 HZ3 LYS 34 3HZ LYS 34 -9.289 16.736 0.958 246 H ALA 35 HN ALA 35 -8.153 8.526 1.053 247 HA ALA 35 HA ALA 35 -8.743 8.801 -1.822 248 HB1 ALA 35 1HB ALA 35 -6.199 8.711 -0.426 249 HB2 ALA 35 2HB ALA 35 -6.319 7.491 -1.694 250 HB3 ALA 35 3HB ALA 35 -6.565 9.193 -2.082 251 H LEU 36 HN LEU 36 -7.658 6.497 0.668 252 HA LEU 36 HA LEU 36 -8.399 4.221 -0.925 253 HB2 LEU 36 2HB LEU 36 -7.720 4.325 2.008 254 HB3 LEU 36 3HB LEU 36 -7.722 2.899 0.972 255 HG LEU 36 HG LEU 36 -5.935 4.838 -0.126 256 HD11 LEU 36 1HD1 LEU 36 -5.344 5.889 1.786 257 HD12 LEU 36 2HD1 LEU 36 -4.330 4.459 1.975 258 HD13 LEU 36 3HD1 LEU 36 -5.876 4.561 2.816 259 HD21 LEU 36 1HD2 LEU 36 -5.686 2.090 1.064 260 HD22 LEU 36 2HD2 LEU 36 -4.297 2.964 0.416 261 HD23 LEU 36 3HD2 LEU 36 -5.655 2.561 -0.635 262 H GLY 37 HN GLY 37 -10.409 3.519 -1.169 263 HA2 GLY 37 1HA GLY 37 -12.466 4.341 0.730 264 HA3 GLY 37 2HA GLY 37 -12.735 3.589 -0.836 265 H SER 38 HN SER 38 -10.377 2.144 1.206 266 HA SER 38 HA SER 38 -10.284 0.144 2.286 267 HB2 SER 38 2HB SER 38 -11.952 -0.330 3.853 268 HB3 SER 38 3HB SER 38 -12.131 1.408 3.620 269 HG SER 38 HG SER 38 -14.153 0.628 3.414 270 H LEU 39 HN LEU 39 -10.387 -0.139 -0.369 271 HA LEU 39 HA LEU 39 -11.547 -2.731 -0.687 272 HB2 LEU 39 2HB LEU 39 -13.130 -2.305 -2.369 273 HB3 LEU 39 3HB LEU 39 -13.470 -1.148 -1.084 274 HG LEU 39 HG LEU 39 -11.694 0.019 -3.022 275 HD11 LEU 39 1HD1 LEU 39 -12.463 -1.108 -4.832 276 HD12 LEU 39 2HD1 LEU 39 -13.748 0.093 -4.714 277 HD13 LEU 39 3HD1 LEU 39 -13.994 -1.526 -4.063 278 HD21 LEU 39 1HD2 LEU 39 -13.207 1.128 -1.342 279 HD22 LEU 39 2HD2 LEU 39 -14.557 0.711 -2.399 280 HD23 LEU 39 3HD2 LEU 39 -13.279 1.781 -2.979 281 H ALA 40 HN ALA 40 -8.956 -2.067 -0.806 282 HA ALA 40 HA ALA 40 -8.304 -2.644 -3.580 283 HB1 ALA 40 1HB ALA 40 -6.829 -0.864 -3.935 284 HB2 ALA 40 2HB ALA 40 -8.253 -0.115 -3.210 285 HB3 ALA 40 3HB ALA 40 -6.818 -0.414 -2.229 286 H VAL 41 HN VAL 41 -6.238 -3.591 -3.858 287 HA VAL 41 HA VAL 41 -4.740 -4.221 -1.418 288 HB VAL 41 HB VAL 41 -4.920 -6.513 -3.215 289 HG11 VAL 41 1HG1 VAL 41 -5.820 -6.915 -0.503 290 HG12 VAL 41 2HG1 VAL 41 -4.394 -7.557 -1.321 291 HG13 VAL 41 3HG1 VAL 41 -4.331 -5.973 -0.545 292 HG21 VAL 41 1HG2 VAL 41 -7.244 -7.064 -2.125 293 HG22 VAL 41 2HG2 VAL 41 -7.407 -5.309 -2.096 294 HG23 VAL 41 3HG2 VAL 41 -7.148 -6.146 -3.627 295 H GLY 42 HN GLY 42 -2.576 -4.258 -1.693 296 HA2 GLY 42 1HA GLY 42 -1.446 -4.624 -4.355 297 HA3 GLY 42 2HA GLY 42 -1.196 -3.049 -3.617 298 H HIS 43 HN HIS 43 0.277 -5.876 -4.172 299 HA HIS 43 HA HIS 43 1.522 -6.294 -1.604 300 HB2 HIS 43 2HB HIS 43 2.246 -7.445 -4.306 301 HB3 HIS 43 3HB HIS 43 2.832 -8.013 -2.746 302 HD1 HIS 43 1HD HIS 43 1.810 -10.360 -3.265 303 HD2 HIS 43 2HD HIS 43 -0.965 -7.279 -3.002 304 HE1 HIS 43 1HE HIS 43 -0.431 -11.486 -3.079 305 H LEU 44 HN LEU 44 2.743 -4.594 -0.966 306 HA LEU 44 HA LEU 44 4.109 -2.710 -2.259 307 HB2 LEU 44 2HB LEU 44 4.158 -3.666 0.290 308 HB3 LEU 44 3HB LEU 44 5.808 -3.988 -0.236 309 HG LEU 44 HG LEU 44 5.918 -1.535 -0.895 310 HD11 LEU 44 1HD1 LEU 44 4.293 -0.193 0.640 311 HD12 LEU 44 2HD1 LEU 44 3.281 -1.629 0.497 312 HD13 LEU 44 3HD1 LEU 44 3.760 -0.741 -0.949 313 HD21 LEU 44 1HD2 LEU 44 7.178 -1.674 0.940 314 HD22 LEU 44 2HD2 LEU 44 6.061 -2.791 1.724 315 HD23 LEU 44 3HD2 LEU 44 5.776 -1.052 1.813 316 H THR 45 HN THR 45 5.450 -2.677 -3.924 317 HA THR 45 HA THR 45 6.680 -4.922 -5.041 318 HB THR 45 HB THR 45 7.888 -3.413 -6.486 319 HG1 THR 45 1HG THR 45 6.992 -1.148 -5.088 320 HG21 THR 45 1HG2 THR 45 5.625 -1.671 -6.447 321 HG22 THR 45 2HG2 THR 45 5.089 -3.310 -6.074 322 HG23 THR 45 3HG2 THR 45 5.984 -2.990 -7.560 323 H LYS 46 HN LYS 46 7.722 -2.788 -2.516 324 HA LYS 46 HA LYS 46 10.479 -3.135 -2.583 325 HB2 LYS 46 2HB LYS 46 8.503 -2.548 -0.422 326 HB3 LYS 46 3HB LYS 46 10.157 -2.933 0.034 327 HG2 LYS 46 2HG LYS 46 10.328 -1.047 -2.041 328 HG3 LYS 46 3HG LYS 46 9.074 -0.474 -0.939 329 HD2 LYS 46 2HD LYS 46 11.531 -1.500 0.330 330 HD3 LYS 46 3HD LYS 46 11.708 -0.005 -0.593 331 HE2 LYS 46 2HE LYS 46 9.522 0.651 0.743 332 HE3 LYS 46 3HE LYS 46 10.140 -0.550 1.877 333 HZ1 LYS 46 1HZ LYS 46 10.925 1.660 2.431 334 HZ2 LYS 46 2HZ LYS 46 11.618 1.834 0.899 335 HZ3 LYS 46 3HZ LYS 46 12.225 0.677 1.974 336 H CYS 47 HN CYS 47 8.244 -4.897 -0.428 337 HA CYS 47 HA CYS 47 10.190 -7.088 -0.313 338 HB2 CYS 47 2HB CYS 47 8.989 -7.838 1.669 339 HB3 CYS 47 3HB CYS 47 9.413 -6.137 1.831 340 H SER 48 HN SER 48 6.847 -6.366 -1.133 341 HA SER 48 HA SER 48 5.466 -7.447 -2.622 342 HB2 SER 48 2HB SER 48 7.755 -8.401 -3.508 343 HB3 SER 48 3HB SER 48 7.219 -9.875 -2.701 344 HG SER 48 HG SER 48 6.601 -9.448 -5.026 345 H HIS 49 HN HIS 49 4.413 -7.440 -0.400 346 HA HIS 49 HA HIS 49 3.959 -10.210 0.499 347 HB2 HIS 49 2HB HIS 49 3.798 -7.617 2.042 348 HB3 HIS 49 3HB HIS 49 3.216 -9.158 2.665 349 HD2 HIS 49 2HD HIS 49 6.512 -9.565 0.788 350 HE1 HIS 49 1HE HIS 49 7.469 -9.282 4.912 351 HE2 HIS 49 2HE HIS 49 8.352 -9.743 2.598 352 H ALA 50 HN ALA 50 1.937 -7.739 1.728 353 HA ALA 50 HA ALA 50 -0.042 -7.274 -0.020 354 HB1 ALA 50 1HB ALA 50 -1.630 -9.295 0.657 355 HB2 ALA 50 2HB ALA 50 -0.567 -9.361 -0.748 356 HB3 ALA 50 3HB ALA 50 -0.081 -10.131 0.762 357 H PHE 51 HN PHE 51 -1.590 -6.089 0.949 358 HA PHE 51 HA PHE 51 -2.700 -6.608 3.482 359 HB2 PHE 51 2HB PHE 51 -1.390 -4.144 4.049 360 HB3 PHE 51 3HB PHE 51 -1.258 -5.673 4.910 361 HD1 PHE 51 1HD PHE 51 0.081 -3.889 1.932 362 HD2 PHE 51 2HD PHE 51 0.773 -6.769 4.988 363 HE1 PHE 51 1HE PHE 51 2.425 -4.085 1.211 364 HE2 PHE 51 2HE PHE 51 3.118 -6.969 4.272 365 HZ PHE 51 HZ PHE 51 3.948 -5.626 2.382 366 H HIS 52 HN HIS 52 -3.987 -4.680 4.292 367 HA HIS 52 HA HIS 52 -5.429 -3.577 2.073 368 HB2 HIS 52 2HB HIS 52 -5.711 -3.355 5.063 369 HB3 HIS 52 3HB HIS 52 -6.715 -2.407 3.970 370 HD2 HIS 52 2HD HIS 52 -7.144 -5.019 1.832 371 HE1 HIS 52 1HE HIS 52 -9.141 -6.646 5.203 372 HE2 HIS 52 2HE HIS 52 -8.734 -6.852 2.726 373 H LEU 53 HN LEU 53 -4.332 -2.052 0.955 374 HA LEU 53 HA LEU 53 -2.445 -0.284 1.633 375 HB2 LEU 53 2HB LEU 53 -4.869 0.434 -0.009 376 HB3 LEU 53 3HB LEU 53 -3.312 1.258 -0.045 377 HG LEU 53 HG LEU 53 -3.619 -1.636 -0.806 378 HD11 LEU 53 1HD1 LEU 53 -4.286 -1.139 -2.892 379 HD12 LEU 53 2HD1 LEU 53 -3.350 0.355 -2.950 380 HD13 LEU 53 3HD1 LEU 53 -4.916 0.327 -2.141 381 HD21 LEU 53 1HD2 LEU 53 -1.367 -0.661 -0.223 382 HD22 LEU 53 2HD2 LEU 53 -1.544 0.382 -1.634 383 HD23 LEU 53 3HD2 LEU 53 -1.501 -1.370 -1.833 384 H LEU 54 HN LEU 54 -5.784 -0.117 2.626 385 HA LEU 54 HA LEU 54 -5.680 2.559 3.617 386 HB2 LEU 54 2HB LEU 54 -7.782 1.507 2.978 387 HB3 LEU 54 3HB LEU 54 -7.576 0.299 4.245 388 HG LEU 54 HG LEU 54 -8.246 1.717 5.898 389 HD11 LEU 54 1HD1 LEU 54 -8.069 4.193 5.752 390 HD12 LEU 54 2HD1 LEU 54 -7.257 4.000 4.199 391 HD13 LEU 54 3HD1 LEU 54 -6.518 3.357 5.666 392 HD21 LEU 54 1HD2 LEU 54 -9.754 3.518 4.313 393 HD22 LEU 54 2HD2 LEU 54 -10.300 2.057 5.135 394 HD23 LEU 54 3HD2 LEU 54 -9.712 1.967 3.474 395 H CYS 55 HN CYS 55 -6.195 -0.444 5.466 396 HA CYS 55 HA CYS 55 -5.674 0.439 7.972 397 HB2 CYS 55 2HB CYS 55 -4.817 -2.195 6.761 398 HB3 CYS 55 3HB CYS 55 -4.835 -1.860 8.489 399 H LEU 56 HN LEU 56 -3.351 -0.059 5.430 400 HA LEU 56 HA LEU 56 -1.041 0.072 7.121 401 HB2 LEU 56 2HB LEU 56 -1.221 0.531 4.149 402 HB3 LEU 56 3HB LEU 56 0.230 0.157 5.075 403 HG LEU 56 HG LEU 56 -1.990 -1.645 4.215 404 HD11 LEU 56 1HD1 LEU 56 0.890 -1.361 3.815 405 HD12 LEU 56 2HD1 LEU 56 -0.328 -2.139 2.805 406 HD13 LEU 56 3HD1 LEU 56 0.375 -3.011 4.167 407 HD21 LEU 56 1HD2 LEU 56 -0.307 -1.933 6.682 408 HD22 LEU 56 2HD2 LEU 56 -0.932 -3.339 5.820 409 HD23 LEU 56 3HD2 LEU 56 -2.047 -2.150 6.495 410 H LEU 57 HN LEU 57 -2.609 2.331 4.864 411 HA LEU 57 HA LEU 57 -0.961 4.489 4.991 412 HB2 LEU 57 2HB LEU 57 -3.373 4.087 3.943 413 HB3 LEU 57 3HB LEU 57 -3.854 5.049 5.338 414 HG LEU 57 HG LEU 57 -3.646 6.651 3.697 415 HD11 LEU 57 1HD1 LEU 57 -0.891 6.482 4.911 416 HD12 LEU 57 2HD1 LEU 57 -2.296 7.283 5.615 417 HD13 LEU 57 3HD1 LEU 57 -1.584 7.901 4.125 418 HD21 LEU 57 1HD2 LEU 57 -2.800 6.006 1.745 419 HD22 LEU 57 2HD2 LEU 57 -1.853 4.725 2.503 420 HD23 LEU 57 3HD2 LEU 57 -1.202 6.362 2.401 421 H ALA 58 HN ALA 58 -2.785 3.145 7.574 422 HA ALA 58 HA ALA 58 -2.784 5.493 9.231 423 HB1 ALA 58 1HB ALA 58 -4.021 2.951 9.284 424 HB2 ALA 58 2HB ALA 58 -3.102 3.124 10.779 425 HB3 ALA 58 3HB ALA 58 -4.311 4.332 10.343 426 H MET 59 HN MET 59 -1.254 2.308 9.746 427 HA MET 59 HA MET 59 0.550 3.203 11.692 428 HB2 MET 59 2HB MET 59 1.853 1.064 10.785 429 HB3 MET 59 3HB MET 59 0.398 0.928 11.762 430 HG2 MET 59 2HG MET 59 -0.815 0.087 10.075 431 HG3 MET 59 3HG MET 59 -0.060 1.128 8.872 432 HE1 MET 59 1HE MET 59 3.080 -0.426 7.868 433 HE2 MET 59 2HE MET 59 2.530 0.976 8.786 434 HE3 MET 59 3HE MET 59 3.392 -0.330 9.601 435 H TYR 60 HN TYR 60 0.831 2.965 8.189 436 HA TYR 60 HA TYR 60 3.489 3.271 7.732 437 HB2 TYR 60 2HB TYR 60 2.779 3.573 5.634 438 HB3 TYR 60 3HB TYR 60 1.133 3.677 6.250 439 HD1 TYR 60 1HD TYR 60 0.752 6.160 7.428 440 HD2 TYR 60 2HD TYR 60 3.311 5.248 4.154 441 HE1 TYR 60 1HE TYR 60 0.614 8.498 6.677 442 HE2 TYR 60 2HE TYR 60 3.182 7.584 3.394 443 HH TYR 60 HH TYR 60 2.310 10.050 5.168 444 H CYS 61 HN CYS 61 1.404 5.529 9.275 445 HA CYS 61 HA CYS 61 2.572 7.970 8.842 446 HB2 CYS 61 2HB CYS 61 1.838 8.571 11.141 447 HB3 CYS 61 3HB CYS 61 0.591 7.749 10.213 448 HG CYS 61 HG CYS 61 0.072 6.145 12.142 449 H ASN 62 HN ASN 62 3.815 5.284 10.679 450 HA ASN 62 HA ASN 62 6.037 6.902 11.686 451 HB2 ASN 62 2HB ASN 62 4.674 4.488 12.572 452 HB3 ASN 62 3HB ASN 62 6.423 4.281 12.545 453 HD21 ASN 62 1HD2 ASN 62 3.868 5.266 14.369 454 HD22 ASN 62 2HD2 ASN 62 4.702 6.242 15.524 455 H GLY 63 HN GLY 63 5.831 3.579 10.402 456 HA2 GLY 63 1HA GLY 63 8.494 3.614 9.424 457 HA3 GLY 63 2HA GLY 63 7.272 2.409 9.047 458 H ASN 64 HN ASN 64 8.894 2.929 7.050 459 HA ASN 64 HA ASN 64 9.202 3.963 5.002 460 HB2 ASN 64 2HB ASN 64 6.442 2.859 5.189 461 HB3 ASN 64 3HB ASN 64 6.844 3.810 3.763 462 HD21 ASN 64 1HD2 ASN 64 6.215 1.388 3.166 463 HD22 ASN 64 2HD2 ASN 64 7.587 0.386 2.846 464 H LYS 65 HN LYS 65 5.875 5.001 5.079 465 HA LYS 65 HA LYS 65 4.924 7.050 4.781 466 HB2 LYS 65 2HB LYS 65 5.805 7.085 7.207 467 HB3 LYS 65 3HB LYS 65 7.063 8.146 6.590 468 HG2 LYS 65 2HG LYS 65 5.474 9.796 5.953 469 HG3 LYS 65 3HG LYS 65 4.126 8.702 6.270 470 HD2 LYS 65 2HD LYS 65 4.091 9.250 8.432 471 HD3 LYS 65 3HD LYS 65 5.829 8.987 8.592 472 HE2 LYS 65 2HE LYS 65 5.612 11.236 9.098 473 HE3 LYS 65 3HE LYS 65 6.037 11.270 7.388 474 HZ1 LYS 65 1HZ LYS 65 4.048 12.666 8.293 475 HZ2 LYS 65 2HZ LYS 65 3.200 11.212 8.134 476 HZ3 LYS 65 3HZ LYS 65 3.944 11.909 6.784 477 H ASP 66 HN ASP 66 5.860 6.895 2.553 478 HA ASP 66 HA ASP 66 7.500 9.272 2.051 479 HB2 ASP 66 2HB ASP 66 8.465 6.645 1.773 480 HB3 ASP 66 3HB ASP 66 8.136 7.206 0.136 481 H GLY 67 HN GLY 67 4.658 7.823 1.597 482 HA2 GLY 67 1HA GLY 67 3.154 9.141 0.104 483 HA3 GLY 67 2HA GLY 67 4.356 8.875 -1.150 484 H SER 68 HN SER 68 2.449 6.952 1.172 485 HA SER 68 HA SER 68 0.890 5.543 -0.552 486 HB2 SER 68 2HB SER 68 3.643 4.769 -0.885 487 HB3 SER 68 3HB SER 68 2.710 3.400 -0.280 488 HG SER 68 HG SER 68 1.772 3.250 -2.150 489 H LEU 69 HN LEU 69 3.157 3.803 1.517 490 HA LEU 69 HA LEU 69 1.803 3.955 3.937 491 HB2 LEU 69 2HB LEU 69 0.665 1.738 3.946 492 HB3 LEU 69 3HB LEU 69 -0.096 2.956 2.926 493 HG LEU 69 HG LEU 69 0.223 0.448 2.136 494 HD11 LEU 69 1HD1 LEU 69 0.803 2.616 0.153 495 HD12 LEU 69 2HD1 LEU 69 -0.761 2.511 0.960 496 HD13 LEU 69 3HD1 LEU 69 -0.191 1.171 -0.035 497 HD21 LEU 69 1HD2 LEU 69 2.810 1.796 1.376 498 HD22 LEU 69 2HD2 LEU 69 2.205 0.312 0.640 499 HD23 LEU 69 3HD2 LEU 69 2.610 0.343 2.357 500 H GLN 70 HN GLN 70 2.132 1.560 5.105 501 HA GLN 70 HA GLN 70 4.902 0.775 4.492 502 HB2 GLN 70 2HB GLN 70 5.034 2.175 6.425 503 HB3 GLN 70 3HB GLN 70 3.673 1.358 7.184 504 HG2 GLN 70 2HG GLN 70 5.714 0.665 8.237 505 HG3 GLN 70 3HG GLN 70 5.024 -0.691 7.344 506 HE21 GLN 70 1HE2 GLN 70 7.833 0.416 8.176 507 HE22 GLN 70 2HE2 GLN 70 8.776 0.124 6.757 508 H CYS 71 HN CYS 71 5.506 -1.366 5.231 509 HA CYS 71 HA CYS 71 3.275 -3.224 4.972 510 HB2 CYS 71 2HB CYS 71 5.063 -3.773 3.531 511 HB3 CYS 71 3HB CYS 71 6.266 -3.517 4.791 512 HA PRO 72 HA PRO 72 3.312 -3.651 9.435 513 HB2 PRO 72 2HB PRO 72 1.121 -5.250 9.538 514 HB3 PRO 72 3HB PRO 72 1.022 -3.497 9.333 515 HG2 PRO 72 2HG PRO 72 0.838 -5.658 7.271 516 HG3 PRO 72 3HG PRO 72 -0.144 -4.193 7.445 517 HD2 PRO 72 2HD PRO 72 1.886 -4.383 5.663 518 HD3 PRO 72 3HD PRO 72 1.451 -2.855 6.456 519 H SER 73 HN SER 73 3.858 -5.933 6.995 520 HA SER 73 HA SER 73 4.035 -8.248 8.708 521 HB2 SER 73 2HB SER 73 3.995 -7.748 5.887 522 HB3 SER 73 3HB SER 73 5.424 -8.706 6.275 523 HG SER 73 HG SER 73 4.046 -10.298 6.266 524 H CYS 74 HN CYS 74 6.549 -7.177 6.468 525 HA CYS 74 HA CYS 74 8.536 -7.656 8.571 526 HB2 CYS 74 2HB CYS 74 10.155 -7.909 6.808 527 HB3 CYS 74 3HB CYS 74 8.741 -8.873 6.396 528 H LYS 75 HN LYS 75 6.971 -5.242 8.557 529 HA LYS 75 HA LYS 75 7.148 -2.945 8.445 530 HB2 LYS 75 2HB LYS 75 9.634 -3.942 9.809 531 HB3 LYS 75 3HB LYS 75 9.331 -2.219 9.637 532 HG2 LYS 75 2HG LYS 75 8.379 -2.517 11.662 533 HG3 LYS 75 3HG LYS 75 6.983 -2.940 10.667 534 HD2 LYS 75 2HD LYS 75 7.283 -5.230 11.013 535 HD3 LYS 75 3HD LYS 75 8.956 -5.026 11.536 536 HE2 LYS 75 2HE LYS 75 7.720 -5.492 13.492 537 HE3 LYS 75 3HE LYS 75 8.036 -3.758 13.524 538 HZ1 LYS 75 1HZ LYS 75 5.830 -3.304 12.841 539 HZ2 LYS 75 2HZ LYS 75 5.718 -4.422 14.104 540 HZ3 LYS 75 3HZ LYS 75 5.512 -4.931 12.504 541 H THR 76 HN THR 76 8.008 -4.243 5.997 542 HA THR 76 HA THR 76 10.410 -3.063 5.045 543 HB THR 76 HB THR 76 8.290 -4.736 3.941 544 HG1 THR 76 1HG THR 76 10.729 -5.035 4.345 545 HG21 THR 76 1HG2 THR 76 9.626 -2.738 2.110 546 HG22 THR 76 2HG2 THR 76 7.912 -2.768 2.526 547 HG23 THR 76 3HG2 THR 76 8.620 -4.095 1.605 Start of MODEL 18 1 H1 ASN 1 HN ASN 1 4.332 5.988 -5.519 2 HA ASN 1 HA ASN 1 3.753 4.691 -3.596 3 HB2 ASN 1 2HB ASN 1 2.064 2.914 -5.328 4 HB3 ASN 1 3HB ASN 1 1.989 3.161 -3.586 5 HD21 ASN 1 1HD2 ASN 1 0.781 4.077 -6.611 6 HD22 ASN 1 2HD2 ASN 1 -0.245 5.363 -6.083 7 H TYR 2 HN TYR 2 4.379 2.420 -3.062 8 HA TYR 2 HA TYR 2 6.384 1.484 -4.998 9 HB2 TYR 2 2HB TYR 2 6.562 0.373 -2.302 10 HB3 TYR 2 3HB TYR 2 7.800 1.148 -3.282 11 HD1 TYR 2 1HD TYR 2 8.255 3.512 -3.072 12 HD2 TYR 2 2HD TYR 2 5.164 1.687 -0.786 13 HE1 TYR 2 1HE TYR 2 8.142 5.509 -1.642 14 HE2 TYR 2 2HE TYR 2 5.042 3.681 0.650 15 HH TYR 2 HH TYR 2 7.094 5.713 1.153 16 H THR 3 HN THR 3 3.361 0.750 -3.844 17 HA THR 3 HA THR 3 3.721 -2.148 -4.147 18 HB THR 3 HB THR 3 1.649 -2.465 -3.023 19 HG1 THR 3 1HG THR 3 0.455 -0.466 -2.380 20 HG21 THR 3 1HG2 THR 3 3.560 -0.538 -1.837 21 HG22 THR 3 2HG2 THR 3 3.051 -2.127 -1.266 22 HG23 THR 3 3HG2 THR 3 2.011 -0.725 -1.014 23 H GLU 4 HN GLU 4 2.022 -3.332 -5.331 24 HA GLU 4 HA GLU 4 1.043 -1.765 -7.628 25 HB2 GLU 4 2HB GLU 4 2.742 -3.245 -8.408 26 HB3 GLU 4 3HB GLU 4 2.082 -4.593 -7.492 27 HG2 GLU 4 2HG GLU 4 0.172 -4.715 -8.930 28 HG3 GLU 4 3HG GLU 4 0.658 -3.245 -9.773 29 H GLU 5 HN GLU 5 -1.075 -1.461 -7.416 30 HA GLU 5 HA GLU 5 -2.853 -2.767 -5.801 31 HB2 GLU 5 2HB GLU 5 -3.072 -0.703 -7.498 32 HB3 GLU 5 3HB GLU 5 -3.895 -1.928 -8.452 33 HG2 GLU 5 2HG GLU 5 -5.723 -1.786 -7.209 34 HG3 GLU 5 3HG GLU 5 -4.801 -1.965 -5.716 35 H LEU 6 HN LEU 6 -4.578 -4.287 -6.258 36 HA LEU 6 HA LEU 6 -3.944 -6.200 -8.400 37 HB2 LEU 6 2HB LEU 6 -5.015 -7.234 -5.834 38 HB3 LEU 6 3HB LEU 6 -3.964 -8.013 -7.015 39 HG LEU 6 HG LEU 6 -3.032 -5.839 -5.147 40 HD11 LEU 6 1HD1 LEU 6 -3.741 -7.646 -3.758 41 HD12 LEU 6 2HD1 LEU 6 -1.982 -7.709 -3.873 42 HD13 LEU 6 3HD1 LEU 6 -2.967 -8.831 -4.810 43 HD21 LEU 6 1HD2 LEU 6 -1.412 -7.924 -6.584 44 HD22 LEU 6 2HD2 LEU 6 -0.855 -6.442 -5.807 45 HD23 LEU 6 3HD2 LEU 6 -1.786 -6.356 -7.303 46 H LYS 7 HN LYS 7 -5.609 -5.986 -9.757 47 HA LYS 7 HA LYS 7 -8.086 -5.009 -9.446 48 HB2 LYS 7 2HB LYS 7 -7.568 -7.557 -10.985 49 HB3 LYS 7 3HB LYS 7 -8.837 -6.378 -11.288 50 HG2 LYS 7 2HG LYS 7 -7.054 -4.706 -11.793 51 HG3 LYS 7 3HG LYS 7 -5.876 -6.015 -11.678 52 HD2 LYS 7 2HD LYS 7 -7.800 -7.034 -13.372 53 HD3 LYS 7 3HD LYS 7 -7.710 -5.333 -13.836 54 HE2 LYS 7 2HE LYS 7 -5.499 -5.491 -14.479 55 HE3 LYS 7 3HE LYS 7 -5.190 -6.888 -13.449 56 HZ1 LYS 7 1HZ LYS 7 -6.569 -6.805 -16.062 57 HZ2 LYS 7 2HZ LYS 7 -6.761 -8.111 -15.005 58 HZ3 LYS 7 3HZ LYS 7 -5.227 -7.729 -15.609 59 H VAL 8 HN VAL 8 -6.957 -8.049 -8.187 60 HA VAL 8 HA VAL 8 -9.522 -8.377 -6.798 61 HB VAL 8 HB VAL 8 -9.207 -10.897 -7.080 62 HG11 VAL 8 1HG1 VAL 8 -11.056 -10.035 -8.164 63 HG12 VAL 8 2HG1 VAL 8 -10.088 -9.010 -9.225 64 HG13 VAL 8 3HG1 VAL 8 -10.151 -10.752 -9.496 65 HG21 VAL 8 1HG2 VAL 8 -7.107 -11.245 -7.948 66 HG22 VAL 8 2HG2 VAL 8 -8.087 -11.318 -9.412 67 HG23 VAL 8 3HG2 VAL 8 -7.198 -9.846 -9.018 68 HA PRO 9 HA PRO 9 -6.968 -8.897 -3.251 69 HB2 PRO 9 2HB PRO 9 -8.719 -10.207 -1.644 70 HB3 PRO 9 3HB PRO 9 -8.859 -8.484 -2.014 71 HG2 PRO 9 2HG PRO 9 -10.314 -10.805 -3.222 72 HG3 PRO 9 3HG PRO 9 -10.945 -9.223 -2.730 73 HD2 PRO 9 2HD PRO 9 -10.386 -9.830 -5.309 74 HD3 PRO 9 3HD PRO 9 -10.208 -8.190 -4.654 75 HA PRO 10 HA PRO 10 -5.277 -12.968 -3.973 76 HB2 PRO 10 2HB PRO 10 -3.178 -12.699 -2.272 77 HB3 PRO 10 3HB PRO 10 -3.213 -11.961 -3.877 78 HG2 PRO 10 2HG PRO 10 -3.793 -10.729 -1.212 79 HG3 PRO 10 3HG PRO 10 -2.860 -10.072 -2.569 80 HD2 PRO 10 2HD PRO 10 -5.420 -9.341 -2.071 81 HD3 PRO 10 3HD PRO 10 -4.751 -9.415 -3.713 82 H ASP 11 HN ASP 11 -3.983 -14.407 -2.056 83 HA ASP 11 HA ASP 11 -6.065 -14.830 -0.013 84 HB2 ASP 11 2HB ASP 11 -5.724 -16.603 -1.856 85 HB3 ASP 11 3HB ASP 11 -4.228 -16.994 -1.012 86 H GLU 12 HN GLU 12 -4.450 -13.078 0.902 87 HA GLU 12 HA GLU 12 -2.436 -14.527 2.495 88 HB2 GLU 12 2HB GLU 12 -2.336 -11.677 1.491 89 HB3 GLU 12 3HB GLU 12 -1.175 -12.386 2.604 90 HG2 GLU 12 2HG GLU 12 -1.459 -14.030 0.265 91 HG3 GLU 12 3HG GLU 12 -1.072 -12.369 -0.182 92 H ASP 13 HN ASP 13 -5.160 -12.436 2.465 93 HA ASP 13 HA ASP 13 -6.480 -11.605 4.121 94 HB2 ASP 13 2HB ASP 13 -4.794 -13.341 5.938 95 HB3 ASP 13 3HB ASP 13 -6.338 -12.603 6.356 96 H CYS 14 HN CYS 14 -6.472 -9.669 5.087 97 HA CYS 14 HA CYS 14 -4.257 -8.036 5.180 98 HB2 CYS 14 2HB CYS 14 -6.659 -7.315 5.330 99 HB3 CYS 14 3HB CYS 14 -6.640 -7.795 7.024 100 H ILE 15 HN ILE 15 -2.968 -7.211 6.890 101 HA ILE 15 HA ILE 15 -2.621 -9.122 9.103 102 HB ILE 15 HB ILE 15 -0.383 -7.332 8.771 103 HG12 ILE 15 2HG1 ILE 15 -1.109 -9.030 6.372 104 HG13 ILE 15 3HG1 ILE 15 -1.120 -7.270 6.419 105 HG21 ILE 15 1HG2 ILE 15 -0.186 -9.361 9.999 106 HG22 ILE 15 2HG2 ILE 15 -0.757 -10.315 8.631 107 HG23 ILE 15 3HG2 ILE 15 0.817 -9.523 8.558 108 HD11 ILE 15 1HD1 ILE 15 0.872 -7.998 5.327 109 HD12 ILE 15 2HD1 ILE 15 1.313 -7.333 6.900 110 HD13 ILE 15 3HD1 ILE 15 1.268 -9.080 6.662 111 H ILE 16 HN ILE 16 -3.569 -5.975 8.341 112 HA ILE 16 HA ILE 16 -2.717 -4.712 10.781 113 HB ILE 16 HB ILE 16 -4.897 -3.675 8.992 114 HG12 ILE 16 2HG1 ILE 16 -3.029 -4.340 7.543 115 HG13 ILE 16 3HG1 ILE 16 -3.175 -2.588 7.622 116 HG21 ILE 16 1HG2 ILE 16 -2.853 -1.887 10.098 117 HG22 ILE 16 2HG2 ILE 16 -4.608 -1.717 10.051 118 HG23 ILE 16 3HG2 ILE 16 -3.851 -2.704 11.302 119 HD11 ILE 16 1HD1 ILE 16 -1.410 -3.196 9.656 120 HD12 ILE 16 2HD1 ILE 16 -0.964 -4.298 8.353 121 HD13 ILE 16 3HD1 ILE 16 -1.004 -2.559 8.062 122 H CYS 17 HN CYS 17 -6.014 -5.129 9.491 123 HA CYS 17 HA CYS 17 -7.066 -5.183 12.195 124 HB2 CYS 17 2HB CYS 17 -9.269 -5.156 11.102 125 HB3 CYS 17 3HB CYS 17 -8.236 -3.865 10.498 126 H MET 18 HN MET 18 -5.672 -7.435 10.336 127 HA MET 18 HA MET 18 -5.707 -9.707 10.217 128 HB2 MET 18 2HB MET 18 -7.005 -9.190 12.878 129 HB3 MET 18 3HB MET 18 -6.790 -10.831 12.283 130 HG2 MET 18 2HG MET 18 -4.335 -9.396 12.013 131 HG3 MET 18 3HG MET 18 -4.943 -9.225 13.658 132 HE1 MET 18 1HE MET 18 -2.080 -11.986 12.886 133 HE2 MET 18 2HE MET 18 -2.941 -12.036 11.347 134 HE3 MET 18 3HE MET 18 -2.520 -10.484 12.073 135 H GLU 19 HN GLU 19 -7.669 -8.468 8.698 136 HA GLU 19 HA GLU 19 -9.861 -10.428 8.872 137 HB2 GLU 19 2HB GLU 19 -10.074 -7.538 8.011 138 HB3 GLU 19 3HB GLU 19 -11.381 -8.712 7.963 139 HG2 GLU 19 2HG GLU 19 -10.146 -8.519 10.584 140 HG3 GLU 19 3HG GLU 19 -10.814 -6.987 10.026 141 H LYS 20 HN LYS 20 -10.593 -11.309 6.957 142 HA LYS 20 HA LYS 20 -8.966 -11.985 4.961 143 HB2 LYS 20 2HB LYS 20 -11.762 -11.994 5.320 144 HB3 LYS 20 3HB LYS 20 -11.478 -11.332 3.716 145 HG2 LYS 20 2HG LYS 20 -9.811 -13.626 4.125 146 HG3 LYS 20 3HG LYS 20 -11.492 -14.024 4.490 147 HD2 LYS 20 2HD LYS 20 -12.212 -13.344 2.331 148 HD3 LYS 20 3HD LYS 20 -10.653 -12.595 1.974 149 HE2 LYS 20 2HE LYS 20 -11.423 -15.116 1.223 150 HE3 LYS 20 3HE LYS 20 -9.761 -14.531 1.301 151 HZ1 LYS 20 1HZ LYS 20 -11.165 -15.854 3.557 152 HZ2 LYS 20 2HZ LYS 20 -9.529 -15.434 3.484 153 HZ3 LYS 20 3HZ LYS 20 -10.134 -16.656 2.482 154 H LEU 21 HN LEU 21 -8.117 -11.185 3.091 155 HA LEU 21 HA LEU 21 -7.779 -8.394 2.852 156 HB2 LEU 21 2HB LEU 21 -6.951 -10.795 1.381 157 HB3 LEU 21 3HB LEU 21 -7.081 -9.339 0.398 158 HG LEU 21 HG LEU 21 -5.302 -9.776 2.791 159 HD11 LEU 21 1HD1 LEU 21 -4.787 -9.346 -0.143 160 HD12 LEU 21 2HD1 LEU 21 -4.389 -10.763 0.828 161 HD13 LEU 21 3HD1 LEU 21 -3.538 -9.242 1.099 162 HD21 LEU 21 1HD2 LEU 21 -4.576 -7.376 1.706 163 HD22 LEU 21 2HD2 LEU 21 -5.554 -7.582 3.159 164 HD23 LEU 21 3HD2 LEU 21 -6.336 -7.314 1.600 165 H SER 22 HN SER 22 -10.413 -10.257 2.104 166 HA SER 22 HA SER 22 -11.256 -8.518 -0.110 167 HB2 SER 22 2HB SER 22 -12.412 -10.265 -0.973 168 HB3 SER 22 3HB SER 22 -11.377 -11.241 0.068 169 HG SER 22 HG SER 22 -13.476 -11.817 0.495 170 H THR 23 HN THR 23 -11.603 -8.931 3.194 171 HA THR 23 HA THR 23 -14.345 -7.985 3.347 172 HB THR 23 HB THR 23 -12.904 -7.917 5.863 173 HG1 THR 23 1HG THR 23 -11.717 -9.640 5.539 174 HG21 THR 23 1HG2 THR 23 -15.269 -8.044 5.877 175 HG22 THR 23 2HG2 THR 23 -14.703 -9.624 6.418 176 HG23 THR 23 3HG2 THR 23 -15.277 -9.411 4.763 177 H ALA 24 HN ALA 24 -12.129 -6.335 2.184 178 HA ALA 24 HA ALA 24 -11.408 -4.174 2.179 179 HB1 ALA 24 1HB ALA 24 -13.367 -2.958 3.869 180 HB2 ALA 24 2HB ALA 24 -13.203 -2.872 2.114 181 HB3 ALA 24 3HB ALA 24 -14.144 -4.170 2.850 182 H SER 25 HN SER 25 -10.767 -2.278 3.604 183 HA SER 25 HA SER 25 -9.119 -3.218 5.689 184 HB2 SER 25 2HB SER 25 -8.200 -1.294 4.898 185 HB3 SER 25 3HB SER 25 -9.765 -0.597 4.484 186 HG SER 25 HG SER 25 -9.748 0.424 6.312 187 H GLY 26 HN GLY 26 -9.357 -3.281 7.863 188 HA2 GLY 26 1HA GLY 26 -12.048 -2.976 8.902 189 HA3 GLY 26 2HA GLY 26 -10.665 -3.637 9.760 190 H TYR 27 HN TYR 27 -9.176 -1.108 8.811 191 HA TYR 27 HA TYR 27 -9.818 0.432 11.181 192 HB2 TYR 27 2HB TYR 27 -7.633 0.631 9.110 193 HB3 TYR 27 3HB TYR 27 -7.838 1.829 10.384 194 HD1 TYR 27 1HD TYR 27 -8.841 -1.280 11.646 195 HD2 TYR 27 2HD TYR 27 -5.350 0.950 10.674 196 HE1 TYR 27 1HE TYR 27 -7.524 -2.684 13.177 197 HE2 TYR 27 2HE TYR 27 -4.024 -0.449 12.201 198 HH TYR 27 HH TYR 27 -5.211 -3.355 13.530 199 H SER 28 HN SER 28 -10.744 0.418 7.947 200 HA SER 28 HA SER 28 -10.910 3.044 7.167 201 HB2 SER 28 2HB SER 28 -11.689 0.878 5.959 202 HB3 SER 28 3HB SER 28 -13.242 1.197 6.731 203 HG SER 28 HG SER 28 -13.572 2.547 5.168 204 H ASP 29 HN ASP 29 -12.636 1.459 9.700 205 HA ASP 29 HA ASP 29 -14.833 3.233 9.907 206 HB2 ASP 29 2HB ASP 29 -13.733 1.006 11.417 207 HB3 ASP 29 3HB ASP 29 -14.343 2.273 12.479 208 H VAL 30 HN VAL 30 -11.568 3.274 11.194 209 HA VAL 30 HA VAL 30 -12.126 5.916 12.380 210 HB VAL 30 HB VAL 30 -10.010 5.387 13.768 211 HG11 VAL 30 1HG1 VAL 30 -11.355 4.833 15.526 212 HG12 VAL 30 2HG1 VAL 30 -12.590 5.346 14.373 213 HG13 VAL 30 3HG1 VAL 30 -12.253 3.629 14.603 214 HG21 VAL 30 1HG2 VAL 30 -9.454 3.354 12.427 215 HG22 VAL 30 2HG2 VAL 30 -9.523 3.079 14.168 216 HG23 VAL 30 3HG2 VAL 30 -10.860 2.564 13.140 217 H THR 31 HN THR 31 -10.746 4.485 9.798 218 HA THR 31 HA THR 31 -8.724 6.612 9.543 219 HB THR 31 HB THR 31 -8.373 3.923 8.242 220 HG1 THR 31 1HG THR 31 -8.025 4.610 10.901 221 HG21 THR 31 1HG2 THR 31 -7.086 6.120 7.659 222 HG22 THR 31 2HG2 THR 31 -6.201 4.603 7.822 223 HG23 THR 31 3HG2 THR 31 -6.201 5.771 9.143 224 H ASP 32 HN ASP 32 -9.264 7.960 7.969 225 HA ASP 32 HA ASP 32 -10.881 6.954 5.729 226 HB2 ASP 32 2HB ASP 32 -11.872 8.798 7.044 227 HB3 ASP 32 3HB ASP 32 -10.478 9.805 6.660 228 H SER 33 HN SER 33 -9.103 6.097 4.572 229 HA SER 33 HA SER 33 -6.699 7.106 3.944 230 HB2 SER 33 2HB SER 33 -6.864 5.254 2.676 231 HB3 SER 33 3HB SER 33 -8.617 5.407 2.550 232 HG SER 33 HG SER 33 -8.318 6.872 0.856 233 H LYS 34 HN LYS 34 -5.831 8.374 2.187 234 HA LYS 34 HA LYS 34 -7.652 10.532 1.341 235 HB2 LYS 34 2HB LYS 34 -4.692 10.718 1.936 236 HB3 LYS 34 3HB LYS 34 -5.709 12.042 1.381 237 HG2 LYS 34 2HG LYS 34 -6.920 12.086 3.413 238 HG3 LYS 34 3HG LYS 34 -6.219 10.555 3.943 239 HD2 LYS 34 2HD LYS 34 -4.260 11.517 4.581 240 HD3 LYS 34 3HD LYS 34 -4.333 12.756 3.326 241 HE2 LYS 34 2HE LYS 34 -5.775 14.101 4.575 242 HE3 LYS 34 3HE LYS 34 -6.252 12.772 5.629 243 HZ1 LYS 34 1HZ LYS 34 -3.457 13.236 5.788 244 HZ2 LYS 34 2HZ LYS 34 -4.615 13.260 7.020 245 HZ3 LYS 34 3HZ LYS 34 -4.309 14.659 6.120 246 H ALA 35 HN ALA 35 -6.335 7.891 0.169 247 HA ALA 35 HA ALA 35 -6.166 8.966 -2.522 248 HB1 ALA 35 1HB ALA 35 -3.947 9.004 -2.615 249 HB2 ALA 35 2HB ALA 35 -3.811 8.270 -1.016 250 HB3 ALA 35 3HB ALA 35 -3.967 7.249 -2.445 251 H LEU 36 HN LEU 36 -5.579 6.020 -0.596 252 HA LEU 36 HA LEU 36 -6.360 4.231 -2.644 253 HB2 LEU 36 2HB LEU 36 -6.661 3.463 0.208 254 HB3 LEU 36 3HB LEU 36 -5.976 2.556 -1.139 255 HG LEU 36 HG LEU 36 -4.087 2.939 0.074 256 HD11 LEU 36 1HD1 LEU 36 -3.772 5.629 -1.020 257 HD12 LEU 36 2HD1 LEU 36 -4.307 4.434 -2.200 258 HD13 LEU 36 3HD1 LEU 36 -2.818 4.170 -1.294 259 HD21 LEU 36 1HD2 LEU 36 -3.853 5.409 1.103 260 HD22 LEU 36 2HD2 LEU 36 -4.595 4.062 1.967 261 HD23 LEU 36 3HD2 LEU 36 -5.608 5.238 1.129 262 H GLY 37 HN GLY 37 -8.040 4.740 0.461 263 HA2 GLY 37 1HA GLY 37 -10.408 5.606 0.198 264 HA3 GLY 37 2HA GLY 37 -10.580 4.316 -0.983 265 H SER 38 HN SER 38 -10.120 2.081 -0.144 266 HA SER 38 HA SER 38 -9.954 1.208 2.397 267 HB2 SER 38 2HB SER 38 -11.698 2.432 3.326 268 HB3 SER 38 3HB SER 38 -12.690 2.317 1.873 269 HG SER 38 HG SER 38 -12.053 0.043 3.422 270 H LEU 39 HN LEU 39 -11.392 0.940 -0.705 271 HA LEU 39 HA LEU 39 -11.657 -1.974 -0.359 272 HB2 LEU 39 2HB LEU 39 -13.278 -1.973 -2.134 273 HB3 LEU 39 3HB LEU 39 -13.761 -0.819 -0.892 274 HG LEU 39 HG LEU 39 -12.278 0.607 -2.838 275 HD11 LEU 39 1HD1 LEU 39 -13.331 0.155 -4.881 276 HD12 LEU 39 2HD1 LEU 39 -14.550 -0.872 -4.127 277 HD13 LEU 39 3HD1 LEU 39 -12.880 -1.429 -4.249 278 HD21 LEU 39 1HD2 LEU 39 -14.716 1.492 -3.242 279 HD22 LEU 39 2HD2 LEU 39 -13.876 1.816 -1.725 280 HD23 LEU 39 3HD2 LEU 39 -15.073 0.523 -1.812 281 H ALA 40 HN ALA 40 -9.152 -0.887 -0.824 282 HA ALA 40 HA ALA 40 -8.623 -1.855 -3.551 283 HB1 ALA 40 1HB ALA 40 -8.416 0.501 -3.740 284 HB2 ALA 40 2HB ALA 40 -7.482 0.605 -2.247 285 HB3 ALA 40 3HB ALA 40 -6.777 -0.149 -3.677 286 H VAL 41 HN VAL 41 -7.085 -3.367 -3.679 287 HA VAL 41 HA VAL 41 -5.542 -3.959 -1.250 288 HB VAL 41 HB VAL 41 -5.447 -5.902 -3.456 289 HG11 VAL 41 1HG1 VAL 41 -6.417 -6.976 -1.020 290 HG12 VAL 41 2HG1 VAL 41 -4.813 -7.151 -1.734 291 HG13 VAL 41 3HG1 VAL 41 -5.147 -5.818 -0.628 292 HG21 VAL 41 1HG2 VAL 41 -8.039 -5.272 -2.053 293 HG22 VAL 41 2HG2 VAL 41 -7.724 -5.252 -3.789 294 HG23 VAL 41 3HG2 VAL 41 -7.725 -6.781 -2.911 295 H GLY 42 HN GLY 42 -3.323 -4.197 -1.290 296 HA2 GLY 42 1HA GLY 42 -1.993 -3.403 -3.806 297 HA3 GLY 42 2HA GLY 42 -1.500 -2.764 -2.245 298 H HIS 43 HN HIS 43 0.465 -3.834 -3.620 299 HA HIS 43 HA HIS 43 1.165 -6.169 -2.065 300 HB2 HIS 43 2HB HIS 43 0.016 -7.131 -4.042 301 HB3 HIS 43 3HB HIS 43 1.178 -6.318 -5.087 302 HD1 HIS 43 1HD HIS 43 0.766 -9.457 -4.866 303 HD2 HIS 43 2HD HIS 43 3.786 -7.243 -3.067 304 HE1 HIS 43 1HE HIS 43 2.642 -11.082 -4.461 305 H LEU 44 HN LEU 44 2.632 -4.533 -1.258 306 HA LEU 44 HA LEU 44 4.415 -2.954 -2.453 307 HB2 LEU 44 2HB LEU 44 4.241 -4.146 0.029 308 HB3 LEU 44 3HB LEU 44 5.819 -4.664 -0.561 309 HG LEU 44 HG LEU 44 6.464 -2.761 0.482 310 HD11 LEU 44 1HD1 LEU 44 5.436 -1.214 -1.841 311 HD12 LEU 44 2HD1 LEU 44 6.573 -2.529 -2.134 312 HD13 LEU 44 3HD1 LEU 44 7.026 -1.190 -1.079 313 HD21 LEU 44 1HD2 LEU 44 3.693 -2.297 0.611 314 HD22 LEU 44 2HD2 LEU 44 4.418 -0.832 -0.051 315 HD23 LEU 44 3HD2 LEU 44 4.973 -1.469 1.497 316 H THR 45 HN THR 45 5.489 -3.250 -4.291 317 HA THR 45 HA THR 45 6.430 -5.821 -5.142 318 HB THR 45 HB THR 45 6.831 -4.875 -7.175 319 HG1 THR 45 1HG THR 45 8.555 -3.567 -6.668 320 HG21 THR 45 1HG2 THR 45 5.321 -2.478 -6.220 321 HG22 THR 45 2HG2 THR 45 4.553 -4.065 -6.177 322 HG23 THR 45 3HG2 THR 45 5.129 -3.404 -7.708 323 H LYS 46 HN LYS 46 7.565 -4.013 -2.771 324 HA LYS 46 HA LYS 46 10.387 -4.044 -3.472 325 HB2 LYS 46 2HB LYS 46 9.749 -2.122 -2.252 326 HB3 LYS 46 3HB LYS 46 8.842 -3.069 -1.079 327 HG2 LYS 46 2HG LYS 46 10.768 -2.430 0.060 328 HG3 LYS 46 3HG LYS 46 11.092 -4.095 -0.434 329 HD2 LYS 46 2HD LYS 46 12.214 -3.059 -2.496 330 HD3 LYS 46 3HD LYS 46 12.180 -1.544 -1.590 331 HE2 LYS 46 2HE LYS 46 13.184 -3.349 0.234 332 HE3 LYS 46 3HE LYS 46 13.907 -3.871 -1.287 333 HZ1 LYS 46 1HZ LYS 46 14.916 -1.944 0.250 334 HZ2 LYS 46 2HZ LYS 46 13.965 -1.015 -0.795 335 HZ3 LYS 46 3HZ LYS 46 15.164 -2.031 -1.421 336 H CYS 47 HN CYS 47 8.154 -5.689 -1.287 337 HA CYS 47 HA CYS 47 10.249 -7.701 -0.791 338 HB2 CYS 47 2HB CYS 47 9.098 -8.076 1.436 339 HB3 CYS 47 3HB CYS 47 9.977 -6.559 1.279 340 H SER 48 HN SER 48 7.117 -7.019 -1.897 341 HA SER 48 HA SER 48 5.670 -8.413 -3.025 342 HB2 SER 48 2HB SER 48 6.986 -10.842 -1.838 343 HB3 SER 48 3HB SER 48 6.132 -10.684 -3.374 344 HG SER 48 HG SER 48 7.971 -9.140 -3.852 345 H HIS 49 HN HIS 49 5.190 -7.277 -0.511 346 HA HIS 49 HA HIS 49 3.599 -9.353 0.841 347 HB2 HIS 49 2HB HIS 49 4.632 -6.734 1.950 348 HB3 HIS 49 3HB HIS 49 3.683 -7.920 2.840 349 HD2 HIS 49 2HD HIS 49 6.717 -9.050 0.638 350 HE1 HIS 49 1HE HIS 49 7.699 -9.622 4.727 351 HE2 HIS 49 2HE HIS 49 8.455 -9.924 2.343 352 H ALA 50 HN ALA 50 1.445 -9.157 0.915 353 HA ALA 50 HA ALA 50 0.266 -6.714 -0.223 354 HB1 ALA 50 1HB ALA 50 -1.467 -7.975 -1.093 355 HB2 ALA 50 2HB ALA 50 -0.090 -9.064 -1.259 356 HB3 ALA 50 3HB ALA 50 -1.233 -9.285 0.065 357 H PHE 51 HN PHE 51 -1.944 -6.172 0.625 358 HA PHE 51 HA PHE 51 -3.072 -6.992 2.966 359 HB2 PHE 51 2HB PHE 51 -2.034 -4.935 4.387 360 HB3 PHE 51 3HB PHE 51 -1.431 -6.588 4.480 361 HD1 PHE 51 1HD PHE 51 0.793 -6.011 5.116 362 HD2 PHE 51 2HD PHE 51 -0.922 -4.413 1.563 363 HE1 PHE 51 1HE PHE 51 3.015 -5.239 4.395 364 HE2 PHE 51 2HE PHE 51 1.298 -3.640 0.836 365 HZ PHE 51 HZ PHE 51 3.270 -4.053 2.251 366 H HIS 52 HN HIS 52 -4.449 -5.287 4.028 367 HA HIS 52 HA HIS 52 -5.860 -3.844 2.078 368 HB2 HIS 52 2HB HIS 52 -5.882 -3.774 5.089 369 HB3 HIS 52 3HB HIS 52 -6.921 -2.720 4.135 370 HD2 HIS 52 2HD HIS 52 -7.423 -5.411 1.954 371 HE1 HIS 52 1HE HIS 52 -9.640 -6.727 5.323 372 HE2 HIS 52 2HE HIS 52 -9.160 -7.090 2.877 373 H LEU 53 HN LEU 53 -4.785 -2.311 0.952 374 HA LEU 53 HA LEU 53 -2.753 -0.677 1.582 375 HB2 LEU 53 2HB LEU 53 -5.237 0.203 0.118 376 HB3 LEU 53 3HB LEU 53 -3.661 0.988 0.037 377 HG LEU 53 HG LEU 53 -3.866 -1.875 -0.759 378 HD11 LEU 53 1HD1 LEU 53 -4.309 0.077 -2.912 379 HD12 LEU 53 2HD1 LEU 53 -5.675 -0.176 -1.826 380 HD13 LEU 53 3HD1 LEU 53 -4.969 -1.542 -2.689 381 HD21 LEU 53 1HD2 LEU 53 -1.684 -1.109 -0.842 382 HD22 LEU 53 2HD2 LEU 53 -2.157 0.497 -1.401 383 HD23 LEU 53 3HD2 LEU 53 -2.229 -0.880 -2.504 384 H LEU 54 HN LEU 54 -6.143 0.335 2.065 385 HA LEU 54 HA LEU 54 -5.761 2.693 3.376 386 HB2 LEU 54 2HB LEU 54 -7.965 2.061 2.866 387 HB3 LEU 54 3HB LEU 54 -7.828 0.553 3.767 388 HG LEU 54 HG LEU 54 -8.168 1.593 5.810 389 HD11 LEU 54 1HD1 LEU 54 -8.126 4.165 5.942 390 HD12 LEU 54 2HD1 LEU 54 -7.211 4.076 4.438 391 HD13 LEU 54 3HD1 LEU 54 -6.593 3.297 5.894 392 HD21 LEU 54 1HD2 LEU 54 -10.048 3.296 5.380 393 HD22 LEU 54 2HD2 LEU 54 -10.261 1.647 4.791 394 HD23 LEU 54 3HD2 LEU 54 -9.793 2.930 3.674 395 H CYS 55 HN CYS 55 -6.396 -0.331 5.159 396 HA CYS 55 HA CYS 55 -5.860 0.401 7.688 397 HB2 CYS 55 2HB CYS 55 -4.892 -2.138 6.356 398 HB3 CYS 55 3HB CYS 55 -4.989 -1.893 8.097 399 H LEU 56 HN LEU 56 -3.388 -0.413 5.277 400 HA LEU 56 HA LEU 56 -1.166 -0.073 6.985 401 HB2 LEU 56 2HB LEU 56 -1.343 0.214 3.989 402 HB3 LEU 56 3HB LEU 56 0.148 0.063 4.917 403 HG LEU 56 HG LEU 56 -1.900 -2.098 5.106 404 HD11 LEU 56 1HD1 LEU 56 -1.178 -1.310 2.636 405 HD12 LEU 56 2HD1 LEU 56 -1.518 -2.984 3.071 406 HD13 LEU 56 3HD1 LEU 56 0.148 -2.410 3.012 407 HD21 LEU 56 1HD2 LEU 56 1.072 -2.388 4.941 408 HD22 LEU 56 2HD2 LEU 56 -0.111 -3.427 5.735 409 HD23 LEU 56 3HD2 LEU 56 0.307 -1.866 6.442 410 H LEU 57 HN LEU 57 -2.431 2.089 4.441 411 HA LEU 57 HA LEU 57 -0.859 4.250 4.640 412 HB2 LEU 57 2HB LEU 57 -2.849 4.103 3.208 413 HB3 LEU 57 3HB LEU 57 -3.873 4.355 4.620 414 HG LEU 57 HG LEU 57 -2.669 6.599 4.870 415 HD11 LEU 57 1HD1 LEU 57 -1.867 7.479 2.643 416 HD12 LEU 57 2HD1 LEU 57 -1.806 5.801 2.103 417 HD13 LEU 57 3HD1 LEU 57 -0.801 6.330 3.451 418 HD21 LEU 57 1HD2 LEU 57 -4.896 5.770 3.323 419 HD22 LEU 57 2HD2 LEU 57 -4.072 7.058 2.442 420 HD23 LEU 57 3HD2 LEU 57 -4.615 7.329 4.099 421 H ALA 58 HN ALA 58 -3.040 3.126 7.102 422 HA ALA 58 HA ALA 58 -2.997 5.514 8.677 423 HB1 ALA 58 1HB ALA 58 -4.268 2.931 8.791 424 HB2 ALA 58 2HB ALA 58 -3.619 3.383 10.368 425 HB3 ALA 58 3HB ALA 58 -4.749 4.455 9.540 426 H MET 59 HN MET 59 -1.284 2.407 8.806 427 HA MET 59 HA MET 59 0.347 3.339 11.027 428 HB2 MET 59 2HB MET 59 1.385 1.037 10.804 429 HB3 MET 59 3HB MET 59 -0.319 1.075 11.237 430 HG2 MET 59 2HG MET 59 0.137 -0.654 9.596 431 HG3 MET 59 3HG MET 59 -0.932 0.583 8.938 432 HE1 MET 59 1HE MET 59 3.016 -0.929 7.803 433 HE2 MET 59 2HE MET 59 3.455 0.550 8.660 434 HE3 MET 59 3HE MET 59 2.456 -0.667 9.455 435 H TYR 60 HN TYR 60 0.405 3.563 7.706 436 HA TYR 60 HA TYR 60 3.167 3.169 7.178 437 HB2 TYR 60 2HB TYR 60 2.311 3.250 5.113 438 HB3 TYR 60 3HB TYR 60 0.817 3.966 5.706 439 HD1 TYR 60 1HD TYR 60 3.622 4.474 3.653 440 HD2 TYR 60 2HD TYR 60 0.973 6.543 6.260 441 HE1 TYR 60 1HE TYR 60 4.214 6.596 2.560 442 HE2 TYR 60 2HE TYR 60 1.555 8.671 5.173 443 HH TYR 60 HH TYR 60 2.516 9.566 3.273 444 H CYS 61 HN CYS 61 1.440 5.647 8.734 445 HA CYS 61 HA CYS 61 2.930 7.921 8.081 446 HB2 CYS 61 2HB CYS 61 1.035 7.137 10.157 447 HB3 CYS 61 3HB CYS 61 2.242 8.276 10.740 448 HG CYS 61 HG CYS 61 -0.377 9.301 9.700 449 H ASN 62 HN ASN 62 3.926 5.123 9.634 450 HA ASN 62 HA ASN 62 6.025 6.464 11.170 451 HB2 ASN 62 2HB ASN 62 4.644 3.891 11.343 452 HB3 ASN 62 3HB ASN 62 6.391 3.748 11.518 453 HD21 ASN 62 1HD2 ASN 62 3.681 5.728 12.656 454 HD22 ASN 62 2HD2 ASN 62 4.254 5.885 14.278 455 H GLY 63 HN GLY 63 5.780 3.729 8.884 456 HA2 GLY 63 1HA GLY 63 8.547 4.318 8.048 457 HA3 GLY 63 2HA GLY 63 7.772 2.746 7.915 458 H ASN 64 HN ASN 64 8.933 3.454 5.702 459 HA ASN 64 HA ASN 64 8.726 4.272 3.547 460 HB2 ASN 64 2HB ASN 64 6.468 2.437 4.177 461 HB3 ASN 64 3HB ASN 64 6.418 3.284 2.634 462 HD21 ASN 64 1HD2 ASN 64 6.507 0.802 2.204 463 HD22 ASN 64 2HD2 ASN 64 8.084 0.193 1.848 464 H LYS 65 HN LYS 65 8.327 6.465 4.850 465 HA LYS 65 HA LYS 65 5.684 7.561 4.315 466 HB2 LYS 65 2HB LYS 65 7.492 8.000 6.323 467 HB3 LYS 65 3HB LYS 65 7.780 9.385 5.277 468 HG2 LYS 65 2HG LYS 65 5.868 10.369 5.863 469 HG3 LYS 65 3HG LYS 65 4.951 8.866 5.747 470 HD2 LYS 65 2HD LYS 65 4.794 9.181 7.993 471 HD3 LYS 65 3HD LYS 65 6.339 8.329 7.961 472 HE2 LYS 65 2HE LYS 65 7.268 10.789 7.650 473 HE3 LYS 65 3HE LYS 65 5.756 11.202 8.455 474 HZ1 LYS 65 1HZ LYS 65 6.353 9.844 10.309 475 HZ2 LYS 65 2HZ LYS 65 7.647 10.886 9.989 476 HZ3 LYS 65 3HZ LYS 65 7.733 9.262 9.521 477 H ASP 66 HN ASP 66 5.346 8.085 2.244 478 HA ASP 66 HA ASP 66 7.004 10.123 1.042 479 HB2 ASP 66 2HB ASP 66 7.835 7.654 0.465 480 HB3 ASP 66 3HB ASP 66 6.550 7.777 -0.734 481 H GLY 67 HN GLY 67 4.244 7.950 0.829 482 HA2 GLY 67 1HA GLY 67 2.183 9.528 0.494 483 HA3 GLY 67 2HA GLY 67 2.934 9.747 -1.080 484 H SER 68 HN SER 68 2.732 6.779 0.833 485 HA SER 68 HA SER 68 0.707 5.686 -0.940 486 HB2 SER 68 2HB SER 68 2.536 3.620 -0.964 487 HB3 SER 68 3HB SER 68 2.231 4.730 -2.299 488 HG SER 68 HG SER 68 3.928 5.807 -0.483 489 H LEU 69 HN LEU 69 3.026 3.772 0.857 490 HA LEU 69 HA LEU 69 1.594 3.629 3.290 491 HB2 LEU 69 2HB LEU 69 0.641 1.415 3.109 492 HB3 LEU 69 3HB LEU 69 -0.045 2.481 1.883 493 HG LEU 69 HG LEU 69 0.334 0.254 0.989 494 HD11 LEU 69 1HD1 LEU 69 0.967 2.580 -0.217 495 HD12 LEU 69 2HD1 LEU 69 1.017 1.009 -1.017 496 HD13 LEU 69 3HD1 LEU 69 2.497 1.716 -0.368 497 HD21 LEU 69 1HD2 LEU 69 3.288 0.616 1.279 498 HD22 LEU 69 2HD2 LEU 69 2.361 -0.859 1.000 499 HD23 LEU 69 3HD2 LEU 69 2.346 -0.095 2.590 500 H GLN 70 HN GLN 70 2.253 1.392 4.428 501 HA GLN 70 HA GLN 70 5.036 0.772 3.731 502 HB2 GLN 70 2HB GLN 70 4.995 2.494 5.526 503 HB3 GLN 70 3HB GLN 70 4.082 1.379 6.534 504 HG2 GLN 70 2HG GLN 70 6.147 -0.196 5.982 505 HG3 GLN 70 3HG GLN 70 6.945 1.364 5.793 506 HE21 GLN 70 1HE2 GLN 70 7.457 -0.633 7.786 507 HE22 GLN 70 2HE2 GLN 70 7.140 0.092 9.322 508 H CYS 71 HN CYS 71 5.789 -1.264 4.457 509 HA CYS 71 HA CYS 71 3.634 -3.200 4.822 510 HB2 CYS 71 2HB CYS 71 5.123 -3.773 3.053 511 HB3 CYS 71 3HB CYS 71 6.540 -3.472 4.054 512 HA PRO 72 HA PRO 72 4.754 -3.128 9.188 513 HB2 PRO 72 2HB PRO 72 2.571 -4.525 9.996 514 HB3 PRO 72 3HB PRO 72 2.525 -2.795 9.637 515 HG2 PRO 72 2HG PRO 72 1.700 -5.106 7.923 516 HG3 PRO 72 3HG PRO 72 0.881 -3.553 8.179 517 HD2 PRO 72 2HD PRO 72 2.379 -4.066 5.982 518 HD3 PRO 72 3HD PRO 72 2.249 -2.444 6.691 519 H SER 73 HN SER 73 3.931 -5.868 7.159 520 HA SER 73 HA SER 73 4.428 -8.001 8.827 521 HB2 SER 73 2HB SER 73 3.768 -8.829 6.817 522 HB3 SER 73 3HB SER 73 4.561 -7.539 5.914 523 HG SER 73 HG SER 73 6.541 -8.628 6.249 524 H CYS 74 HN CYS 74 6.847 -6.673 6.564 525 HA CYS 74 HA CYS 74 8.934 -7.488 8.478 526 HB2 CYS 74 2HB CYS 74 10.404 -7.922 6.666 527 HB3 CYS 74 3HB CYS 74 8.867 -8.658 6.223 528 H LYS 75 HN LYS 75 7.395 -4.924 8.233 529 HA LYS 75 HA LYS 75 7.741 -2.665 8.213 530 HB2 LYS 75 2HB LYS 75 9.212 -3.695 10.138 531 HB3 LYS 75 3HB LYS 75 10.548 -3.162 9.126 532 HG2 LYS 75 2HG LYS 75 8.340 -1.385 10.144 533 HG3 LYS 75 3HG LYS 75 9.947 -1.528 10.861 534 HD2 LYS 75 2HD LYS 75 10.951 -0.734 8.780 535 HD3 LYS 75 3HD LYS 75 9.351 -0.615 8.044 536 HE2 LYS 75 2HE LYS 75 9.887 1.571 8.726 537 HE3 LYS 75 3HE LYS 75 8.763 0.967 9.942 538 HZ1 LYS 75 1HZ LYS 75 11.647 0.648 10.388 539 HZ2 LYS 75 2HZ LYS 75 10.399 0.825 11.515 540 HZ3 LYS 75 3HZ LYS 75 10.947 2.167 10.644 541 H THR 76 HN THR 76 7.830 -3.165 5.733 542 HA THR 76 HA THR 76 10.402 -2.204 4.663 543 HB THR 76 HB THR 76 8.549 -4.249 3.748 544 HG1 THR 76 1HG THR 76 10.915 -4.331 4.062 545 HG21 THR 76 1HG2 THR 76 9.384 -2.110 1.789 546 HG22 THR 76 2HG2 THR 76 7.737 -2.572 2.216 547 HG23 THR 76 3HG2 THR 76 8.768 -3.698 1.333 Start of MODEL 19 1 H1 ASN 1 HN ASN 1 4.056 4.922 -6.429 2 HA ASN 1 HA ASN 1 4.235 4.725 -3.594 3 HB2 ASN 1 2HB ASN 1 2.036 3.082 -4.858 4 HB3 ASN 1 3HB ASN 1 2.448 3.188 -3.149 5 HD21 ASN 1 1HD2 ASN 1 2.750 5.909 -2.861 6 HD22 ASN 1 2HD2 ASN 1 1.222 6.681 -3.099 7 H TYR 2 HN TYR 2 4.503 2.285 -2.977 8 HA TYR 2 HA TYR 2 6.340 1.150 -4.960 9 HB2 TYR 2 2HB TYR 2 6.213 -0.038 -2.257 10 HB3 TYR 2 3HB TYR 2 7.610 0.382 -3.240 11 HD1 TYR 2 1HD TYR 2 5.745 1.228 -0.378 12 HD2 TYR 2 2HD TYR 2 8.055 2.960 -3.502 13 HE1 TYR 2 1HE TYR 2 6.109 3.228 1.008 14 HE2 TYR 2 2HE TYR 2 8.428 4.963 -2.125 15 HH TYR 2 HH TYR 2 6.844 6.003 0.073 16 H THR 3 HN THR 3 3.269 0.669 -3.586 17 HA THR 3 HA THR 3 3.233 -2.167 -4.352 18 HB THR 3 HB THR 3 2.099 -2.426 -2.450 19 HG1 THR 3 1HG THR 3 0.112 -0.733 -3.598 20 HG21 THR 3 1HG2 THR 3 1.313 -0.501 -1.083 21 HG22 THR 3 2HG2 THR 3 1.793 0.577 -2.393 22 HG23 THR 3 3HG2 THR 3 3.009 -0.382 -1.550 23 H GLU 4 HN GLU 4 1.479 -2.987 -5.615 24 HA GLU 4 HA GLU 4 0.201 -0.947 -7.315 25 HB2 GLU 4 2HB GLU 4 1.228 -1.892 -9.056 26 HB3 GLU 4 3HB GLU 4 1.898 -3.151 -8.028 27 HG2 GLU 4 2HG GLU 4 -0.060 -4.509 -8.324 28 HG3 GLU 4 3HG GLU 4 -0.861 -3.223 -9.223 29 H GLU 5 HN GLU 5 -1.936 -0.910 -7.172 30 HA GLU 5 HA GLU 5 -3.556 -2.359 -5.588 31 HB2 GLU 5 2HB GLU 5 -4.102 -0.388 -7.187 32 HB3 GLU 5 3HB GLU 5 -4.539 -1.647 -8.334 33 HG2 GLU 5 2HG GLU 5 -6.142 -2.541 -6.677 34 HG3 GLU 5 3HG GLU 5 -5.754 -1.185 -5.621 35 H LEU 6 HN LEU 6 -4.802 -4.220 -5.686 36 HA LEU 6 HA LEU 6 -3.931 -6.178 -7.701 37 HB2 LEU 6 2HB LEU 6 -4.987 -6.531 -4.905 38 HB3 LEU 6 3HB LEU 6 -4.761 -7.865 -6.034 39 HG LEU 6 HG LEU 6 -2.768 -6.335 -4.470 40 HD11 LEU 6 1HD1 LEU 6 -1.661 -8.650 -4.708 41 HD12 LEU 6 2HD1 LEU 6 -3.225 -9.163 -5.339 42 HD13 LEU 6 3HD1 LEU 6 -3.107 -8.501 -3.709 43 HD21 LEU 6 1HD2 LEU 6 -2.143 -5.732 -6.749 44 HD22 LEU 6 2HD2 LEU 6 -2.166 -7.433 -7.216 45 HD23 LEU 6 3HD2 LEU 6 -0.975 -6.855 -6.050 46 H LYS 7 HN LYS 7 -5.348 -6.488 -9.276 47 HA LYS 7 HA LYS 7 -7.991 -5.630 -9.313 48 HB2 LYS 7 2HB LYS 7 -6.254 -7.220 -11.010 49 HB3 LYS 7 3HB LYS 7 -7.909 -7.813 -11.051 50 HG2 LYS 7 2HG LYS 7 -8.563 -6.125 -12.331 51 HG3 LYS 7 3HG LYS 7 -7.830 -4.937 -11.251 52 HD2 LYS 7 2HD LYS 7 -6.492 -4.542 -13.025 53 HD3 LYS 7 3HD LYS 7 -5.622 -5.954 -12.422 54 HE2 LYS 7 2HE LYS 7 -7.820 -6.048 -14.484 55 HE3 LYS 7 3HE LYS 7 -6.098 -6.028 -14.862 56 HZ1 LYS 7 1HZ LYS 7 -7.580 -8.251 -14.473 57 HZ2 LYS 7 2HZ LYS 7 -6.846 -8.056 -12.961 58 HZ3 LYS 7 3HZ LYS 7 -5.893 -8.178 -14.354 59 H VAL 8 HN VAL 8 -6.649 -8.250 -7.658 60 HA VAL 8 HA VAL 8 -9.252 -9.101 -6.748 61 HB VAL 8 HB VAL 8 -8.363 -11.588 -7.221 62 HG11 VAL 8 1HG1 VAL 8 -10.119 -11.782 -8.689 63 HG12 VAL 8 2HG1 VAL 8 -10.530 -10.265 -7.886 64 HG13 VAL 8 3HG1 VAL 8 -9.771 -10.245 -9.479 65 HG21 VAL 8 1HG2 VAL 8 -6.381 -10.859 -8.431 66 HG22 VAL 8 2HG2 VAL 8 -7.477 -11.728 -9.505 67 HG23 VAL 8 3HG2 VAL 8 -7.388 -9.968 -9.573 68 HA PRO 9 HA PRO 9 -7.072 -9.977 -3.042 69 HB2 PRO 9 2HB PRO 9 -8.476 -12.069 -2.034 70 HB3 PRO 9 3HB PRO 9 -9.105 -10.419 -2.070 71 HG2 PRO 9 2HG PRO 9 -9.651 -12.694 -3.937 72 HG3 PRO 9 3HG PRO 9 -10.784 -11.517 -3.246 73 HD2 PRO 9 2HD PRO 9 -9.825 -11.308 -5.769 74 HD3 PRO 9 3HD PRO 9 -10.225 -9.889 -4.779 75 HA PRO 10 HA PRO 10 -4.138 -13.111 -4.258 76 HB2 PRO 10 2HB PRO 10 -2.429 -12.718 -2.186 77 HB3 PRO 10 3HB PRO 10 -2.513 -11.635 -3.581 78 HG2 PRO 10 2HG PRO 10 -3.740 -11.329 -0.867 79 HG3 PRO 10 3HG PRO 10 -2.912 -10.118 -1.864 80 HD2 PRO 10 2HD PRO 10 -5.610 -10.270 -1.698 81 HD3 PRO 10 3HD PRO 10 -4.773 -9.737 -3.170 82 H ASP 11 HN ASP 11 -3.617 -13.144 -0.831 83 HA ASP 11 HA ASP 11 -5.340 -14.952 0.198 84 HB2 ASP 11 2HB ASP 11 -3.549 -16.240 -1.755 85 HB3 ASP 11 3HB ASP 11 -3.649 -17.057 -0.198 86 H GLU 12 HN GLU 12 -3.473 -12.921 0.949 87 HA GLU 12 HA GLU 12 -1.729 -14.393 2.810 88 HB2 GLU 12 2HB GLU 12 -1.201 -12.200 1.074 89 HB3 GLU 12 3HB GLU 12 -1.068 -11.619 2.728 90 HG2 GLU 12 2HG GLU 12 0.975 -12.453 2.791 91 HG3 GLU 12 3HG GLU 12 0.270 -14.065 2.699 92 H ASP 13 HN ASP 13 -4.359 -12.191 2.524 93 HA ASP 13 HA ASP 13 -5.768 -11.271 4.057 94 HB2 ASP 13 2HB ASP 13 -4.327 -13.052 6.034 95 HB3 ASP 13 3HB ASP 13 -5.871 -12.248 6.299 96 H CYS 14 HN CYS 14 -5.717 -9.301 4.933 97 HA CYS 14 HA CYS 14 -3.531 -7.724 5.167 98 HB2 CYS 14 2HB CYS 14 -5.843 -6.895 5.332 99 HB3 CYS 14 3HB CYS 14 -5.973 -7.584 6.948 100 H ILE 15 HN ILE 15 -2.475 -6.772 7.100 101 HA ILE 15 HA ILE 15 -1.999 -8.827 9.159 102 HB ILE 15 HB ILE 15 0.186 -6.963 8.943 103 HG12 ILE 15 2HG1 ILE 15 -0.673 -6.894 6.560 104 HG13 ILE 15 3HG1 ILE 15 0.994 -7.423 6.749 105 HG21 ILE 15 1HG2 ILE 15 1.419 -9.149 8.541 106 HG22 ILE 15 2HG2 ILE 15 0.511 -9.013 10.046 107 HG23 ILE 15 3HG2 ILE 15 -0.150 -9.938 8.699 108 HD11 ILE 15 1HD1 ILE 15 -1.039 -8.712 5.364 109 HD12 ILE 15 2HD1 ILE 15 0.558 -9.350 5.755 110 HD13 ILE 15 3HD1 ILE 15 -0.804 -9.665 6.829 111 H ILE 16 HN ILE 16 -2.680 -5.511 8.462 112 HA ILE 16 HA ILE 16 -2.030 -4.442 11.020 113 HB ILE 16 HB ILE 16 -4.138 -3.184 9.327 114 HG12 ILE 16 2HG1 ILE 16 -1.364 -3.798 8.478 115 HG13 ILE 16 3HG1 ILE 16 -2.811 -3.552 7.507 116 HG21 ILE 16 1HG2 ILE 16 -1.733 -1.843 10.479 117 HG22 ILE 16 2HG2 ILE 16 -3.349 -1.199 10.194 118 HG23 ILE 16 3HG2 ILE 16 -3.067 -2.311 11.533 119 HD11 ILE 16 1HD1 ILE 16 -0.808 -1.601 8.462 120 HD12 ILE 16 2HD1 ILE 16 -1.672 -1.689 6.926 121 HD13 ILE 16 3HD1 ILE 16 -2.485 -1.061 8.360 122 H CYS 17 HN CYS 17 -5.247 -4.817 9.522 123 HA CYS 17 HA CYS 17 -6.446 -4.952 12.172 124 HB2 CYS 17 2HB CYS 17 -8.549 -4.635 11.083 125 HB3 CYS 17 3HB CYS 17 -7.406 -3.533 10.322 126 H MET 18 HN MET 18 -4.810 -7.157 10.929 127 HA MET 18 HA MET 18 -4.954 -9.416 10.457 128 HB2 MET 18 2HB MET 18 -5.527 -8.769 13.109 129 HB3 MET 18 3HB MET 18 -6.737 -9.970 12.680 130 HG2 MET 18 2HG MET 18 -4.006 -10.624 11.840 131 HG3 MET 18 3HG MET 18 -4.246 -10.530 13.583 132 HE1 MET 18 1HE MET 18 -3.824 -12.986 11.037 133 HE2 MET 18 2HE MET 18 -5.305 -13.928 10.867 134 HE3 MET 18 3HE MET 18 -5.234 -12.276 10.251 135 H GLU 19 HN GLU 19 -6.790 -8.140 8.848 136 HA GLU 19 HA GLU 19 -9.108 -9.958 8.950 137 HB2 GLU 19 2HB GLU 19 -9.478 -7.417 9.246 138 HB3 GLU 19 3HB GLU 19 -9.128 -7.311 7.527 139 HG2 GLU 19 2HG GLU 19 -11.500 -7.388 7.845 140 HG3 GLU 19 3HG GLU 19 -10.972 -8.889 7.087 141 H LYS 20 HN LYS 20 -9.970 -10.649 6.896 142 HA LYS 20 HA LYS 20 -8.100 -11.704 5.158 143 HB2 LYS 20 2HB LYS 20 -10.912 -11.695 5.389 144 HB3 LYS 20 3HB LYS 20 -10.552 -11.204 3.738 145 HG2 LYS 20 2HG LYS 20 -8.923 -13.268 3.835 146 HG3 LYS 20 3HG LYS 20 -10.028 -13.787 5.109 147 HD2 LYS 20 2HD LYS 20 -10.869 -12.980 2.326 148 HD3 LYS 20 3HD LYS 20 -10.641 -14.646 2.864 149 HE2 LYS 20 2HE LYS 20 -12.531 -12.725 4.207 150 HE3 LYS 20 3HE LYS 20 -13.017 -13.786 2.885 151 HZ1 LYS 20 1HZ LYS 20 -12.905 -14.399 5.583 152 HZ2 LYS 20 2HZ LYS 20 -11.649 -15.271 4.860 153 HZ3 LYS 20 3HZ LYS 20 -13.236 -15.454 4.303 154 H LEU 21 HN LEU 21 -7.392 -11.171 3.077 155 HA LEU 21 HA LEU 21 -7.059 -8.354 2.618 156 HB2 LEU 21 2HB LEU 21 -5.994 -10.864 1.488 157 HB3 LEU 21 3HB LEU 21 -6.041 -9.482 0.395 158 HG LEU 21 HG LEU 21 -4.608 -9.592 3.050 159 HD11 LEU 21 1HD1 LEU 21 -3.658 -10.938 1.130 160 HD12 LEU 21 2HD1 LEU 21 -2.594 -9.721 1.832 161 HD13 LEU 21 3HD1 LEU 21 -3.407 -9.402 0.301 162 HD21 LEU 21 1HD2 LEU 21 -4.471 -7.380 2.973 163 HD22 LEU 21 2HD2 LEU 21 -5.557 -7.378 1.583 164 HD23 LEU 21 3HD2 LEU 21 -3.811 -7.447 1.338 165 H SER 22 HN SER 22 -9.628 -10.216 2.101 166 HA SER 22 HA SER 22 -10.342 -8.862 -0.418 167 HB2 SER 22 2HB SER 22 -11.299 -10.756 -1.239 168 HB3 SER 22 3HB SER 22 -10.197 -11.550 -0.114 169 HG SER 22 HG SER 22 -12.134 -12.386 0.392 170 H THR 23 HN THR 23 -11.143 -9.475 2.867 171 HA THR 23 HA THR 23 -13.881 -8.568 2.642 172 HB THR 23 HB THR 23 -13.536 -8.537 5.276 173 HG1 THR 23 1HG THR 23 -11.218 -8.976 4.954 174 HG21 THR 23 1HG2 THR 23 -14.043 -11.012 5.263 175 HG22 THR 23 2HG2 THR 23 -13.806 -10.969 3.515 176 HG23 THR 23 3HG2 THR 23 -15.094 -10.018 4.254 177 H ALA 24 HN ALA 24 -11.799 -6.744 1.758 178 HA ALA 24 HA ALA 24 -11.223 -4.544 1.891 179 HB1 ALA 24 1HB ALA 24 -12.930 -3.067 3.071 180 HB2 ALA 24 2HB ALA 24 -13.506 -4.032 1.710 181 HB3 ALA 24 3HB ALA 24 -13.840 -4.549 3.363 182 H SER 25 HN SER 25 -10.911 -2.653 3.566 183 HA SER 25 HA SER 25 -9.165 -3.692 5.587 184 HB2 SER 25 2HB SER 25 -8.298 -1.731 4.742 185 HB3 SER 25 3HB SER 25 -9.884 -0.982 4.564 186 HG SER 25 HG SER 25 -9.853 -0.375 6.627 187 H GLY 26 HN GLY 26 -9.296 -3.285 7.851 188 HA2 GLY 26 1HA GLY 26 -12.061 -3.316 8.813 189 HA3 GLY 26 2HA GLY 26 -10.645 -3.829 9.717 190 H TYR 27 HN TYR 27 -9.399 -1.191 8.634 191 HA TYR 27 HA TYR 27 -10.150 0.361 10.963 192 HB2 TYR 27 2HB TYR 27 -8.055 0.757 8.824 193 HB3 TYR 27 3HB TYR 27 -8.333 1.908 10.127 194 HD1 TYR 27 1HD TYR 27 -9.008 -1.194 11.496 195 HD2 TYR 27 2HD TYR 27 -5.725 1.170 10.181 196 HE1 TYR 27 1HE TYR 27 -7.505 -2.483 12.954 197 HE2 TYR 27 2HE TYR 27 -4.212 -0.113 11.635 198 HH TYR 27 HH TYR 27 -4.312 -1.495 13.632 199 H SER 28 HN SER 28 -11.280 0.077 7.856 200 HA SER 28 HA SER 28 -11.674 2.520 6.772 201 HB2 SER 28 2HB SER 28 -13.125 1.413 5.463 202 HB3 SER 28 3HB SER 28 -12.888 0.013 6.508 203 HG SER 28 HG SER 28 -14.986 1.848 6.427 204 H ASP 29 HN ASP 29 -12.963 1.387 9.774 205 HA ASP 29 HA ASP 29 -15.136 3.095 10.127 206 HB2 ASP 29 2HB ASP 29 -13.887 1.183 11.650 207 HB3 ASP 29 3HB ASP 29 -13.531 2.657 12.547 208 H VAL 30 HN VAL 30 -11.812 3.567 11.342 209 HA VAL 30 HA VAL 30 -12.357 6.374 11.834 210 HB VAL 30 HB VAL 30 -9.761 4.872 12.184 211 HG11 VAL 30 1HG1 VAL 30 -9.585 6.826 13.952 212 HG12 VAL 30 2HG1 VAL 30 -9.111 7.062 12.269 213 HG13 VAL 30 3HG1 VAL 30 -10.685 7.623 12.829 214 HG21 VAL 30 1HG2 VAL 30 -11.636 3.920 13.507 215 HG22 VAL 30 2HG2 VAL 30 -10.346 4.599 14.501 216 HG23 VAL 30 3HG2 VAL 30 -11.847 5.497 14.270 217 H THR 31 HN THR 31 -9.616 4.754 10.231 218 HA THR 31 HA THR 31 -8.554 6.807 8.837 219 HB THR 31 HB THR 31 -7.944 5.164 7.029 220 HG1 THR 31 1HG THR 31 -8.534 2.900 7.818 221 HG21 THR 31 1HG2 THR 31 -7.029 3.495 9.014 222 HG22 THR 31 2HG2 THR 31 -7.336 4.999 9.882 223 HG23 THR 31 3HG2 THR 31 -6.252 4.988 8.491 224 H ASP 32 HN ASP 32 -10.038 8.340 8.147 225 HA ASP 32 HA ASP 32 -12.020 7.554 6.151 226 HB2 ASP 32 2HB ASP 32 -12.216 9.302 8.203 227 HB3 ASP 32 3HB ASP 32 -11.743 10.402 6.910 228 H SER 33 HN SER 33 -10.076 7.038 4.739 229 HA SER 33 HA SER 33 -8.617 9.235 3.620 230 HB2 SER 33 2HB SER 33 -7.441 7.651 2.406 231 HB3 SER 33 3HB SER 33 -7.995 6.679 3.769 232 HG SER 33 HG SER 33 -9.201 5.555 2.460 233 H LYS 34 HN LYS 34 -8.597 9.541 1.183 234 HA LYS 34 HA LYS 34 -11.311 9.372 0.064 235 HB2 LYS 34 2HB LYS 34 -11.181 11.629 -0.767 236 HB3 LYS 34 3HB LYS 34 -10.884 11.652 0.966 237 HG2 LYS 34 2HG LYS 34 -8.601 11.556 -0.961 238 HG3 LYS 34 3HG LYS 34 -9.405 13.083 -0.588 239 HD2 LYS 34 2HD LYS 34 -8.733 11.480 1.769 240 HD3 LYS 34 3HD LYS 34 -7.331 12.001 0.830 241 HE2 LYS 34 2HE LYS 34 -7.508 13.896 2.020 242 HE3 LYS 34 3HE LYS 34 -8.814 14.281 0.900 243 HZ1 LYS 34 1HZ LYS 34 -10.416 13.712 2.441 244 HZ2 LYS 34 2HZ LYS 34 -9.240 14.437 3.417 245 HZ3 LYS 34 3HZ LYS 34 -9.367 12.752 3.358 246 H ALA 35 HN ALA 35 -9.193 7.611 -0.473 247 HA ALA 35 HA ALA 35 -9.025 7.910 -3.333 248 HB1 ALA 35 1HB ALA 35 -6.390 7.399 -2.932 249 HB2 ALA 35 2HB ALA 35 -7.060 8.994 -3.281 250 HB3 ALA 35 3HB ALA 35 -6.727 8.523 -1.614 251 H LEU 36 HN LEU 36 -8.158 6.130 -0.424 252 HA LEU 36 HA LEU 36 -7.593 3.685 -1.816 253 HB2 LEU 36 2HB LEU 36 -8.224 4.022 1.107 254 HB3 LEU 36 3HB LEU 36 -7.343 2.701 0.343 255 HG LEU 36 HG LEU 36 -6.123 5.342 -0.029 256 HD11 LEU 36 1HD1 LEU 36 -5.242 4.660 2.514 257 HD12 LEU 36 2HD1 LEU 36 -6.998 4.532 2.602 258 HD13 LEU 36 3HD1 LEU 36 -6.250 6.040 2.076 259 HD21 LEU 36 1HD2 LEU 36 -4.974 3.367 -0.732 260 HD22 LEU 36 2HD2 LEU 36 -5.167 2.625 0.856 261 HD23 LEU 36 3HD2 LEU 36 -4.117 4.029 0.660 262 H GLY 37 HN GLY 37 -10.399 5.185 -0.405 263 HA2 GLY 37 1HA GLY 37 -12.599 4.539 -0.287 264 HA3 GLY 37 2HA GLY 37 -12.253 3.618 -1.743 265 H SER 38 HN SER 38 -10.369 2.771 0.970 266 HA SER 38 HA SER 38 -10.193 0.778 2.079 267 HB2 SER 38 2HB SER 38 -11.936 0.378 3.613 268 HB3 SER 38 3HB SER 38 -12.046 2.106 3.280 269 HG SER 38 HG SER 38 -14.025 1.692 2.738 270 H LEU 39 HN LEU 39 -10.118 0.138 -0.457 271 HA LEU 39 HA LEU 39 -11.097 -2.484 -0.587 272 HB2 LEU 39 2HB LEU 39 -13.236 -1.215 -0.920 273 HB3 LEU 39 3HB LEU 39 -12.557 -0.595 -2.423 274 HG LEU 39 HG LEU 39 -12.303 -3.352 -2.643 275 HD11 LEU 39 1HD1 LEU 39 -15.155 -3.067 -2.031 276 HD12 LEU 39 2HD1 LEU 39 -14.091 -3.044 -0.625 277 HD13 LEU 39 3HD1 LEU 39 -14.055 -4.414 -1.735 278 HD21 LEU 39 1HD2 LEU 39 -13.646 -3.093 -4.504 279 HD22 LEU 39 2HD2 LEU 39 -13.042 -1.456 -4.257 280 HD23 LEU 39 3HD2 LEU 39 -14.669 -1.884 -3.729 281 H ALA 40 HN ALA 40 -8.636 -1.753 -0.970 282 HA ALA 40 HA ALA 40 -8.104 -2.456 -3.702 283 HB1 ALA 40 1HB ALA 40 -6.545 -0.407 -3.957 284 HB2 ALA 40 2HB ALA 40 -8.272 -0.211 -4.256 285 HB3 ALA 40 3HB ALA 40 -7.577 0.323 -2.726 286 H VAL 41 HN VAL 41 -7.016 -4.210 -2.836 287 HA VAL 41 HA VAL 41 -4.848 -3.779 -0.953 288 HB VAL 41 HB VAL 41 -5.948 -5.756 -0.447 289 HG11 VAL 41 1HG1 VAL 41 -7.429 -6.360 -2.031 290 HG12 VAL 41 2HG1 VAL 41 -6.349 -5.920 -3.356 291 HG13 VAL 41 3HG1 VAL 41 -6.150 -7.467 -2.531 292 HG21 VAL 41 1HG2 VAL 41 -3.390 -5.941 -0.925 293 HG22 VAL 41 2HG2 VAL 41 -4.331 -7.395 -0.593 294 HG23 VAL 41 3HG2 VAL 41 -3.909 -6.979 -2.254 295 H GLY 42 HN GLY 42 -2.738 -3.669 -1.441 296 HA2 GLY 42 1HA GLY 42 -1.849 -4.554 -4.098 297 HA3 GLY 42 2HA GLY 42 -1.523 -2.899 -3.605 298 H HIS 43 HN HIS 43 0.031 -5.604 -4.060 299 HA HIS 43 HA HIS 43 1.416 -5.925 -1.557 300 HB2 HIS 43 2HB HIS 43 2.761 -7.571 -2.722 301 HB3 HIS 43 3HB HIS 43 1.066 -7.811 -3.138 302 HD1 HIS 43 1HD HIS 43 4.056 -5.967 -4.617 303 HD2 HIS 43 2HD HIS 43 0.698 -8.114 -5.793 304 HE1 HIS 43 1HE HIS 43 4.191 -6.107 -7.125 305 H LEU 44 HN LEU 44 3.273 -5.000 -0.920 306 HA LEU 44 HA LEU 44 4.264 -2.730 -2.310 307 HB2 LEU 44 2HB LEU 44 4.436 -3.762 0.272 308 HB3 LEU 44 3HB LEU 44 6.092 -3.772 -0.328 309 HG LEU 44 HG LEU 44 4.725 -1.252 -0.839 310 HD11 LEU 44 1HD1 LEU 44 3.572 -1.311 1.126 311 HD12 LEU 44 2HD1 LEU 44 5.118 -0.699 1.713 312 HD13 LEU 44 3HD1 LEU 44 4.720 -2.407 1.898 313 HD21 LEU 44 1HD2 LEU 44 7.109 -1.525 -1.105 314 HD22 LEU 44 2HD2 LEU 44 7.271 -2.032 0.577 315 HD23 LEU 44 3HD2 LEU 44 6.788 -0.378 0.197 316 H THR 45 HN THR 45 5.343 -2.947 -4.165 317 HA THR 45 HA THR 45 6.620 -5.063 -5.249 318 HB THR 45 HB THR 45 8.064 -3.501 -6.505 319 HG1 THR 45 1HG THR 45 8.620 -1.903 -5.132 320 HG21 THR 45 1HG2 THR 45 6.059 -1.892 -7.154 321 HG22 THR 45 2HG2 THR 45 5.145 -3.032 -6.165 322 HG23 THR 45 3HG2 THR 45 6.041 -3.604 -7.572 323 H LYS 46 HN LYS 46 7.806 -3.060 -2.657 324 HA LYS 46 HA LYS 46 10.517 -3.641 -2.697 325 HB2 LYS 46 2HB LYS 46 8.624 -3.123 -0.412 326 HB3 LYS 46 3HB LYS 46 10.348 -3.354 -0.160 327 HG2 LYS 46 2HG LYS 46 9.646 -1.374 -2.210 328 HG3 LYS 46 3HG LYS 46 9.166 -0.960 -0.563 329 HD2 LYS 46 2HD LYS 46 11.877 -2.038 -0.765 330 HD3 LYS 46 3HD LYS 46 11.644 -0.534 -1.657 331 HE2 LYS 46 2HE LYS 46 11.383 0.687 0.220 332 HE3 LYS 46 3HE LYS 46 10.480 -0.583 1.043 333 HZ1 LYS 46 1HZ LYS 46 12.369 -1.529 1.859 334 HZ2 LYS 46 2HZ LYS 46 12.874 0.084 1.812 335 HZ3 LYS 46 3HZ LYS 46 13.347 -0.985 0.590 336 H CYS 47 HN CYS 47 8.224 -5.221 -0.471 337 HA CYS 47 HA CYS 47 9.875 -7.650 -0.647 338 HB2 CYS 47 2HB CYS 47 8.988 -8.253 1.545 339 HB3 CYS 47 3HB CYS 47 9.710 -6.648 1.601 340 H SER 48 HN SER 48 6.640 -6.371 -0.949 341 HA SER 48 HA SER 48 4.748 -7.219 -1.888 342 HB2 SER 48 2HB SER 48 6.521 -9.495 -2.805 343 HB3 SER 48 3HB SER 48 4.926 -9.094 -3.440 344 HG SER 48 HG SER 48 7.261 -8.155 -4.228 345 H HIS 49 HN HIS 49 3.920 -7.520 0.243 346 HA HIS 49 HA HIS 49 3.804 -10.346 1.070 347 HB2 HIS 49 2HB HIS 49 3.789 -7.837 2.747 348 HB3 HIS 49 3HB HIS 49 3.318 -9.412 3.380 349 HD2 HIS 49 2HD HIS 49 6.322 -9.684 1.042 350 HE1 HIS 49 1HE HIS 49 7.848 -9.557 4.998 351 HE2 HIS 49 2HE HIS 49 8.400 -9.906 2.566 352 H ALA 50 HN ALA 50 2.048 -7.436 0.367 353 HA ALA 50 HA ALA 50 -0.158 -7.246 -0.286 354 HB1 ALA 50 1HB ALA 50 -0.826 -9.900 0.924 355 HB2 ALA 50 2HB ALA 50 -1.581 -9.070 -0.438 356 HB3 ALA 50 3HB ALA 50 0.013 -9.804 -0.625 357 H PHE 51 HN PHE 51 -1.786 -6.211 0.763 358 HA PHE 51 HA PHE 51 -2.612 -6.786 3.410 359 HB2 PHE 51 2HB PHE 51 -1.479 -4.109 3.571 360 HB3 PHE 51 3HB PHE 51 -1.345 -5.452 4.700 361 HD1 PHE 51 1HD PHE 51 0.017 -4.197 1.478 362 HD2 PHE 51 2HD PHE 51 0.677 -6.545 4.965 363 HE1 PHE 51 1HE PHE 51 2.366 -4.509 0.818 364 HE2 PHE 51 2HE PHE 51 3.028 -6.860 4.313 365 HZ PHE 51 HZ PHE 51 3.877 -5.841 2.237 366 H HIS 52 HN HIS 52 -3.323 -4.095 4.126 367 HA HIS 52 HA HIS 52 -5.354 -3.576 2.057 368 HB2 HIS 52 2HB HIS 52 -5.423 -3.293 5.053 369 HB3 HIS 52 3HB HIS 52 -6.577 -2.448 4.027 370 HD2 HIS 52 2HD HIS 52 -7.014 -5.103 1.970 371 HE1 HIS 52 1HE HIS 52 -8.546 -6.844 5.524 372 HE2 HIS 52 2HE HIS 52 -8.366 -7.043 3.019 373 H LEU 53 HN LEU 53 -4.383 -2.037 0.818 374 HA LEU 53 HA LEU 53 -2.641 -0.081 1.342 375 HB2 LEU 53 2HB LEU 53 -5.114 -0.008 -0.347 376 HB3 LEU 53 3HB LEU 53 -4.047 1.391 -0.249 377 HG LEU 53 HG LEU 53 -3.151 -1.344 -1.147 378 HD11 LEU 53 1HD1 LEU 53 -3.919 -0.953 -3.193 379 HD12 LEU 53 2HD1 LEU 53 -3.251 0.679 -3.201 380 HD13 LEU 53 3HD1 LEU 53 -4.849 0.385 -2.516 381 HD21 LEU 53 1HD2 LEU 53 -1.856 1.351 -1.518 382 HD22 LEU 53 2HD2 LEU 53 -1.181 -0.231 -1.909 383 HD23 LEU 53 3HD2 LEU 53 -1.439 0.227 -0.224 384 H LEU 54 HN LEU 54 -5.994 -0.092 2.364 385 HA LEU 54 HA LEU 54 -6.083 2.603 3.252 386 HB2 LEU 54 2HB LEU 54 -8.166 1.658 2.890 387 HB3 LEU 54 3HB LEU 54 -7.743 0.165 3.724 388 HG LEU 54 HG LEU 54 -8.184 1.054 5.814 389 HD11 LEU 54 1HD1 LEU 54 -7.228 3.002 6.301 390 HD12 LEU 54 2HD1 LEU 54 -8.659 3.772 5.615 391 HD13 LEU 54 3HD1 LEU 54 -7.231 3.511 4.612 392 HD21 LEU 54 1HD2 LEU 54 -10.329 0.890 5.116 393 HD22 LEU 54 2HD2 LEU 54 -10.072 1.939 3.720 394 HD23 LEU 54 3HD2 LEU 54 -10.286 2.641 5.325 395 H CYS 55 HN CYS 55 -5.579 -0.479 4.953 396 HA CYS 55 HA CYS 55 -5.186 0.710 7.502 397 HB2 CYS 55 2HB CYS 55 -4.166 -1.982 6.585 398 HB3 CYS 55 3HB CYS 55 -4.506 -1.474 8.236 399 H LEU 56 HN LEU 56 -3.013 -0.274 4.907 400 HA LEU 56 HA LEU 56 -0.585 0.031 6.276 401 HB2 LEU 56 2HB LEU 56 -1.020 0.589 3.353 402 HB3 LEU 56 3HB LEU 56 0.465 0.060 4.140 403 HG LEU 56 HG LEU 56 -2.036 -1.581 3.750 404 HD11 LEU 56 1HD1 LEU 56 -1.080 -2.501 1.939 405 HD12 LEU 56 2HD1 LEU 56 0.537 -2.456 2.640 406 HD13 LEU 56 3HD1 LEU 56 -0.142 -1.007 1.900 407 HD21 LEU 56 1HD2 LEU 56 -1.295 -3.004 5.284 408 HD22 LEU 56 2HD2 LEU 56 -0.072 -1.814 5.733 409 HD23 LEU 56 3HD2 LEU 56 0.301 -3.054 4.534 410 H LEU 57 HN LEU 57 -2.605 2.348 4.554 411 HA LEU 57 HA LEU 57 -0.837 4.506 4.472 412 HB2 LEU 57 2HB LEU 57 -3.045 4.341 3.320 413 HB3 LEU 57 3HB LEU 57 -3.819 4.656 4.872 414 HG LEU 57 HG LEU 57 -2.811 6.872 4.943 415 HD11 LEU 57 1HD1 LEU 57 -0.869 7.094 3.860 416 HD12 LEU 57 2HD1 LEU 57 -1.863 7.407 2.438 417 HD13 LEU 57 3HD1 LEU 57 -1.236 5.787 2.735 418 HD21 LEU 57 1HD2 LEU 57 -4.238 7.881 3.418 419 HD22 LEU 57 2HD2 LEU 57 -4.978 6.298 3.657 420 HD23 LEU 57 3HD2 LEU 57 -4.013 6.611 2.214 421 H ALA 58 HN ALA 58 -2.789 3.246 7.080 422 HA ALA 58 HA ALA 58 -2.385 5.535 8.787 423 HB1 ALA 58 1HB ALA 58 -3.205 3.406 10.381 424 HB2 ALA 58 2HB ALA 58 -4.224 4.665 9.681 425 HB3 ALA 58 3HB ALA 58 -3.994 3.139 8.825 426 H MET 59 HN MET 59 -1.320 2.129 8.880 427 HA MET 59 HA MET 59 0.406 2.364 11.056 428 HB2 MET 59 2HB MET 59 -0.325 0.214 10.083 429 HB3 MET 59 3HB MET 59 0.682 0.521 8.674 430 HG2 MET 59 2HG MET 59 2.008 0.605 11.314 431 HG3 MET 59 3HG MET 59 1.476 -0.968 10.728 432 HE1 MET 59 1HE MET 59 2.172 -0.018 7.248 433 HE2 MET 59 2HE MET 59 3.284 -1.378 7.397 434 HE3 MET 59 3HE MET 59 1.702 -1.444 8.174 435 H TYR 60 HN TYR 60 0.979 2.907 7.613 436 HA TYR 60 HA TYR 60 3.704 3.128 7.512 437 HB2 TYR 60 2HB TYR 60 3.015 3.563 5.418 438 HB3 TYR 60 3HB TYR 60 1.463 4.180 5.974 439 HD1 TYR 60 1HD TYR 60 1.712 6.581 7.207 440 HD2 TYR 60 2HD TYR 60 4.322 5.031 4.225 441 HE1 TYR 60 1HE TYR 60 2.415 8.869 6.641 442 HE2 TYR 60 2HE TYR 60 5.033 7.315 3.651 443 HH TYR 60 HH TYR 60 3.401 10.094 4.816 444 H CYS 61 HN CYS 61 1.520 5.123 9.235 445 HA CYS 61 HA CYS 61 2.890 7.549 9.340 446 HB2 CYS 61 2HB CYS 61 1.491 8.119 11.106 447 HB3 CYS 61 3HB CYS 61 0.562 6.866 10.291 448 HG CYS 61 HG CYS 61 0.682 5.027 12.171 449 H ASN 62 HN ASN 62 3.861 4.529 10.457 450 HA ASN 62 HA ASN 62 5.603 5.630 12.535 451 HB2 ASN 62 2HB ASN 62 4.354 3.055 12.051 452 HB3 ASN 62 3HB ASN 62 6.084 2.884 12.337 453 HD21 ASN 62 1HD2 ASN 62 3.027 3.707 13.689 454 HD22 ASN 62 2HD2 ASN 62 3.550 3.860 15.328 455 H GLY 63 HN GLY 63 5.979 3.263 9.883 456 HA2 GLY 63 1HA GLY 63 8.695 4.350 9.466 457 HA3 GLY 63 2HA GLY 63 8.267 2.665 9.213 458 H ASN 64 HN ASN 64 9.305 3.111 7.097 459 HA ASN 64 HA ASN 64 9.290 3.839 4.901 460 HB2 ASN 64 2HB ASN 64 6.893 2.203 5.498 461 HB3 ASN 64 3HB ASN 64 6.888 3.043 3.951 462 HD21 ASN 64 1HD2 ASN 64 6.872 0.813 3.148 463 HD22 ASN 64 2HD2 ASN 64 8.385 0.006 2.936 464 H LYS 65 HN LYS 65 8.806 6.054 6.404 465 HA LYS 65 HA LYS 65 6.403 7.372 5.467 466 HB2 LYS 65 2HB LYS 65 8.233 7.730 7.619 467 HB3 LYS 65 3HB LYS 65 8.228 9.209 6.668 468 HG2 LYS 65 2HG LYS 65 6.382 9.812 7.725 469 HG3 LYS 65 3HG LYS 65 5.541 8.477 6.935 470 HD2 LYS 65 2HD LYS 65 5.217 8.329 9.324 471 HD3 LYS 65 3HD LYS 65 6.238 6.993 8.789 472 HE2 LYS 65 2HE LYS 65 6.891 8.322 10.917 473 HE3 LYS 65 3HE LYS 65 8.140 7.890 9.749 474 HZ1 LYS 65 1HZ LYS 65 6.767 10.520 9.892 475 HZ2 LYS 65 2HZ LYS 65 8.002 10.102 8.815 476 HZ3 LYS 65 3HZ LYS 65 8.323 10.198 10.473 477 H ASP 66 HN ASP 66 6.870 7.240 3.188 478 HA ASP 66 HA ASP 66 8.762 9.326 2.317 479 HB2 ASP 66 2HB ASP 66 8.795 6.566 1.660 480 HB3 ASP 66 3HB ASP 66 8.293 7.439 0.213 481 H GLY 67 HN GLY 67 5.809 7.531 1.495 482 HA2 GLY 67 1HA GLY 67 4.035 9.452 1.054 483 HA3 GLY 67 2HA GLY 67 5.024 9.618 -0.388 484 H SER 68 HN SER 68 4.020 6.688 1.344 485 HA SER 68 HA SER 68 2.155 5.972 -0.746 486 HB2 SER 68 2HB SER 68 4.120 3.819 -0.349 487 HB3 SER 68 3HB SER 68 3.353 4.388 -1.831 488 HG SER 68 HG SER 68 4.830 6.198 -1.724 489 H LEU 69 HN LEU 69 4.075 4.028 1.530 490 HA LEU 69 HA LEU 69 2.246 3.875 3.607 491 HB2 LEU 69 2HB LEU 69 1.279 1.610 3.178 492 HB3 LEU 69 3HB LEU 69 0.651 2.900 2.155 493 HG LEU 69 HG LEU 69 1.241 0.536 1.169 494 HD11 LEU 69 1HD1 LEU 69 2.304 2.639 -0.578 495 HD12 LEU 69 2HD1 LEU 69 0.720 2.978 0.118 496 HD13 LEU 69 3HD1 LEU 69 0.969 1.514 -0.831 497 HD21 LEU 69 1HD2 LEU 69 3.486 0.470 0.214 498 HD22 LEU 69 2HD2 LEU 69 3.545 0.507 1.976 499 HD23 LEU 69 3HD2 LEU 69 3.893 1.968 1.050 500 H GLN 70 HN GLN 70 2.478 1.422 4.635 501 HA GLN 70 HA GLN 70 5.326 0.715 4.467 502 HB2 GLN 70 2HB GLN 70 5.114 2.127 6.413 503 HB3 GLN 70 3HB GLN 70 3.732 1.203 6.986 504 HG2 GLN 70 2HG GLN 70 5.688 0.621 8.257 505 HG3 GLN 70 3HG GLN 70 5.180 -0.755 7.280 506 HE21 GLN 70 1HE2 GLN 70 7.795 0.812 8.343 507 HE22 GLN 70 2HE2 GLN 70 8.908 0.475 7.066 508 H CYS 71 HN CYS 71 5.830 -1.429 5.277 509 HA CYS 71 HA CYS 71 3.672 -3.297 4.685 510 HB2 CYS 71 2HB CYS 71 5.908 -3.540 3.602 511 HB3 CYS 71 3HB CYS 71 6.600 -3.866 5.189 512 HA PRO 72 HA PRO 72 3.137 -3.675 9.141 513 HB2 PRO 72 2HB PRO 72 0.818 -5.078 8.965 514 HB3 PRO 72 3HB PRO 72 0.895 -3.321 8.785 515 HG2 PRO 72 2HG PRO 72 0.763 -5.438 6.672 516 HG3 PRO 72 3HG PRO 72 -0.104 -3.893 6.764 517 HD2 PRO 72 2HD PRO 72 2.092 -4.243 5.219 518 HD3 PRO 72 3HD PRO 72 1.703 -2.691 5.988 519 H SER 73 HN SER 73 3.754 -5.975 6.733 520 HA SER 73 HA SER 73 3.540 -8.311 8.415 521 HB2 SER 73 2HB SER 73 3.126 -8.635 6.073 522 HB3 SER 73 3HB SER 73 4.661 -7.882 5.639 523 HG SER 73 HG SER 73 4.888 -10.023 7.350 524 H CYS 74 HN CYS 74 6.189 -6.428 6.973 525 HA CYS 74 HA CYS 74 7.935 -7.369 9.134 526 HB2 CYS 74 2HB CYS 74 9.759 -7.807 7.630 527 HB3 CYS 74 3HB CYS 74 8.359 -8.713 7.064 528 H LYS 75 HN LYS 75 6.487 -4.863 8.606 529 HA LYS 75 HA LYS 75 6.809 -2.603 8.581 530 HB2 LYS 75 2HB LYS 75 9.356 -3.505 9.934 531 HB3 LYS 75 3HB LYS 75 8.800 -1.837 9.889 532 HG2 LYS 75 2HG LYS 75 7.031 -3.987 10.973 533 HG3 LYS 75 3HG LYS 75 8.309 -3.285 11.970 534 HD2 LYS 75 2HD LYS 75 7.276 -1.016 11.197 535 HD3 LYS 75 3HD LYS 75 5.853 -2.000 10.846 536 HE2 LYS 75 2HE LYS 75 6.621 -2.839 13.363 537 HE3 LYS 75 3HE LYS 75 6.922 -1.102 13.398 538 HZ1 LYS 75 1HZ LYS 75 4.582 -2.085 13.982 539 HZ2 LYS 75 2HZ LYS 75 4.374 -2.047 12.305 540 HZ3 LYS 75 3HZ LYS 75 4.724 -0.622 13.146 541 H THR 76 HN THR 76 8.023 -4.312 6.348 542 HA THR 76 HA THR 76 10.372 -3.187 5.381 543 HB THR 76 HB THR 76 8.232 -4.821 4.288 544 HG1 THR 76 1HG THR 76 11.029 -4.520 3.920 545 HG21 THR 76 1HG2 THR 76 8.584 -4.277 1.934 546 HG22 THR 76 2HG2 THR 76 9.636 -2.937 2.389 547 HG23 THR 76 3HG2 THR 76 7.922 -2.890 2.798 Start of MODEL 20 1 H1 ASN 1 HN ASN 1 -2.371 0.792 -4.501 2 HA ASN 1 HA ASN 1 -3.160 3.312 -4.514 3 HB2 ASN 1 2HB ASN 1 -3.443 3.180 -2.035 4 HB3 ASN 1 3HB ASN 1 -1.697 3.000 -1.884 5 HD21 ASN 1 1HD2 ASN 1 -3.970 5.131 -1.381 6 HD22 ASN 1 2HD2 ASN 1 -3.178 6.600 -1.826 7 H TYR 2 HN TYR 2 -0.189 2.318 -2.827 8 HA TYR 2 HA TYR 2 1.345 3.388 -5.100 9 HB2 TYR 2 2HB TYR 2 2.583 2.921 -2.419 10 HB3 TYR 2 3HB TYR 2 2.987 4.120 -3.643 11 HD1 TYR 2 1HD TYR 2 2.270 6.314 -3.376 12 HD2 TYR 2 2HD TYR 2 0.289 3.220 -1.230 13 HE1 TYR 2 1HE TYR 2 0.963 8.005 -2.157 14 HE2 TYR 2 2HE TYR 2 -1.024 4.902 -0.006 15 HH TYR 2 HH TYR 2 -0.245 8.117 0.105 16 H THR 3 HN THR 3 0.285 0.549 -3.986 17 HA THR 3 HA THR 3 2.746 -0.881 -4.760 18 HB THR 3 HB THR 3 2.360 -2.564 -3.221 19 HG1 THR 3 1HG THR 3 0.179 -2.978 -3.779 20 HG21 THR 3 1HG2 THR 3 1.768 -1.501 -1.057 21 HG22 THR 3 2HG2 THR 3 1.232 -0.072 -1.941 22 HG23 THR 3 3HG2 THR 3 2.926 -0.559 -1.995 23 H GLU 4 HN GLU 4 2.596 -2.507 -6.251 24 HA GLU 4 HA GLU 4 0.926 -2.488 -8.324 25 HB2 GLU 4 2HB GLU 4 2.859 -4.043 -8.034 26 HB3 GLU 4 3HB GLU 4 1.829 -5.076 -7.054 27 HG2 GLU 4 2HG GLU 4 0.658 -5.845 -8.838 28 HG3 GLU 4 3HG GLU 4 0.852 -4.351 -9.752 29 H GLU 5 HN GLU 5 -1.195 -1.952 -7.896 30 HA GLU 5 HA GLU 5 -2.878 -3.176 -6.037 31 HB2 GLU 5 2HB GLU 5 -3.163 -1.056 -7.617 32 HB3 GLU 5 3HB GLU 5 -4.030 -2.216 -8.613 33 HG2 GLU 5 2HG GLU 5 -5.255 -2.755 -6.357 34 HG3 GLU 5 3HG GLU 5 -4.711 -1.134 -5.929 35 H LEU 6 HN LEU 6 -4.327 -4.863 -6.139 36 HA LEU 6 HA LEU 6 -3.773 -6.849 -8.208 37 HB2 LEU 6 2HB LEU 6 -5.418 -7.149 -5.703 38 HB3 LEU 6 3HB LEU 6 -4.831 -8.440 -6.749 39 HG LEU 6 HG LEU 6 -3.285 -6.751 -4.806 40 HD11 LEU 6 1HD1 LEU 6 -3.300 -8.580 -3.552 41 HD12 LEU 6 2HD1 LEU 6 -2.715 -9.570 -4.889 42 HD13 LEU 6 3HD1 LEU 6 -4.445 -9.288 -4.692 43 HD21 LEU 6 1HD2 LEU 6 -2.337 -8.125 -7.265 44 HD22 LEU 6 2HD2 LEU 6 -1.346 -8.244 -5.810 45 HD23 LEU 6 3HD2 LEU 6 -1.740 -6.661 -6.483 46 H LYS 7 HN LYS 7 -5.014 -6.775 -9.957 47 HA LYS 7 HA LYS 7 -7.255 -5.415 -10.507 48 HB2 LYS 7 2HB LYS 7 -6.004 -6.931 -12.074 49 HB3 LYS 7 3HB LYS 7 -6.893 -8.284 -11.386 50 HG2 LYS 7 2HG LYS 7 -8.988 -6.884 -12.034 51 HG3 LYS 7 3HG LYS 7 -7.868 -6.064 -13.124 52 HD2 LYS 7 2HD LYS 7 -7.245 -8.620 -13.671 53 HD3 LYS 7 3HD LYS 7 -8.937 -8.820 -13.212 54 HE2 LYS 7 2HE LYS 7 -9.353 -6.833 -14.817 55 HE3 LYS 7 3HE LYS 7 -7.760 -7.226 -15.460 56 HZ1 LYS 7 1HZ LYS 7 -10.223 -8.842 -15.510 57 HZ2 LYS 7 2HZ LYS 7 -8.711 -9.594 -15.622 58 HZ3 LYS 7 3HZ LYS 7 -9.176 -8.454 -16.782 59 H VAL 8 HN VAL 8 -7.077 -8.252 -8.499 60 HA VAL 8 HA VAL 8 -9.856 -7.834 -7.706 61 HB VAL 8 HB VAL 8 -9.674 -10.595 -7.690 62 HG11 VAL 8 1HG1 VAL 8 -10.933 -9.186 -9.999 63 HG12 VAL 8 2HG1 VAL 8 -11.556 -10.510 -9.012 64 HG13 VAL 8 3HG1 VAL 8 -11.518 -8.869 -8.367 65 HG21 VAL 8 1HG2 VAL 8 -9.146 -11.123 -10.083 66 HG22 VAL 8 2HG2 VAL 8 -8.460 -9.504 -10.223 67 HG23 VAL 8 3HG2 VAL 8 -7.753 -10.668 -9.101 68 HA PRO 9 HA PRO 9 -8.492 -8.764 -3.641 69 HB2 PRO 9 2HB PRO 9 -10.502 -10.281 -2.626 70 HB3 PRO 9 3HB PRO 9 -10.669 -8.549 -2.935 71 HG2 PRO 9 2HG PRO 9 -11.575 -10.866 -4.600 72 HG3 PRO 9 3HG PRO 9 -12.430 -9.361 -4.217 73 HD2 PRO 9 2HD PRO 9 -11.170 -9.759 -6.580 74 HD3 PRO 9 3HD PRO 9 -11.293 -8.159 -5.822 75 HA PRO 10 HA PRO 10 -6.349 -12.649 -3.953 76 HB2 PRO 10 2HB PRO 10 -5.039 -12.473 -1.582 77 HB3 PRO 10 3HB PRO 10 -4.560 -11.555 -3.014 78 HG2 PRO 10 2HG PRO 10 -6.172 -10.675 -0.650 79 HG3 PRO 10 3HG PRO 10 -4.877 -9.816 -1.503 80 HD2 PRO 10 2HD PRO 10 -7.499 -9.282 -1.919 81 HD3 PRO 10 3HD PRO 10 -6.279 -9.128 -3.198 82 H ASP 11 HN ASP 11 -5.709 -14.235 -1.837 83 HA ASP 11 HA ASP 11 -8.262 -14.859 -0.518 84 HB2 ASP 11 2HB ASP 11 -7.646 -16.292 -2.615 85 HB3 ASP 11 3HB ASP 11 -6.499 -17.067 -1.525 86 H GLU 12 HN GLU 12 -6.307 -13.470 0.760 87 HA GLU 12 HA GLU 12 -5.122 -15.482 2.558 88 HB2 GLU 12 2HB GLU 12 -4.032 -12.836 1.623 89 HB3 GLU 12 3HB GLU 12 -3.434 -13.622 3.078 90 HG2 GLU 12 2HG GLU 12 -1.990 -14.678 1.773 91 HG3 GLU 12 3HG GLU 12 -3.355 -15.621 1.175 92 H ASP 13 HN ASP 13 -4.914 -12.098 3.228 93 HA ASP 13 HA ASP 13 -7.154 -11.363 4.504 94 HB2 ASP 13 2HB ASP 13 -5.881 -13.571 5.968 95 HB3 ASP 13 3HB ASP 13 -6.252 -12.167 6.965 96 H CYS 14 HN CYS 14 -6.913 -9.526 5.813 97 HA CYS 14 HA CYS 14 -4.515 -8.076 5.416 98 HB2 CYS 14 2HB CYS 14 -6.744 -7.016 5.617 99 HB3 CYS 14 3HB CYS 14 -6.793 -7.476 7.316 100 H ILE 15 HN ILE 15 -2.970 -7.363 6.911 101 HA ILE 15 HA ILE 15 -2.580 -9.195 9.160 102 HB ILE 15 HB ILE 15 -0.436 -7.283 8.685 103 HG12 ILE 15 2HG1 ILE 15 -1.372 -9.061 6.434 104 HG13 ILE 15 3HG1 ILE 15 -1.060 -7.329 6.387 105 HG21 ILE 15 1HG2 ILE 15 -0.505 -9.515 9.984 106 HG22 ILE 15 2HG2 ILE 15 -0.274 -10.257 8.401 107 HG23 ILE 15 3HG2 ILE 15 0.928 -9.129 9.030 108 HD11 ILE 15 1HD1 ILE 15 1.107 -9.328 6.928 109 HD12 ILE 15 2HD1 ILE 15 0.652 -8.835 5.297 110 HD13 ILE 15 3HD1 ILE 15 1.263 -7.640 6.442 111 H ILE 16 HN ILE 16 -3.344 -5.911 8.451 112 HA ILE 16 HA ILE 16 -2.559 -4.836 10.993 113 HB ILE 16 HB ILE 16 -4.542 -3.601 9.091 114 HG12 ILE 16 2HG1 ILE 16 -2.023 -4.380 8.336 115 HG13 ILE 16 3HG1 ILE 16 -2.931 -3.060 7.609 116 HG21 ILE 16 1HG2 ILE 16 -4.511 -2.368 11.065 117 HG22 ILE 16 2HG2 ILE 16 -2.778 -2.591 11.291 118 HG23 ILE 16 3HG2 ILE 16 -3.370 -1.511 10.029 119 HD11 ILE 16 1HD1 ILE 16 -1.233 -2.523 9.994 120 HD12 ILE 16 2HD1 ILE 16 -0.484 -2.697 8.407 121 HD13 ILE 16 3HD1 ILE 16 -1.699 -1.448 8.677 122 H CYS 17 HN CYS 17 -5.809 -4.942 9.535 123 HA CYS 17 HA CYS 17 -7.039 -4.945 12.138 124 HB2 CYS 17 2HB CYS 17 -9.165 -5.004 10.861 125 HB3 CYS 17 3HB CYS 17 -8.097 -3.705 10.341 126 H MET 18 HN MET 18 -5.740 -7.317 10.183 127 HA MET 18 HA MET 18 -5.782 -9.589 10.221 128 HB2 MET 18 2HB MET 18 -6.536 -8.754 12.892 129 HB3 MET 18 3HB MET 18 -7.291 -10.285 12.469 130 HG2 MET 18 2HG MET 18 -4.355 -9.640 12.481 131 HG3 MET 18 3HG MET 18 -5.220 -10.735 13.557 132 HE1 MET 18 1HE MET 18 -4.135 -13.389 12.937 133 HE2 MET 18 2HE MET 18 -2.959 -13.125 11.650 134 HE3 MET 18 3HE MET 18 -3.083 -11.973 12.981 135 H GLU 19 HN GLU 19 -8.199 -7.847 9.338 136 HA GLU 19 HA GLU 19 -10.359 -9.786 9.484 137 HB2 GLU 19 2HB GLU 19 -10.297 -7.155 8.001 138 HB3 GLU 19 3HB GLU 19 -11.718 -8.106 8.412 139 HG2 GLU 19 2HG GLU 19 -9.951 -7.155 10.606 140 HG3 GLU 19 3HG GLU 19 -11.033 -6.006 9.820 141 H LYS 20 HN LYS 20 -11.634 -9.812 7.206 142 HA LYS 20 HA LYS 20 -9.998 -11.400 5.496 143 HB2 LYS 20 2HB LYS 20 -12.794 -10.324 5.085 144 HB3 LYS 20 3HB LYS 20 -12.020 -11.537 4.074 145 HG2 LYS 20 2HG LYS 20 -11.778 -12.542 6.645 146 HG3 LYS 20 3HG LYS 20 -13.394 -11.833 6.600 147 HD2 LYS 20 2HD LYS 20 -13.727 -14.022 5.860 148 HD3 LYS 20 3HD LYS 20 -13.654 -13.083 4.367 149 HE2 LYS 20 2HE LYS 20 -11.016 -13.758 4.863 150 HE3 LYS 20 3HE LYS 20 -11.914 -15.203 5.321 151 HZ1 LYS 20 1HZ LYS 20 -12.362 -13.822 2.743 152 HZ2 LYS 20 2HZ LYS 20 -12.825 -15.388 3.184 153 HZ3 LYS 20 3HZ LYS 20 -11.192 -15.031 2.923 154 H LEU 21 HN LEU 21 -8.948 -10.883 3.667 155 HA LEU 21 HA LEU 21 -8.412 -8.192 3.034 156 HB2 LEU 21 2HB LEU 21 -7.681 -10.831 1.996 157 HB3 LEU 21 3HB LEU 21 -7.698 -9.558 0.778 158 HG LEU 21 HG LEU 21 -6.055 -9.599 3.310 159 HD11 LEU 21 1HD1 LEU 21 -4.206 -10.058 1.996 160 HD12 LEU 21 2HD1 LEU 21 -5.002 -9.540 0.510 161 HD13 LEU 21 3HD1 LEU 21 -5.454 -11.069 1.267 162 HD21 LEU 21 1HD2 LEU 21 -6.736 -7.455 1.400 163 HD22 LEU 21 2HD2 LEU 21 -5.033 -7.592 1.840 164 HD23 LEU 21 3HD2 LEU 21 -6.253 -7.360 3.094 165 H SER 22 HN SER 22 -11.113 -10.029 2.380 166 HA SER 22 HA SER 22 -11.741 -8.579 -0.094 167 HB2 SER 22 2HB SER 22 -12.198 -10.826 -0.493 168 HB3 SER 22 3HB SER 22 -12.775 -11.106 1.149 169 HG SER 22 HG SER 22 -14.148 -10.307 -1.065 170 H THR 23 HN THR 23 -12.558 -8.822 3.251 171 HA THR 23 HA THR 23 -15.101 -7.500 3.047 172 HB THR 23 HB THR 23 -14.925 -7.315 5.539 173 HG1 THR 23 1HG THR 23 -12.546 -7.306 5.498 174 HG21 THR 23 1HG2 THR 23 -16.063 -9.222 4.781 175 HG22 THR 23 2HG2 THR 23 -14.852 -9.857 5.897 176 HG23 THR 23 3HG2 THR 23 -14.589 -9.961 4.156 177 H ALA 24 HN ALA 24 -12.223 -6.339 2.327 178 HA ALA 24 HA ALA 24 -11.548 -4.172 1.969 179 HB1 ALA 24 1HB ALA 24 -13.619 -3.091 3.829 180 HB2 ALA 24 2HB ALA 24 -12.940 -2.378 2.365 181 HB3 ALA 24 3HB ALA 24 -14.095 -3.704 2.245 182 H SER 25 HN SER 25 -11.002 -2.127 3.525 183 HA SER 25 HA SER 25 -9.250 -3.253 5.520 184 HB2 SER 25 2HB SER 25 -8.194 -1.155 5.580 185 HB3 SER 25 3HB SER 25 -8.736 -1.296 3.908 186 HG SER 25 HG SER 25 -9.973 0.161 6.004 187 H GLY 26 HN GLY 26 -9.906 -3.671 7.517 188 HA2 GLY 26 1HA GLY 26 -12.326 -2.886 8.646 189 HA3 GLY 26 2HA GLY 26 -10.938 -3.461 9.557 190 H TYR 27 HN TYR 27 -9.406 -1.099 8.337 191 HA TYR 27 HA TYR 27 -9.828 0.669 10.541 192 HB2 TYR 27 2HB TYR 27 -7.984 0.581 8.195 193 HB3 TYR 27 3HB TYR 27 -8.177 2.107 9.050 194 HD1 TYR 27 1HD TYR 27 -8.600 -0.807 11.102 195 HD2 TYR 27 2HD TYR 27 -5.693 1.851 9.492 196 HE1 TYR 27 1HE TYR 27 -6.983 -1.557 12.797 197 HE2 TYR 27 2HE TYR 27 -4.069 1.107 11.182 198 HH TYR 27 HH TYR 27 -4.419 -0.004 13.706 199 H SER 28 HN SER 28 -11.194 0.387 7.441 200 HA SER 28 HA SER 28 -11.701 2.964 6.630 201 HB2 SER 28 2HB SER 28 -13.747 2.071 5.553 202 HB3 SER 28 3HB SER 28 -12.351 1.026 5.297 203 HG SER 28 HG SER 28 -13.550 -0.483 6.117 204 H ASP 29 HN ASP 29 -12.963 1.291 9.371 205 HA ASP 29 HA ASP 29 -15.175 3.108 9.773 206 HB2 ASP 29 2HB ASP 29 -14.118 0.685 11.138 207 HB3 ASP 29 3HB ASP 29 -15.058 1.815 12.109 208 H VAL 30 HN VAL 30 -11.869 2.806 10.778 209 HA VAL 30 HA VAL 30 -12.214 4.960 12.745 210 HB VAL 30 HB VAL 30 -10.037 2.927 12.334 211 HG11 VAL 30 1HG1 VAL 30 -9.034 4.215 14.393 212 HG12 VAL 30 2HG1 VAL 30 -8.666 4.721 12.743 213 HG13 VAL 30 3HG1 VAL 30 -9.888 5.582 13.677 214 HG21 VAL 30 1HG2 VAL 30 -12.154 2.544 13.745 215 HG22 VAL 30 2HG2 VAL 30 -10.591 2.159 14.466 216 HG23 VAL 30 3HG2 VAL 30 -11.415 3.659 14.895 217 H THR 31 HN THR 31 -9.360 4.117 10.836 218 HA THR 31 HA THR 31 -8.350 6.617 10.468 219 HB THR 31 HB THR 31 -7.211 5.804 8.455 220 HG1 THR 31 1HG THR 31 -9.379 4.244 8.265 221 HG21 THR 31 1HG2 THR 31 -6.332 5.106 10.613 222 HG22 THR 31 2HG2 THR 31 -6.142 3.807 9.434 223 HG23 THR 31 3HG2 THR 31 -7.430 3.726 10.636 224 H ASP 32 HN ASP 32 -9.600 8.327 9.954 225 HA ASP 32 HA ASP 32 -11.637 8.196 7.935 226 HB2 ASP 32 2HB ASP 32 -11.381 9.746 10.090 227 HB3 ASP 32 3HB ASP 32 -10.624 10.818 8.916 228 H SER 33 HN SER 33 -9.558 7.350 6.588 229 HA SER 33 HA SER 33 -8.278 9.600 5.234 230 HB2 SER 33 2HB SER 33 -7.778 6.746 4.480 231 HB3 SER 33 3HB SER 33 -6.665 8.115 4.481 232 HG SER 33 HG SER 33 -6.837 8.030 6.828 233 H LYS 34 HN LYS 34 -8.934 10.346 3.328 234 HA LYS 34 HA LYS 34 -10.785 8.689 1.741 235 HB2 LYS 34 2HB LYS 34 -11.480 11.113 0.905 236 HB3 LYS 34 3HB LYS 34 -12.204 10.381 2.331 237 HG2 LYS 34 2HG LYS 34 -11.678 12.591 2.930 238 HG3 LYS 34 3HG LYS 34 -10.443 11.581 3.686 239 HD2 LYS 34 2HD LYS 34 -8.973 12.071 1.709 240 HD3 LYS 34 3HD LYS 34 -10.182 13.247 1.188 241 HE2 LYS 34 2HE LYS 34 -8.624 13.275 3.769 242 HE3 LYS 34 3HE LYS 34 -8.420 14.370 2.402 243 HZ1 LYS 34 1HZ LYS 34 -9.738 15.620 3.758 244 HZ2 LYS 34 2HZ LYS 34 -10.547 14.288 4.418 245 HZ3 LYS 34 3HZ LYS 34 -10.938 14.831 2.863 246 H ALA 35 HN ALA 35 -7.877 8.823 1.552 247 HA ALA 35 HA ALA 35 -7.607 10.009 -1.133 248 HB1 ALA 35 1HB ALA 35 -5.242 9.384 0.582 249 HB2 ALA 35 2HB ALA 35 -5.411 10.577 -0.706 250 HB3 ALA 35 3HB ALA 35 -6.170 10.859 0.861 251 H LEU 36 HN LEU 36 -7.028 7.196 0.880 252 HA LEU 36 HA LEU 36 -5.772 5.718 -1.272 253 HB2 LEU 36 2HB LEU 36 -6.669 4.806 1.458 254 HB3 LEU 36 3HB LEU 36 -5.681 3.878 0.330 255 HG LEU 36 HG LEU 36 -4.257 6.227 0.679 256 HD11 LEU 36 1HD1 LEU 36 -4.696 5.387 3.458 257 HD12 LEU 36 2HD1 LEU 36 -6.022 6.291 2.729 258 HD13 LEU 36 3HD1 LEU 36 -4.405 6.991 2.785 259 HD21 LEU 36 1HD2 LEU 36 -3.647 3.692 0.631 260 HD22 LEU 36 2HD2 LEU 36 -3.742 3.832 2.388 261 HD23 LEU 36 3HD2 LEU 36 -2.607 4.835 1.482 262 H GLY 37 HN GLY 37 -8.564 4.950 0.817 263 HA2 GLY 37 1HA GLY 37 -10.663 4.771 -0.763 264 HA3 GLY 37 2HA GLY 37 -9.726 3.424 -1.393 265 H SER 38 HN SER 38 -8.630 2.598 1.125 266 HA SER 38 HA SER 38 -9.098 1.257 2.904 267 HB2 SER 38 2HB SER 38 -10.754 1.907 4.364 268 HB3 SER 38 3HB SER 38 -10.649 3.364 3.378 269 HG SER 38 HG SER 38 -12.812 2.279 3.798 270 H LEU 39 HN LEU 39 -10.052 0.768 -0.010 271 HA LEU 39 HA LEU 39 -11.269 -1.802 0.582 272 HB2 LEU 39 2HB LEU 39 -12.625 0.394 -0.921 273 HB3 LEU 39 3HB LEU 39 -12.919 -1.283 -1.376 274 HG LEU 39 HG LEU 39 -13.261 -0.611 1.486 275 HD11 LEU 39 1HD1 LEU 39 -15.365 0.172 -0.515 276 HD12 LEU 39 2HD1 LEU 39 -14.242 1.325 0.207 277 HD13 LEU 39 3HD1 LEU 39 -15.369 0.432 1.230 278 HD21 LEU 39 1HD2 LEU 39 -13.637 -2.864 0.489 279 HD22 LEU 39 2HD2 LEU 39 -14.971 -2.177 -0.438 280 HD23 LEU 39 3HD2 LEU 39 -15.042 -2.201 1.324 281 H ALA 40 HN ALA 40 -8.761 -1.588 -0.217 282 HA ALA 40 HA ALA 40 -8.827 -2.731 -2.885 283 HB1 ALA 40 1HB ALA 40 -6.892 -1.285 -3.608 284 HB2 ALA 40 2HB ALA 40 -8.456 -0.477 -3.506 285 HB3 ALA 40 3HB ALA 40 -7.261 -0.247 -2.231 286 H VAL 41 HN VAL 41 -6.889 -3.899 -3.425 287 HA VAL 41 HA VAL 41 -5.197 -4.515 -1.090 288 HB VAL 41 HB VAL 41 -6.046 -6.517 -3.184 289 HG11 VAL 41 1HG1 VAL 41 -5.167 -7.494 -0.590 290 HG12 VAL 41 2HG1 VAL 41 -4.646 -7.958 -2.212 291 HG13 VAL 41 3HG1 VAL 41 -3.925 -6.557 -1.419 292 HG21 VAL 41 1HG2 VAL 41 -7.754 -7.269 -1.840 293 HG22 VAL 41 2HG2 VAL 41 -7.049 -6.586 -0.374 294 HG23 VAL 41 3HG2 VAL 41 -7.839 -5.532 -1.547 295 H GLY 42 HN GLY 42 -3.058 -4.423 -1.408 296 HA2 GLY 42 1HA GLY 42 -1.935 -4.797 -4.064 297 HA3 GLY 42 2HA GLY 42 -1.761 -3.182 -3.392 298 H HIS 43 HN HIS 43 0.134 -5.499 -4.038 299 HA HIS 43 HA HIS 43 1.328 -5.932 -1.405 300 HB2 HIS 43 2HB HIS 43 2.767 -7.555 -2.521 301 HB3 HIS 43 3HB HIS 43 1.079 -7.870 -2.912 302 HD1 HIS 43 1HD HIS 43 0.467 -7.929 -5.340 303 HD2 HIS 43 2HD HIS 43 4.235 -6.303 -4.689 304 HE1 HIS 43 1HE HIS 43 1.482 -7.646 -7.623 305 H LEU 44 HN LEU 44 2.764 -4.514 -0.690 306 HA LEU 44 HA LEU 44 3.809 -2.340 -1.865 307 HB2 LEU 44 2HB LEU 44 4.196 -3.471 0.506 308 HB3 LEU 44 3HB LEU 44 5.732 -3.911 -0.236 309 HG LEU 44 HG LEU 44 6.264 -1.569 -0.586 310 HD11 LEU 44 1HD1 LEU 44 3.434 -1.237 0.023 311 HD12 LEU 44 2HD1 LEU 44 4.534 -0.186 -0.868 312 HD13 LEU 44 3HD1 LEU 44 4.475 -0.111 0.894 313 HD21 LEU 44 1HD2 LEU 44 6.985 -1.241 1.527 314 HD22 LEU 44 2HD2 LEU 44 6.367 -2.877 1.763 315 HD23 LEU 44 3HD2 LEU 44 5.385 -1.487 2.227 316 H THR 45 HN THR 45 5.260 -1.815 -3.387 317 HA THR 45 HA THR 45 6.350 -3.878 -5.049 318 HB THR 45 HB THR 45 6.672 -2.268 -6.595 319 HG1 THR 45 1HG THR 45 7.652 -0.244 -6.084 320 HG21 THR 45 1HG2 THR 45 5.113 -0.516 -6.473 321 HG22 THR 45 2HG2 THR 45 5.265 -0.387 -4.721 322 HG23 THR 45 3HG2 THR 45 4.442 -1.772 -5.434 323 H LYS 46 HN LYS 46 7.329 -2.860 -2.136 324 HA LYS 46 HA LYS 46 10.187 -2.761 -2.722 325 HB2 LYS 46 2HB LYS 46 8.505 -2.170 -0.317 326 HB3 LYS 46 3HB LYS 46 10.214 -2.522 -0.106 327 HG2 LYS 46 2HG LYS 46 9.818 -0.595 -2.209 328 HG3 LYS 46 3HG LYS 46 9.060 -0.064 -0.708 329 HD2 LYS 46 2HD LYS 46 11.731 -1.210 -0.357 330 HD3 LYS 46 3HD LYS 46 11.700 0.254 -1.342 331 HE2 LYS 46 2HE LYS 46 10.459 -0.020 1.394 332 HE3 LYS 46 3HE LYS 46 12.033 0.706 1.069 333 HZ1 LYS 46 1HZ LYS 46 10.638 2.170 -0.552 334 HZ2 LYS 46 2HZ LYS 46 10.693 2.539 1.098 335 HZ3 LYS 46 3HZ LYS 46 9.353 1.731 0.457 336 H CYS 47 HN CYS 47 7.881 -4.691 -0.833 337 HA CYS 47 HA CYS 47 9.898 -6.839 -0.724 338 HB2 CYS 47 2HB CYS 47 8.589 -7.664 1.268 339 HB3 CYS 47 3HB CYS 47 9.419 -6.130 1.508 340 H SER 48 HN SER 48 6.844 -5.897 -1.889 341 HA SER 48 HA SER 48 5.223 -6.958 -3.082 342 HB2 SER 48 2HB SER 48 6.340 -9.425 -3.810 343 HB3 SER 48 3HB SER 48 6.325 -7.944 -4.768 344 HG SER 48 HG SER 48 8.437 -9.089 -4.112 345 H HIS 49 HN HIS 49 4.200 -7.162 -0.912 346 HA HIS 49 HA HIS 49 3.917 -9.995 -0.146 347 HB2 HIS 49 2HB HIS 49 3.740 -7.497 1.540 348 HB3 HIS 49 3HB HIS 49 3.168 -9.067 2.095 349 HD2 HIS 49 2HD HIS 49 6.479 -9.192 0.134 350 HE1 HIS 49 1HE HIS 49 7.425 -9.442 4.262 351 HE2 HIS 49 2HE HIS 49 8.322 -9.560 1.911 352 H ALA 50 HN ALA 50 1.843 -7.631 1.241 353 HA ALA 50 HA ALA 50 -0.211 -7.203 -0.427 354 HB1 ALA 50 1HB ALA 50 -1.729 -9.253 0.168 355 HB2 ALA 50 2HB ALA 50 -0.594 -9.337 -1.180 356 HB3 ALA 50 3HB ALA 50 -0.181 -10.075 0.368 357 H PHE 51 HN PHE 51 -1.665 -6.011 0.642 358 HA PHE 51 HA PHE 51 -2.797 -6.632 3.130 359 HB2 PHE 51 2HB PHE 51 -1.416 -4.325 3.964 360 HB3 PHE 51 3HB PHE 51 -1.251 -5.959 4.597 361 HD1 PHE 51 1HD PHE 51 0.797 -7.011 4.491 362 HD2 PHE 51 2HD PHE 51 -0.018 -3.785 1.837 363 HE1 PHE 51 1HE PHE 51 3.122 -7.087 3.690 364 HE2 PHE 51 2HE PHE 51 2.305 -3.856 1.031 365 HZ PHE 51 HZ PHE 51 3.879 -5.510 1.956 366 H HIS 52 HN HIS 52 -3.942 -4.666 4.093 367 HA HIS 52 HA HIS 52 -5.351 -3.356 1.974 368 HB2 HIS 52 2HB HIS 52 -5.527 -3.239 4.979 369 HB3 HIS 52 3HB HIS 52 -6.496 -2.181 3.955 370 HD2 HIS 52 2HD HIS 52 -7.221 -4.618 1.729 371 HE1 HIS 52 1HE HIS 52 -9.132 -6.330 5.108 372 HE2 HIS 52 2HE HIS 52 -8.877 -6.402 2.603 373 H LEU 53 HN LEU 53 -4.214 -1.846 0.884 374 HA LEU 53 HA LEU 53 -2.175 -0.253 1.549 375 HB2 LEU 53 2HB LEU 53 -4.617 0.716 0.071 376 HB3 LEU 53 3HB LEU 53 -3.010 1.435 -0.001 377 HG LEU 53 HG LEU 53 -3.291 -1.416 -0.795 378 HD11 LEU 53 1HD1 LEU 53 -5.131 -0.642 -2.006 379 HD12 LEU 53 2HD1 LEU 53 -3.789 -0.543 -3.146 380 HD13 LEU 53 3HD1 LEU 53 -4.373 0.915 -2.342 381 HD21 LEU 53 1HD2 LEU 53 -1.745 -0.194 -2.633 382 HD22 LEU 53 2HD2 LEU 53 -1.132 -0.858 -1.119 383 HD23 LEU 53 3HD2 LEU 53 -1.483 0.866 -1.247 384 H LEU 54 HN LEU 54 -5.568 0.533 2.274 385 HA LEU 54 HA LEU 54 -5.147 2.982 3.529 386 HB2 LEU 54 2HB LEU 54 -7.354 2.257 2.930 387 HB3 LEU 54 3HB LEU 54 -7.242 0.872 4.014 388 HG LEU 54 HG LEU 54 -8.683 2.841 4.755 389 HD11 LEU 54 1HD1 LEU 54 -6.644 2.350 6.844 390 HD12 LEU 54 2HD1 LEU 54 -7.440 0.939 6.146 391 HD13 LEU 54 3HD1 LEU 54 -8.400 2.204 6.912 392 HD21 LEU 54 1HD2 LEU 54 -6.942 4.536 4.082 393 HD22 LEU 54 2HD2 LEU 54 -6.022 4.035 5.502 394 HD23 LEU 54 3HD2 LEU 54 -7.628 4.743 5.693 395 H CYS 55 HN CYS 55 -5.910 -0.028 5.281 396 HA CYS 55 HA CYS 55 -5.353 0.622 7.811 397 HB2 CYS 55 2HB CYS 55 -4.597 -1.892 6.331 398 HB3 CYS 55 3HB CYS 55 -4.341 -1.726 8.064 399 H LEU 56 HN LEU 56 -2.865 -0.212 5.418 400 HA LEU 56 HA LEU 56 -0.644 0.014 7.108 401 HB2 LEU 56 2HB LEU 56 -0.697 0.683 4.174 402 HB3 LEU 56 3HB LEU 56 0.684 0.141 5.126 403 HG LEU 56 HG LEU 56 -1.609 -1.439 4.040 404 HD11 LEU 56 1HD1 LEU 56 0.041 -1.960 2.638 405 HD12 LEU 56 2HD1 LEU 56 0.712 -2.913 3.960 406 HD13 LEU 56 3HD1 LEU 56 1.271 -1.263 3.691 407 HD21 LEU 56 1HD2 LEU 56 -0.423 -3.277 5.575 408 HD22 LEU 56 2HD2 LEU 56 -1.833 -2.356 6.098 409 HD23 LEU 56 3HD2 LEU 56 -0.219 -1.867 6.614 410 H LEU 57 HN LEU 57 -1.929 2.408 4.795 411 HA LEU 57 HA LEU 57 -0.265 4.513 5.282 412 HB2 LEU 57 2HB LEU 57 -2.082 4.491 3.618 413 HB3 LEU 57 3HB LEU 57 -3.254 4.689 4.920 414 HG LEU 57 HG LEU 57 -2.549 6.741 3.501 415 HD11 LEU 57 1HD1 LEU 57 -3.049 6.473 6.394 416 HD12 LEU 57 2HD1 LEU 57 -3.928 7.382 5.166 417 HD13 LEU 57 3HD1 LEU 57 -2.441 8.037 5.850 418 HD21 LEU 57 1HD2 LEU 57 -0.635 7.958 4.498 419 HD22 LEU 57 2HD2 LEU 57 -0.161 6.485 3.653 420 HD23 LEU 57 3HD2 LEU 57 -0.231 6.507 5.416 421 H ALA 58 HN ALA 58 -2.518 3.116 7.456 422 HA ALA 58 HA ALA 58 -2.841 5.390 9.166 423 HB1 ALA 58 1HB ALA 58 -4.308 4.118 10.303 424 HB2 ALA 58 2HB ALA 58 -4.192 3.065 8.893 425 HB3 ALA 58 3HB ALA 58 -3.235 2.719 10.333 426 H MET 59 HN MET 59 -1.268 2.251 9.821 427 HA MET 59 HA MET 59 0.275 3.358 11.964 428 HB2 MET 59 2HB MET 59 1.410 1.064 11.855 429 HB3 MET 59 3HB MET 59 -0.303 1.100 12.252 430 HG2 MET 59 2HG MET 59 -0.902 0.030 10.371 431 HG3 MET 59 3HG MET 59 0.321 0.841 9.393 432 HE1 MET 59 1HE MET 59 2.448 -0.665 8.440 433 HE2 MET 59 2HE MET 59 2.823 0.433 9.767 434 HE3 MET 59 3HE MET 59 3.462 -1.211 9.776 435 H TYR 60 HN TYR 60 0.612 3.445 8.647 436 HA TYR 60 HA TYR 60 3.331 3.025 8.206 437 HB2 TYR 60 2HB TYR 60 2.629 3.474 6.133 438 HB3 TYR 60 3HB TYR 60 1.119 4.123 6.761 439 HD1 TYR 60 1HD TYR 60 1.246 6.590 7.653 440 HD2 TYR 60 2HD TYR 60 4.047 4.872 4.952 441 HE1 TYR 60 1HE TYR 60 1.900 8.841 6.909 442 HE2 TYR 60 2HE TYR 60 4.711 7.118 4.200 443 HH TYR 60 HH TYR 60 3.265 10.033 5.625 444 H CYS 61 HN CYS 61 1.685 5.636 9.768 445 HA CYS 61 HA CYS 61 3.589 7.673 9.490 446 HB2 CYS 61 2HB CYS 61 2.079 8.810 10.685 447 HB3 CYS 61 3HB CYS 61 1.156 7.320 10.848 448 HG CYS 61 HG CYS 61 1.345 8.468 13.368 449 H ASN 62 HN ASN 62 3.886 4.710 11.003 450 HA ASN 62 HA ASN 62 5.710 5.595 13.082 451 HB2 ASN 62 2HB ASN 62 4.043 3.382 12.778 452 HB3 ASN 62 3HB ASN 62 5.669 2.729 12.599 453 HD21 ASN 62 1HD2 ASN 62 3.779 4.892 14.670 454 HD22 ASN 62 2HD2 ASN 62 4.540 4.423 16.148 455 H GLY 63 HN GLY 63 5.881 3.444 10.239 456 HA2 GLY 63 1HA GLY 63 8.709 4.232 9.951 457 HA3 GLY 63 2HA GLY 63 8.249 2.537 9.887 458 H ASN 64 HN ASN 64 9.435 2.882 7.762 459 HA ASN 64 HA ASN 64 9.298 2.784 5.489 460 HB2 ASN 64 2HB ASN 64 6.964 1.815 6.115 461 HB3 ASN 64 3HB ASN 64 6.358 3.386 5.597 462 HD21 ASN 64 1HD2 ASN 64 7.081 0.312 4.622 463 HD22 ASN 64 2HD2 ASN 64 7.169 0.575 2.916 464 H LYS 65 HN LYS 65 6.747 5.140 6.293 465 HA LYS 65 HA LYS 65 6.361 7.203 5.317 466 HB2 LYS 65 2HB LYS 65 9.017 7.355 6.720 467 HB3 LYS 65 3HB LYS 65 8.296 8.781 5.985 468 HG2 LYS 65 2HG LYS 65 6.847 7.089 8.000 469 HG3 LYS 65 3HG LYS 65 7.878 8.449 8.451 470 HD2 LYS 65 2HD LYS 65 5.918 9.044 6.350 471 HD3 LYS 65 3HD LYS 65 5.214 8.625 7.913 472 HE2 LYS 65 2HE LYS 65 6.283 10.404 8.998 473 HE3 LYS 65 3HE LYS 65 7.432 10.632 7.679 474 HZ1 LYS 65 1HZ LYS 65 5.939 12.360 7.405 475 HZ2 LYS 65 2HZ LYS 65 4.593 11.420 7.809 476 HZ3 LYS 65 3HZ LYS 65 5.355 11.205 6.315 477 H ASP 66 HN ASP 66 6.330 6.722 3.096 478 HA ASP 66 HA ASP 66 8.389 8.036 1.589 479 HB2 ASP 66 2HB ASP 66 8.137 5.049 1.555 480 HB3 ASP 66 3HB ASP 66 8.629 5.902 0.096 481 H GLY 67 HN GLY 67 5.966 8.946 1.667 482 HA2 GLY 67 1HA GLY 67 4.002 9.352 0.527 483 HA3 GLY 67 2HA GLY 67 5.029 9.142 -0.884 484 H SER 68 HN SER 68 3.755 6.884 1.561 485 HA SER 68 HA SER 68 1.951 5.630 -0.243 486 HB2 SER 68 2HB SER 68 4.590 4.256 0.291 487 HB3 SER 68 3HB SER 68 3.160 3.411 -0.300 488 HG SER 68 HG SER 68 4.747 4.245 -1.905 489 H LEU 69 HN LEU 69 3.771 3.567 1.848 490 HA LEU 69 HA LEU 69 2.378 4.033 4.260 491 HB2 LEU 69 2HB LEU 69 1.058 1.888 4.229 492 HB3 LEU 69 3HB LEU 69 0.434 3.201 3.234 493 HG LEU 69 HG LEU 69 0.494 0.727 2.350 494 HD11 LEU 69 1HD1 LEU 69 -0.234 2.816 1.163 495 HD12 LEU 69 2HD1 LEU 69 0.444 1.560 0.128 496 HD13 LEU 69 3HD1 LEU 69 1.417 2.965 0.562 497 HD21 LEU 69 1HD2 LEU 69 3.282 1.732 1.809 498 HD22 LEU 69 2HD2 LEU 69 2.529 0.400 0.932 499 HD23 LEU 69 3HD2 LEU 69 2.812 0.265 2.668 500 H GLN 70 HN GLN 70 2.416 1.692 5.532 501 HA GLN 70 HA GLN 70 5.183 0.738 5.191 502 HB2 GLN 70 2HB GLN 70 5.015 1.953 7.247 503 HB3 GLN 70 3HB GLN 70 3.539 1.108 7.694 504 HG2 GLN 70 2HG GLN 70 5.314 0.220 8.997 505 HG3 GLN 70 3HG GLN 70 4.859 -0.998 7.806 506 HE21 GLN 70 1HE2 GLN 70 7.405 0.398 9.277 507 HE22 GLN 70 2HE2 GLN 70 8.625 0.141 8.083 508 H CYS 71 HN CYS 71 5.605 -1.484 5.810 509 HA CYS 71 HA CYS 71 3.350 -3.215 5.110 510 HB2 CYS 71 2HB CYS 71 5.334 -3.509 3.748 511 HB3 CYS 71 3HB CYS 71 6.328 -3.738 5.183 512 HA PRO 72 HA PRO 72 3.116 -4.164 9.487 513 HB2 PRO 72 2HB PRO 72 0.869 -5.672 9.281 514 HB3 PRO 72 3HB PRO 72 0.843 -3.905 9.285 515 HG2 PRO 72 2HG PRO 72 0.701 -5.796 6.969 516 HG3 PRO 72 3HG PRO 72 -0.238 -4.322 7.268 517 HD2 PRO 72 2HD PRO 72 1.883 -4.383 5.585 518 HD3 PRO 72 3HD PRO 72 1.457 -2.943 6.533 519 H SER 73 HN SER 73 4.090 -6.006 6.951 520 HA SER 73 HA SER 73 4.059 -8.539 8.429 521 HB2 SER 73 2HB SER 73 3.624 -9.380 6.396 522 HB3 SER 73 3HB SER 73 3.956 -7.828 5.625 523 HG SER 73 HG SER 73 5.670 -9.995 6.094 524 H CYS 74 HN CYS 74 6.428 -7.060 6.222 525 HA CYS 74 HA CYS 74 8.534 -7.790 8.146 526 HB2 CYS 74 2HB CYS 74 10.055 -7.999 6.297 527 HB3 CYS 74 3HB CYS 74 8.604 -8.920 5.911 528 H LYS 75 HN LYS 75 6.944 -5.339 8.193 529 HA LYS 75 HA LYS 75 7.157 -3.036 8.068 530 HB2 LYS 75 2HB LYS 75 9.428 -4.164 9.649 531 HB3 LYS 75 3HB LYS 75 9.371 -2.428 9.372 532 HG2 LYS 75 2HG LYS 75 8.338 -2.818 11.456 533 HG3 LYS 75 3HG LYS 75 7.041 -2.461 10.314 534 HD2 LYS 75 2HD LYS 75 6.194 -4.563 10.414 535 HD3 LYS 75 3HD LYS 75 7.781 -5.308 10.624 536 HE2 LYS 75 2HE LYS 75 6.520 -3.668 12.798 537 HE3 LYS 75 3HE LYS 75 6.126 -5.374 12.593 538 HZ1 LYS 75 1HZ LYS 75 8.781 -5.474 12.543 539 HZ2 LYS 75 2HZ LYS 75 7.874 -5.632 13.962 540 HZ3 LYS 75 3HZ LYS 75 8.568 -4.142 13.564 541 H THR 76 HN THR 76 8.092 -4.265 5.651 542 HA THR 76 HA THR 76 10.605 -3.228 4.856 543 HB THR 76 HB THR 76 8.391 -4.638 3.571 544 HG1 THR 76 1HG THR 76 11.217 -4.515 3.292 545 HG21 THR 76 1HG2 THR 76 10.015 -2.696 1.922 546 HG22 THR 76 2HG2 THR 76 8.284 -2.582 2.241 547 HG23 THR 76 3HG2 THR 76 8.918 -3.924 1.289
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