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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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630346 |
6h0i ![]() ![]() |
34298 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -14.707 11.493 8.539 2 H2 MET 1 2HT MET 1 -15.154 9.977 9.137 3 H3 MET 1 3HT MET 1 -15.179 11.326 10.155 4 HA MET 1 HA MET 1 -17.402 10.707 9.471 5 HB2 MET 1 3HB MET 1 -16.372 13.300 8.304 6 HB3 MET 1 2HB MET 1 -18.073 12.919 8.513 7 HG2 MET 1 3HG MET 1 -17.731 12.747 10.930 8 HG3 MET 1 2HG MET 1 -16.031 13.158 10.709 9 HE1 MET 1 1HE MET 1 -17.533 16.382 12.367 10 HE2 MET 1 2HE MET 1 -16.293 15.133 12.481 11 HE3 MET 1 3HE MET 1 -17.992 14.710 12.689 12 H CYS 2 HN CYS 2 -18.912 10.347 7.835 13 HA CYS 2 HA CYS 2 -18.219 10.590 5.067 14 HB2 CYS 2 3HB CYS 2 -17.037 8.488 5.676 15 HB3 CYS 2 2HB CYS 2 -18.567 7.806 6.206 16 HG CYS 2 HG CYS 2 -17.280 8.015 3.155 17 H GLU 3 HN GLU 3 -20.088 11.823 5.047 18 HA GLU 3 HA GLU 3 -22.606 10.336 5.409 19 HB2 GLU 3 3HB GLU 3 -22.235 11.986 7.201 20 HB3 GLU 3 2HB GLU 3 -22.070 13.254 5.998 21 HG2 GLU 3 3HG GLU 3 -24.404 12.834 5.296 22 HG3 GLU 3 2HG GLU 3 -24.545 11.656 6.602 23 H PHE 4 HN PHE 4 -20.645 12.268 3.366 24 HA PHE 4 HA PHE 4 -22.636 12.281 1.256 25 HB2 PHE 4 3HB PHE 4 -22.471 14.795 0.961 26 HB3 PHE 4 2HB PHE 4 -23.435 14.246 2.325 27 HD1 PHE 4 1HD PHE 4 -20.248 15.810 1.334 28 HD2 PHE 4 2HD PHE 4 -22.821 14.777 4.561 29 HE1 PHE 4 1HE PHE 4 -18.941 17.255 2.834 30 HE2 PHE 4 2HE PHE 4 -21.516 16.218 6.066 31 HZ PHE 4 HZ PHE 4 -19.574 17.460 5.203 32 H ILE 5 HN ILE 5 -20.348 10.972 1.205 33 HA ILE 5 HA ILE 5 -18.694 12.489 -0.634 34 HB ILE 5 HB ILE 5 -16.533 11.697 0.463 35 HG12 ILE 5 3HG1 ILE 5 -18.290 11.679 2.940 36 HG13 ILE 5 2HG1 ILE 5 -17.514 10.262 2.233 37 HG21 ILE 5 1HG2 ILE 5 -17.177 14.005 0.217 38 HG22 ILE 5 2HG2 ILE 5 -16.392 13.747 1.776 39 HG23 ILE 5 3HG2 ILE 5 -18.145 13.919 1.688 40 HD11 ILE 5 1HD1 ILE 5 -16.114 12.656 3.388 41 HD12 ILE 5 2HD1 ILE 5 -15.333 11.241 2.683 42 HD13 ILE 5 3HD1 ILE 5 -16.292 11.078 4.154 43 H GLU 6 HN GLU 6 -18.147 9.392 1.039 44 HA GLU 6 HA GLU 6 -17.704 8.053 -1.442 45 HB2 GLU 6 3HB GLU 6 -18.232 7.016 1.345 46 HB3 GLU 6 2HB GLU 6 -18.075 5.940 -0.031 47 HG2 GLU 6 3HG GLU 6 -15.983 6.039 1.106 48 HG3 GLU 6 2HG GLU 6 -15.817 6.854 -0.446 49 H ASP 7 HN ASP 7 -20.388 9.296 -0.067 50 HA ASP 7 HA ASP 7 -22.303 7.315 -1.014 51 HB2 ASP 7 3HB ASP 7 -23.024 9.958 0.217 52 HB3 ASP 7 2HB ASP 7 -23.885 8.427 0.304 53 H SER 8 HN SER 8 -20.558 9.482 -2.548 54 HA SER 8 HA SER 8 -22.326 11.336 -3.690 55 HB2 SER 8 3HB SER 8 -20.516 11.574 -5.432 56 HB3 SER 8 2HB SER 8 -19.976 11.752 -3.762 57 HG SER 8 HG SER 8 -19.834 9.313 -5.209 58 H GLU 9 HN GLU 9 -22.383 8.040 -4.155 59 HA GLU 9 HA GLU 9 -22.905 7.966 -6.966 60 HB2 GLU 9 3HB GLU 9 -22.086 5.990 -5.706 61 HB3 GLU 9 2HB GLU 9 -23.620 5.929 -4.847 62 HG2 GLU 9 3HG GLU 9 -24.777 5.585 -6.992 63 HG3 GLU 9 2HG GLU 9 -23.215 5.564 -7.806 64 H ASP 10 HN ASP 10 -24.871 8.175 -4.041 65 HA ASP 10 HA ASP 10 -27.275 8.227 -5.719 66 HB2 ASP 10 3HB ASP 10 -27.250 6.652 -3.789 67 HB3 ASP 10 2HB ASP 10 -27.117 8.036 -2.706 68 H ILE 11 HN ILE 11 -26.738 10.331 -6.494 69 HA ILE 11 HA ILE 11 -26.783 12.599 -4.740 70 HB ILE 11 HB ILE 11 -27.380 12.657 -7.698 71 HG12 ILE 11 3HG1 ILE 11 -24.631 12.681 -6.431 72 HG13 ILE 11 2HG1 ILE 11 -25.338 11.272 -7.214 73 HG21 ILE 11 1HG2 ILE 11 -26.310 14.857 -7.572 74 HG22 ILE 11 2HG2 ILE 11 -26.036 14.625 -5.847 75 HG23 ILE 11 3HG2 ILE 11 -27.682 14.745 -6.469 76 HD11 ILE 11 1HD1 ILE 11 -23.781 12.443 -8.675 77 HD12 ILE 11 2HD1 ILE 11 -24.757 13.905 -8.548 78 HD13 ILE 11 3HD1 ILE 11 -25.419 12.469 -9.325 79 H GLN 12 HN GLN 12 -29.063 10.437 -5.656 80 HA GLN 12 HA GLN 12 -31.302 12.117 -6.163 81 HB2 GLN 12 3HB GLN 12 -31.051 9.188 -5.485 82 HB3 GLN 12 2HB GLN 12 -32.598 9.974 -5.754 83 HG2 GLN 12 3HG GLN 12 -32.160 10.348 -7.995 84 HG3 GLN 12 2HG GLN 12 -30.421 10.169 -7.788 85 HE21 GLN 12 1HE2 GLN 12 -30.655 7.757 -6.184 86 HE22 GLN 12 2HE2 GLN 12 -31.096 6.499 -7.280 87 H GLY 13 HN GLY 13 -30.161 10.312 -3.294 88 HA2 GLY 13 2HA GLY 13 -32.129 11.701 -1.653 89 HA3 GLY 13 1HA GLY 13 -31.053 10.418 -1.130 90 H LEU 14 HN LEU 14 -28.660 11.792 -2.269 91 HA LEU 14 HA LEU 14 -28.395 13.777 -0.128 92 HB2 LEU 14 3HB LEU 14 -26.355 11.837 -1.208 93 HB3 LEU 14 2HB LEU 14 -25.996 13.110 -0.059 94 HG LEU 14 HG LEU 14 -27.919 10.841 0.457 95 HD11 LEU 14 1HD1 LEU 14 -25.077 11.231 1.380 96 HD12 LEU 14 2HD1 LEU 14 -25.640 10.020 0.229 97 HD13 LEU 14 3HD1 LEU 14 -26.169 9.953 1.909 98 HD21 LEU 14 1HD2 LEU 14 -28.430 12.847 1.738 99 HD22 LEU 14 2HD2 LEU 14 -26.755 12.946 2.280 100 HD23 LEU 14 3HD2 LEU 14 -27.767 11.595 2.786 101 H LYS 15 HN LYS 15 -28.694 15.620 -1.272 102 HA LYS 15 HA LYS 15 -26.943 16.094 -3.578 103 HB2 LYS 15 3HB LYS 15 -29.324 17.638 -2.540 104 HB3 LYS 15 2HB LYS 15 -28.282 18.216 -3.831 105 HG2 LYS 15 3HG LYS 15 -28.848 16.335 -5.208 106 HG3 LYS 15 2HG LYS 15 -29.789 15.618 -3.900 107 HD2 LYS 15 3HD LYS 15 -31.360 17.458 -3.981 108 HD3 LYS 15 2HD LYS 15 -30.388 18.263 -5.216 109 HE2 LYS 15 3HE LYS 15 -32.383 17.023 -6.089 110 HE3 LYS 15 2HE LYS 15 -30.844 16.550 -6.804 111 HZ1 LYS 15 1HZ LYS 15 -32.210 15.092 -4.607 112 HZ2 LYS 15 2HZ LYS 15 -30.786 14.619 -5.391 113 HZ3 LYS 15 3HZ LYS 15 -32.249 14.646 -6.238 114 H SER 16 HN SER 16 -26.209 15.969 -0.692 115 HA SER 16 HA SER 16 -25.296 18.583 0.015 116 HB2 SER 16 3HB SER 16 -24.291 15.919 1.035 117 HB3 SER 16 2HB SER 16 -24.164 17.482 1.839 118 HG SER 16 HG SER 16 -25.922 16.736 2.777 119 H LEU 17 HN LEU 17 -24.447 16.548 -2.384 120 HA LEU 17 HA LEU 17 -21.594 16.801 -2.370 121 HB2 LEU 17 3HB LEU 17 -22.990 14.993 -3.496 122 HB3 LEU 17 2HB LEU 17 -23.386 16.184 -4.718 123 HG LEU 17 HG LEU 17 -20.935 16.393 -5.208 124 HD11 LEU 17 1HD1 LEU 17 -20.769 13.979 -3.406 125 HD12 LEU 17 2HD1 LEU 17 -20.062 15.565 -3.097 126 HD13 LEU 17 3HD1 LEU 17 -19.471 14.583 -4.436 127 HD21 LEU 17 1HD2 LEU 17 -20.823 14.311 -6.478 128 HD22 LEU 17 2HD2 LEU 17 -22.423 15.043 -6.592 129 HD23 LEU 17 3HD2 LEU 17 -22.162 13.658 -5.534 130 H ARG 18 HN ARG 18 -24.039 18.948 -2.837 131 HA ARG 18 HA ARG 18 -23.306 20.489 -5.044 132 HB2 ARG 18 3HB ARG 18 -25.429 20.740 -3.859 133 HB3 ARG 18 2HB ARG 18 -24.584 21.336 -2.443 134 HG2 ARG 18 3HG ARG 18 -25.516 23.214 -3.510 135 HG3 ARG 18 2HG ARG 18 -23.787 23.256 -3.859 136 HD2 ARG 18 3HD ARG 18 -25.684 21.949 -5.765 137 HD3 ARG 18 2HD ARG 18 -25.505 23.700 -5.757 138 HE ARG 18 HE ARG 18 -22.972 22.976 -5.980 139 HH11 ARG 18 1HH1 ARG 18 -25.788 21.653 -7.598 140 HH12 ARG 18 2HH1 ARG 18 -24.936 21.312 -9.068 141 HH21 ARG 18 1HH2 ARG 18 -21.859 22.540 -7.937 142 HH22 ARG 18 2HH2 ARG 18 -22.709 21.808 -9.261 143 H LYS 19 HN LYS 19 -22.241 20.626 -1.683 144 HA LYS 19 HA LYS 19 -20.603 22.956 -2.164 145 HB2 LYS 19 3HB LYS 19 -20.993 21.204 0.249 146 HB3 LYS 19 2HB LYS 19 -19.732 22.426 0.197 147 HG2 LYS 19 3HG LYS 19 -21.562 24.094 -0.348 148 HG3 LYS 19 2HG LYS 19 -22.709 22.834 0.099 149 HD2 LYS 19 3HD LYS 19 -20.564 24.023 1.850 150 HD3 LYS 19 2HD LYS 19 -22.302 24.286 1.986 151 HE2 LYS 19 3HE LYS 19 -20.878 21.658 2.353 152 HE3 LYS 19 2HE LYS 19 -21.496 22.683 3.643 153 HZ1 LYS 19 1HZ LYS 19 -22.999 20.866 3.140 154 HZ2 LYS 19 2HZ LYS 19 -23.134 21.385 1.541 155 HZ3 LYS 19 3HZ LYS 19 -23.723 22.353 2.796 156 H SER 20 HN SER 20 -20.246 19.595 -2.462 157 HA SER 20 HA SER 20 -17.365 19.586 -2.318 158 HB2 SER 20 3HB SER 20 -19.137 17.499 -3.622 159 HB3 SER 20 2HB SER 20 -17.518 17.287 -2.958 160 HG SER 20 HG SER 20 -19.213 16.518 -1.567 161 H HIS 21 HN HIS 21 -19.918 19.766 -4.766 162 HA HIS 21 HA HIS 21 -18.177 19.823 -6.984 163 HB2 HIS 21 3HB HIS 21 -21.064 20.275 -6.546 164 HB3 HIS 21 2HB HIS 21 -20.372 21.187 -7.885 165 HD1 HIS 21 1HD HIS 21 -21.690 17.929 -6.994 166 HD2 HIS 21 2HD HIS 21 -19.091 19.451 -9.853 167 HE1 HIS 21 1HE HIS 21 -21.530 16.161 -8.774 168 HE2 HIS 21 2HE HIS 21 -19.813 17.036 -10.406 169 H THR 22 HN THR 22 -19.186 22.254 -4.684 170 HA THR 22 HA THR 22 -18.697 24.625 -6.068 171 HB THR 22 HB THR 22 -17.681 24.314 -3.236 172 HG1 THR 22 1HG THR 22 -20.304 24.129 -4.266 173 HG21 THR 22 1HG2 THR 22 -19.103 26.542 -4.696 174 HG22 THR 22 2HG2 THR 22 -17.371 26.469 -4.368 175 HG23 THR 22 3HG2 THR 22 -18.516 26.590 -3.033 176 H SER 23 HN SER 23 -16.088 22.551 -4.626 177 HA SER 23 HA SER 23 -14.057 24.438 -5.198 178 HB2 SER 23 3HB SER 23 -13.770 21.467 -4.723 179 HB3 SER 23 2HB SER 23 -12.526 22.700 -4.515 180 HG SER 23 HG SER 23 -13.640 22.006 -2.552 181 H LEU 24 HN LEU 24 -15.857 22.511 -7.210 182 HA LEU 24 HA LEU 24 -15.762 22.064 -9.455 183 HB2 LEU 24 3HB LEU 24 -14.907 24.407 -9.531 184 HB3 LEU 24 2HB LEU 24 -13.276 23.776 -9.447 185 HG LEU 24 HG LEU 24 -13.659 22.597 -11.600 186 HD11 LEU 24 1HD1 LEU 24 -16.260 24.119 -11.569 187 HD12 LEU 24 2HD1 LEU 24 -16.063 22.367 -11.523 188 HD13 LEU 24 3HD1 LEU 24 -15.594 23.269 -12.962 189 HD21 LEU 24 1HD2 LEU 24 -13.529 24.592 -12.992 190 HD22 LEU 24 2HD2 LEU 24 -12.566 24.780 -11.527 191 HD23 LEU 24 3HD2 LEU 24 -14.136 25.573 -11.657 192 H GLU 25 HN GLU 25 -14.026 20.639 -7.325 193 HA GLU 25 HA GLU 25 -12.358 19.162 -9.247 194 HB2 GLU 25 3HB GLU 25 -11.928 19.529 -6.278 195 HB3 GLU 25 2HB GLU 25 -10.949 18.504 -7.316 196 HG2 GLU 25 3HG GLU 25 -10.428 20.566 -8.665 197 HG3 GLU 25 2HG GLU 25 -11.188 21.496 -7.374 198 H ASP 26 HN ASP 26 -15.226 18.886 -8.316 199 HA ASP 26 HA ASP 26 -15.186 16.358 -6.908 200 HB2 ASP 26 3HB ASP 26 -16.909 18.093 -6.414 201 HB3 ASP 26 2HB ASP 26 -17.550 17.852 -8.034 202 H ASP 27 HN ASP 27 -15.686 17.626 -10.035 203 HA ASP 27 HA ASP 27 -16.732 15.191 -11.141 204 HB2 ASP 27 3HB ASP 27 -15.823 17.724 -12.503 205 HB3 ASP 27 2HB ASP 27 -16.556 16.358 -13.337 206 H ASP 28 HN ASP 28 -13.745 16.060 -10.197 207 HA ASP 28 HA ASP 28 -12.172 14.710 -12.143 208 HB2 ASP 28 3HB ASP 28 -11.705 15.344 -9.229 209 HB3 ASP 28 2HB ASP 28 -10.539 14.433 -10.180 210 H ASP 29 HN ASP 29 -14.101 13.839 -9.463 211 HA ASP 29 HA ASP 29 -15.204 11.931 -8.949 212 HB2 ASP 29 3HB ASP 29 -15.186 11.621 -11.473 213 HB3 ASP 29 2HB ASP 29 -13.814 10.546 -11.234 214 H GLY 30 HN GLY 30 -11.796 11.997 -9.230 215 HA2 GLY 30 2HA GLY 30 -11.007 9.506 -8.314 216 HA3 GLY 30 1HA GLY 30 -10.132 10.998 -8.012 217 H SER 31 HN SER 31 -12.029 12.309 -6.405 218 HA SER 31 HA SER 31 -11.589 10.827 -3.941 219 HB2 SER 31 3HB SER 31 -12.499 13.675 -4.407 220 HB3 SER 31 2HB SER 31 -12.150 12.964 -2.831 221 HG SER 31 HG SER 31 -10.000 12.501 -3.740 222 H ARG 32 HN ARG 32 -13.832 10.279 -5.949 223 HA ARG 32 HA ARG 32 -16.070 10.561 -4.056 224 HB2 ARG 32 3HB ARG 32 -15.978 10.641 -7.048 225 HB3 ARG 32 2HB ARG 32 -17.455 10.167 -6.220 226 HG2 ARG 32 3HG ARG 32 -17.555 12.283 -5.080 227 HG3 ARG 32 2HG ARG 32 -15.994 12.757 -5.752 228 HD2 ARG 32 3HD ARG 32 -18.042 13.713 -6.887 229 HD3 ARG 32 2HD ARG 32 -16.868 12.917 -7.934 230 HE ARG 32 HE ARG 32 -18.559 10.918 -7.455 231 HH11 ARG 32 1HH1 ARG 32 -19.228 14.267 -8.234 232 HH12 ARG 32 2HH1 ARG 32 -20.638 13.883 -9.183 233 HH21 ARG 32 1HH2 ARG 32 -20.419 10.418 -8.680 234 HH22 ARG 32 2HH2 ARG 32 -21.320 11.697 -9.426 235 H GLY 33 HN GLY 33 -15.961 8.665 -2.948 236 HA2 GLY 33 2HA GLY 33 -16.922 6.508 -2.770 237 HA3 GLY 33 1HA GLY 33 -16.672 6.282 -4.495 238 H GLY 34 HN GLY 34 -14.098 6.729 -4.923 239 HA2 GLY 34 2HA GLY 34 -12.702 4.916 -3.060 240 HA3 GLY 34 1HA GLY 34 -12.578 4.732 -4.802 241 H ASP 35 HN ASP 35 -12.252 7.390 -2.441 242 HA ASP 35 HA ASP 35 -10.182 8.686 -3.895 243 HB2 ASP 35 3HB ASP 35 -11.461 9.900 -2.138 244 HB3 ASP 35 2HB ASP 35 -10.683 8.918 -0.899 245 H CYS 36 HN CYS 36 -10.185 5.943 -1.826 246 HA CYS 36 HA CYS 36 -7.253 5.977 -1.777 247 HB2 CYS 36 3HB CYS 36 -7.625 4.125 -0.019 248 HB3 CYS 36 2HB CYS 36 -7.970 5.789 0.447 249 HG CYS 36 HG CYS 36 -10.218 3.324 -0.286 250 H GLU 37 HN GLU 37 -7.029 5.270 -3.868 251 HA GLU 37 HA GLU 37 -6.931 2.438 -4.180 252 HB2 GLU 37 3HB GLU 37 -9.327 2.922 -4.792 253 HB3 GLU 37 2HB GLU 37 -8.740 3.970 -6.074 254 HG2 GLU 37 3HG GLU 37 -7.674 2.081 -7.165 255 HG3 GLU 37 2HG GLU 37 -8.190 1.017 -5.857 256 H GLY 38 HN GLY 38 -4.840 3.696 -4.062 257 HA2 GLY 38 2HA GLY 38 -3.210 3.905 -6.075 258 HA3 GLY 38 1HA GLY 38 -4.232 5.291 -6.434 259 H CYS 39 HN CYS 39 -2.892 3.897 -3.482 260 HA CYS 39 HA CYS 39 -2.651 6.385 -2.164 261 HB2 CYS 39 3HB CYS 39 -1.313 3.746 -1.517 262 HB3 CYS 39 2HB CYS 39 -1.463 5.112 -0.424 263 H SER 40 HN SER 40 0.089 4.208 -2.475 264 HA SER 40 HA SER 40 2.251 4.446 -3.034 265 HB2 SER 40 3HB SER 40 1.230 5.297 -5.140 266 HB3 SER 40 2HB SER 40 1.486 6.932 -4.549 267 HG SER 40 HG SER 40 3.725 6.462 -4.449 268 H GLY 41 HN GLY 41 0.882 7.641 -2.408 269 HA2 GLY 41 2HA GLY 41 3.360 8.454 -1.056 270 HA3 GLY 41 1HA GLY 41 1.942 9.472 -1.246 271 H THR 42 HN THR 42 1.380 6.295 -0.060 272 HA THR 42 HA THR 42 1.146 7.412 2.663 273 HB THR 42 HB THR 42 -0.233 4.904 1.727 274 HG1 THR 42 1HG THR 42 -1.439 7.477 1.717 275 HG21 THR 42 1HG2 THR 42 -0.159 5.309 4.130 276 HG22 THR 42 2HG2 THR 42 -1.806 5.497 3.525 277 HG23 THR 42 3HG2 THR 42 -0.833 6.921 3.890 278 H ALA 43 HN ALA 43 2.874 6.858 3.825 279 HA ALA 43 HA ALA 43 4.447 4.519 3.127 280 HB1 ALA 43 1HB ALA 43 6.022 5.331 4.790 281 HB2 ALA 43 2HB ALA 43 4.862 6.541 5.335 282 HB3 ALA 43 3HB ALA 43 5.545 6.643 3.712 283 H CYS 44 HN CYS 44 3.951 2.688 3.752 284 HA CYS 44 HA CYS 44 2.753 2.176 6.381 285 HB2 CYS 44 3HB CYS 44 2.447 -0.110 5.304 286 HB3 CYS 44 2HB CYS 44 1.516 1.212 4.599 287 H SER 45 HN SER 45 3.901 1.087 7.886 288 HA SER 45 HA SER 45 6.403 -0.171 7.103 289 HB2 SER 45 3HB SER 45 6.301 -0.934 9.589 290 HB3 SER 45 2HB SER 45 6.574 0.778 9.262 291 HG SER 45 HG SER 45 4.709 1.239 10.134 292 H SER 46 HN SER 46 3.095 -0.960 7.975 293 HA SER 46 HA SER 46 3.638 -3.745 7.220 294 HB2 SER 46 3HB SER 46 1.316 -2.763 8.886 295 HB3 SER 46 2HB SER 46 1.795 -4.435 8.605 296 HG SER 46 HG SER 46 2.954 -4.222 10.336 297 H ASP 47 HN ASP 47 2.374 -4.704 5.668 298 HA ASP 47 HA ASP 47 1.033 -3.087 3.801 299 HB2 ASP 47 3HB ASP 47 0.468 -5.194 2.677 300 HB3 ASP 47 2HB ASP 47 2.161 -5.153 3.161 301 H ALA 48 HN ALA 48 -0.170 -4.379 6.746 302 HA ALA 48 HA ALA 48 -2.662 -5.178 5.929 303 HB1 ALA 48 1HB ALA 48 -1.693 -5.842 8.058 304 HB2 ALA 48 2HB ALA 48 -3.267 -5.087 8.296 305 HB3 ALA 48 3HB ALA 48 -1.795 -4.177 8.631 306 H GLN 49 HN GLN 49 -1.344 -2.036 6.445 307 HA GLN 49 HA GLN 49 -3.924 -0.810 6.824 308 HB2 GLN 49 3HB GLN 49 -2.752 1.244 7.169 309 HB3 GLN 49 2HB GLN 49 -1.931 -0.011 8.080 310 HG2 GLN 49 3HG GLN 49 -0.205 -0.146 6.383 311 HG3 GLN 49 2HG GLN 49 -1.040 1.068 5.416 312 HE21 GLN 49 1HE2 GLN 49 -0.767 1.121 8.904 313 HE22 GLN 49 2HE2 GLN 49 0.247 2.520 8.993 314 H CYS 50 HN CYS 50 -1.571 -1.373 4.279 315 HA CYS 50 HA CYS 50 -2.871 0.428 2.432 316 HB2 CYS 50 3HB CYS 50 -1.312 -1.970 1.537 317 HB3 CYS 50 2HB CYS 50 -1.477 -0.411 0.752 318 H ARG 51 HN ARG 51 -3.015 -2.949 3.330 319 HA ARG 51 HA ARG 51 -5.004 -3.827 1.596 320 HB2 ARG 51 3HB ARG 51 -4.556 -4.525 4.509 321 HB3 ARG 51 2HB ARG 51 -5.664 -5.379 3.457 322 HG2 ARG 51 3HG ARG 51 -2.674 -5.254 3.271 323 HG3 ARG 51 2HG ARG 51 -3.691 -6.664 3.574 324 HD2 ARG 51 3HD ARG 51 -3.646 -5.049 1.035 325 HD3 ARG 51 2HD ARG 51 -2.824 -6.589 1.275 326 HE ARG 51 HE ARG 51 -5.518 -6.983 1.873 327 HH11 ARG 51 1HH1 ARG 51 -3.541 -6.141 -0.886 328 HH12 ARG 51 2HH1 ARG 51 -4.620 -6.859 -2.044 329 HH21 ARG 51 1HH2 ARG 51 -6.953 -7.924 0.346 330 HH22 ARG 51 2HH2 ARG 51 -6.561 -7.864 -1.345 331 H ALA 52 HN ALA 52 -5.207 -2.172 4.700 332 HA ALA 52 HA ALA 52 -8.043 -1.955 4.735 333 HB1 ALA 52 1HB ALA 52 -5.995 -0.313 6.220 334 HB2 ALA 52 2HB ALA 52 -6.688 -1.837 6.772 335 HB3 ALA 52 3HB ALA 52 -7.717 -0.418 6.591 336 H ARG 53 HN ARG 53 -5.540 -0.195 3.159 337 HA ARG 53 HA ARG 53 -7.144 2.151 2.712 338 HB2 ARG 53 3HB ARG 53 -4.531 1.299 1.503 339 HB3 ARG 53 2HB ARG 53 -5.371 2.771 1.037 340 HG2 ARG 53 3HG ARG 53 -4.402 2.142 3.814 341 HG3 ARG 53 2HG ARG 53 -3.584 3.187 2.650 342 HD2 ARG 53 3HD ARG 53 -5.607 4.629 2.605 343 HD3 ARG 53 2HD ARG 53 -6.310 3.622 3.870 344 HE ARG 53 HE ARG 53 -3.755 4.572 4.649 345 HH11 ARG 53 1HH1 ARG 53 -7.078 5.606 4.268 346 HH12 ARG 53 2HH1 ARG 53 -6.960 6.859 5.463 347 HH21 ARG 53 1HH2 ARG 53 -3.596 6.234 6.216 348 HH22 ARG 53 2HH2 ARG 53 -4.985 7.211 6.571 349 H GLY 54 HN GLY 54 -7.247 -0.909 1.487 350 HA2 GLY 54 2HA GLY 54 -8.297 -1.829 -0.342 351 HA3 GLY 54 1HA GLY 54 -8.974 -0.238 -0.672 352 H CYS 55 HN CYS 55 -5.775 0.153 -0.356 353 HA CYS 55 HA CYS 55 -5.350 0.504 -3.151 354 HB2 CYS 55 3HB CYS 55 -3.626 0.974 -0.760 355 HB3 CYS 55 2HB CYS 55 -2.872 0.871 -2.351 356 H ASP 56 HN ASP 56 -3.031 -1.450 -1.213 357 HA ASP 56 HA ASP 56 -3.853 -3.874 -2.376 358 HB2 ASP 56 3HB ASP 56 -3.053 -3.002 -4.491 359 HB3 ASP 56 2HB ASP 56 -1.518 -2.536 -3.770 360 H GLY 57 HN GLY 57 -0.696 -2.267 -1.697 361 HA2 GLY 57 2HA GLY 57 -0.365 -3.833 0.675 362 HA3 GLY 57 1HA GLY 57 0.517 -4.529 -0.672 363 H CYS 58 HN CYS 58 1.645 -3.649 1.658 364 HA CYS 58 HA CYS 58 3.130 -1.252 1.095 365 HB2 CYS 58 3HB CYS 58 2.664 -2.539 3.382 366 HB3 CYS 58 2HB CYS 58 4.165 -3.350 2.947 367 H SER 59 HN SER 59 5.151 -1.120 0.086 368 HA SER 59 HA SER 59 5.958 -3.643 -1.197 369 HB2 SER 59 3HB SER 59 7.079 -2.229 -2.870 370 HB3 SER 59 2HB SER 59 5.370 -1.818 -2.735 371 HG SER 59 HG SER 59 6.565 0.071 -2.744 372 H THR 60 HN THR 60 8.437 -3.613 -1.759 373 HA THR 60 HA THR 60 10.183 -3.673 0.321 374 HB THR 60 HB THR 60 11.262 -2.176 -2.026 375 HG1 THR 60 1HG THR 60 10.887 -4.827 -2.602 376 HG21 THR 60 1HG2 THR 60 12.737 -3.135 -0.335 377 HG22 THR 60 2HG2 THR 60 12.967 -3.932 -1.891 378 HG23 THR 60 3HG2 THR 60 12.048 -4.733 -0.616 379 H SER 61 HN SER 61 8.820 -0.640 -0.918 380 HA SER 61 HA SER 61 10.862 0.842 0.482 381 HB2 SER 61 3HB SER 61 10.542 1.400 -1.884 382 HB3 SER 61 2HB SER 61 8.861 1.808 -1.554 383 HG SER 61 HG SER 61 9.709 3.427 -0.075 384 H GLY 62 HN GLY 62 8.322 -0.433 1.673 385 HA2 GLY 62 2HA GLY 62 6.791 0.106 3.279 386 HA3 GLY 62 1HA GLY 62 7.892 1.411 3.694 387 H VAL 63 HN VAL 63 6.302 1.112 0.596 388 HA VAL 63 HA VAL 63 4.592 3.397 1.311 389 HB VAL 63 HB VAL 63 4.600 4.104 -1.017 390 HG11 VAL 63 1HG1 VAL 63 6.941 4.793 -1.234 391 HG12 VAL 63 2HG1 VAL 63 7.385 3.646 0.028 392 HG13 VAL 63 3HG1 VAL 63 6.329 5.007 0.405 393 HG21 VAL 63 1HG2 VAL 63 4.829 1.892 -2.064 394 HG22 VAL 63 2HG2 VAL 63 6.516 1.843 -1.558 395 HG23 VAL 63 3HG2 VAL 63 5.978 3.060 -2.712 396 H CYS 64 HN CYS 64 2.520 3.423 0.106 397 HA CYS 64 HA CYS 64 1.465 0.660 0.223 398 HB2 CYS 64 3HB CYS 64 0.230 3.328 0.886 399 HB3 CYS 64 2HB CYS 64 -0.807 2.041 0.351 400 H VAL 65 HN VAL 65 1.320 -0.196 -1.735 401 HA VAL 65 HA VAL 65 0.220 1.335 -3.975 402 HB VAL 65 HB VAL 65 2.171 0.881 -5.417 403 HG11 VAL 65 1HG1 VAL 65 2.847 2.322 -2.888 404 HG12 VAL 65 2HG1 VAL 65 2.116 3.003 -4.344 405 HG13 VAL 65 3HG1 VAL 65 3.781 2.415 -4.381 406 HG21 VAL 65 1HG2 VAL 65 3.495 -0.164 -2.916 407 HG22 VAL 65 2HG2 VAL 65 4.273 0.065 -4.482 408 HG23 VAL 65 3HG2 VAL 65 2.993 -1.134 -4.300 409 H LEU 66 HN LEU 66 0.434 -0.304 -6.045 410 HA LEU 66 HA LEU 66 -0.300 -2.953 -5.282 411 HB2 LEU 66 3HB LEU 66 -0.660 -1.738 -7.554 412 HB3 LEU 66 2HB LEU 66 0.980 -2.234 -7.912 413 HG LEU 66 HG LEU 66 -1.207 -4.186 -7.194 414 HD11 LEU 66 1HD1 LEU 66 -0.274 -3.314 -9.924 415 HD12 LEU 66 2HD1 LEU 66 -1.848 -2.977 -9.206 416 HD13 LEU 66 3HD1 LEU 66 -1.390 -4.637 -9.590 417 HD21 LEU 66 1HD2 LEU 66 1.053 -5.039 -6.883 418 HD22 LEU 66 2HD2 LEU 66 1.482 -4.545 -8.520 419 HD23 LEU 66 3HD2 LEU 66 0.285 -5.814 -8.268 420 H SER 67 HN SER 67 1.234 -3.493 -3.743 421 HA SER 67 HA SER 67 3.970 -3.187 -3.762 422 HB2 SER 67 3HB SER 67 3.844 -5.400 -2.341 423 HB3 SER 67 2HB SER 67 3.140 -3.902 -1.737 424 HG SER 67 HG SER 67 1.341 -5.209 -3.263 425 H SER 68 HN SER 68 5.264 -3.826 -5.605 426 HA SER 68 HA SER 68 4.974 -6.581 -6.522 427 HB2 SER 68 3HB SER 68 6.852 -4.422 -7.520 428 HB3 SER 68 2HB SER 68 6.445 -5.937 -8.329 429 HG SER 68 HG SER 68 4.282 -4.354 -7.676 430 H LEU 69 HN LEU 69 5.814 -7.795 -4.852 431 HA LEU 69 HA LEU 69 8.075 -6.883 -3.352 432 HB2 LEU 69 3HB LEU 69 6.611 -9.519 -3.324 433 HB3 LEU 69 2HB LEU 69 7.919 -9.118 -2.231 434 HG LEU 69 HG LEU 69 6.030 -8.722 -0.948 435 HD11 LEU 69 1HD1 LEU 69 7.570 -6.783 -1.003 436 HD12 LEU 69 2HD1 LEU 69 5.913 -6.366 -0.572 437 HD13 LEU 69 3HD1 LEU 69 6.514 -6.027 -2.194 438 HD21 LEU 69 1HD2 LEU 69 4.372 -9.005 -2.704 439 HD22 LEU 69 2HD2 LEU 69 4.737 -7.396 -3.324 440 HD23 LEU 69 3HD2 LEU 69 4.018 -7.582 -1.725 441 H HIS 70 HN HIS 70 10.003 -6.864 -4.210 442 HA HIS 70 HA HIS 70 10.886 -8.972 -6.008 443 HB2 HIS 70 3HB HIS 70 12.252 -6.464 -5.002 444 HB3 HIS 70 2HB HIS 70 13.010 -7.623 -6.087 445 HD1 HIS 70 1HD HIS 70 12.412 -7.490 -8.545 446 HD2 HIS 70 2HD HIS 70 10.142 -4.943 -6.174 447 HE1 HIS 70 1HE HIS 70 11.191 -5.987 -10.148 448 HE2 HIS 70 2HE HIS 70 9.938 -4.362 -8.686 449 H HIS 71 HN HIS 71 10.955 -10.754 -4.673 450 HA HIS 71 HA HIS 71 11.870 -12.276 -3.268 451 HB2 HIS 71 3HB HIS 71 14.120 -10.265 -3.075 452 HB3 HIS 71 2HB HIS 71 14.162 -11.863 -2.338 453 HD1 HIS 71 1HD HIS 71 14.857 -13.787 -3.805 454 HD2 HIS 71 2HD HIS 71 14.114 -10.310 -5.959 455 HE1 HIS 71 1HE HIS 71 15.639 -14.257 -6.144 456 HE2 HIS 71 2HE HIS 71 15.065 -12.192 -7.455 457 H HIS 72 HN HIS 72 9.935 -11.525 -2.050 458 HA HIS 72 HA HIS 72 8.932 -11.234 -0.026 459 HB2 HIS 72 3HB HIS 72 11.794 -11.474 0.902 460 HB3 HIS 72 2HB HIS 72 10.467 -11.231 2.027 461 HD1 HIS 72 1HD HIS 72 10.699 -13.500 3.161 462 HD2 HIS 72 2HD HIS 72 10.152 -13.756 -0.955 463 HE1 HIS 72 1HE HIS 72 10.263 -15.931 2.685 464 HE2 HIS 72 2HE HIS 72 9.929 -16.065 0.188 465 H HIS 73 HN HIS 73 9.449 -9.733 2.174 466 HA HIS 73 HA HIS 73 10.517 -7.163 1.338 467 HB2 HIS 73 3HB HIS 73 8.566 -5.928 2.273 468 HB3 HIS 73 2HB HIS 73 8.183 -6.845 0.828 469 HD1 HIS 73 1HD HIS 73 7.191 -6.363 4.330 470 HD2 HIS 73 2HD HIS 73 6.598 -9.210 1.348 471 HE1 HIS 73 1HE HIS 73 5.238 -7.757 5.090 472 HE2 HIS 73 2HE HIS 73 4.958 -9.529 3.324 473 H HIS 74 HN HIS 74 11.947 -6.605 2.789 474 HA HIS 74 HA HIS 74 12.036 -7.852 5.369 475 HB2 HIS 74 3HB HIS 74 13.727 -5.693 4.103 476 HB3 HIS 74 2HB HIS 74 14.019 -6.324 5.720 477 HD1 HIS 74 1HD HIS 74 14.341 -7.205 2.104 478 HD2 HIS 74 2HD HIS 74 15.081 -8.918 5.817 479 HE1 HIS 74 1HE HIS 74 15.717 -9.251 1.640 480 HE2 HIS 74 2HE HIS 74 16.011 -10.355 3.881 481 H HIS 75 HN HIS 75 10.545 -5.104 4.101 482 HA HIS 75 HA HIS 75 10.187 -3.844 6.695 483 HB2 HIS 75 3HB HIS 75 9.071 -3.205 3.954 484 HB3 HIS 75 2HB HIS 75 8.626 -2.322 5.410 485 HD1 HIS 75 1HD HIS 75 10.046 -0.358 5.961 486 HD2 HIS 75 2HD HIS 75 11.956 -2.997 3.387 487 HE1 HIS 75 1HE HIS 75 12.181 0.782 5.287 488 HE2 HIS 75 2HE HIS 75 13.258 -0.781 3.633 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -7.629 23.643 -6.758 2 H2 MET 1 2HT MET 1 -8.424 22.940 -5.446 3 H3 MET 1 3HT MET 1 -9.241 23.162 -6.910 4 HA MET 1 HA MET 1 -6.940 21.361 -6.455 5 HB2 MET 1 3HB MET 1 -9.889 20.855 -6.830 6 HB3 MET 1 2HB MET 1 -8.675 19.604 -7.065 7 HG2 MET 1 3HG MET 1 -9.098 21.142 -4.516 8 HG3 MET 1 2HG MET 1 -9.728 19.531 -4.846 9 HE1 MET 1 1HE MET 1 -6.839 18.929 -2.231 10 HE2 MET 1 2HE MET 1 -8.547 18.668 -2.580 11 HE3 MET 1 3HE MET 1 -7.945 20.302 -2.309 12 H CYS 2 HN CYS 2 -6.069 20.410 -8.234 13 HA CYS 2 HA CYS 2 -7.303 20.821 -10.832 14 HB2 CYS 2 3HB CYS 2 -5.166 21.708 -11.783 15 HB3 CYS 2 2HB CYS 2 -5.962 22.812 -10.669 16 HG CYS 2 HG CYS 2 -4.171 21.686 -8.540 17 H GLU 3 HN GLU 3 -7.018 18.513 -9.318 18 HA GLU 3 HA GLU 3 -4.709 17.041 -10.224 19 HB2 GLU 3 3HB GLU 3 -7.184 16.121 -8.748 20 HB3 GLU 3 2HB GLU 3 -5.769 15.130 -9.058 21 HG2 GLU 3 3HG GLU 3 -5.823 17.644 -7.409 22 HG3 GLU 3 2HG GLU 3 -5.797 15.997 -6.783 23 H PHE 4 HN PHE 4 -5.000 17.235 -12.495 24 HA PHE 4 HA PHE 4 -7.392 16.440 -13.830 25 HB2 PHE 4 3HB PHE 4 -5.979 16.478 -15.884 26 HB3 PHE 4 2HB PHE 4 -5.869 17.954 -14.936 27 HD1 PHE 4 1HD PHE 4 -3.818 18.534 -13.776 28 HD2 PHE 4 2HD PHE 4 -4.102 14.973 -16.089 29 HE1 PHE 4 1HE PHE 4 -1.367 18.321 -13.745 30 HE2 PHE 4 2HE PHE 4 -1.654 14.755 -16.058 31 HZ PHE 4 HZ PHE 4 -0.281 16.429 -14.885 32 H ILE 5 HN ILE 5 -4.852 14.727 -12.435 33 HA ILE 5 HA ILE 5 -4.675 12.401 -13.922 34 HB ILE 5 HB ILE 5 -3.244 12.894 -11.902 35 HG12 ILE 5 3HG1 ILE 5 -4.574 10.193 -11.995 36 HG13 ILE 5 2HG1 ILE 5 -3.275 10.719 -13.063 37 HG21 ILE 5 1HG2 ILE 5 -4.094 11.859 -9.743 38 HG22 ILE 5 2HG2 ILE 5 -5.709 11.957 -10.433 39 HG23 ILE 5 3HG2 ILE 5 -4.777 13.425 -10.144 40 HD11 ILE 5 1HD1 ILE 5 -1.763 10.880 -11.183 41 HD12 ILE 5 2HD1 ILE 5 -2.480 9.272 -11.261 42 HD13 ILE 5 3HD1 ILE 5 -3.062 10.439 -10.075 43 H GLU 6 HN GLU 6 -7.360 13.478 -12.050 44 HA GLU 6 HA GLU 6 -8.930 11.281 -12.807 45 HB2 GLU 6 3HB GLU 6 -7.406 10.277 -11.015 46 HB3 GLU 6 2HB GLU 6 -8.296 11.263 -9.865 47 HG2 GLU 6 3HG GLU 6 -9.233 9.091 -9.818 48 HG3 GLU 6 2HG GLU 6 -10.384 10.144 -10.642 49 H ASP 7 HN ASP 7 -8.394 14.105 -11.031 50 HA ASP 7 HA ASP 7 -11.155 14.295 -10.086 51 HB2 ASP 7 3HB ASP 7 -9.186 14.820 -8.603 52 HB3 ASP 7 2HB ASP 7 -8.871 16.216 -9.628 53 H SER 8 HN SER 8 -9.857 14.813 -12.948 54 HA SER 8 HA SER 8 -10.370 17.551 -13.482 55 HB2 SER 8 3HB SER 8 -8.919 15.935 -14.863 56 HB3 SER 8 2HB SER 8 -10.430 15.372 -15.570 57 HG SER 8 HG SER 8 -9.771 18.118 -15.514 58 H GLU 9 HN GLU 9 -12.318 14.649 -13.559 59 HA GLU 9 HA GLU 9 -14.485 15.757 -15.025 60 HB2 GLU 9 3HB GLU 9 -15.748 13.790 -14.252 61 HB3 GLU 9 2HB GLU 9 -14.179 13.360 -14.917 62 HG2 GLU 9 3HG GLU 9 -13.281 13.096 -12.678 63 HG3 GLU 9 2HG GLU 9 -14.831 13.574 -11.987 64 H ASP 10 HN ASP 10 -13.525 15.952 -11.703 65 HA ASP 10 HA ASP 10 -16.087 16.810 -10.711 66 HB2 ASP 10 3HB ASP 10 -14.298 15.834 -9.241 67 HB3 ASP 10 2HB ASP 10 -13.352 17.295 -9.499 68 H ILE 11 HN ILE 11 -13.053 18.379 -11.618 69 HA ILE 11 HA ILE 11 -13.903 21.038 -11.247 70 HB ILE 11 HB ILE 11 -11.819 20.016 -13.182 71 HG12 ILE 11 3HG1 ILE 11 -11.351 19.265 -10.902 72 HG13 ILE 11 2HG1 ILE 11 -10.200 20.504 -11.386 73 HG21 ILE 11 1HG2 ILE 11 -12.501 22.303 -13.652 74 HG22 ILE 11 2HG2 ILE 11 -10.860 22.258 -13.008 75 HG23 ILE 11 3HG2 ILE 11 -12.201 22.750 -11.974 76 HD11 ILE 11 1HD1 ILE 11 -10.902 20.830 -9.097 77 HD12 ILE 11 2HD1 ILE 11 -12.591 20.899 -9.601 78 HD13 ILE 11 3HD1 ILE 11 -11.468 22.163 -10.105 79 H GLN 12 HN GLN 12 -14.053 18.865 -14.025 80 HA GLN 12 HA GLN 12 -15.196 20.822 -15.789 81 HB2 GLN 12 3HB GLN 12 -15.052 17.807 -15.941 82 HB3 GLN 12 2HB GLN 12 -15.753 18.807 -17.203 83 HG2 GLN 12 3HG GLN 12 -13.631 19.892 -17.580 84 HG3 GLN 12 2HG GLN 12 -12.891 18.973 -16.262 85 HE21 GLN 12 1HE2 GLN 12 -11.393 17.780 -17.408 86 HE22 GLN 12 2HE2 GLN 12 -11.823 16.657 -18.651 87 H GLY 13 HN GLY 13 -16.351 18.932 -13.237 88 HA2 GLY 13 2HA GLY 13 -19.098 18.798 -14.112 89 HA3 GLY 13 1HA GLY 13 -18.477 18.347 -12.530 90 H LEU 14 HN LEU 14 -17.190 20.758 -11.870 91 HA LEU 14 HA LEU 14 -17.622 22.693 -10.762 92 HB2 LEU 14 3HB LEU 14 -19.453 23.110 -13.123 93 HB3 LEU 14 2HB LEU 14 -19.040 24.355 -11.964 94 HG LEU 14 HG LEU 14 -17.029 22.942 -13.715 95 HD11 LEU 14 1HD1 LEU 14 -18.562 24.264 -15.069 96 HD12 LEU 14 2HD1 LEU 14 -16.972 25.024 -15.001 97 HD13 LEU 14 3HD1 LEU 14 -18.296 25.661 -14.027 98 HD21 LEU 14 1HD2 LEU 14 -16.811 25.382 -11.954 99 HD22 LEU 14 2HD2 LEU 14 -15.548 24.769 -13.019 100 HD23 LEU 14 3HD2 LEU 14 -16.086 23.806 -11.645 101 H LYS 15 HN LYS 15 -18.732 20.962 -9.325 102 HA LYS 15 HA LYS 15 -21.551 20.847 -9.171 103 HB2 LYS 15 3HB LYS 15 -19.553 20.417 -6.946 104 HB3 LYS 15 2HB LYS 15 -21.204 19.815 -7.002 105 HG2 LYS 15 3HG LYS 15 -20.696 18.296 -8.732 106 HG3 LYS 15 2HG LYS 15 -19.135 19.065 -9.036 107 HD2 LYS 15 3HD LYS 15 -18.342 18.349 -6.846 108 HD3 LYS 15 2HD LYS 15 -19.910 17.619 -6.503 109 HE2 LYS 15 3HE LYS 15 -19.611 16.019 -8.270 110 HE3 LYS 15 2HE LYS 15 -18.128 16.814 -8.794 111 HZ1 LYS 15 1HZ LYS 15 -17.017 16.147 -6.845 112 HZ2 LYS 15 2HZ LYS 15 -17.823 14.770 -7.413 113 HZ3 LYS 15 3HZ LYS 15 -18.448 15.627 -6.095 114 H SER 16 HN SER 16 -19.191 23.058 -7.913 115 HA SER 16 HA SER 16 -20.863 24.360 -6.026 116 HB2 SER 16 3HB SER 16 -19.083 26.216 -6.364 117 HB3 SER 16 2HB SER 16 -18.561 24.669 -5.695 118 HG SER 16 HG SER 16 -17.190 24.702 -7.290 119 H LEU 17 HN LEU 17 -20.600 24.455 -9.436 120 HA LEU 17 HA LEU 17 -22.058 26.991 -9.614 121 HB2 LEU 17 3HB LEU 17 -20.117 26.688 -11.092 122 HB3 LEU 17 2HB LEU 17 -20.859 25.254 -11.770 123 HG LEU 17 HG LEU 17 -22.704 26.670 -12.649 124 HD11 LEU 17 1HD1 LEU 17 -22.556 28.513 -11.073 125 HD12 LEU 17 2HD1 LEU 17 -22.387 29.096 -12.728 126 HD13 LEU 17 3HD1 LEU 17 -20.963 28.940 -11.698 127 HD21 LEU 17 1HD2 LEU 17 -19.920 27.440 -13.513 128 HD22 LEU 17 2HD2 LEU 17 -21.391 27.675 -14.456 129 HD23 LEU 17 3HD2 LEU 17 -20.840 26.043 -14.075 130 H ARG 18 HN ARG 18 -22.303 23.600 -10.182 131 HA ARG 18 HA ARG 18 -25.089 23.876 -11.066 132 HB2 ARG 18 3HB ARG 18 -23.125 21.591 -11.320 133 HB3 ARG 18 2HB ARG 18 -24.817 21.486 -11.792 134 HG2 ARG 18 3HG ARG 18 -24.526 23.132 -13.488 135 HG3 ARG 18 2HG ARG 18 -22.904 23.516 -12.915 136 HD2 ARG 18 3HD ARG 18 -22.105 21.345 -13.589 137 HD3 ARG 18 2HD ARG 18 -23.738 20.842 -14.029 138 HE ARG 18 HE ARG 18 -23.651 22.579 -15.779 139 HH11 ARG 18 1HH1 ARG 18 -20.631 21.359 -14.480 140 HH12 ARG 18 2HH1 ARG 18 -19.718 21.780 -15.900 141 HH21 ARG 18 1HH2 ARG 18 -22.445 23.121 -17.629 142 HH22 ARG 18 2HH2 ARG 18 -20.747 22.776 -17.682 143 H LYS 19 HN LYS 19 -26.055 24.178 -9.085 144 HA LYS 19 HA LYS 19 -25.339 22.618 -6.785 145 HB2 LYS 19 3HB LYS 19 -27.473 24.695 -7.253 146 HB3 LYS 19 2HB LYS 19 -27.293 23.851 -5.724 147 HG2 LYS 19 3HG LYS 19 -26.185 25.894 -5.441 148 HG3 LYS 19 2HG LYS 19 -24.907 24.706 -5.686 149 HD2 LYS 19 3HD LYS 19 -24.365 26.658 -6.959 150 HD3 LYS 19 2HD LYS 19 -24.835 25.387 -8.088 151 HE2 LYS 19 3HE LYS 19 -27.067 26.371 -8.272 152 HE3 LYS 19 2HE LYS 19 -26.609 27.631 -7.128 153 HZ1 LYS 19 1HZ LYS 19 -26.481 28.362 -9.450 154 HZ2 LYS 19 2HZ LYS 19 -25.310 27.180 -9.760 155 HZ3 LYS 19 3HZ LYS 19 -24.977 28.437 -8.676 156 H SER 20 HN SER 20 -26.719 21.434 -9.263 157 HA SER 20 HA SER 20 -28.834 19.981 -7.802 158 HB2 SER 20 3HB SER 20 -29.530 20.869 -10.001 159 HB3 SER 20 2HB SER 20 -28.218 19.992 -10.785 160 HG SER 20 HG SER 20 -30.106 18.620 -9.208 161 H HIS 21 HN HIS 21 -25.574 19.802 -8.886 162 HA HIS 21 HA HIS 21 -25.577 16.871 -8.640 163 HB2 HIS 21 3HB HIS 21 -23.574 18.779 -9.854 164 HB3 HIS 21 2HB HIS 21 -23.217 17.081 -9.561 165 HD1 HIS 21 1HD HIS 21 -22.939 17.702 -12.365 166 HD2 HIS 21 2HD HIS 21 -26.691 16.910 -10.755 167 HE1 HIS 21 1HE HIS 21 -24.385 17.043 -14.311 168 HE2 HIS 21 2HE HIS 21 -26.676 16.686 -13.332 169 H THR 22 HN THR 22 -25.356 19.401 -6.673 170 HA THR 22 HA THR 22 -22.919 19.031 -5.251 171 HB THR 22 HB THR 22 -24.589 19.985 -3.335 172 HG1 THR 22 1HG THR 22 -26.458 19.986 -4.498 173 HG21 THR 22 1HG2 THR 22 -22.567 21.090 -4.139 174 HG22 THR 22 2HG2 THR 22 -23.912 22.229 -4.091 175 HG23 THR 22 3HG2 THR 22 -23.388 21.550 -5.631 176 H SER 23 HN SER 23 -24.872 16.500 -5.597 177 HA SER 23 HA SER 23 -24.907 15.719 -2.788 178 HB2 SER 23 3HB SER 23 -26.147 13.686 -3.843 179 HB3 SER 23 2HB SER 23 -26.991 15.233 -3.746 180 HG SER 23 HG SER 23 -27.261 14.892 -5.812 181 H LEU 24 HN LEU 24 -22.972 15.578 -5.477 182 HA LEU 24 HA LEU 24 -21.856 12.948 -5.054 183 HB2 LEU 24 3HB LEU 24 -20.936 15.249 -6.780 184 HB3 LEU 24 2HB LEU 24 -20.224 13.647 -6.784 185 HG LEU 24 HG LEU 24 -23.088 14.229 -7.537 186 HD11 LEU 24 1HD1 LEU 24 -22.356 13.863 -9.844 187 HD12 LEU 24 2HD1 LEU 24 -20.683 13.750 -9.292 188 HD13 LEU 24 3HD1 LEU 24 -21.568 15.268 -9.124 189 HD21 LEU 24 1HD2 LEU 24 -23.012 11.954 -8.465 190 HD22 LEU 24 2HD2 LEU 24 -22.747 11.968 -6.721 191 HD23 LEU 24 3HD2 LEU 24 -21.383 11.756 -7.820 192 H GLU 25 HN GLU 25 -21.572 13.652 -2.716 193 HA GLU 25 HA GLU 25 -18.787 14.445 -2.360 194 HB2 GLU 25 3HB GLU 25 -20.187 16.472 -1.997 195 HB3 GLU 25 2HB GLU 25 -21.061 15.613 -0.739 196 HG2 GLU 25 3HG GLU 25 -19.036 15.437 0.584 197 HG3 GLU 25 2HG GLU 25 -18.118 16.232 -0.695 198 H ASP 26 HN ASP 26 -18.005 12.608 -1.588 199 HA ASP 26 HA ASP 26 -19.324 11.344 0.714 200 HB2 ASP 26 3HB ASP 26 -18.578 10.020 -1.889 201 HB3 ASP 26 2HB ASP 26 -18.643 9.092 -0.400 202 H ASP 27 HN ASP 27 -17.673 9.423 1.435 203 HA ASP 27 HA ASP 27 -15.200 10.711 1.993 204 HB2 ASP 27 3HB ASP 27 -14.637 8.824 3.290 205 HB3 ASP 27 2HB ASP 27 -16.382 8.973 3.447 206 H ASP 28 HN ASP 28 -16.350 9.002 -0.586 207 HA ASP 28 HA ASP 28 -14.089 7.617 -1.504 208 HB2 ASP 28 3HB ASP 28 -16.449 8.736 -3.008 209 HB3 ASP 28 2HB ASP 28 -15.204 7.748 -3.764 210 H ASP 29 HN ASP 29 -15.059 10.924 -1.818 211 HA ASP 29 HA ASP 29 -12.834 11.444 -3.643 212 HB2 ASP 29 3HB ASP 29 -13.786 13.678 -3.959 213 HB3 ASP 29 2HB ASP 29 -14.972 12.428 -4.295 214 H GLY 30 HN GLY 30 -12.931 10.995 -0.548 215 HA2 GLY 30 2HA GLY 30 -11.673 13.333 0.519 216 HA3 GLY 30 1HA GLY 30 -11.666 11.727 1.240 217 H SER 31 HN SER 31 -10.605 10.554 -1.238 218 HA SER 31 HA SER 31 -7.792 11.176 -0.834 219 HB2 SER 31 3HB SER 31 -8.687 8.800 -0.897 220 HB3 SER 31 2HB SER 31 -9.004 9.043 -2.613 221 HG SER 31 HG SER 31 -6.441 9.652 -1.688 222 H ARG 32 HN ARG 32 -9.667 12.995 -2.156 223 HA ARG 32 HA ARG 32 -9.852 13.109 -4.833 224 HB2 ARG 32 3HB ARG 32 -10.705 14.807 -3.226 225 HB3 ARG 32 2HB ARG 32 -9.081 15.481 -3.128 226 HG2 ARG 32 3HG ARG 32 -9.131 16.076 -5.452 227 HG3 ARG 32 2HG ARG 32 -10.685 15.270 -5.664 228 HD2 ARG 32 3HD ARG 32 -11.643 16.873 -4.000 229 HD3 ARG 32 2HD ARG 32 -10.107 17.735 -4.032 230 HE ARG 32 HE ARG 32 -10.741 17.634 -6.640 231 HH11 ARG 32 1HH1 ARG 32 -12.631 18.633 -3.848 232 HH12 ARG 32 2HH1 ARG 32 -13.621 19.713 -4.773 233 HH21 ARG 32 1HH2 ARG 32 -12.046 19.010 -7.825 234 HH22 ARG 32 2HH2 ARG 32 -13.311 19.911 -7.044 235 H GLY 33 HN GLY 33 -8.308 12.508 -6.238 236 HA2 GLY 33 2HA GLY 33 -6.441 13.842 -7.422 237 HA3 GLY 33 1HA GLY 33 -5.591 13.561 -5.909 238 H GLY 34 HN GLY 34 -7.769 11.143 -7.074 239 HA2 GLY 34 2HA GLY 34 -7.433 9.124 -8.132 240 HA3 GLY 34 1HA GLY 34 -5.810 9.648 -8.555 241 H ASP 35 HN ASP 35 -4.382 9.897 -6.470 242 HA ASP 35 HA ASP 35 -4.827 7.581 -4.712 243 HB2 ASP 35 3HB ASP 35 -2.255 8.227 -6.177 244 HB3 ASP 35 2HB ASP 35 -2.399 7.029 -4.901 245 H CYS 36 HN CYS 36 -5.111 10.494 -4.352 246 HA CYS 36 HA CYS 36 -2.758 11.426 -2.976 247 HB2 CYS 36 3HB CYS 36 -4.269 13.016 -4.162 248 HB3 CYS 36 2HB CYS 36 -5.520 12.682 -2.962 249 HG CYS 36 HG CYS 36 -2.557 14.311 -2.503 250 H GLU 37 HN GLU 37 -2.192 10.796 -1.060 251 HA GLU 37 HA GLU 37 -2.186 10.022 1.073 252 HB2 GLU 37 3HB GLU 37 -3.443 12.128 1.515 253 HB3 GLU 37 2HB GLU 37 -4.947 11.256 1.255 254 HG2 GLU 37 3HG GLU 37 -4.392 11.564 3.638 255 HG3 GLU 37 2HG GLU 37 -4.547 9.873 3.172 256 H GLY 38 HN GLY 38 -2.464 8.142 -0.554 257 HA2 GLY 38 2HA GLY 38 -4.473 6.358 0.492 258 HA3 GLY 38 1HA GLY 38 -4.646 6.814 -1.202 259 H CYS 39 HN CYS 39 -2.484 6.697 -2.410 260 HA CYS 39 HA CYS 39 -1.199 4.178 -1.783 261 HB2 CYS 39 3HB CYS 39 -2.151 4.924 -4.554 262 HB3 CYS 39 2HB CYS 39 -1.419 3.409 -4.060 263 H SER 40 HN SER 40 0.908 4.306 -1.984 264 HA SER 40 HA SER 40 2.932 4.606 -2.984 265 HB2 SER 40 3HB SER 40 1.353 5.246 -5.008 266 HB3 SER 40 2HB SER 40 1.997 6.859 -4.690 267 HG SER 40 HG SER 40 3.174 4.820 -5.958 268 H GLY 41 HN GLY 41 1.369 7.811 -2.948 269 HA2 GLY 41 2HA GLY 41 3.576 9.082 -1.618 270 HA3 GLY 41 1HA GLY 41 1.948 9.737 -1.663 271 H THR 42 HN THR 42 1.233 6.935 -0.361 272 HA THR 42 HA THR 42 1.595 7.959 2.353 273 HB THR 42 HB THR 42 -0.309 5.861 1.291 274 HG1 THR 42 1HG THR 42 -1.240 8.212 2.454 275 HG21 THR 42 1HG2 THR 42 -0.105 7.063 4.056 276 HG22 THR 42 2HG2 THR 42 0.320 5.410 3.618 277 HG23 THR 42 3HG2 THR 42 -1.356 5.951 3.503 278 H ALA 43 HN ALA 43 2.668 6.857 3.882 279 HA ALA 43 HA ALA 43 4.168 4.493 2.976 280 HB1 ALA 43 1HB ALA 43 4.736 6.395 5.257 281 HB2 ALA 43 2HB ALA 43 5.487 6.449 3.663 282 HB3 ALA 43 3HB ALA 43 5.767 5.067 4.722 283 H CYS 44 HN CYS 44 3.684 2.643 3.701 284 HA CYS 44 HA CYS 44 2.519 2.327 6.382 285 HB2 CYS 44 3HB CYS 44 1.363 0.320 5.441 286 HB3 CYS 44 2HB CYS 44 0.774 1.866 4.836 287 H SER 45 HN SER 45 3.717 1.184 7.690 288 HA SER 45 HA SER 45 6.031 -0.212 6.651 289 HB2 SER 45 3HB SER 45 6.375 -0.655 9.182 290 HB3 SER 45 2HB SER 45 6.529 1.009 8.613 291 HG SER 45 HG SER 45 4.711 1.544 9.609 292 H SER 46 HN SER 46 2.845 -0.843 7.737 293 HA SER 46 HA SER 46 3.389 -3.719 7.507 294 HB2 SER 46 3HB SER 46 1.056 -2.359 8.877 295 HB3 SER 46 2HB SER 46 1.383 -4.091 8.848 296 HG SER 46 HG SER 46 3.422 -3.544 9.907 297 H ASP 47 HN ASP 47 2.300 -4.811 5.967 298 HA ASP 47 HA ASP 47 1.086 -3.620 3.788 299 HB2 ASP 47 3HB ASP 47 1.063 -6.453 4.789 300 HB3 ASP 47 2HB ASP 47 0.212 -5.991 3.321 301 H ALA 48 HN ALA 48 -0.452 -4.981 6.694 302 HA ALA 48 HA ALA 48 -2.952 -5.338 5.643 303 HB1 ALA 48 1HB ALA 48 -2.229 -6.294 7.760 304 HB2 ALA 48 2HB ALA 48 -3.741 -5.409 7.945 305 HB3 ALA 48 3HB ALA 48 -2.227 -4.689 8.487 306 H GLN 49 HN GLN 49 -1.450 -2.439 6.875 307 HA GLN 49 HA GLN 49 -3.924 -1.021 7.129 308 HB2 GLN 49 3HB GLN 49 -2.588 0.899 7.749 309 HB3 GLN 49 2HB GLN 49 -2.029 -0.525 8.603 310 HG2 GLN 49 3HG GLN 49 -0.290 -0.672 6.674 311 HG3 GLN 49 2HG GLN 49 -0.704 1.020 6.429 312 HE21 GLN 49 1HE2 GLN 49 -0.682 -0.581 9.543 313 HE22 GLN 49 2HE2 GLN 49 0.663 0.298 10.190 314 H CYS 50 HN CYS 50 -1.790 -1.688 4.535 315 HA CYS 50 HA CYS 50 -2.755 0.611 2.982 316 HB2 CYS 50 3HB CYS 50 -0.371 -0.010 2.687 317 HB3 CYS 50 2HB CYS 50 -0.878 -1.600 2.139 318 H ARG 51 HN ARG 51 -2.624 -2.914 2.862 319 HA ARG 51 HA ARG 51 -4.503 -3.462 0.964 320 HB2 ARG 51 3HB ARG 51 -3.386 -5.276 1.940 321 HB3 ARG 51 2HB ARG 51 -3.779 -4.761 3.574 322 HG2 ARG 51 3HG ARG 51 -5.020 -6.741 2.947 323 HG3 ARG 51 2HG ARG 51 -6.074 -5.353 3.235 324 HD2 ARG 51 3HD ARG 51 -6.313 -4.989 0.859 325 HD3 ARG 51 2HD ARG 51 -5.153 -6.270 0.509 326 HE ARG 51 HE ARG 51 -6.969 -7.658 1.821 327 HH11 ARG 51 1HH1 ARG 51 -7.452 -5.168 -0.593 328 HH12 ARG 51 2HH1 ARG 51 -8.949 -5.835 -1.160 329 HH21 ARG 51 1HH2 ARG 51 -8.928 -8.540 1.067 330 HH22 ARG 51 2HH2 ARG 51 -9.787 -7.757 -0.222 331 H ALA 52 HN ALA 52 -5.124 -2.724 4.415 332 HA ALA 52 HA ALA 52 -7.964 -2.778 4.116 333 HB1 ALA 52 1HB ALA 52 -6.884 -3.188 6.275 334 HB2 ALA 52 2HB ALA 52 -8.047 -1.867 6.368 335 HB3 ALA 52 3HB ALA 52 -6.319 -1.519 6.306 336 H ARG 53 HN ARG 53 -5.515 -0.339 3.682 337 HA ARG 53 HA ARG 53 -7.312 1.869 3.661 338 HB2 ARG 53 3HB ARG 53 -4.935 2.236 4.014 339 HB3 ARG 53 2HB ARG 53 -4.570 1.589 2.426 340 HG2 ARG 53 3HG ARG 53 -5.630 3.447 1.354 341 HG3 ARG 53 2HG ARG 53 -6.238 4.045 2.896 342 HD2 ARG 53 3HD ARG 53 -3.320 3.778 2.194 343 HD3 ARG 53 2HD ARG 53 -4.248 5.267 2.047 344 HE ARG 53 HE ARG 53 -3.878 3.893 4.632 345 HH11 ARG 53 1HH1 ARG 53 -3.844 6.794 2.664 346 HH12 ARG 53 2HH1 ARG 53 -3.413 7.842 3.979 347 HH21 ARG 53 1HH2 ARG 53 -3.347 5.270 6.373 348 HH22 ARG 53 2HH2 ARG 53 -3.160 6.973 6.097 349 H GLY 54 HN GLY 54 -6.627 -0.644 1.472 350 HA2 GLY 54 2HA GLY 54 -8.302 -1.131 -0.171 351 HA3 GLY 54 1HA GLY 54 -8.539 0.596 -0.385 352 H CYS 55 HN CYS 55 -5.311 0.369 -0.219 353 HA CYS 55 HA CYS 55 -5.064 0.521 -3.064 354 HB2 CYS 55 3HB CYS 55 -2.911 0.581 -0.954 355 HB3 CYS 55 2HB CYS 55 -2.631 0.840 -2.674 356 H ASP 56 HN ASP 56 -2.971 -1.748 -1.109 357 HA ASP 56 HA ASP 56 -3.980 -4.089 -2.229 358 HB2 ASP 56 3HB ASP 56 -3.259 -3.374 -4.407 359 HB3 ASP 56 2HB ASP 56 -1.701 -2.840 -3.792 360 H GLY 57 HN GLY 57 -0.760 -2.567 -1.700 361 HA2 GLY 57 2HA GLY 57 -0.331 -4.174 0.630 362 HA3 GLY 57 1HA GLY 57 0.586 -4.724 -0.766 363 H CYS 58 HN CYS 58 1.995 -4.031 1.263 364 HA CYS 58 HA CYS 58 2.934 -1.299 0.732 365 HB2 CYS 58 3HB CYS 58 3.225 -3.058 3.170 366 HB3 CYS 58 2HB CYS 58 3.940 -1.448 3.003 367 H SER 59 HN SER 59 4.876 -1.048 -0.204 368 HA SER 59 HA SER 59 6.203 -3.569 -0.896 369 HB2 SER 59 3HB SER 59 6.351 -0.822 -2.135 370 HB3 SER 59 2HB SER 59 7.401 -2.153 -2.623 371 HG SER 59 HG SER 59 5.312 -1.777 -3.797 372 H THR 60 HN THR 60 8.676 -3.317 -1.304 373 HA THR 60 HA THR 60 10.120 -3.126 0.989 374 HB THR 60 HB THR 60 11.988 -2.188 -0.695 375 HG1 THR 60 1HG THR 60 11.186 -1.975 -2.635 376 HG21 THR 60 1HG2 THR 60 11.994 -4.403 0.352 377 HG22 THR 60 2HG2 THR 60 12.402 -4.516 -1.360 378 HG23 THR 60 3HG2 THR 60 10.790 -4.964 -0.807 379 H SER 61 HN SER 61 9.119 -0.272 -0.902 380 HA SER 61 HA SER 61 10.890 1.479 0.490 381 HB2 SER 61 3HB SER 61 8.569 2.281 -1.246 382 HB3 SER 61 2HB SER 61 10.043 3.188 -0.920 383 HG SER 61 HG SER 61 11.027 1.125 -1.933 384 H GLY 62 HN GLY 62 8.195 -0.025 1.494 385 HA2 GLY 62 2HA GLY 62 6.742 0.324 3.225 386 HA3 GLY 62 1HA GLY 62 7.733 1.701 3.680 387 H VAL 63 HN VAL 63 6.036 1.207 0.644 388 HA VAL 63 HA VAL 63 4.445 3.619 1.218 389 HB VAL 63 HB VAL 63 4.437 4.083 -1.209 390 HG11 VAL 63 1HG1 VAL 63 6.144 5.102 0.180 391 HG12 VAL 63 2HG1 VAL 63 6.768 4.758 -1.432 392 HG13 VAL 63 3HG1 VAL 63 7.200 3.714 -0.078 393 HG21 VAL 63 1HG2 VAL 63 4.688 1.742 -1.978 394 HG22 VAL 63 2HG2 VAL 63 6.376 1.790 -1.470 395 HG23 VAL 63 3HG2 VAL 63 5.813 2.854 -2.755 396 H CYS 64 HN CYS 64 2.336 3.659 -0.171 397 HA CYS 64 HA CYS 64 1.063 1.034 0.349 398 HB2 CYS 64 3HB CYS 64 0.189 3.252 1.414 399 HB3 CYS 64 2HB CYS 64 -0.320 3.677 -0.195 400 H VAL 65 HN VAL 65 0.939 -0.170 -1.546 401 HA VAL 65 HA VAL 65 0.207 1.213 -4.015 402 HB VAL 65 HB VAL 65 2.250 0.361 -5.205 403 HG11 VAL 65 1HG1 VAL 65 3.747 2.102 -4.370 404 HG12 VAL 65 2HG1 VAL 65 2.692 2.300 -2.970 405 HG13 VAL 65 3HG1 VAL 65 2.093 2.673 -4.586 406 HG21 VAL 65 1HG2 VAL 65 2.884 -1.358 -3.588 407 HG22 VAL 65 2HG2 VAL 65 3.265 -0.104 -2.408 408 HG23 VAL 65 3HG2 VAL 65 4.208 -0.234 -3.891 409 H LEU 66 HN LEU 66 0.278 -0.358 -5.923 410 HA LEU 66 HA LEU 66 -0.470 -3.040 -5.281 411 HB2 LEU 66 3HB LEU 66 0.770 -2.026 -7.847 412 HB3 LEU 66 2HB LEU 66 -0.138 -3.509 -7.634 413 HG LEU 66 HG LEU 66 -1.284 -0.726 -7.399 414 HD11 LEU 66 1HD1 LEU 66 -0.658 -1.260 -9.687 415 HD12 LEU 66 2HD1 LEU 66 -2.411 -1.255 -9.505 416 HD13 LEU 66 3HD1 LEU 66 -1.537 -2.784 -9.586 417 HD21 LEU 66 1HD2 LEU 66 -2.601 -3.438 -7.330 418 HD22 LEU 66 2HD2 LEU 66 -3.451 -1.895 -7.400 419 HD23 LEU 66 3HD2 LEU 66 -2.471 -2.298 -5.991 420 H SER 67 HN SER 67 1.099 -3.706 -3.786 421 HA SER 67 HA SER 67 3.819 -3.298 -3.878 422 HB2 SER 67 3HB SER 67 3.877 -5.539 -2.504 423 HB3 SER 67 2HB SER 67 3.067 -4.124 -1.838 424 HG SER 67 HG SER 67 1.262 -5.391 -3.279 425 H SER 68 HN SER 68 5.645 -4.419 -4.841 426 HA SER 68 HA SER 68 4.951 -6.679 -6.565 427 HB2 SER 68 3HB SER 68 5.065 -4.582 -7.935 428 HB3 SER 68 2HB SER 68 6.736 -4.378 -7.410 429 HG SER 68 HG SER 68 7.315 -6.181 -8.531 430 H LEU 69 HN LEU 69 6.046 -8.303 -5.708 431 HA LEU 69 HA LEU 69 8.902 -8.177 -5.433 432 HB2 LEU 69 3HB LEU 69 8.131 -7.135 -3.312 433 HB3 LEU 69 2HB LEU 69 7.228 -8.592 -2.949 434 HG LEU 69 HG LEU 69 9.348 -9.864 -2.861 435 HD11 LEU 69 1HD1 LEU 69 11.470 -8.654 -2.795 436 HD12 LEU 69 2HD1 LEU 69 10.632 -7.156 -3.197 437 HD13 LEU 69 3HD1 LEU 69 10.679 -8.479 -4.361 438 HD21 LEU 69 1HD2 LEU 69 10.131 -8.925 -0.742 439 HD22 LEU 69 2HD2 LEU 69 8.370 -8.953 -0.823 440 HD23 LEU 69 3HD2 LEU 69 9.240 -7.439 -1.069 441 H HIS 70 HN HIS 70 6.002 -9.940 -4.387 442 HA HIS 70 HA HIS 70 7.200 -12.359 -5.548 443 HB2 HIS 70 3HB HIS 70 5.906 -13.692 -3.879 444 HB3 HIS 70 2HB HIS 70 7.168 -12.700 -3.170 445 HD1 HIS 70 1HD HIS 70 3.501 -13.246 -3.169 446 HD2 HIS 70 2HD HIS 70 6.223 -10.512 -1.619 447 HE1 HIS 70 1HE HIS 70 2.242 -11.960 -1.414 448 HE2 HIS 70 2HE HIS 70 3.884 -10.258 -0.547 449 H HIS 71 HN HIS 71 6.203 -12.810 -7.354 450 HA HIS 71 HA HIS 71 3.488 -11.893 -7.810 451 HB2 HIS 71 3HB HIS 71 5.333 -13.437 -9.652 452 HB3 HIS 71 2HB HIS 71 3.824 -12.659 -10.111 453 HD1 HIS 71 1HD HIS 71 3.865 -10.094 -10.446 454 HD2 HIS 71 2HD HIS 71 7.532 -11.722 -9.359 455 HE1 HIS 71 1HE HIS 71 5.561 -8.289 -10.872 456 HE2 HIS 71 2HE HIS 71 7.786 -9.361 -10.381 457 H HIS 72 HN HIS 72 1.855 -13.132 -7.103 458 HA HIS 72 HA HIS 72 2.302 -15.913 -6.513 459 HB2 HIS 72 3HB HIS 72 -0.055 -15.921 -5.721 460 HB3 HIS 72 2HB HIS 72 0.939 -14.691 -4.959 461 HD1 HIS 72 1HD HIS 72 0.016 -12.386 -4.953 462 HD2 HIS 72 2HD HIS 72 -1.854 -14.802 -7.769 463 HE1 HIS 72 1HE HIS 72 -1.911 -11.036 -5.831 464 HE2 HIS 72 2HE HIS 72 -3.122 -12.580 -7.400 465 H HIS 73 HN HIS 73 2.728 -15.574 -9.142 466 HA HIS 73 HA HIS 73 0.431 -16.178 -10.743 467 HB2 HIS 73 3HB HIS 73 2.342 -14.980 -11.689 468 HB3 HIS 73 2HB HIS 73 3.396 -16.341 -11.340 469 HD1 HIS 73 1HD HIS 73 3.445 -18.252 -13.010 470 HD2 HIS 73 2HD HIS 73 0.580 -15.373 -13.890 471 HE1 HIS 73 1HE HIS 73 2.630 -18.796 -15.324 472 HE2 HIS 73 2HE HIS 73 0.968 -16.985 -15.877 473 H HIS 74 HN HIS 74 -0.530 -18.047 -9.994 474 HA HIS 74 HA HIS 74 1.119 -20.487 -10.162 475 HB2 HIS 74 3HB HIS 74 -1.161 -19.908 -8.264 476 HB3 HIS 74 2HB HIS 74 -0.359 -21.468 -8.421 477 HD1 HIS 74 1HD HIS 74 -0.324 -18.601 -6.348 478 HD2 HIS 74 2HD HIS 74 2.636 -21.046 -7.944 479 HE1 HIS 74 1HE HIS 74 1.715 -18.208 -4.938 480 HE2 HIS 74 2HE HIS 74 3.526 -19.591 -5.997 481 H HIS 75 HN HIS 75 -1.142 -18.836 -11.751 482 HA HIS 75 HA HIS 75 -2.468 -21.291 -12.694 483 HB2 HIS 75 3HB HIS 75 -3.589 -18.482 -12.576 484 HB3 HIS 75 2HB HIS 75 -4.377 -19.835 -13.383 485 HD1 HIS 75 1HD HIS 75 -4.303 -18.105 -10.242 486 HD2 HIS 75 2HD HIS 75 -4.904 -22.040 -11.433 487 HE1 HIS 75 1HE HIS 75 -5.451 -19.229 -8.308 488 HE2 HIS 75 2HE HIS 75 -5.678 -21.639 -8.999 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -18.856 7.913 9.112 2 H2 MET 1 2HT MET 1 -17.183 8.046 9.241 3 H3 MET 1 3HT MET 1 -18.166 8.518 10.535 4 HA MET 1 HA MET 1 -17.208 6.418 11.059 5 HB2 MET 1 3HB MET 1 -20.100 6.137 10.205 6 HB3 MET 1 2HB MET 1 -19.262 5.040 11.292 7 HG2 MET 1 3HG MET 1 -19.798 7.959 11.791 8 HG3 MET 1 2HG MET 1 -20.666 6.605 12.509 9 HE1 MET 1 1HE MET 1 -19.685 4.992 14.317 10 HE2 MET 1 2HE MET 1 -18.004 5.004 14.850 11 HE3 MET 1 3HE MET 1 -18.402 4.518 13.203 12 H CYS 2 HN CYS 2 -18.129 3.910 10.362 13 HA CYS 2 HA CYS 2 -17.798 2.164 8.959 14 HB2 CYS 2 3HB CYS 2 -19.510 3.463 7.629 15 HB3 CYS 2 2HB CYS 2 -18.176 4.129 6.697 16 HG CYS 2 HG CYS 2 -18.421 2.291 4.923 17 H GLU 3 HN GLU 3 -15.557 3.726 9.852 18 HA GLU 3 HA GLU 3 -13.356 4.133 9.519 19 HB2 GLU 3 3HB GLU 3 -13.663 1.657 7.822 20 HB3 GLU 3 2HB GLU 3 -12.114 2.356 8.276 21 HG2 GLU 3 3HG GLU 3 -12.869 2.105 10.680 22 HG3 GLU 3 2HG GLU 3 -14.182 1.111 10.054 23 H PHE 4 HN PHE 4 -14.811 5.816 8.085 24 HA PHE 4 HA PHE 4 -13.159 6.207 5.667 25 HB2 PHE 4 3HB PHE 4 -15.452 5.356 5.043 26 HB3 PHE 4 2HB PHE 4 -16.136 6.789 5.798 27 HD1 PHE 4 1HD PHE 4 -16.816 8.394 4.313 28 HD2 PHE 4 2HD PHE 4 -13.376 6.065 3.386 29 HE1 PHE 4 1HE PHE 4 -16.552 9.630 2.204 30 HE2 PHE 4 2HE PHE 4 -13.107 7.297 1.275 31 HZ PHE 4 HZ PHE 4 -14.696 9.082 0.680 32 H ILE 5 HN ILE 5 -12.638 7.132 8.110 33 HA ILE 5 HA ILE 5 -13.028 9.991 7.850 34 HB ILE 5 HB ILE 5 -13.466 10.376 10.239 35 HG12 ILE 5 3HG1 ILE 5 -12.715 8.246 11.222 36 HG13 ILE 5 2HG1 ILE 5 -14.352 8.643 11.690 37 HG21 ILE 5 1HG2 ILE 5 -15.847 9.795 10.190 38 HG22 ILE 5 2HG2 ILE 5 -15.542 8.755 8.800 39 HG23 ILE 5 3HG2 ILE 5 -15.273 10.494 8.676 40 HD11 ILE 5 1HD1 ILE 5 -13.569 6.630 9.602 41 HD12 ILE 5 2HD1 ILE 5 -15.216 7.033 10.083 42 HD13 ILE 5 3HD1 ILE 5 -14.118 6.280 11.240 43 H GLU 6 HN GLU 6 -11.553 7.903 10.337 44 HA GLU 6 HA GLU 6 -9.401 7.798 11.161 45 HB2 GLU 6 3HB GLU 6 -8.675 9.101 8.528 46 HB3 GLU 6 2HB GLU 6 -7.541 8.394 9.669 47 HG2 GLU 6 3HG GLU 6 -8.437 6.207 9.303 48 HG3 GLU 6 2HG GLU 6 -9.744 6.860 8.316 49 H ASP 7 HN ASP 7 -11.183 10.108 11.514 50 HA ASP 7 HA ASP 7 -9.149 12.096 12.276 51 HB2 ASP 7 3HB ASP 7 -10.660 12.915 10.496 52 HB3 ASP 7 2HB ASP 7 -12.044 12.594 11.534 53 H SER 8 HN SER 8 -11.338 9.832 13.338 54 HA SER 8 HA SER 8 -12.521 11.195 15.545 55 HB2 SER 8 3HB SER 8 -12.245 8.208 15.181 56 HB3 SER 8 2HB SER 8 -13.464 9.069 16.122 57 HG SER 8 HG SER 8 -14.093 8.296 13.961 58 H GLU 9 HN GLU 9 -9.411 10.219 15.075 59 HA GLU 9 HA GLU 9 -8.826 9.102 17.648 60 HB2 GLU 9 3HB GLU 9 -6.993 10.210 15.515 61 HB3 GLU 9 2HB GLU 9 -6.467 9.339 16.947 62 HG2 GLU 9 3HG GLU 9 -7.714 7.365 16.183 63 HG3 GLU 9 2HG GLU 9 -8.171 8.243 14.723 64 H ASP 10 HN ASP 10 -9.297 12.256 16.469 65 HA ASP 10 HA ASP 10 -7.570 13.515 18.423 66 HB2 ASP 10 3HB ASP 10 -7.900 14.569 16.207 67 HB3 ASP 10 2HB ASP 10 -9.608 14.783 16.581 68 H ILE 11 HN ILE 11 -8.298 12.947 20.393 69 HA ILE 11 HA ILE 11 -11.087 13.169 21.106 70 HB ILE 11 HB ILE 11 -8.737 12.688 22.946 71 HG12 ILE 11 3HG1 ILE 11 -10.421 10.641 21.483 72 HG13 ILE 11 2HG1 ILE 11 -8.757 11.052 21.085 73 HG21 ILE 11 1HG2 ILE 11 -10.806 13.281 24.078 74 HG22 ILE 11 2HG2 ILE 11 -10.409 11.587 24.363 75 HG23 ILE 11 3HG2 ILE 11 -11.666 12.015 23.202 76 HD11 ILE 11 1HD1 ILE 11 -9.704 9.826 23.665 77 HD12 ILE 11 2HD1 ILE 11 -8.035 10.232 23.265 78 HD13 ILE 11 3HD1 ILE 11 -8.882 8.984 22.350 79 H GLN 12 HN GLN 12 -8.248 15.111 21.212 80 HA GLN 12 HA GLN 12 -8.979 16.757 23.418 81 HB2 GLN 12 3HB GLN 12 -6.965 17.126 21.206 82 HB3 GLN 12 2HB GLN 12 -7.200 18.304 22.489 83 HG2 GLN 12 3HG GLN 12 -6.331 15.441 22.834 84 HG3 GLN 12 2HG GLN 12 -5.323 16.875 22.989 85 HE21 GLN 12 1HE2 GLN 12 -5.989 14.742 24.909 86 HE22 GLN 12 2HE2 GLN 12 -6.627 15.554 26.294 87 H GLY 13 HN GLY 13 -9.448 16.983 19.925 88 HA2 GLY 13 2HA GLY 13 -10.608 19.585 19.989 89 HA3 GLY 13 1HA GLY 13 -10.760 18.413 18.687 90 H LEU 14 HN LEU 14 -11.817 16.349 20.432 91 HA LEU 14 HA LEU 14 -13.828 15.481 21.006 92 HB2 LEU 14 3HB LEU 14 -13.437 16.943 22.969 93 HB3 LEU 14 2HB LEU 14 -14.317 18.226 22.163 94 HG LEU 14 HG LEU 14 -16.350 16.793 22.176 95 HD11 LEU 14 1HD1 LEU 14 -15.283 14.613 22.261 96 HD12 LEU 14 2HD1 LEU 14 -16.390 14.818 23.618 97 HD13 LEU 14 3HD1 LEU 14 -14.651 14.968 23.869 98 HD21 LEU 14 1HD2 LEU 14 -15.093 17.294 24.868 99 HD22 LEU 14 2HD2 LEU 14 -16.811 17.039 24.564 100 HD23 LEU 14 3HD2 LEU 14 -16.000 18.462 23.909 101 H LYS 15 HN LYS 15 -14.108 15.606 18.592 102 HA LYS 15 HA LYS 15 -16.244 17.482 17.852 103 HB2 LYS 15 3HB LYS 15 -14.088 17.418 16.498 104 HB3 LYS 15 2HB LYS 15 -14.585 15.823 15.949 105 HG2 LYS 15 3HG LYS 15 -15.137 17.531 14.316 106 HG3 LYS 15 2HG LYS 15 -16.595 16.775 14.959 107 HD2 LYS 15 3HD LYS 15 -16.966 18.667 16.425 108 HD3 LYS 15 2HD LYS 15 -15.456 19.407 15.892 109 HE2 LYS 15 3HE LYS 15 -16.341 19.578 13.622 110 HE3 LYS 15 2HE LYS 15 -17.847 18.825 14.148 111 HZ1 LYS 15 1HZ LYS 15 -18.078 21.209 14.053 112 HZ2 LYS 15 2HZ LYS 15 -16.771 21.423 15.100 113 HZ3 LYS 15 3HZ LYS 15 -18.188 20.693 15.659 114 H SER 16 HN SER 16 -16.472 14.952 19.382 115 HA SER 16 HA SER 16 -17.882 13.124 17.674 116 HB2 SER 16 3HB SER 16 -18.515 12.138 19.993 117 HB3 SER 16 2HB SER 16 -16.829 12.071 19.479 118 HG SER 16 HG SER 16 -16.306 13.352 21.056 119 H LEU 17 HN LEU 17 -18.838 15.828 17.667 120 HA LEU 17 HA LEU 17 -21.516 15.566 18.870 121 HB2 LEU 17 3HB LEU 17 -20.052 18.048 17.991 122 HB3 LEU 17 2HB LEU 17 -21.619 18.004 18.775 123 HG LEU 17 HG LEU 17 -19.051 17.075 20.062 124 HD11 LEU 17 1HD1 LEU 17 -19.177 19.138 21.361 125 HD12 LEU 17 2HD1 LEU 17 -20.564 19.657 20.406 126 HD13 LEU 17 3HD1 LEU 17 -18.987 19.470 19.641 127 HD21 LEU 17 1HD2 LEU 17 -20.378 17.140 22.122 128 HD22 LEU 17 2HD2 LEU 17 -21.038 15.993 20.956 129 HD23 LEU 17 3HD2 LEU 17 -21.808 17.563 21.181 130 H ARG 18 HN ARG 18 -20.411 14.541 16.316 131 HA ARG 18 HA ARG 18 -22.249 15.885 14.458 132 HB2 ARG 18 3HB ARG 18 -20.638 15.455 12.619 133 HB3 ARG 18 2HB ARG 18 -20.017 16.570 13.825 134 HG2 ARG 18 3HG ARG 18 -18.668 14.780 14.797 135 HG3 ARG 18 2HG ARG 18 -19.309 13.648 13.604 136 HD2 ARG 18 3HD ARG 18 -18.278 14.887 11.820 137 HD3 ARG 18 2HD ARG 18 -17.766 16.150 12.943 138 HE ARG 18 HE ARG 18 -16.796 13.463 13.479 139 HH11 ARG 18 1HH1 ARG 18 -16.145 16.589 12.054 140 HH12 ARG 18 2HH1 ARG 18 -14.419 16.402 12.134 141 HH21 ARG 18 1HH2 ARG 18 -14.537 13.205 13.565 142 HH22 ARG 18 2HH2 ARG 18 -13.497 14.468 12.971 143 H LYS 19 HN LYS 19 -23.001 13.786 15.978 144 HA LYS 19 HA LYS 19 -22.555 11.230 14.873 145 HB2 LYS 19 3HB LYS 19 -23.365 11.549 17.152 146 HB3 LYS 19 2HB LYS 19 -24.853 12.260 16.550 147 HG2 LYS 19 3HG LYS 19 -25.512 10.150 15.578 148 HG3 LYS 19 2HG LYS 19 -23.983 9.419 16.071 149 HD2 LYS 19 3HD LYS 19 -24.533 9.633 18.379 150 HD3 LYS 19 2HD LYS 19 -25.930 10.646 18.015 151 HE2 LYS 19 3HE LYS 19 -25.635 7.765 17.177 152 HE3 LYS 19 2HE LYS 19 -26.515 8.307 18.604 153 HZ1 LYS 19 1HZ LYS 19 -28.017 7.951 16.764 154 HZ2 LYS 19 2HZ LYS 19 -27.147 9.026 15.793 155 HZ3 LYS 19 3HZ LYS 19 -27.974 9.594 17.153 156 H SER 20 HN SER 20 -24.665 13.811 13.974 157 HA SER 20 HA SER 20 -25.823 12.078 11.882 158 HB2 SER 20 3HB SER 20 -27.509 12.738 13.608 159 HB3 SER 20 2HB SER 20 -27.208 14.430 13.217 160 HG SER 20 HG SER 20 -28.080 14.136 11.223 161 H HIS 21 HN HIS 21 -24.590 15.263 12.792 162 HA HIS 21 HA HIS 21 -24.953 16.404 10.178 163 HB2 HIS 21 3HB HIS 21 -25.004 17.661 12.388 164 HB3 HIS 21 2HB HIS 21 -23.255 17.491 12.429 165 HD1 HIS 21 1HD HIS 21 -23.168 20.131 12.389 166 HD2 HIS 21 2HD HIS 21 -24.721 18.372 8.960 167 HE1 HIS 21 1HE HIS 21 -23.170 21.938 10.644 168 HE2 HIS 21 2HE HIS 21 -24.255 20.894 8.622 169 H THR 22 HN THR 22 -23.024 14.024 10.990 170 HA THR 22 HA THR 22 -20.358 14.509 10.623 171 HB THR 22 HB THR 22 -21.399 12.306 8.905 172 HG1 THR 22 1HG THR 22 -21.756 12.374 11.747 173 HG21 THR 22 1HG2 THR 22 -19.419 12.417 11.183 174 HG22 THR 22 2HG2 THR 22 -19.017 12.528 9.469 175 HG23 THR 22 3HG2 THR 22 -19.707 11.040 10.119 176 H SER 23 HN SER 23 -22.652 14.351 7.811 177 HA SER 23 HA SER 23 -21.155 16.296 6.410 178 HB2 SER 23 3HB SER 23 -19.725 14.197 6.113 179 HB3 SER 23 2HB SER 23 -21.062 13.530 5.178 180 HG SER 23 HG SER 23 -19.222 15.492 4.514 181 H LEU 24 HN LEU 24 -23.715 16.268 7.169 182 HA LEU 24 HA LEU 24 -25.380 15.214 5.030 183 HB2 LEU 24 3HB LEU 24 -25.990 15.018 7.466 184 HB3 LEU 24 2HB LEU 24 -26.214 16.751 7.496 185 HG LEU 24 HG LEU 24 -27.786 15.042 5.585 186 HD11 LEU 24 1HD1 LEU 24 -28.089 14.084 7.815 187 HD12 LEU 24 2HD1 LEU 24 -29.551 14.901 7.261 188 HD13 LEU 24 3HD1 LEU 24 -28.502 15.679 8.445 189 HD21 LEU 24 1HD2 LEU 24 -27.816 17.486 5.288 190 HD22 LEU 24 2HD2 LEU 24 -28.380 17.669 6.948 191 HD23 LEU 24 3HD2 LEU 24 -29.395 16.856 5.758 192 H GLU 25 HN GLU 25 -24.621 18.339 6.531 193 HA GLU 25 HA GLU 25 -24.808 19.699 4.039 194 HB2 GLU 25 3HB GLU 25 -27.218 19.496 4.599 195 HB3 GLU 25 2HB GLU 25 -26.917 20.348 6.107 196 HG2 GLU 25 3HG GLU 25 -26.195 22.316 4.851 197 HG3 GLU 25 2HG GLU 25 -26.505 21.462 3.341 198 H ASP 26 HN ASP 26 -22.745 20.290 4.602 199 HA ASP 26 HA ASP 26 -22.546 22.749 5.993 200 HB2 ASP 26 3HB ASP 26 -20.878 22.051 7.681 201 HB3 ASP 26 2HB ASP 26 -22.462 21.364 7.983 202 H ASP 27 HN ASP 27 -20.574 23.745 5.677 203 HA ASP 27 HA ASP 27 -19.160 22.700 3.352 204 HB2 ASP 27 3HB ASP 27 -19.181 25.425 4.653 205 HB3 ASP 27 2HB ASP 27 -18.128 25.009 3.304 206 H ASP 28 HN ASP 28 -18.884 22.359 6.514 207 HA ASP 28 HA ASP 28 -16.087 22.841 6.910 208 HB2 ASP 28 3HB ASP 28 -17.556 23.056 8.815 209 HB3 ASP 28 2HB ASP 28 -18.154 21.418 8.584 210 H ASP 29 HN ASP 29 -18.055 19.931 7.008 211 HA ASP 29 HA ASP 29 -17.551 17.722 6.668 212 HB2 ASP 29 3HB ASP 29 -17.540 18.687 4.334 213 HB3 ASP 29 2HB ASP 29 -15.790 18.807 4.454 214 H GLY 30 HN GLY 30 -16.153 18.703 8.738 215 HA2 GLY 30 2HA GLY 30 -13.324 18.231 8.469 216 HA3 GLY 30 1HA GLY 30 -14.189 18.594 9.953 217 H SER 31 HN SER 31 -15.784 16.141 8.475 218 HA SER 31 HA SER 31 -14.860 14.169 10.333 219 HB2 SER 31 3HB SER 31 -16.750 13.818 7.995 220 HB3 SER 31 2HB SER 31 -16.617 12.788 9.421 221 HG SER 31 HG SER 31 -18.192 14.854 9.112 222 H ARG 32 HN ARG 32 -12.941 15.145 8.328 223 HA ARG 32 HA ARG 32 -12.314 12.608 7.018 224 HB2 ARG 32 3HB ARG 32 -11.648 13.706 4.970 225 HB3 ARG 32 2HB ARG 32 -13.308 14.137 5.340 226 HG2 ARG 32 3HG ARG 32 -12.568 16.319 6.156 227 HG3 ARG 32 2HG ARG 32 -10.894 15.877 5.820 228 HD2 ARG 32 3HD ARG 32 -11.548 15.576 3.432 229 HD3 ARG 32 2HD ARG 32 -13.134 16.224 3.842 230 HE ARG 32 HE ARG 32 -10.596 17.712 3.994 231 HH11 ARG 32 1HH1 ARG 32 -14.096 17.654 3.790 232 HH12 ARG 32 2HH1 ARG 32 -14.220 19.357 3.459 233 HH21 ARG 32 1HH2 ARG 32 -10.766 19.949 3.582 234 HH22 ARG 32 2HH2 ARG 32 -12.332 20.658 3.341 235 H GLY 33 HN GLY 33 -10.383 11.911 7.660 236 HA2 GLY 33 2HA GLY 33 -8.313 13.928 8.257 237 HA3 GLY 33 1HA GLY 33 -8.533 12.491 9.247 238 H GLY 34 HN GLY 34 -9.013 10.646 7.174 239 HA2 GLY 34 2HA GLY 34 -6.285 10.282 6.239 240 HA3 GLY 34 1HA GLY 34 -7.584 9.103 6.159 241 H ASP 35 HN ASP 35 -6.935 12.352 4.875 242 HA ASP 35 HA ASP 35 -8.395 11.815 2.459 243 HB2 ASP 35 3HB ASP 35 -6.568 14.160 3.078 244 HB3 ASP 35 2HB ASP 35 -7.623 14.018 1.683 245 H CYS 36 HN CYS 36 -5.276 11.064 3.454 246 HA CYS 36 HA CYS 36 -3.930 11.247 0.961 247 HB2 CYS 36 3HB CYS 36 -2.365 9.553 2.086 248 HB3 CYS 36 2HB CYS 36 -2.549 11.120 2.867 249 HG CYS 36 HG CYS 36 -3.252 10.205 5.154 250 H GLU 37 HN GLU 37 -5.282 10.357 -0.603 251 HA GLU 37 HA GLU 37 -5.699 7.444 -0.423 252 HB2 GLU 37 3HB GLU 37 -7.718 9.195 -0.256 253 HB3 GLU 37 2HB GLU 37 -7.582 9.132 -2.006 254 HG2 GLU 37 3HG GLU 37 -7.926 6.695 -0.276 255 HG3 GLU 37 2HG GLU 37 -9.268 7.587 -0.986 256 H GLY 38 HN GLY 38 -3.422 8.335 -1.489 257 HA2 GLY 38 2HA GLY 38 -3.853 8.208 -4.403 258 HA3 GLY 38 1HA GLY 38 -2.409 8.846 -3.630 259 H CYS 39 HN CYS 39 -1.914 6.839 -1.772 260 HA CYS 39 HA CYS 39 -0.842 4.891 -1.522 261 HB2 CYS 39 3HB CYS 39 -2.806 4.043 -3.645 262 HB3 CYS 39 2HB CYS 39 -1.692 2.924 -2.863 263 H SER 40 HN SER 40 1.038 5.863 -2.168 264 HA SER 40 HA SER 40 2.699 4.608 -3.910 265 HB2 SER 40 3HB SER 40 0.934 5.664 -5.515 266 HB3 SER 40 2HB SER 40 1.844 7.152 -5.256 267 HG SER 40 HG SER 40 2.663 6.076 -7.061 268 H GLY 41 HN GLY 41 1.581 7.756 -2.902 269 HA2 GLY 41 2HA GLY 41 4.300 8.300 -1.784 270 HA3 GLY 41 1HA GLY 41 3.133 9.576 -2.134 271 H THR 42 HN THR 42 2.297 6.486 -0.688 272 HA THR 42 HA THR 42 1.704 7.872 1.848 273 HB THR 42 HB THR 42 0.228 5.454 0.795 274 HG1 THR 42 1HG THR 42 -0.464 8.213 0.482 275 HG21 THR 42 1HG2 THR 42 -0.504 7.550 2.848 276 HG22 THR 42 2HG2 THR 42 0.026 5.904 3.196 277 HG23 THR 42 3HG2 THR 42 -1.507 6.180 2.369 278 H ALA 43 HN ALA 43 2.516 6.912 3.672 279 HA ALA 43 HA ALA 43 4.295 4.625 3.161 280 HB1 ALA 43 1HB ALA 43 4.370 6.655 5.398 281 HB2 ALA 43 2HB ALA 43 5.379 6.672 3.951 282 HB3 ALA 43 3HB ALA 43 5.540 5.365 5.124 283 H CYS 44 HN CYS 44 3.898 2.801 3.887 284 HA CYS 44 HA CYS 44 2.368 2.432 6.370 285 HB2 CYS 44 3HB CYS 44 1.993 0.091 5.407 286 HB3 CYS 44 2HB CYS 44 1.080 1.410 4.687 287 H SER 45 HN SER 45 3.426 1.422 7.963 288 HA SER 45 HA SER 45 6.048 0.286 7.396 289 HB2 SER 45 3HB SER 45 4.656 0.043 10.072 290 HB3 SER 45 2HB SER 45 6.379 0.154 9.717 291 HG SER 45 HG SER 45 5.834 2.357 8.919 292 H SER 46 HN SER 46 2.760 -0.650 8.062 293 HA SER 46 HA SER 46 3.501 -3.459 7.587 294 HB2 SER 46 3HB SER 46 2.464 -3.178 9.774 295 HB3 SER 46 2HB SER 46 1.118 -2.297 9.056 296 HG SER 46 HG SER 46 1.275 -4.870 9.462 297 H ASP 47 HN ASP 47 2.455 -4.517 5.897 298 HA ASP 47 HA ASP 47 1.033 -3.039 3.969 299 HB2 ASP 47 3HB ASP 47 0.751 -5.109 2.795 300 HB3 ASP 47 2HB ASP 47 2.368 -5.095 3.490 301 H ALA 48 HN ALA 48 -0.107 -4.474 6.912 302 HA ALA 48 HA ALA 48 -2.576 -5.297 6.072 303 HB1 ALA 48 1HB ALA 48 -1.653 -5.904 8.240 304 HB2 ALA 48 2HB ALA 48 -3.245 -5.168 8.424 305 HB3 ALA 48 3HB ALA 48 -1.794 -4.230 8.773 306 H GLN 49 HN GLN 49 -1.354 -2.150 6.847 307 HA GLN 49 HA GLN 49 -3.925 -0.901 7.015 308 HB2 GLN 49 3HB GLN 49 -2.682 1.193 7.320 309 HB3 GLN 49 2HB GLN 49 -2.136 -0.054 8.425 310 HG2 GLN 49 3HG GLN 49 -0.218 -0.462 6.840 311 HG3 GLN 49 2HG GLN 49 -0.740 0.975 5.974 312 HE21 GLN 49 1HE2 GLN 49 -1.559 2.363 8.389 313 HE22 GLN 49 2HE2 GLN 49 -0.103 2.849 9.186 314 H CYS 50 HN CYS 50 -1.712 -1.699 4.538 315 HA CYS 50 HA CYS 50 -2.912 0.221 2.681 316 HB2 CYS 50 3HB CYS 50 -0.400 -0.532 2.544 317 HB3 CYS 50 2HB CYS 50 -1.077 -1.982 1.799 318 H ARG 51 HN ARG 51 -2.881 -3.250 3.401 319 HA ARG 51 HA ARG 51 -4.747 -4.117 1.531 320 HB2 ARG 51 3HB ARG 51 -4.329 -4.993 4.400 321 HB3 ARG 51 2HB ARG 51 -5.406 -5.815 3.284 322 HG2 ARG 51 3HG ARG 51 -2.424 -5.519 3.045 323 HG3 ARG 51 2HG ARG 51 -3.331 -6.993 3.397 324 HD2 ARG 51 3HD ARG 51 -3.456 -5.386 0.856 325 HD3 ARG 51 2HD ARG 51 -2.633 -6.928 1.072 326 HE ARG 51 HE ARG 51 -5.250 -7.379 1.803 327 HH11 ARG 51 1HH1 ARG 51 -3.573 -6.298 -1.066 328 HH12 ARG 51 2HH1 ARG 51 -4.757 -6.934 -2.161 329 HH21 ARG 51 1HH2 ARG 51 -6.825 -8.208 0.380 330 HH22 ARG 51 2HH2 ARG 51 -6.621 -8.017 -1.334 331 H ALA 52 HN ALA 52 -5.237 -2.828 4.791 332 HA ALA 52 HA ALA 52 -8.069 -2.704 4.616 333 HB1 ALA 52 1HB ALA 52 -6.908 -2.741 6.764 334 HB2 ALA 52 2HB ALA 52 -7.927 -1.310 6.627 335 HB3 ALA 52 3HB ALA 52 -6.183 -1.174 6.409 336 H ARG 53 HN ARG 53 -5.550 -0.818 3.308 337 HA ARG 53 HA ARG 53 -7.033 1.617 3.109 338 HB2 ARG 53 3HB ARG 53 -4.488 1.407 3.103 339 HB3 ARG 53 2HB ARG 53 -4.663 0.963 1.410 340 HG2 ARG 53 3HG ARG 53 -4.143 3.335 1.671 341 HG3 ARG 53 2HG ARG 53 -5.738 3.103 0.945 342 HD2 ARG 53 3HD ARG 53 -6.771 3.454 3.145 343 HD3 ARG 53 2HD ARG 53 -5.179 3.708 3.850 344 HE ARG 53 HE ARG 53 -5.323 5.560 1.862 345 HH11 ARG 53 1HH1 ARG 53 -7.342 4.733 4.578 346 HH12 ARG 53 2HH1 ARG 53 -7.889 6.360 4.851 347 HH21 ARG 53 1HH2 ARG 53 -6.062 7.708 2.180 348 HH22 ARG 53 2HH2 ARG 53 -7.204 8.045 3.448 349 H GLY 54 HN GLY 54 -7.447 -1.257 1.657 350 HA2 GLY 54 2HA GLY 54 -8.700 -1.904 -0.180 351 HA3 GLY 54 1HA GLY 54 -9.148 -0.214 -0.383 352 H CYS 55 HN CYS 55 -5.860 -0.466 -0.176 353 HA CYS 55 HA CYS 55 -5.648 -0.084 -3.043 354 HB2 CYS 55 3HB CYS 55 -3.814 0.628 -0.798 355 HB3 CYS 55 2HB CYS 55 -3.227 0.578 -2.465 356 H ASP 56 HN ASP 56 -2.977 -1.676 -1.237 357 HA ASP 56 HA ASP 56 -3.739 -4.204 -2.313 358 HB2 ASP 56 3HB ASP 56 -3.106 -3.220 -4.432 359 HB3 ASP 56 2HB ASP 56 -1.561 -2.704 -3.771 360 H GLY 57 HN GLY 57 -0.650 -2.383 -1.668 361 HA2 GLY 57 2HA GLY 57 -0.337 -3.854 0.753 362 HA3 GLY 57 1HA GLY 57 0.580 -4.618 -0.532 363 H CYS 58 HN CYS 58 1.785 -3.740 1.653 364 HA CYS 58 HA CYS 58 3.040 -1.199 1.128 365 HB2 CYS 58 3HB CYS 58 2.653 -2.578 3.422 366 HB3 CYS 58 2HB CYS 58 4.285 -3.095 3.032 367 H SER 59 HN SER 59 4.811 -0.927 -0.063 368 HA SER 59 HA SER 59 6.166 -3.293 -1.086 369 HB2 SER 59 3HB SER 59 5.566 -1.427 -2.634 370 HB3 SER 59 2HB SER 59 6.661 -0.372 -1.742 371 HG SER 59 HG SER 59 7.636 -1.288 -3.611 372 H THR 60 HN THR 60 8.628 -3.333 -1.012 373 HA THR 60 HA THR 60 9.641 -3.420 1.509 374 HB THR 60 HB THR 60 11.720 -2.415 -0.239 375 HG1 THR 60 1HG THR 60 10.169 -4.585 -1.258 376 HG21 THR 60 1HG2 THR 60 12.629 -4.655 0.126 377 HG22 THR 60 2HG2 THR 60 11.091 -5.176 0.815 378 HG23 THR 60 3HG2 THR 60 12.060 -3.956 1.642 379 H SER 61 HN SER 61 9.442 -0.394 -0.376 380 HA SER 61 HA SER 61 11.124 1.017 1.456 381 HB2 SER 61 3HB SER 61 9.459 2.066 -0.831 382 HB3 SER 61 2HB SER 61 10.743 2.937 0.007 383 HG SER 61 HG SER 61 12.239 1.563 -0.842 384 H GLY 62 HN GLY 62 8.313 -0.103 2.198 385 HA2 GLY 62 2HA GLY 62 6.753 0.493 3.757 386 HA3 GLY 62 1HA GLY 62 7.774 1.869 4.138 387 H VAL 63 HN VAL 63 6.053 1.035 1.139 388 HA VAL 63 HA VAL 63 4.473 3.490 1.482 389 HB VAL 63 HB VAL 63 4.589 3.819 -1.020 390 HG11 VAL 63 1HG1 VAL 63 6.792 4.903 -0.946 391 HG12 VAL 63 2HG1 VAL 63 7.143 4.053 0.559 392 HG13 VAL 63 3HG1 VAL 63 5.832 5.230 0.497 393 HG21 VAL 63 1HG2 VAL 63 6.858 1.855 -0.784 394 HG22 VAL 63 2HG2 VAL 63 6.538 2.871 -2.185 395 HG23 VAL 63 3HG2 VAL 63 5.374 1.639 -1.709 396 H CYS 64 HN CYS 64 2.480 3.523 0.201 397 HA CYS 64 HA CYS 64 1.171 0.890 0.471 398 HB2 CYS 64 3HB CYS 64 0.285 3.048 1.663 399 HB3 CYS 64 2HB CYS 64 -0.168 3.577 0.064 400 H VAL 65 HN VAL 65 0.968 -0.158 -1.442 401 HA VAL 65 HA VAL 65 0.552 1.387 -3.891 402 HB VAL 65 HB VAL 65 2.538 0.659 -4.995 403 HG11 VAL 65 1HG1 VAL 65 3.229 1.505 -2.207 404 HG12 VAL 65 2HG1 VAL 65 2.892 2.569 -3.574 405 HG13 VAL 65 3HG1 VAL 65 4.336 1.555 -3.582 406 HG21 VAL 65 1HG2 VAL 65 3.461 -0.864 -2.582 407 HG22 VAL 65 2HG2 VAL 65 4.037 -0.966 -4.246 408 HG23 VAL 65 3HG2 VAL 65 2.455 -1.623 -3.813 409 H LEU 66 HN LEU 66 0.491 -0.100 -5.829 410 HA LEU 66 HA LEU 66 -0.522 -2.741 -5.318 411 HB2 LEU 66 3HB LEU 66 0.755 -1.734 -7.862 412 HB3 LEU 66 2HB LEU 66 -0.354 -3.079 -7.685 413 HG LEU 66 HG LEU 66 -1.053 -0.166 -7.305 414 HD11 LEU 66 1HD1 LEU 66 -1.782 -2.098 -9.501 415 HD12 LEU 66 2HD1 LEU 66 -0.662 -0.744 -9.639 416 HD13 LEU 66 3HD1 LEU 66 -2.374 -0.444 -9.338 417 HD21 LEU 66 1HD2 LEU 66 -2.371 -1.577 -5.841 418 HD22 LEU 66 2HD2 LEU 66 -2.777 -2.637 -7.190 419 HD23 LEU 66 3HD2 LEU 66 -3.368 -0.976 -7.165 420 H SER 67 HN SER 67 0.850 -4.208 -4.316 421 HA SER 67 HA SER 67 3.460 -3.526 -3.644 422 HB2 SER 67 3HB SER 67 2.535 -6.407 -3.807 423 HB3 SER 67 2HB SER 67 3.619 -5.660 -2.634 424 HG SER 67 HG SER 67 0.833 -5.129 -2.919 425 H SER 68 HN SER 68 5.546 -3.923 -4.648 426 HA SER 68 HA SER 68 5.489 -4.911 -7.355 427 HB2 SER 68 3HB SER 68 7.823 -3.970 -5.671 428 HB3 SER 68 2HB SER 68 7.827 -4.213 -7.418 429 HG SER 68 HG SER 68 5.849 -2.635 -7.084 430 H LEU 69 HN LEU 69 4.930 -7.088 -7.012 431 HA LEU 69 HA LEU 69 6.270 -8.802 -5.208 432 HB2 LEU 69 3HB LEU 69 4.806 -9.533 -7.747 433 HB3 LEU 69 2HB LEU 69 5.204 -10.625 -6.434 434 HG LEU 69 HG LEU 69 3.273 -8.308 -6.311 435 HD11 LEU 69 1HD1 LEU 69 2.429 -10.257 -7.513 436 HD12 LEU 69 2HD1 LEU 69 1.595 -10.040 -5.975 437 HD13 LEU 69 3HD1 LEU 69 2.833 -11.285 -6.139 438 HD21 LEU 69 1HD2 LEU 69 4.433 -8.513 -4.197 439 HD22 LEU 69 2HD2 LEU 69 4.125 -10.249 -4.166 440 HD23 LEU 69 3HD2 LEU 69 2.781 -9.113 -4.034 441 H HIS 70 HN HIS 70 6.616 -8.444 -8.742 442 HA HIS 70 HA HIS 70 9.084 -10.006 -8.577 443 HB2 HIS 70 3HB HIS 70 7.406 -10.708 -10.242 444 HB3 HIS 70 2HB HIS 70 7.516 -9.131 -11.012 445 HD1 HIS 70 1HD HIS 70 9.119 -8.984 -12.899 446 HD2 HIS 70 2HD HIS 70 10.009 -12.139 -10.344 447 HE1 HIS 70 1HE HIS 70 11.039 -10.200 -13.973 448 HE2 HIS 70 2HE HIS 70 11.689 -11.971 -12.302 449 H HIS 71 HN HIS 71 8.248 -7.392 -10.829 450 HA HIS 71 HA HIS 71 9.599 -5.814 -11.759 451 HB2 HIS 71 3HB HIS 71 9.556 -5.254 -8.837 452 HB3 HIS 71 2HB HIS 71 10.645 -4.305 -9.842 453 HD1 HIS 71 1HD HIS 71 8.869 -2.406 -8.874 454 HD2 HIS 71 2HD HIS 71 7.548 -4.971 -11.863 455 HE1 HIS 71 1HE HIS 71 6.872 -1.281 -9.892 456 HE2 HIS 71 2HE HIS 71 5.963 -2.959 -11.536 457 H HIS 72 HN HIS 72 11.878 -5.410 -9.247 458 HA HIS 72 HA HIS 72 13.828 -7.080 -10.680 459 HB2 HIS 72 3HB HIS 72 14.115 -4.161 -9.996 460 HB3 HIS 72 2HB HIS 72 15.504 -5.189 -10.312 461 HD1 HIS 72 1HD HIS 72 12.667 -3.456 -12.008 462 HD2 HIS 72 2HD HIS 72 15.852 -5.937 -12.997 463 HE1 HIS 72 1HE HIS 72 12.877 -3.322 -14.511 464 HE2 HIS 72 2HE HIS 72 14.919 -4.692 -15.063 465 H HIS 73 HN HIS 73 12.716 -5.709 -7.695 466 HA HIS 73 HA HIS 73 14.963 -5.726 -6.121 467 HB2 HIS 73 3HB HIS 73 13.566 -5.720 -4.209 468 HB3 HIS 73 2HB HIS 73 12.665 -4.897 -5.467 469 HD1 HIS 73 1HD HIS 73 12.254 -7.319 -2.898 470 HD2 HIS 73 2HD HIS 73 10.729 -6.860 -6.743 471 HE1 HIS 73 1HE HIS 73 10.190 -8.759 -2.992 472 HE2 HIS 73 2HE HIS 73 9.387 -8.599 -5.374 473 H HIS 74 HN HIS 74 16.301 -7.158 -5.360 474 HA HIS 74 HA HIS 74 15.928 -9.958 -5.860 475 HB2 HIS 74 3HB HIS 74 18.135 -8.798 -6.035 476 HB3 HIS 74 2HB HIS 74 18.117 -8.580 -4.290 477 HD1 HIS 74 1HD HIS 74 18.748 -11.106 -6.940 478 HD2 HIS 74 2HD HIS 74 18.589 -10.940 -2.792 479 HE1 HIS 74 1HE HIS 74 19.786 -13.245 -6.137 480 HE2 HIS 74 2HE HIS 74 19.914 -12.989 -3.641 481 H HIS 75 HN HIS 75 15.756 -7.810 -3.091 482 HA HIS 75 HA HIS 75 14.751 -10.081 -1.512 483 HB2 HIS 75 3HB HIS 75 15.531 -9.021 0.521 484 HB3 HIS 75 2HB HIS 75 16.876 -9.182 -0.595 485 HD1 HIS 75 1HD HIS 75 18.001 -7.030 -1.404 486 HD2 HIS 75 2HD HIS 75 14.707 -6.369 1.045 487 HE1 HIS 75 1HE HIS 75 18.102 -4.597 -0.778 488 HE2 HIS 75 2HE HIS 75 16.011 -4.183 0.566 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -17.372 -0.172 6.863 2 H2 MET 1 2HT MET 1 -18.124 1.299 6.502 3 H3 MET 1 3HT MET 1 -17.556 0.313 5.253 4 HA MET 1 HA MET 1 -19.745 -0.351 7.133 5 HB2 MET 1 3HB MET 1 -20.388 1.370 5.508 6 HB3 MET 1 2HB MET 1 -19.805 0.363 4.192 7 HG2 MET 1 3HG MET 1 -21.507 -1.304 4.707 8 HG3 MET 1 2HG MET 1 -22.091 -0.299 6.030 9 HE1 MET 1 1HE MET 1 -22.377 0.857 1.568 10 HE2 MET 1 2HE MET 1 -21.680 -0.653 2.158 11 HE3 MET 1 3HE MET 1 -20.853 0.877 2.453 12 H CYS 2 HN CYS 2 -18.759 -1.266 3.835 13 HA CYS 2 HA CYS 2 -18.681 -4.069 4.727 14 HB2 CYS 2 3HB CYS 2 -18.807 -4.568 2.252 15 HB3 CYS 2 2HB CYS 2 -20.237 -3.794 2.927 16 HG CYS 2 HG CYS 2 -19.946 -2.657 0.464 17 H GLU 3 HN GLU 3 -16.872 -1.416 3.782 18 HA GLU 3 HA GLU 3 -14.420 -2.802 4.277 19 HB2 GLU 3 3HB GLU 3 -13.316 -2.087 2.185 20 HB3 GLU 3 2HB GLU 3 -14.609 -3.235 1.884 21 HG2 GLU 3 3HG GLU 3 -16.080 -1.331 1.275 22 HG3 GLU 3 2HG GLU 3 -14.687 -0.260 1.442 23 H PHE 4 HN PHE 4 -12.670 -0.761 3.465 24 HA PHE 4 HA PHE 4 -13.741 1.582 4.924 25 HB2 PHE 4 3HB PHE 4 -10.982 0.362 5.235 26 HB3 PHE 4 2HB PHE 4 -11.534 1.847 6.000 27 HD1 PHE 4 1HD PHE 4 -11.513 -1.757 6.127 28 HD2 PHE 4 2HD PHE 4 -13.319 1.748 7.717 29 HE1 PHE 4 1HE PHE 4 -12.364 -3.062 8.027 30 HE2 PHE 4 2HE PHE 4 -14.177 0.450 9.622 31 HZ PHE 4 HZ PHE 4 -13.698 -1.960 9.779 32 H ILE 5 HN ILE 5 -13.390 1.043 2.020 33 HA ILE 5 HA ILE 5 -11.180 2.722 1.234 34 HB ILE 5 HB ILE 5 -12.316 0.840 -0.204 35 HG12 ILE 5 3HG1 ILE 5 -11.446 3.474 -1.410 36 HG13 ILE 5 2HG1 ILE 5 -10.362 2.216 -0.829 37 HG21 ILE 5 1HG2 ILE 5 -14.045 3.231 -0.804 38 HG22 ILE 5 2HG2 ILE 5 -14.556 1.582 -0.438 39 HG23 ILE 5 3HG2 ILE 5 -13.787 1.944 -1.977 40 HD11 ILE 5 1HD1 ILE 5 -12.311 1.943 -3.104 41 HD12 ILE 5 2HD1 ILE 5 -11.195 0.699 -2.536 42 HD13 ILE 5 3HD1 ILE 5 -10.569 2.186 -3.251 43 H GLU 6 HN GLU 6 -13.757 3.612 2.861 44 HA GLU 6 HA GLU 6 -14.761 5.742 1.197 45 HB2 GLU 6 3HB GLU 6 -15.192 5.408 4.161 46 HB3 GLU 6 2HB GLU 6 -16.124 6.386 3.045 47 HG2 GLU 6 3HG GLU 6 -17.481 4.553 3.372 48 HG3 GLU 6 2HG GLU 6 -16.643 4.147 1.873 49 H ASP 7 HN ASP 7 -12.438 6.411 0.933 50 HA ASP 7 HA ASP 7 -11.631 8.276 3.055 51 HB2 ASP 7 3HB ASP 7 -9.924 6.642 2.254 52 HB3 ASP 7 2HB ASP 7 -10.030 7.366 0.655 53 H SER 8 HN SER 8 -13.710 8.382 0.815 54 HA SER 8 HA SER 8 -13.022 10.478 -0.924 55 HB2 SER 8 3HB SER 8 -15.801 9.950 0.104 56 HB3 SER 8 2HB SER 8 -15.316 10.515 -1.493 57 HG SER 8 HG SER 8 -14.288 8.416 -1.755 58 H GLU 9 HN GLU 9 -13.947 10.370 2.399 59 HA GLU 9 HA GLU 9 -14.766 13.047 2.765 60 HB2 GLU 9 3HB GLU 9 -13.358 11.287 4.778 61 HB3 GLU 9 2HB GLU 9 -14.380 12.673 5.121 62 HG2 GLU 9 3HG GLU 9 -16.314 11.468 4.252 63 HG3 GLU 9 2HG GLU 9 -15.287 10.078 3.896 64 H ASP 10 HN ASP 10 -11.691 11.461 2.572 65 HA ASP 10 HA ASP 10 -9.594 12.193 2.176 66 HB2 ASP 10 3HB ASP 10 -11.023 13.900 0.780 67 HB3 ASP 10 2HB ASP 10 -10.495 15.042 2.011 68 H ILE 11 HN ILE 11 -10.926 12.286 4.865 69 HA ILE 11 HA ILE 11 -9.633 14.470 6.265 70 HB ILE 11 HB ILE 11 -11.242 12.194 7.433 71 HG12 ILE 11 3HG1 ILE 11 -12.176 14.955 6.623 72 HG13 ILE 11 2HG1 ILE 11 -12.526 13.473 5.741 73 HG21 ILE 11 1HG2 ILE 11 -10.570 14.922 8.534 74 HG22 ILE 11 2HG2 ILE 11 -9.849 13.397 9.046 75 HG23 ILE 11 3HG2 ILE 11 -11.562 13.700 9.326 76 HD11 ILE 11 1HD1 ILE 11 -14.411 14.168 7.107 77 HD12 ILE 11 2HD1 ILE 11 -13.401 14.097 8.552 78 HD13 ILE 11 3HD1 ILE 11 -13.766 12.622 7.657 79 H GLN 12 HN GLN 12 -9.108 11.084 5.684 80 HA GLN 12 HA GLN 12 -7.567 10.450 7.945 81 HB2 GLN 12 3HB GLN 12 -7.700 9.274 5.183 82 HB3 GLN 12 2HB GLN 12 -6.567 8.661 6.378 83 HG2 GLN 12 3HG GLN 12 -8.413 8.139 7.878 84 HG3 GLN 12 2HG GLN 12 -9.558 8.778 6.699 85 HE21 GLN 12 1HE2 GLN 12 -10.023 7.584 4.859 86 HE22 GLN 12 2HE2 GLN 12 -9.588 5.920 4.704 87 H GLY 13 HN GLY 13 -6.706 11.923 4.886 88 HA2 GLY 13 2HA GLY 13 -3.882 11.984 5.610 89 HA3 GLY 13 1HA GLY 13 -4.584 12.541 4.097 90 H LEU 14 HN LEU 14 -6.436 13.710 6.572 91 HA LEU 14 HA LEU 14 -6.761 15.739 7.531 92 HB2 LEU 14 3HB LEU 14 -3.757 15.930 7.421 93 HB3 LEU 14 2HB LEU 14 -4.806 16.946 8.387 94 HG LEU 14 HG LEU 14 -4.518 13.960 8.739 95 HD11 LEU 14 1HD1 LEU 14 -2.458 15.132 9.322 96 HD12 LEU 14 2HD1 LEU 14 -3.267 14.504 10.757 97 HD13 LEU 14 3HD1 LEU 14 -3.369 16.221 10.367 98 HD21 LEU 14 1HD2 LEU 14 -6.689 14.763 9.442 99 HD22 LEU 14 2HD2 LEU 14 -5.938 16.056 10.375 100 HD23 LEU 14 3HD2 LEU 14 -5.710 14.375 10.856 101 H LYS 15 HN LYS 15 -6.443 15.433 4.565 102 HA LYS 15 HA LYS 15 -5.791 18.220 3.885 103 HB2 LYS 15 3HB LYS 15 -5.657 17.311 1.524 104 HB3 LYS 15 2HB LYS 15 -4.414 16.746 2.633 105 HG2 LYS 15 3HG LYS 15 -5.830 14.710 3.007 106 HG3 LYS 15 2HG LYS 15 -6.839 15.257 1.672 107 HD2 LYS 15 3HD LYS 15 -3.869 14.826 1.420 108 HD3 LYS 15 2HD LYS 15 -5.061 13.574 1.069 109 HE2 LYS 15 3HE LYS 15 -4.988 16.281 -0.260 110 HE3 LYS 15 2HE LYS 15 -4.274 14.819 -0.940 111 HZ1 LYS 15 1HZ LYS 15 -7.156 15.186 -0.283 112 HZ2 LYS 15 2HZ LYS 15 -6.458 13.799 -0.960 113 HZ3 LYS 15 3HZ LYS 15 -6.482 15.242 -1.839 114 H SER 16 HN SER 16 -8.318 17.033 4.998 115 HA SER 16 HA SER 16 -10.215 17.193 2.823 116 HB2 SER 16 3HB SER 16 -11.874 16.803 4.699 117 HB3 SER 16 2HB SER 16 -10.665 15.537 4.484 118 HG SER 16 HG SER 16 -11.179 16.963 6.661 119 H LEU 17 HN LEU 17 -8.584 19.547 3.797 120 HA LEU 17 HA LEU 17 -10.447 21.283 5.116 121 HB2 LEU 17 3HB LEU 17 -7.810 21.898 3.789 122 HB3 LEU 17 2HB LEU 17 -8.728 23.025 4.766 123 HG LEU 17 HG LEU 17 -7.376 20.494 5.698 124 HD11 LEU 17 1HD1 LEU 17 -5.914 22.434 5.364 125 HD12 LEU 17 2HD1 LEU 17 -6.054 22.000 7.066 126 HD13 LEU 17 3HD1 LEU 17 -6.943 23.386 6.434 127 HD21 LEU 17 1HD2 LEU 17 -9.159 22.381 7.235 128 HD22 LEU 17 2HD2 LEU 17 -8.172 21.106 7.948 129 HD23 LEU 17 3HD2 LEU 17 -9.493 20.689 6.858 130 H ARG 18 HN ARG 18 -9.950 20.368 1.908 131 HA ARG 18 HA ARG 18 -11.554 22.656 0.994 132 HB2 ARG 18 3HB ARG 18 -9.288 22.232 -0.112 133 HB3 ARG 18 2HB ARG 18 -10.007 20.781 -0.795 134 HG2 ARG 18 3HG ARG 18 -11.770 22.231 -1.807 135 HG3 ARG 18 2HG ARG 18 -10.848 23.627 -1.259 136 HD2 ARG 18 3HD ARG 18 -8.955 22.943 -2.600 137 HD3 ARG 18 2HD ARG 18 -9.800 21.475 -3.091 138 HE ARG 18 HE ARG 18 -11.286 23.825 -3.728 139 HH11 ARG 18 1HH1 ARG 18 -8.583 21.878 -4.805 140 HH12 ARG 18 2HH1 ARG 18 -8.791 22.299 -6.476 141 HH21 ARG 18 1HH2 ARG 18 -11.555 24.379 -5.919 142 HH22 ARG 18 2HH2 ARG 18 -10.474 23.722 -7.109 143 H LYS 19 HN LYS 19 -13.380 21.551 1.936 144 HA LYS 19 HA LYS 19 -14.181 18.992 0.967 145 HB2 LYS 19 3HB LYS 19 -16.262 19.343 2.221 146 HB3 LYS 19 2HB LYS 19 -14.841 19.641 3.200 147 HG2 LYS 19 3HG LYS 19 -16.329 21.894 1.895 148 HG3 LYS 19 2HG LYS 19 -16.853 21.211 3.430 149 HD2 LYS 19 3HD LYS 19 -14.571 21.681 4.336 150 HD3 LYS 19 2HD LYS 19 -14.204 22.519 2.829 151 HE2 LYS 19 3HE LYS 19 -16.449 23.230 4.706 152 HE3 LYS 19 2HE LYS 19 -14.896 24.058 4.622 153 HZ1 LYS 19 1HZ LYS 19 -15.385 24.646 2.324 154 HZ2 LYS 19 2HZ LYS 19 -16.571 25.238 3.371 155 HZ3 LYS 19 3HZ LYS 19 -16.889 23.874 2.429 156 H SER 20 HN SER 20 -14.038 19.419 -1.261 157 HA SER 20 HA SER 20 -16.555 20.438 -2.368 158 HB2 SER 20 3HB SER 20 -15.230 21.413 -4.277 159 HB3 SER 20 2HB SER 20 -14.979 22.238 -2.738 160 HG SER 20 HG SER 20 -13.113 21.372 -4.250 161 H HIS 21 HN HIS 21 -13.517 18.702 -3.000 162 HA HIS 21 HA HIS 21 -14.750 17.002 -4.983 163 HB2 HIS 21 3HB HIS 21 -12.561 15.927 -5.144 164 HB3 HIS 21 2HB HIS 21 -12.382 17.676 -5.202 165 HD1 HIS 21 1HD HIS 21 -11.223 14.706 -3.410 166 HD2 HIS 21 2HD HIS 21 -11.378 18.801 -2.706 167 HE1 HIS 21 1HE HIS 21 -9.649 15.125 -1.500 168 HE2 HIS 21 2HE HIS 21 -9.637 17.624 -1.202 169 H THR 22 HN THR 22 -14.953 17.137 -1.745 170 HA THR 22 HA THR 22 -14.466 14.565 -0.734 171 HB THR 22 HB THR 22 -16.701 15.233 0.662 172 HG1 THR 22 1HG THR 22 -17.210 17.276 0.395 173 HG21 THR 22 1HG2 THR 22 -15.207 16.349 2.249 174 HG22 THR 22 2HG2 THR 22 -13.959 16.463 1.011 175 HG23 THR 22 3HG2 THR 22 -14.472 14.885 1.602 176 H SER 23 HN SER 23 -17.777 15.644 -1.779 177 HA SER 23 HA SER 23 -18.085 12.942 -2.894 178 HB2 SER 23 3HB SER 23 -19.732 13.549 -1.112 179 HB3 SER 23 2HB SER 23 -20.261 14.901 -2.110 180 HG SER 23 HG SER 23 -20.244 12.264 -3.144 181 H LEU 24 HN LEU 24 -17.985 12.869 -5.051 182 HA LEU 24 HA LEU 24 -18.892 15.092 -6.674 183 HB2 LEU 24 3HB LEU 24 -16.451 15.473 -5.739 184 HB3 LEU 24 2HB LEU 24 -16.011 14.354 -7.011 185 HG LEU 24 HG LEU 24 -15.720 16.727 -7.643 186 HD11 LEU 24 1HD1 LEU 24 -16.060 15.086 -9.388 187 HD12 LEU 24 2HD1 LEU 24 -16.840 16.610 -9.811 188 HD13 LEU 24 3HD1 LEU 24 -17.809 15.254 -9.234 189 HD21 LEU 24 1HD2 LEU 24 -17.639 18.139 -8.047 190 HD22 LEU 24 2HD2 LEU 24 -17.603 17.636 -6.358 191 HD23 LEU 24 3HD2 LEU 24 -18.726 16.871 -7.483 192 H GLU 25 HN GLU 25 -17.314 11.976 -6.392 193 HA GLU 25 HA GLU 25 -17.726 11.406 -9.215 194 HB2 GLU 25 3HB GLU 25 -15.603 10.800 -7.931 195 HB3 GLU 25 2HB GLU 25 -16.561 9.559 -7.138 196 HG2 GLU 25 3HG GLU 25 -15.319 8.610 -8.973 197 HG3 GLU 25 2HG GLU 25 -17.047 8.555 -9.317 198 H ASP 26 HN ASP 26 -19.984 11.402 -9.192 199 HA ASP 26 HA ASP 26 -22.060 10.482 -9.119 200 HB2 ASP 26 3HB ASP 26 -20.731 8.369 -9.694 201 HB3 ASP 26 2HB ASP 26 -20.811 7.973 -7.983 202 H ASP 27 HN ASP 27 -23.128 8.679 -7.092 203 HA ASP 27 HA ASP 27 -23.131 10.540 -4.859 204 HB2 ASP 27 3HB ASP 27 -25.318 9.855 -5.522 205 HB3 ASP 27 2HB ASP 27 -24.847 8.159 -5.532 206 H ASP 28 HN ASP 28 -22.062 7.431 -5.703 207 HA ASP 28 HA ASP 28 -21.744 6.434 -3.054 208 HB2 ASP 28 3HB ASP 28 -22.168 4.849 -4.800 209 HB3 ASP 28 2HB ASP 28 -20.765 5.404 -5.708 210 H ASP 29 HN ASP 29 -19.567 7.643 -5.479 211 HA ASP 29 HA ASP 29 -17.457 8.472 -5.441 212 HB2 ASP 29 3HB ASP 29 -18.233 8.939 -2.570 213 HB3 ASP 29 2HB ASP 29 -16.653 9.401 -3.188 214 H GLY 30 HN GLY 30 -18.051 5.553 -4.606 215 HA2 GLY 30 2HA GLY 30 -16.036 4.782 -2.766 216 HA3 GLY 30 1HA GLY 30 -16.923 3.709 -3.837 217 H SER 31 HN SER 31 -15.811 5.691 -6.015 218 HA SER 31 HA SER 31 -13.372 4.164 -6.474 219 HB2 SER 31 3HB SER 31 -13.508 5.354 -8.735 220 HB3 SER 31 2HB SER 31 -14.803 4.213 -8.367 221 HG SER 31 HG SER 31 -15.738 6.085 -9.130 222 H ARG 32 HN ARG 32 -13.952 6.666 -4.655 223 HA ARG 32 HA ARG 32 -11.458 8.037 -5.397 224 HB2 ARG 32 3HB ARG 32 -13.982 9.328 -4.340 225 HB3 ARG 32 2HB ARG 32 -12.448 10.154 -4.573 226 HG2 ARG 32 3HG ARG 32 -14.060 8.860 -6.761 227 HG3 ARG 32 2HG ARG 32 -14.061 10.582 -6.379 228 HD2 ARG 32 3HD ARG 32 -11.702 10.727 -6.892 229 HD3 ARG 32 2HD ARG 32 -11.630 8.991 -7.180 230 HE ARG 32 HE ARG 32 -13.557 9.994 -8.893 231 HH11 ARG 32 1HH1 ARG 32 -10.133 10.436 -8.352 232 HH12 ARG 32 2HH1 ARG 32 -9.780 10.763 -10.018 233 HH21 ARG 32 1HH2 ARG 32 -13.113 10.429 -11.073 234 HH22 ARG 32 2HH2 ARG 32 -11.477 10.763 -11.571 235 H GLY 33 HN GLY 33 -10.199 7.007 -3.882 236 HA2 GLY 33 2HA GLY 33 -10.563 8.004 -1.172 237 HA3 GLY 33 1HA GLY 33 -10.609 6.255 -1.349 238 H GLY 34 HN GLY 34 -8.610 8.786 -2.852 239 HA2 GLY 34 2HA GLY 34 -6.320 9.075 -2.888 240 HA3 GLY 34 1HA GLY 34 -6.232 8.042 -1.466 241 H ASP 35 HN ASP 35 -7.889 6.716 -4.094 242 HA ASP 35 HA ASP 35 -5.817 4.703 -4.421 243 HB2 ASP 35 3HB ASP 35 -7.566 3.437 -5.597 244 HB3 ASP 35 2HB ASP 35 -8.144 3.998 -4.029 245 H CYS 36 HN CYS 36 -6.447 7.577 -5.795 246 HA CYS 36 HA CYS 36 -6.354 7.129 -8.569 247 HB2 CYS 36 3HB CYS 36 -6.855 9.364 -7.659 248 HB3 CYS 36 2HB CYS 36 -5.210 9.491 -7.033 249 HG CYS 36 HG CYS 36 -4.017 10.166 -9.244 250 H GLU 37 HN GLU 37 -4.937 5.607 -9.218 251 HA GLU 37 HA GLU 37 -2.985 4.881 -10.164 252 HB2 GLU 37 3HB GLU 37 -2.268 7.196 -10.504 253 HB3 GLU 37 2HB GLU 37 -1.731 7.293 -8.834 254 HG2 GLU 37 3HG GLU 37 -0.086 5.499 -9.322 255 HG3 GLU 37 2HG GLU 37 -0.568 5.583 -11.016 256 H GLY 38 HN GLY 38 -3.417 5.616 -6.878 257 HA2 GLY 38 2HA GLY 38 -3.085 3.482 -5.547 258 HA3 GLY 38 1HA GLY 38 -1.407 3.638 -6.078 259 H CYS 39 HN CYS 39 -2.629 3.749 -3.319 260 HA CYS 39 HA CYS 39 -2.256 6.493 -2.495 261 HB2 CYS 39 3HB CYS 39 -2.651 5.559 -0.209 262 HB3 CYS 39 2HB CYS 39 -3.942 5.197 -1.348 263 H SER 40 HN SER 40 -0.031 5.686 -3.770 264 HA SER 40 HA SER 40 1.865 4.370 -2.073 265 HB2 SER 40 3HB SER 40 1.965 4.130 -4.478 266 HB3 SER 40 2HB SER 40 2.248 5.853 -4.681 267 HG SER 40 HG SER 40 4.259 5.629 -3.848 268 H GLY 41 HN GLY 41 0.814 7.562 -2.558 269 HA2 GLY 41 2HA GLY 41 3.103 8.839 -1.311 270 HA3 GLY 41 1HA GLY 41 1.519 9.580 -1.482 271 H THR 42 HN THR 42 1.314 6.518 -0.035 272 HA THR 42 HA THR 42 1.305 7.760 2.642 273 HB THR 42 HB THR 42 -0.272 5.343 1.728 274 HG1 THR 42 1HG THR 42 -0.866 8.089 1.832 275 HG21 THR 42 1HG2 THR 42 0.256 5.326 4.120 276 HG22 THR 42 2HG2 THR 42 -1.464 5.613 3.857 277 HG23 THR 42 3HG2 THR 42 -0.402 6.955 4.282 278 H ALA 43 HN ALA 43 2.784 7.010 4.017 279 HA ALA 43 HA ALA 43 4.460 4.781 3.156 280 HB1 ALA 43 1HB ALA 43 4.803 6.687 5.478 281 HB2 ALA 43 2HB ALA 43 5.527 6.876 3.882 282 HB3 ALA 43 3HB ALA 43 5.989 5.514 4.902 283 H CYS 44 HN CYS 44 4.143 2.894 3.756 284 HA CYS 44 HA CYS 44 2.699 2.276 6.230 285 HB2 CYS 44 3HB CYS 44 2.618 -0.007 5.138 286 HB3 CYS 44 2HB CYS 44 1.720 1.271 4.319 287 H SER 45 HN SER 45 3.737 1.332 7.867 288 HA SER 45 HA SER 45 6.318 0.068 7.383 289 HB2 SER 45 3HB SER 45 4.793 -0.133 9.994 290 HB3 SER 45 2HB SER 45 6.532 -0.182 9.718 291 HG SER 45 HG SER 45 5.669 2.139 8.789 292 H SER 46 HN SER 46 2.938 -0.704 7.905 293 HA SER 46 HA SER 46 3.550 -3.526 7.369 294 HB2 SER 46 3HB SER 46 1.319 -4.003 8.419 295 HB3 SER 46 2HB SER 46 2.506 -3.323 9.527 296 HG SER 46 HG SER 46 0.250 -2.416 9.465 297 H ASP 47 HN ASP 47 2.507 -4.577 5.709 298 HA ASP 47 HA ASP 47 1.289 -3.114 3.649 299 HB2 ASP 47 3HB ASP 47 0.999 -5.164 2.551 300 HB3 ASP 47 2HB ASP 47 2.446 -5.394 3.521 301 H ALA 48 HN ALA 48 -0.088 -4.295 6.589 302 HA ALA 48 HA ALA 48 -2.526 -5.104 5.627 303 HB1 ALA 48 1HB ALA 48 -3.268 -5.027 7.954 304 HB2 ALA 48 2HB ALA 48 -1.814 -4.123 8.377 305 HB3 ALA 48 3HB ALA 48 -1.683 -5.782 7.798 306 H GLN 49 HN GLN 49 -1.285 -1.943 6.381 307 HA GLN 49 HA GLN 49 -3.912 -0.781 6.614 308 HB2 GLN 49 3HB GLN 49 -2.762 1.351 6.948 309 HB3 GLN 49 2HB GLN 49 -2.149 0.115 8.032 310 HG2 GLN 49 3HG GLN 49 -0.162 -0.134 6.718 311 HG3 GLN 49 2HG GLN 49 -0.801 0.936 5.472 312 HE21 GLN 49 1HE2 GLN 49 -1.270 1.573 8.863 313 HE22 GLN 49 2HE2 GLN 49 -0.203 2.932 8.954 314 H CYS 50 HN CYS 50 -1.609 -1.393 4.138 315 HA CYS 50 HA CYS 50 -2.731 0.649 2.368 316 HB2 CYS 50 3HB CYS 50 -0.988 -1.574 1.385 317 HB3 CYS 50 2HB CYS 50 -1.122 0.072 0.793 318 H ARG 51 HN ARG 51 -2.568 -2.831 2.701 319 HA ARG 51 HA ARG 51 -4.460 -3.696 0.935 320 HB2 ARG 51 3HB ARG 51 -3.334 -5.315 2.200 321 HB3 ARG 51 2HB ARG 51 -3.678 -4.507 3.721 322 HG2 ARG 51 3HG ARG 51 -4.928 -6.551 3.532 323 HG3 ARG 51 2HG ARG 51 -5.986 -5.136 3.552 324 HD2 ARG 51 3HD ARG 51 -6.439 -5.310 1.249 325 HD3 ARG 51 2HD ARG 51 -5.084 -6.411 0.981 326 HE ARG 51 HE ARG 51 -6.960 -7.546 2.783 327 HH11 ARG 51 1HH1 ARG 51 -6.558 -6.791 -0.608 328 HH12 ARG 51 2HH1 ARG 51 -7.546 -8.111 -1.150 329 HH21 ARG 51 1HH2 ARG 51 -8.268 -9.274 2.077 330 HH22 ARG 51 2HH2 ARG 51 -8.511 -9.526 0.377 331 H ALA 52 HN ALA 52 -4.995 -2.437 4.233 332 HA ALA 52 HA ALA 52 -7.814 -2.424 4.094 333 HB1 ALA 52 1HB ALA 52 -6.576 -2.326 6.209 334 HB2 ALA 52 2HB ALA 52 -7.731 -1.001 6.064 335 HB3 ALA 52 3HB ALA 52 -6.013 -0.706 5.797 336 H ARG 53 HN ARG 53 -5.374 -0.189 2.998 337 HA ARG 53 HA ARG 53 -7.175 1.975 2.570 338 HB2 ARG 53 3HB ARG 53 -4.346 1.484 1.778 339 HB3 ARG 53 2HB ARG 53 -5.235 2.825 1.076 340 HG2 ARG 53 3HG ARG 53 -4.762 2.386 4.018 341 HG3 ARG 53 2HG ARG 53 -3.872 3.507 2.989 342 HD2 ARG 53 3HD ARG 53 -6.811 3.611 3.655 343 HD3 ARG 53 2HD ARG 53 -5.559 4.707 4.232 344 HE ARG 53 HE ARG 53 -5.872 4.557 1.356 345 HH11 ARG 53 1HH1 ARG 53 -6.721 6.226 4.310 346 HH12 ARG 53 2HH1 ARG 53 -7.213 7.679 3.497 347 HH21 ARG 53 1HH2 ARG 53 -6.508 6.470 0.282 348 HH22 ARG 53 2HH2 ARG 53 -7.096 7.822 1.204 349 H GLY 54 HN GLY 54 -7.326 -0.843 1.153 350 HA2 GLY 54 2HA GLY 54 -8.466 -1.493 -0.751 351 HA3 GLY 54 1HA GLY 54 -8.651 0.205 -1.171 352 H CYS 55 HN CYS 55 -5.566 0.154 -0.644 353 HA CYS 55 HA CYS 55 -4.826 -0.022 -3.369 354 HB2 CYS 55 3HB CYS 55 -3.218 0.419 -0.860 355 HB3 CYS 55 2HB CYS 55 -2.438 0.208 -2.428 356 H ASP 56 HN ASP 56 -2.985 -1.948 -0.899 357 HA ASP 56 HA ASP 56 -3.814 -4.465 -1.743 358 HB2 ASP 56 3HB ASP 56 -3.012 -3.996 -3.951 359 HB3 ASP 56 2HB ASP 56 -1.529 -3.303 -3.320 360 H GLY 57 HN GLY 57 -0.632 -2.792 -1.344 361 HA2 GLY 57 2HA GLY 57 -0.335 -3.912 1.273 362 HA3 GLY 57 1HA GLY 57 0.606 -4.782 0.071 363 H CYS 58 HN CYS 58 1.985 -3.805 1.916 364 HA CYS 58 HA CYS 58 3.045 -1.200 1.334 365 HB2 CYS 58 3HB CYS 58 2.973 -2.447 3.633 366 HB3 CYS 58 2HB CYS 58 4.413 -3.263 3.040 367 H SER 59 HN SER 59 4.693 -0.795 -0.018 368 HA SER 59 HA SER 59 5.995 -3.037 -1.325 369 HB2 SER 59 3HB SER 59 5.273 -0.912 -2.540 370 HB3 SER 59 2HB SER 59 6.590 -0.092 -1.707 371 HG SER 59 HG SER 59 7.063 -2.442 -3.197 372 H THR 60 HN THR 60 8.418 -3.199 -1.318 373 HA THR 60 HA THR 60 9.305 -3.423 1.309 374 HB THR 60 HB THR 60 11.635 -3.527 0.013 375 HG1 THR 60 1HG THR 60 11.119 -4.265 -2.157 376 HG21 THR 60 1HG2 THR 60 11.135 -5.892 -0.443 377 HG22 THR 60 2HG2 THR 60 9.420 -5.570 -0.199 378 HG23 THR 60 3HG2 THR 60 10.549 -5.396 1.144 379 H SER 61 HN SER 61 9.078 -0.401 -0.145 380 HA SER 61 HA SER 61 11.286 0.572 1.503 381 HB2 SER 61 3HB SER 61 11.470 0.884 -1.028 382 HB3 SER 61 2HB SER 61 10.151 2.042 -0.873 383 HG SER 61 HG SER 61 12.791 2.327 -0.298 384 H GLY 62 HN GLY 62 8.354 0.062 2.112 385 HA2 GLY 62 2HA GLY 62 6.915 1.015 3.618 386 HA3 GLY 62 1HA GLY 62 8.065 2.323 3.805 387 H VAL 63 HN VAL 63 6.157 1.241 0.988 388 HA VAL 63 HA VAL 63 4.614 3.726 1.185 389 HB VAL 63 HB VAL 63 4.647 4.007 -1.286 390 HG11 VAL 63 1HG1 VAL 63 6.877 4.989 -1.433 391 HG12 VAL 63 2HG1 VAL 63 7.361 4.112 0.019 392 HG13 VAL 63 3HG1 VAL 63 6.112 5.354 0.112 393 HG21 VAL 63 1HG2 VAL 63 5.247 1.721 -1.906 394 HG22 VAL 63 2HG2 VAL 63 6.853 1.964 -1.222 395 HG23 VAL 63 3HG2 VAL 63 6.344 2.901 -2.623 396 H CYS 64 HN CYS 64 2.539 3.602 -0.020 397 HA CYS 64 HA CYS 64 1.509 0.874 0.497 398 HB2 CYS 64 3HB CYS 64 0.332 3.576 1.038 399 HB3 CYS 64 2HB CYS 64 -0.766 2.283 0.616 400 H VAL 65 HN VAL 65 0.927 -0.288 -1.218 401 HA VAL 65 HA VAL 65 0.187 1.026 -3.728 402 HB VAL 65 HB VAL 65 2.143 0.405 -4.951 403 HG11 VAL 65 1HG1 VAL 65 3.054 1.400 -2.275 404 HG12 VAL 65 2HG1 VAL 65 2.466 2.400 -3.607 405 HG13 VAL 65 3HG1 VAL 65 3.976 1.502 -3.778 406 HG21 VAL 65 1HG2 VAL 65 3.850 -1.035 -4.212 407 HG22 VAL 65 2HG2 VAL 65 2.342 -1.820 -3.727 408 HG23 VAL 65 3HG2 VAL 65 3.310 -0.948 -2.539 409 H LEU 66 HN LEU 66 0.256 -0.755 -5.571 410 HA LEU 66 HA LEU 66 -0.529 -3.377 -4.694 411 HB2 LEU 66 3HB LEU 66 -1.113 -2.246 -6.923 412 HB3 LEU 66 2HB LEU 66 0.531 -2.610 -7.407 413 HG LEU 66 HG LEU 66 -1.410 -4.751 -6.540 414 HD11 LEU 66 1HD1 LEU 66 -0.847 -3.745 -9.323 415 HD12 LEU 66 2HD1 LEU 66 -2.366 -3.581 -8.440 416 HD13 LEU 66 3HD1 LEU 66 -1.791 -5.180 -8.917 417 HD21 LEU 66 1HD2 LEU 66 0.962 -5.364 -6.500 418 HD22 LEU 66 2HD2 LEU 66 1.119 -4.858 -8.182 419 HD23 LEU 66 3HD2 LEU 66 0.088 -6.228 -7.766 420 H SER 67 HN SER 67 0.992 -4.633 -3.646 421 HA SER 67 HA SER 67 3.608 -3.801 -3.258 422 HB2 SER 67 3HB SER 67 2.798 -6.722 -3.156 423 HB3 SER 67 2HB SER 67 3.972 -5.873 -2.153 424 HG SER 67 HG SER 67 1.144 -5.531 -2.150 425 H SER 68 HN SER 68 5.629 -4.192 -4.418 426 HA SER 68 HA SER 68 5.269 -5.097 -7.130 427 HB2 SER 68 3HB SER 68 7.798 -4.160 -5.758 428 HB3 SER 68 2HB SER 68 7.504 -4.252 -7.494 429 HG SER 68 HG SER 68 5.761 -2.706 -7.100 430 H LEU 69 HN LEU 69 4.712 -7.293 -6.262 431 HA LEU 69 HA LEU 69 7.009 -8.882 -5.419 432 HB2 LEU 69 3HB LEU 69 4.079 -9.571 -5.647 433 HB3 LEU 69 2HB LEU 69 5.318 -10.667 -5.075 434 HG LEU 69 HG LEU 69 4.510 -8.085 -3.737 435 HD11 LEU 69 1HD1 LEU 69 3.598 -9.538 -2.003 436 HD12 LEU 69 2HD1 LEU 69 4.019 -10.954 -2.965 437 HD13 LEU 69 3HD1 LEU 69 2.809 -9.817 -3.556 438 HD21 LEU 69 1HD2 LEU 69 6.473 -10.217 -2.900 439 HD22 LEU 69 2HD2 LEU 69 5.947 -8.862 -1.902 440 HD23 LEU 69 3HD2 LEU 69 6.864 -8.565 -3.379 441 H HIS 70 HN HIS 70 7.679 -10.724 -6.533 442 HA HIS 70 HA HIS 70 7.381 -10.438 -9.390 443 HB2 HIS 70 3HB HIS 70 9.155 -12.229 -9.494 444 HB3 HIS 70 2HB HIS 70 9.632 -10.735 -8.704 445 HD1 HIS 70 1HD HIS 70 9.183 -14.368 -8.112 446 HD2 HIS 70 2HD HIS 70 10.055 -10.959 -5.905 447 HE1 HIS 70 1HE HIS 70 10.064 -15.197 -5.909 448 HE2 HIS 70 2HE HIS 70 10.722 -13.116 -4.652 449 H HIS 71 HN HIS 71 5.298 -11.099 -9.767 450 HA HIS 71 HA HIS 71 4.587 -13.857 -9.128 451 HB2 HIS 71 3HB HIS 71 2.997 -11.618 -10.394 452 HB3 HIS 71 2HB HIS 71 2.377 -13.244 -10.148 453 HD1 HIS 71 1HD HIS 71 1.789 -13.937 -7.722 454 HD2 HIS 71 2HD HIS 71 3.129 -10.026 -8.117 455 HE1 HIS 71 1HE HIS 71 1.218 -12.804 -5.552 456 HE2 HIS 71 2HE HIS 71 1.791 -10.382 -5.939 457 H HIS 72 HN HIS 72 6.573 -14.211 -10.664 458 HA HIS 72 HA HIS 72 5.541 -14.527 -13.406 459 HB2 HIS 72 3HB HIS 72 8.376 -14.169 -12.416 460 HB3 HIS 72 2HB HIS 72 7.994 -14.698 -14.048 461 HD1 HIS 72 1HD HIS 72 8.419 -12.776 -15.552 462 HD2 HIS 72 2HD HIS 72 6.569 -11.597 -12.018 463 HE1 HIS 72 1HE HIS 72 8.009 -10.306 -15.790 464 HE2 HIS 72 2HE HIS 72 7.023 -9.590 -13.586 465 H HIS 73 HN HIS 73 6.522 -16.433 -14.556 466 HA HIS 73 HA HIS 73 6.944 -18.645 -14.792 467 HB2 HIS 73 3HB HIS 73 7.808 -18.468 -11.904 468 HB3 HIS 73 2HB HIS 73 7.915 -19.939 -12.860 469 HD1 HIS 73 1HD HIS 73 10.169 -20.300 -13.763 470 HD2 HIS 73 2HD HIS 73 9.299 -16.255 -13.395 471 HE1 HIS 73 1HE HIS 73 12.253 -19.092 -14.483 472 HE2 HIS 73 2HE HIS 73 11.762 -16.660 -14.064 473 H HIS 74 HN HIS 74 4.522 -17.377 -13.134 474 HA HIS 74 HA HIS 74 2.500 -18.050 -12.374 475 HB2 HIS 74 3HB HIS 74 3.184 -20.386 -14.152 476 HB3 HIS 74 2HB HIS 74 1.624 -20.218 -13.357 477 HD1 HIS 74 1HD HIS 74 3.496 -19.172 -16.322 478 HD2 HIS 74 2HD HIS 74 0.140 -17.886 -14.234 479 HE1 HIS 74 1HE HIS 74 2.275 -17.630 -17.887 480 HE2 HIS 74 2HE HIS 74 0.376 -16.702 -16.518 481 H HIS 75 HN HIS 75 4.418 -18.409 -10.483 482 HA HIS 75 HA HIS 75 4.170 -21.137 -9.481 483 HB2 HIS 75 3HB HIS 75 5.936 -20.640 -7.944 484 HB3 HIS 75 2HB HIS 75 6.409 -20.011 -9.513 485 HD1 HIS 75 1HD HIS 75 6.326 -17.354 -9.779 486 HD2 HIS 75 2HD HIS 75 5.857 -18.804 -5.906 487 HE1 HIS 75 1HE HIS 75 6.730 -15.392 -8.261 488 HE2 HIS 75 2HE HIS 75 6.448 -16.287 -5.925 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -15.431 6.610 9.298 2 H2 MET 1 2HT MET 1 -13.844 6.039 9.380 3 H3 MET 1 3HT MET 1 -15.083 5.016 8.855 4 HA MET 1 HA MET 1 -15.441 6.378 6.917 5 HB2 MET 1 3HB MET 1 -14.638 8.478 8.057 6 HB3 MET 1 2HB MET 1 -12.994 7.903 7.826 7 HG2 MET 1 3HG MET 1 -13.276 7.966 5.424 8 HG3 MET 1 2HG MET 1 -14.962 8.446 5.614 9 HE1 MET 1 1HE MET 1 -13.233 10.119 3.722 10 HE2 MET 1 2HE MET 1 -13.550 11.767 4.259 11 HE3 MET 1 3HE MET 1 -14.866 10.595 4.187 12 H CYS 2 HN CYS 2 -11.996 6.285 7.828 13 HA CYS 2 HA CYS 2 -10.230 5.147 6.992 14 HB2 CYS 2 3HB CYS 2 -12.344 3.001 6.874 15 HB3 CYS 2 2HB CYS 2 -10.642 2.693 6.548 16 HG CYS 2 HG CYS 2 -12.153 3.426 9.498 17 H GLU 3 HN GLU 3 -11.297 6.815 5.160 18 HA GLU 3 HA GLU 3 -10.107 5.941 2.796 19 HB2 GLU 3 3HB GLU 3 -12.093 4.519 2.520 20 HB3 GLU 3 2HB GLU 3 -13.135 5.926 2.690 21 HG2 GLU 3 3HG GLU 3 -12.810 5.171 0.350 22 HG3 GLU 3 2HG GLU 3 -12.351 6.849 0.638 23 H PHE 4 HN PHE 4 -9.371 7.759 1.963 24 HA PHE 4 HA PHE 4 -10.689 10.255 2.782 25 HB2 PHE 4 3HB PHE 4 -7.978 9.957 1.455 26 HB3 PHE 4 2HB PHE 4 -8.624 11.371 2.280 27 HD1 PHE 4 1HD PHE 4 -9.039 11.267 4.742 28 HD2 PHE 4 2HD PHE 4 -6.864 8.263 2.663 29 HE1 PHE 4 1HE PHE 4 -8.077 10.498 6.869 30 HE2 PHE 4 2HE PHE 4 -5.900 7.484 4.787 31 HZ PHE 4 HZ PHE 4 -6.509 8.604 6.896 32 H ILE 5 HN ILE 5 -10.758 8.259 0.080 33 HA ILE 5 HA ILE 5 -10.968 10.353 -1.883 34 HB ILE 5 HB ILE 5 -10.425 7.837 -2.341 35 HG12 ILE 5 3HG1 ILE 5 -11.381 8.040 -4.644 36 HG13 ILE 5 2HG1 ILE 5 -12.279 9.454 -4.102 37 HG21 ILE 5 1HG2 ILE 5 -13.425 7.803 -2.189 38 HG22 ILE 5 2HG2 ILE 5 -12.275 6.625 -1.554 39 HG23 ILE 5 3HG2 ILE 5 -12.565 6.727 -3.285 40 HD11 ILE 5 1HD1 ILE 5 -9.284 9.192 -4.157 41 HD12 ILE 5 2HD1 ILE 5 -10.194 10.618 -3.654 42 HD13 ILE 5 3HD1 ILE 5 -10.270 10.067 -5.327 43 H GLU 6 HN GLU 6 -12.987 9.811 0.624 44 HA GLU 6 HA GLU 6 -15.449 9.985 -0.939 45 HB2 GLU 6 3HB GLU 6 -14.990 9.462 1.989 46 HB3 GLU 6 2HB GLU 6 -16.572 9.723 1.273 47 HG2 GLU 6 3HG GLU 6 -16.145 7.789 -0.233 48 HG3 GLU 6 2HG GLU 6 -14.658 7.486 0.663 49 H ASP 7 HN ASP 7 -14.122 12.177 -1.271 50 HA ASP 7 HA ASP 7 -15.576 14.169 0.343 51 HB2 ASP 7 3HB ASP 7 -12.769 14.147 -0.633 52 HB3 ASP 7 2HB ASP 7 -13.624 15.684 -0.716 53 H SER 8 HN SER 8 -16.300 12.656 -2.066 54 HA SER 8 HA SER 8 -16.067 14.423 -4.315 55 HB2 SER 8 3HB SER 8 -17.808 11.967 -4.044 56 HB3 SER 8 2HB SER 8 -17.213 12.700 -5.533 57 HG SER 8 HG SER 8 -15.045 12.252 -4.317 58 H GLU 9 HN GLU 9 -18.027 14.443 -1.646 59 HA GLU 9 HA GLU 9 -20.554 15.043 -2.715 60 HB2 GLU 9 3HB GLU 9 -21.038 16.057 -0.512 61 HB3 GLU 9 2HB GLU 9 -20.314 14.463 -0.379 62 HG2 GLU 9 3HG GLU 9 -18.220 15.374 0.272 63 HG3 GLU 9 2HG GLU 9 -18.736 17.010 -0.131 64 H ASP 10 HN ASP 10 -17.841 17.122 -1.806 65 HA ASP 10 HA ASP 10 -17.358 19.301 -2.146 66 HB2 ASP 10 3HB ASP 10 -18.936 18.642 -4.602 67 HB3 ASP 10 2HB ASP 10 -18.399 20.294 -4.321 68 H ILE 11 HN ILE 11 -19.881 18.509 -0.682 69 HA ILE 11 HA ILE 11 -21.669 20.739 -1.094 70 HB ILE 11 HB ILE 11 -21.675 18.599 1.044 71 HG12 ILE 11 3HG1 ILE 11 -23.320 18.885 -1.479 72 HG13 ILE 11 2HG1 ILE 11 -22.015 17.730 -1.235 73 HG21 ILE 11 1HG2 ILE 11 -23.977 19.295 1.493 74 HG22 ILE 11 2HG2 ILE 11 -23.814 20.603 0.319 75 HG23 ILE 11 3HG2 ILE 11 -22.840 20.612 1.790 76 HD11 ILE 11 1HD1 ILE 11 -24.601 17.813 0.302 77 HD12 ILE 11 2HD1 ILE 11 -23.299 16.645 0.526 78 HD13 ILE 11 3HD1 ILE 11 -24.195 16.685 -0.991 79 H GLN 12 HN GLN 12 -18.950 19.981 0.864 80 HA GLN 12 HA GLN 12 -19.513 21.797 3.002 81 HB2 GLN 12 3HB GLN 12 -16.891 20.569 2.138 82 HB3 GLN 12 2HB GLN 12 -17.124 21.497 3.608 83 HG2 GLN 12 3HG GLN 12 -18.191 18.777 2.932 84 HG3 GLN 12 2HG GLN 12 -17.139 19.252 4.254 85 HE21 GLN 12 1HE2 GLN 12 -20.357 18.900 3.166 86 HE22 GLN 12 2HE2 GLN 12 -21.146 19.374 4.634 87 H GLY 13 HN GLY 13 -18.584 22.186 -0.179 88 HA2 GLY 13 2HA GLY 13 -16.932 24.467 -0.069 89 HA3 GLY 13 1HA GLY 13 -17.958 24.012 -1.421 90 H LEU 14 HN LEU 14 -20.317 24.068 0.477 91 HA LEU 14 HA LEU 14 -21.944 25.486 1.163 92 HB2 LEU 14 3HB LEU 14 -20.189 26.145 2.788 93 HB3 LEU 14 2HB LEU 14 -19.677 27.408 1.687 94 HG LEU 14 HG LEU 14 -21.902 28.472 1.912 95 HD11 LEU 14 1HD1 LEU 14 -23.383 27.743 3.731 96 HD12 LEU 14 2HD1 LEU 14 -22.363 26.325 3.972 97 HD13 LEU 14 3HD1 LEU 14 -23.237 26.535 2.456 98 HD21 LEU 14 1HD2 LEU 14 -21.569 29.316 4.176 99 HD22 LEU 14 2HD2 LEU 14 -20.040 29.198 3.304 100 HD23 LEU 14 3HD2 LEU 14 -20.463 27.985 4.514 101 H LYS 15 HN LYS 15 -21.871 25.352 -1.464 102 HA LYS 15 HA LYS 15 -21.570 27.943 -2.689 103 HB2 LYS 15 3HB LYS 15 -22.321 26.883 -4.728 104 HB3 LYS 15 2HB LYS 15 -21.129 25.857 -3.941 105 HG2 LYS 15 3HG LYS 15 -22.925 24.440 -3.077 106 HG3 LYS 15 2HG LYS 15 -24.117 25.468 -3.871 107 HD2 LYS 15 3HD LYS 15 -21.924 23.952 -5.284 108 HD3 LYS 15 2HD LYS 15 -23.597 23.412 -5.149 109 HE2 LYS 15 3HE LYS 15 -24.359 25.348 -6.382 110 HE3 LYS 15 2HE LYS 15 -22.721 25.994 -6.433 111 HZ1 LYS 15 1HZ LYS 15 -22.045 24.112 -7.768 112 HZ2 LYS 15 2HZ LYS 15 -23.333 24.920 -8.509 113 HZ3 LYS 15 3HZ LYS 15 -23.604 23.461 -7.699 114 H SER 16 HN SER 16 -23.782 26.877 -0.604 115 HA SER 16 HA SER 16 -26.121 27.980 -1.919 116 HB2 SER 16 3HB SER 16 -25.766 26.868 0.877 117 HB3 SER 16 2HB SER 16 -27.304 27.330 0.146 118 HG SER 16 HG SER 16 -26.404 25.753 -1.602 119 H LEU 17 HN LEU 17 -23.538 29.034 -0.020 120 HA LEU 17 HA LEU 17 -24.981 31.511 0.637 121 HB2 LEU 17 3HB LEU 17 -24.367 30.084 2.620 122 HB3 LEU 17 2HB LEU 17 -22.687 30.327 2.198 123 HG LEU 17 HG LEU 17 -23.642 31.749 4.087 124 HD11 LEU 17 1HD1 LEU 17 -22.374 33.729 3.438 125 HD12 LEU 17 2HD1 LEU 17 -22.314 33.147 1.775 126 HD13 LEU 17 3HD1 LEU 17 -21.503 32.246 3.055 127 HD21 LEU 17 1HD2 LEU 17 -24.858 33.253 1.780 128 HD22 LEU 17 2HD2 LEU 17 -24.844 33.755 3.469 129 HD23 LEU 17 3HD2 LEU 17 -25.752 32.323 2.982 130 H ARG 18 HN ARG 18 -21.954 30.041 -0.267 131 HA ARG 18 HA ARG 18 -20.951 32.656 -1.146 132 HB2 ARG 18 3HB ARG 18 -19.490 30.080 -0.540 133 HB3 ARG 18 2HB ARG 18 -18.722 31.525 -1.185 134 HG2 ARG 18 3HG ARG 18 -19.310 32.766 0.809 135 HG3 ARG 18 2HG ARG 18 -20.169 31.367 1.450 136 HD2 ARG 18 3HD ARG 18 -18.116 30.106 1.562 137 HD3 ARG 18 2HD ARG 18 -17.228 31.422 0.795 138 HE ARG 18 HE ARG 18 -18.451 32.420 3.105 139 HH11 ARG 18 1HH1 ARG 18 -15.986 30.090 2.255 140 HH12 ARG 18 2HH1 ARG 18 -15.039 30.382 3.678 141 HH21 ARG 18 1HH2 ARG 18 -17.220 32.803 4.981 142 HH22 ARG 18 2HH2 ARG 18 -15.739 31.934 5.233 143 H LYS 19 HN LYS 19 -21.784 32.888 -3.157 144 HA LYS 19 HA LYS 19 -21.519 30.627 -5.019 145 HB2 LYS 19 3HB LYS 19 -23.411 32.983 -5.054 146 HB3 LYS 19 2HB LYS 19 -23.256 31.837 -6.376 147 HG2 LYS 19 3HG LYS 19 -23.929 30.022 -4.858 148 HG3 LYS 19 2HG LYS 19 -24.134 31.200 -3.565 149 HD2 LYS 19 3HD LYS 19 -26.290 30.963 -4.342 150 HD3 LYS 19 2HD LYS 19 -25.735 32.373 -5.242 151 HE2 LYS 19 3HE LYS 19 -25.660 29.558 -6.318 152 HE3 LYS 19 2HE LYS 19 -27.000 30.669 -6.584 153 HZ1 LYS 19 1HZ LYS 19 -25.393 32.199 -7.637 154 HZ2 LYS 19 2HZ LYS 19 -25.559 30.736 -8.461 155 HZ3 LYS 19 3HZ LYS 19 -24.199 31.010 -7.502 156 H SER 20 HN SER 20 -19.403 32.560 -4.331 157 HA SER 20 HA SER 20 -19.007 33.758 -6.989 158 HB2 SER 20 3HB SER 20 -17.356 34.196 -4.481 159 HB3 SER 20 2HB SER 20 -17.239 35.091 -5.994 160 HG SER 20 HG SER 20 -19.604 35.541 -5.545 161 H HIS 21 HN HIS 21 -17.668 31.409 -4.705 162 HA HIS 21 HA HIS 21 -15.501 30.792 -6.545 163 HB2 HIS 21 3HB HIS 21 -14.487 29.569 -4.843 164 HB3 HIS 21 2HB HIS 21 -15.290 30.857 -3.963 165 HD1 HIS 21 1HD HIS 21 -15.100 27.206 -4.292 166 HD2 HIS 21 2HD HIS 21 -17.626 29.979 -2.499 167 HE1 HIS 21 1HE HIS 21 -16.478 25.900 -2.644 168 HE2 HIS 21 2HE HIS 21 -17.855 27.627 -1.435 169 H THR 22 HN THR 22 -18.590 30.153 -6.642 170 HA THR 22 HA THR 22 -19.170 27.475 -6.766 171 HB THR 22 HB THR 22 -19.989 29.121 -9.140 172 HG1 THR 22 1HG THR 22 -21.007 30.534 -7.889 173 HG21 THR 22 1HG2 THR 22 -21.458 27.295 -7.232 174 HG22 THR 22 2HG2 THR 22 -20.892 26.863 -8.844 175 HG23 THR 22 3HG2 THR 22 -22.154 28.080 -8.647 176 H SER 23 HN SER 23 -17.257 29.133 -9.370 177 HA SER 23 HA SER 23 -16.844 26.473 -10.543 178 HB2 SER 23 3HB SER 23 -16.263 29.182 -11.768 179 HB3 SER 23 2HB SER 23 -16.198 27.618 -12.583 180 HG SER 23 HG SER 23 -18.566 27.645 -11.624 181 H LEU 24 HN LEU 24 -15.536 27.780 -8.161 182 HA LEU 24 HA LEU 24 -12.738 27.533 -9.042 183 HB2 LEU 24 3HB LEU 24 -13.829 29.408 -6.935 184 HB3 LEU 24 2HB LEU 24 -12.140 29.227 -7.360 185 HG LEU 24 HG LEU 24 -14.285 30.281 -9.206 186 HD11 LEU 24 1HD1 LEU 24 -13.191 32.443 -8.897 187 HD12 LEU 24 2HD1 LEU 24 -12.100 31.724 -7.712 188 HD13 LEU 24 3HD1 LEU 24 -13.828 31.821 -7.375 189 HD21 LEU 24 1HD2 LEU 24 -12.506 29.181 -10.430 190 HD22 LEU 24 2HD2 LEU 24 -11.292 30.085 -9.525 191 HD23 LEU 24 3HD2 LEU 24 -12.381 30.930 -10.625 192 H GLU 25 HN GLU 25 -12.421 25.453 -8.349 193 HA GLU 25 HA GLU 25 -13.392 24.556 -5.795 194 HB2 GLU 25 3HB GLU 25 -11.619 23.259 -7.863 195 HB3 GLU 25 2HB GLU 25 -12.010 22.491 -6.332 196 HG2 GLU 25 3HG GLU 25 -13.462 21.610 -7.988 197 HG3 GLU 25 2HG GLU 25 -14.415 22.655 -6.939 198 H ASP 26 HN ASP 26 -10.657 26.171 -6.928 199 HA ASP 26 HA ASP 26 -8.975 27.193 -5.796 200 HB2 ASP 26 3HB ASP 26 -10.446 27.263 -3.810 201 HB3 ASP 26 2HB ASP 26 -9.881 25.661 -3.352 202 H ASP 27 HN ASP 27 -6.845 26.711 -4.942 203 HA ASP 27 HA ASP 27 -5.913 24.389 -6.357 204 HB2 ASP 27 3HB ASP 27 -4.287 26.481 -4.916 205 HB3 ASP 27 2HB ASP 27 -3.696 25.334 -6.111 206 H ASP 28 HN ASP 28 -6.603 25.146 -3.166 207 HA ASP 28 HA ASP 28 -4.666 23.277 -2.072 208 HB2 ASP 28 3HB ASP 28 -5.100 25.365 -0.852 209 HB3 ASP 28 2HB ASP 28 -6.784 24.890 -0.656 210 H ASP 29 HN ASP 29 -8.087 23.542 -2.579 211 HA ASP 29 HA ASP 29 -8.699 21.015 -1.356 212 HB2 ASP 29 3HB ASP 29 -10.298 22.888 -3.094 213 HB3 ASP 29 2HB ASP 29 -10.921 21.314 -2.612 214 H GLY 30 HN GLY 30 -7.560 22.072 -4.404 215 HA2 GLY 30 2HA GLY 30 -8.342 19.715 -5.868 216 HA3 GLY 30 1HA GLY 30 -7.257 20.979 -6.424 217 H SER 31 HN SER 31 -6.041 20.279 -3.530 218 HA SER 31 HA SER 31 -3.997 18.533 -4.549 219 HB2 SER 31 3HB SER 31 -4.475 19.514 -1.725 220 HB3 SER 31 2HB SER 31 -2.997 18.767 -2.329 221 HG SER 31 HG SER 31 -2.822 21.033 -2.310 222 H ARG 32 HN ARG 32 -7.057 18.053 -3.458 223 HA ARG 32 HA ARG 32 -6.447 15.312 -2.578 224 HB2 ARG 32 3HB ARG 32 -8.761 17.024 -1.637 225 HB3 ARG 32 2HB ARG 32 -8.425 15.371 -1.145 226 HG2 ARG 32 3HG ARG 32 -6.307 16.133 -0.131 227 HG3 ARG 32 2HG ARG 32 -6.734 17.793 -0.557 228 HD2 ARG 32 3HD ARG 32 -7.301 17.272 1.776 229 HD3 ARG 32 2HD ARG 32 -8.732 17.653 0.818 230 HE ARG 32 HE ARG 32 -7.942 14.862 1.326 231 HH11 ARG 32 1HH1 ARG 32 -10.308 17.442 1.524 232 HH12 ARG 32 2HH1 ARG 32 -11.609 16.384 1.980 233 HH21 ARG 32 1HH2 ARG 32 -9.645 13.473 1.914 234 HH22 ARG 32 2HH2 ARG 32 -11.238 14.118 2.190 235 H GLY 33 HN GLY 33 -8.061 13.720 -3.154 236 HA2 GLY 33 2HA GLY 33 -9.842 12.856 -4.376 237 HA3 GLY 33 1HA GLY 33 -10.237 14.485 -4.902 238 H GLY 34 HN GLY 34 -7.055 13.018 -5.277 239 HA2 GLY 34 2HA GLY 34 -7.501 13.139 -8.196 240 HA3 GLY 34 1HA GLY 34 -5.948 13.442 -7.431 241 H ASP 35 HN ASP 35 -4.936 11.562 -6.285 242 HA ASP 35 HA ASP 35 -6.017 8.956 -6.745 243 HB2 ASP 35 3HB ASP 35 -4.911 9.597 -8.969 244 HB3 ASP 35 2HB ASP 35 -3.378 9.458 -8.117 245 H CYS 36 HN CYS 36 -3.677 11.102 -5.419 246 HA CYS 36 HA CYS 36 -2.637 8.932 -3.731 247 HB2 CYS 36 3HB CYS 36 -1.598 11.767 -4.023 248 HB3 CYS 36 2HB CYS 36 -0.847 10.469 -3.101 249 HG CYS 36 HG CYS 36 -1.253 10.411 -6.498 250 H GLU 37 HN GLU 37 -4.319 8.697 -2.305 251 HA GLU 37 HA GLU 37 -5.138 11.077 -0.781 252 HB2 GLU 37 3HB GLU 37 -6.999 8.836 -1.596 253 HB3 GLU 37 2HB GLU 37 -7.431 10.340 -0.801 254 HG2 GLU 37 3HG GLU 37 -6.458 10.014 -3.627 255 HG3 GLU 37 2HG GLU 37 -8.093 10.408 -3.107 256 H GLY 38 HN GLY 38 -3.154 9.557 0.042 257 HA2 GLY 38 2HA GLY 38 -2.573 8.603 2.085 258 HA3 GLY 38 1HA GLY 38 -4.263 8.214 2.374 259 H CYS 39 HN CYS 39 -1.676 7.424 0.082 260 HA CYS 39 HA CYS 39 -1.779 4.656 0.656 261 HB2 CYS 39 3HB CYS 39 -3.823 4.748 -0.675 262 HB3 CYS 39 2HB CYS 39 -2.964 5.560 -1.978 263 H SER 40 HN SER 40 -1.246 5.991 -2.560 264 HA SER 40 HA SER 40 1.131 4.657 -2.964 265 HB2 SER 40 3HB SER 40 1.435 6.344 -4.830 266 HB3 SER 40 2HB SER 40 -0.075 5.454 -4.784 267 HG SER 40 HG SER 40 0.045 7.960 -4.992 268 H GLY 41 HN GLY 41 0.825 8.133 -2.465 269 HA2 GLY 41 2HA GLY 41 3.685 8.313 -1.835 270 HA3 GLY 41 1HA GLY 41 2.588 9.687 -1.879 271 H THR 42 HN THR 42 1.641 6.876 -0.120 272 HA THR 42 HA THR 42 2.183 8.342 2.383 273 HB THR 42 HB THR 42 -0.021 6.360 1.789 274 HG1 THR 42 1HG THR 42 -0.255 9.125 2.418 275 HG21 THR 42 1HG2 THR 42 0.712 6.241 4.130 276 HG22 THR 42 2HG2 THR 42 -0.891 6.965 3.999 277 HG23 THR 42 3HG2 THR 42 0.518 7.988 4.280 278 H ALA 43 HN ALA 43 3.363 7.410 3.894 279 HA ALA 43 HA ALA 43 4.749 4.976 3.260 280 HB1 ALA 43 1HB ALA 43 5.908 6.881 4.274 281 HB2 ALA 43 2HB ALA 43 6.034 5.438 5.279 282 HB3 ALA 43 3HB ALA 43 4.909 6.723 5.720 283 H CYS 44 HN CYS 44 4.204 3.078 3.761 284 HA CYS 44 HA CYS 44 2.471 2.524 6.068 285 HB2 CYS 44 3HB CYS 44 2.294 0.263 4.923 286 HB3 CYS 44 2HB CYS 44 1.522 1.612 4.098 287 H SER 45 HN SER 45 3.448 1.735 7.814 288 HA SER 45 HA SER 45 6.054 0.473 7.538 289 HB2 SER 45 3HB SER 45 4.424 0.463 10.090 290 HB3 SER 45 2HB SER 45 6.174 0.461 9.891 291 HG SER 45 HG SER 45 5.679 2.643 8.817 292 H SER 46 HN SER 46 2.694 -0.312 7.831 293 HA SER 46 HA SER 46 3.382 -3.163 7.827 294 HB2 SER 46 3HB SER 46 0.871 -1.825 8.839 295 HB3 SER 46 2HB SER 46 1.141 -3.567 8.797 296 HG SER 46 HG SER 46 2.875 -3.279 10.226 297 H ASP 47 HN ASP 47 2.544 -4.459 6.290 298 HA ASP 47 HA ASP 47 1.482 -3.522 3.894 299 HB2 ASP 47 3HB ASP 47 1.420 -6.296 5.077 300 HB3 ASP 47 2HB ASP 47 1.040 -5.910 3.402 301 H ALA 48 HN ALA 48 -0.211 -4.824 6.759 302 HA ALA 48 HA ALA 48 -2.641 -5.280 5.619 303 HB1 ALA 48 1HB ALA 48 -2.096 -4.364 8.431 304 HB2 ALA 48 2HB ALA 48 -2.014 -6.030 7.859 305 HB3 ALA 48 3HB ALA 48 -3.556 -5.176 7.867 306 H GLN 49 HN GLN 49 -1.122 -2.297 6.211 307 HA GLN 49 HA GLN 49 -3.452 -0.698 6.533 308 HB2 GLN 49 3HB GLN 49 -0.740 0.199 5.550 309 HB3 GLN 49 2HB GLN 49 -1.992 1.197 6.271 310 HG2 GLN 49 3HG GLN 49 -1.715 -0.172 8.366 311 HG3 GLN 49 2HG GLN 49 -0.291 -0.877 7.611 312 HE21 GLN 49 1HE2 GLN 49 -1.371 2.452 7.324 313 HE22 GLN 49 2HE2 GLN 49 -0.029 3.155 8.159 314 H CYS 50 HN CYS 50 -1.413 -1.713 3.840 315 HA CYS 50 HA CYS 50 -2.840 -0.144 1.895 316 HB2 CYS 50 3HB CYS 50 -0.969 -2.488 1.589 317 HB3 CYS 50 2HB CYS 50 -1.653 -1.595 0.239 318 H ARG 51 HN ARG 51 -2.894 -3.389 3.120 319 HA ARG 51 HA ARG 51 -4.768 -4.480 1.372 320 HB2 ARG 51 3HB ARG 51 -4.251 -5.118 4.281 321 HB3 ARG 51 2HB ARG 51 -5.201 -6.109 3.195 322 HG2 ARG 51 3HG ARG 51 -2.250 -5.594 3.128 323 HG3 ARG 51 2HG ARG 51 -3.101 -7.131 3.288 324 HD2 ARG 51 3HD ARG 51 -3.164 -5.360 0.852 325 HD3 ARG 51 2HD ARG 51 -2.132 -6.782 1.042 326 HE ARG 51 HE ARG 51 -4.808 -7.524 1.496 327 HH11 ARG 51 1HH1 ARG 51 -2.695 -6.542 -1.115 328 HH12 ARG 51 2HH1 ARG 51 -3.609 -7.376 -2.334 329 HH21 ARG 51 1HH2 ARG 51 -6.018 -8.606 -0.114 330 HH22 ARG 51 2HH2 ARG 51 -5.491 -8.546 -1.768 331 H ALA 52 HN ALA 52 -5.134 -2.805 4.471 332 HA ALA 52 HA ALA 52 -7.995 -2.856 4.418 333 HB1 ALA 52 1HB ALA 52 -6.736 -2.731 6.515 334 HB2 ALA 52 2HB ALA 52 -7.872 -1.393 6.352 335 HB3 ALA 52 3HB ALA 52 -6.153 -1.129 6.065 336 H ARG 53 HN ARG 53 -5.564 -0.758 3.077 337 HA ARG 53 HA ARG 53 -7.428 1.435 2.733 338 HB2 ARG 53 3HB ARG 53 -4.571 1.042 1.947 339 HB3 ARG 53 2HB ARG 53 -5.509 2.355 1.250 340 HG2 ARG 53 3HG ARG 53 -5.052 1.919 4.196 341 HG3 ARG 53 2HG ARG 53 -4.178 3.070 3.183 342 HD2 ARG 53 3HD ARG 53 -7.166 3.097 3.598 343 HD3 ARG 53 2HD ARG 53 -6.032 4.065 4.530 344 HE ARG 53 HE ARG 53 -5.436 5.196 2.442 345 HH11 ARG 53 1HH1 ARG 53 -8.391 3.303 2.414 346 HH12 ARG 53 2HH1 ARG 53 -9.155 4.274 1.194 347 HH21 ARG 53 1HH2 ARG 53 -6.488 6.524 0.876 348 HH22 ARG 53 2HH2 ARG 53 -8.096 6.110 0.351 349 H GLY 54 HN GLY 54 -7.397 -1.402 1.327 350 HA2 GLY 54 2HA GLY 54 -8.296 -2.212 -0.644 351 HA3 GLY 54 1HA GLY 54 -8.912 -0.588 -0.918 352 H CYS 55 HN CYS 55 -5.565 -0.758 -0.415 353 HA CYS 55 HA CYS 55 -5.138 -0.034 -3.185 354 HB2 CYS 55 3HB CYS 55 -3.361 0.122 -0.759 355 HB3 CYS 55 2HB CYS 55 -2.740 0.400 -2.390 356 H ASP 56 HN ASP 56 -2.643 -1.962 -1.525 357 HA ASP 56 HA ASP 56 -3.387 -4.424 -2.629 358 HB2 ASP 56 3HB ASP 56 -2.909 -3.498 -4.800 359 HB3 ASP 56 2HB ASP 56 -1.382 -2.825 -4.237 360 H GLY 57 HN GLY 57 -0.309 -2.538 -2.250 361 HA2 GLY 57 2HA GLY 57 0.434 -4.432 -0.171 362 HA3 GLY 57 1HA GLY 57 1.364 -4.539 -1.652 363 H CYS 58 HN CYS 58 1.865 -3.656 1.235 364 HA CYS 58 HA CYS 58 3.000 -1.048 0.862 365 HB2 CYS 58 3HB CYS 58 2.363 -2.028 3.098 366 HB3 CYS 58 2HB CYS 58 3.743 -3.114 2.945 367 H SER 59 HN SER 59 5.028 -0.554 0.108 368 HA SER 59 HA SER 59 6.454 -2.792 -1.103 369 HB2 SER 59 3HB SER 59 7.001 0.174 -1.360 370 HB3 SER 59 2HB SER 59 7.638 -1.110 -2.388 371 HG SER 59 HG SER 59 4.875 -0.548 -2.080 372 H THR 60 HN THR 60 8.875 -2.913 -0.901 373 HA THR 60 HA THR 60 9.621 -3.001 1.793 374 HB THR 60 HB THR 60 12.018 -3.136 0.667 375 HG1 THR 60 1HG THR 60 11.000 -4.241 -1.519 376 HG21 THR 60 1HG2 THR 60 11.589 -5.524 0.288 377 HG22 THR 60 2HG2 THR 60 9.852 -5.222 0.363 378 HG23 THR 60 3HG2 THR 60 10.855 -4.967 1.792 379 H SER 61 HN SER 61 9.330 -0.064 0.205 380 HA SER 61 HA SER 61 11.337 1.052 2.012 381 HB2 SER 61 3HB SER 61 11.779 1.387 -0.463 382 HB3 SER 61 2HB SER 61 10.331 2.392 -0.500 383 HG SER 61 HG SER 61 11.941 3.805 -0.135 384 H GLY 62 HN GLY 62 8.449 0.339 2.399 385 HA2 GLY 62 2HA GLY 62 6.705 1.181 3.591 386 HA3 GLY 62 1HA GLY 62 7.758 2.515 4.020 387 H VAL 63 HN VAL 63 6.389 1.531 0.867 388 HA VAL 63 HA VAL 63 4.706 3.936 0.982 389 HB VAL 63 HB VAL 63 4.955 4.297 -1.449 390 HG11 VAL 63 1HG1 VAL 63 7.205 5.289 -1.388 391 HG12 VAL 63 2HG1 VAL 63 7.545 4.400 0.097 392 HG13 VAL 63 3HG1 VAL 63 6.284 5.632 0.077 393 HG21 VAL 63 1HG2 VAL 63 5.637 2.040 -2.103 394 HG22 VAL 63 2HG2 VAL 63 7.175 2.257 -1.267 395 HG23 VAL 63 3HG2 VAL 63 6.792 3.245 -2.675 396 H CYS 64 HN CYS 64 2.731 3.762 -0.286 397 HA CYS 64 HA CYS 64 1.846 0.946 -0.124 398 HB2 CYS 64 3HB CYS 64 0.851 2.762 1.415 399 HB3 CYS 64 2HB CYS 64 0.072 3.380 -0.029 400 H VAL 65 HN VAL 65 1.670 0.026 -2.110 401 HA VAL 65 HA VAL 65 0.466 1.574 -4.289 402 HB VAL 65 HB VAL 65 2.283 1.271 -5.822 403 HG11 VAL 65 1HG1 VAL 65 2.516 3.180 -4.383 404 HG12 VAL 65 2HG1 VAL 65 4.100 2.501 -4.758 405 HG13 VAL 65 3HG1 VAL 65 3.356 2.195 -3.188 406 HG21 VAL 65 1HG2 VAL 65 4.379 0.156 -5.227 407 HG22 VAL 65 2HG2 VAL 65 3.010 -0.953 -5.143 408 HG23 VAL 65 3HG2 VAL 65 3.695 -0.285 -3.662 409 H LEU 66 HN LEU 66 0.429 0.083 -6.361 410 HA LEU 66 HA LEU 66 -0.278 -2.623 -5.768 411 HB2 LEU 66 3HB LEU 66 -1.100 -1.364 -7.754 412 HB3 LEU 66 2HB LEU 66 0.533 -1.344 -8.388 413 HG LEU 66 HG LEU 66 0.445 -3.866 -8.428 414 HD11 LEU 66 1HD1 LEU 66 -1.756 -4.915 -8.398 415 HD12 LEU 66 2HD1 LEU 66 -2.492 -3.372 -7.965 416 HD13 LEU 66 3HD1 LEU 66 -1.388 -4.167 -6.844 417 HD21 LEU 66 1HD2 LEU 66 -1.548 -2.357 -10.111 418 HD22 LEU 66 2HD2 LEU 66 -0.877 -3.944 -10.484 419 HD23 LEU 66 3HD2 LEU 66 0.175 -2.530 -10.441 420 H SER 67 HN SER 67 1.501 -3.415 -4.577 421 HA SER 67 HA SER 67 4.169 -3.090 -5.686 422 HB2 SER 67 3HB SER 67 3.713 -2.832 -3.180 423 HB3 SER 67 2HB SER 67 3.532 -4.592 -3.122 424 HG SER 67 HG SER 67 5.815 -3.086 -3.882 425 H SER 68 HN SER 68 5.636 -5.226 -5.382 426 HA SER 68 HA SER 68 4.296 -7.147 -7.141 427 HB2 SER 68 3HB SER 68 7.263 -6.738 -6.712 428 HB3 SER 68 2HB SER 68 6.496 -7.690 -7.984 429 HG SER 68 HG SER 68 7.199 -5.513 -8.584 430 H LEU 69 HN LEU 69 3.305 -8.264 -5.365 431 HA LEU 69 HA LEU 69 4.801 -9.452 -3.273 432 HB2 LEU 69 3HB LEU 69 2.846 -10.719 -2.747 433 HB3 LEU 69 2HB LEU 69 2.340 -9.105 -3.199 434 HG LEU 69 HG LEU 69 2.255 -11.390 -5.160 435 HD11 LEU 69 1HD1 LEU 69 -0.084 -11.706 -4.575 436 HD12 LEU 69 2HD1 LEU 69 0.063 -10.512 -3.286 437 HD13 LEU 69 3HD1 LEU 69 0.954 -12.030 -3.188 438 HD21 LEU 69 1HD2 LEU 69 0.772 -8.770 -4.981 439 HD22 LEU 69 2HD2 LEU 69 0.535 -10.002 -6.220 440 HD23 LEU 69 3HD2 LEU 69 2.074 -9.156 -6.105 441 H HIS 70 HN HIS 70 3.954 -10.477 -6.512 442 HA HIS 70 HA HIS 70 5.130 -13.111 -6.073 443 HB2 HIS 70 3HB HIS 70 3.003 -12.921 -7.338 444 HB3 HIS 70 2HB HIS 70 3.825 -11.946 -8.548 445 HD1 HIS 70 1HD HIS 70 3.446 -15.461 -7.345 446 HD2 HIS 70 2HD HIS 70 5.447 -13.378 -10.334 447 HE1 HIS 70 1HE HIS 70 4.265 -17.210 -8.954 448 HE2 HIS 70 2HE HIS 70 5.295 -15.907 -10.852 449 H HIS 71 HN HIS 71 7.296 -12.656 -5.851 450 HA HIS 71 HA HIS 71 8.607 -11.577 -8.247 451 HB2 HIS 71 3HB HIS 71 10.447 -10.797 -6.623 452 HB3 HIS 71 2HB HIS 71 8.963 -9.859 -6.699 453 HD1 HIS 71 1HD HIS 71 7.711 -9.521 -4.548 454 HD2 HIS 71 2HD HIS 71 10.662 -12.438 -4.239 455 HE1 HIS 71 1HE HIS 71 7.860 -10.085 -2.104 456 HE2 HIS 71 2HE HIS 71 9.754 -11.732 -1.923 457 H HIS 72 HN HIS 72 8.647 -13.778 -8.920 458 HA HIS 72 HA HIS 72 10.399 -15.602 -7.465 459 HB2 HIS 72 3HB HIS 72 8.195 -16.290 -8.564 460 HB3 HIS 72 2HB HIS 72 9.010 -16.084 -10.107 461 HD1 HIS 72 1HD HIS 72 10.178 -18.094 -10.987 462 HD2 HIS 72 2HD HIS 72 9.490 -18.347 -6.896 463 HE1 HIS 72 1HE HIS 72 10.906 -20.406 -10.323 464 HE2 HIS 72 2HE HIS 72 10.319 -20.591 -7.882 465 H HIS 73 HN HIS 73 12.532 -15.363 -7.801 466 HA HIS 73 HA HIS 73 13.411 -14.067 -10.260 467 HB2 HIS 73 3HB HIS 73 14.753 -14.518 -7.608 468 HB3 HIS 73 2HB HIS 73 15.642 -13.955 -9.019 469 HD1 HIS 73 1HD HIS 73 15.179 -11.545 -9.832 470 HD2 HIS 73 2HD HIS 73 13.040 -12.637 -6.439 471 HE1 HIS 73 1HE HIS 73 14.237 -9.406 -8.909 472 HE2 HIS 73 2HE HIS 73 13.090 -10.074 -6.769 473 H HIS 74 HN HIS 74 12.598 -16.610 -10.723 474 HA HIS 74 HA HIS 74 13.216 -18.412 -11.952 475 HB2 HIS 74 3HB HIS 74 15.705 -16.755 -12.376 476 HB3 HIS 74 2HB HIS 74 15.301 -18.201 -13.292 477 HD1 HIS 74 1HD HIS 74 13.996 -17.828 -15.369 478 HD2 HIS 74 2HD HIS 74 13.686 -14.628 -12.742 479 HE1 HIS 74 1HE HIS 74 12.711 -16.059 -16.607 480 HE2 HIS 74 2HE HIS 74 12.711 -14.065 -15.068 481 H HIS 75 HN HIS 75 13.920 -18.462 -9.074 482 HA HIS 75 HA HIS 75 15.831 -20.661 -9.326 483 HB2 HIS 75 3HB HIS 75 17.038 -20.060 -7.325 484 HB3 HIS 75 2HB HIS 75 17.072 -18.704 -8.440 485 HD1 HIS 75 1HD HIS 75 15.771 -19.754 -5.098 486 HD2 HIS 75 2HD HIS 75 15.769 -16.388 -7.536 487 HE1 HIS 75 1HE HIS 75 14.997 -17.863 -3.637 488 HE2 HIS 75 2HE HIS 75 15.029 -15.827 -5.121 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -14.216 -7.475 -21.827 2 H2 MET 1 2HT MET 1 -12.646 -8.105 -21.773 3 H3 MET 1 3HT MET 1 -13.625 -8.403 -23.119 4 HA MET 1 HA MET 1 -12.495 -5.809 -22.259 5 HB2 MET 1 3HB MET 1 -10.938 -7.340 -23.417 6 HB3 MET 1 2HB MET 1 -12.060 -7.448 -24.762 7 HG2 MET 1 3HG MET 1 -10.260 -5.935 -25.283 8 HG3 MET 1 2HG MET 1 -11.788 -5.064 -25.191 9 HE1 MET 1 1HE MET 1 -9.080 -2.499 -23.918 10 HE2 MET 1 2HE MET 1 -10.324 -2.815 -25.129 11 HE3 MET 1 3HE MET 1 -8.832 -3.756 -25.130 12 H CYS 2 HN CYS 2 -14.370 -7.415 -24.850 13 HA CYS 2 HA CYS 2 -15.401 -4.859 -25.736 14 HB2 CYS 2 3HB CYS 2 -16.034 -7.648 -26.719 15 HB3 CYS 2 2HB CYS 2 -16.450 -6.140 -27.528 16 HG CYS 2 HG CYS 2 -14.043 -5.546 -28.471 17 H GLU 3 HN GLU 3 -16.205 -5.140 -23.217 18 HA GLU 3 HA GLU 3 -19.039 -4.939 -23.495 19 HB2 GLU 3 3HB GLU 3 -19.753 -6.634 -21.983 20 HB3 GLU 3 2HB GLU 3 -18.688 -7.432 -23.126 21 HG2 GLU 3 3HG GLU 3 -17.861 -6.522 -20.378 22 HG3 GLU 3 2HG GLU 3 -18.395 -8.153 -20.774 23 H PHE 4 HN PHE 4 -19.869 -4.719 -20.961 24 HA PHE 4 HA PHE 4 -17.933 -2.829 -19.763 25 HB2 PHE 4 3HB PHE 4 -20.942 -2.941 -19.317 26 HB3 PHE 4 2HB PHE 4 -19.829 -1.740 -18.681 27 HD1 PHE 4 1HD PHE 4 -21.989 -2.598 -21.369 28 HD2 PHE 4 2HD PHE 4 -18.558 -0.292 -20.360 29 HE1 PHE 4 1HE PHE 4 -22.344 -1.205 -23.366 30 HE2 PHE 4 2HE PHE 4 -18.911 1.108 -22.352 31 HZ PHE 4 HZ PHE 4 -20.805 0.653 -23.856 32 H ILE 5 HN ILE 5 -16.878 -3.730 -18.167 33 HA ILE 5 HA ILE 5 -17.840 -6.057 -16.795 34 HB ILE 5 HB ILE 5 -15.378 -5.536 -17.252 35 HG12 ILE 5 3HG1 ILE 5 -16.223 -6.355 -14.472 36 HG13 ILE 5 2HG1 ILE 5 -16.125 -7.412 -15.875 37 HG21 ILE 5 1HG2 ILE 5 -14.373 -4.446 -15.067 38 HG22 ILE 5 2HG2 ILE 5 -15.905 -3.572 -15.074 39 HG23 ILE 5 3HG2 ILE 5 -14.807 -3.456 -16.452 40 HD11 ILE 5 1HD1 ILE 5 -13.707 -7.061 -15.963 41 HD12 ILE 5 2HD1 ILE 5 -14.220 -7.723 -14.410 42 HD13 ILE 5 3HD1 ILE 5 -13.813 -6.013 -14.549 43 H GLU 6 HN GLU 6 -19.530 -3.756 -16.575 44 HA GLU 6 HA GLU 6 -20.723 -2.484 -15.048 45 HB2 GLU 6 3HB GLU 6 -19.736 -4.716 -13.308 46 HB3 GLU 6 2HB GLU 6 -20.752 -3.438 -12.667 47 HG2 GLU 6 3HG GLU 6 -22.205 -5.207 -13.158 48 HG3 GLU 6 2HG GLU 6 -22.423 -4.046 -14.461 49 H ASP 7 HN ASP 7 -18.315 -1.455 -15.653 50 HA ASP 7 HA ASP 7 -16.679 -0.701 -13.482 51 HB2 ASP 7 3HB ASP 7 -15.798 1.034 -14.986 52 HB3 ASP 7 2HB ASP 7 -15.926 -0.524 -15.797 53 H SER 8 HN SER 8 -19.726 -0.149 -13.440 54 HA SER 8 HA SER 8 -19.885 2.629 -12.708 55 HB2 SER 8 3HB SER 8 -21.885 0.424 -12.186 56 HB3 SER 8 2HB SER 8 -22.189 2.161 -12.180 57 HG SER 8 HG SER 8 -21.381 2.008 -14.470 58 H GLU 9 HN GLU 9 -18.255 0.351 -11.443 59 HA GLU 9 HA GLU 9 -18.793 -0.663 -9.075 60 HB2 GLU 9 3HB GLU 9 -16.392 -0.466 -8.572 61 HB3 GLU 9 2HB GLU 9 -16.694 -0.906 -10.252 62 HG2 GLU 9 3HG GLU 9 -16.465 1.528 -10.823 63 HG3 GLU 9 2HG GLU 9 -15.909 1.789 -9.173 64 H ASP 10 HN ASP 10 -18.505 2.808 -9.428 65 HA ASP 10 HA ASP 10 -17.753 3.240 -6.687 66 HB2 ASP 10 3HB ASP 10 -18.753 5.205 -8.755 67 HB3 ASP 10 2HB ASP 10 -18.088 5.631 -7.182 68 H ILE 11 HN ILE 11 -19.577 1.908 -5.807 69 HA ILE 11 HA ILE 11 -22.211 2.965 -5.916 70 HB ILE 11 HB ILE 11 -22.539 1.639 -3.731 71 HG12 ILE 11 3HG1 ILE 11 -19.913 1.400 -3.566 72 HG13 ILE 11 2HG1 ILE 11 -20.981 0.114 -3.026 73 HG21 ILE 11 1HG2 ILE 11 -23.471 1.015 -5.830 74 HG22 ILE 11 2HG2 ILE 11 -22.832 -0.423 -5.030 75 HG23 ILE 11 3HG2 ILE 11 -21.937 0.322 -6.355 76 HD11 ILE 11 1HD1 ILE 11 -19.079 -0.726 -4.310 77 HD12 ILE 11 2HD1 ILE 11 -19.610 0.212 -5.703 78 HD13 ILE 11 3HD1 ILE 11 -20.616 -1.097 -5.087 79 H GLN 12 HN GLN 12 -19.494 3.495 -3.743 80 HA GLN 12 HA GLN 12 -20.924 5.007 -1.846 81 HB2 GLN 12 3HB GLN 12 -18.782 5.866 -1.080 82 HB3 GLN 12 2HB GLN 12 -18.680 4.136 -1.363 83 HG2 GLN 12 3HG GLN 12 -17.751 6.192 -3.345 84 HG3 GLN 12 2HG GLN 12 -16.710 5.482 -2.111 85 HE21 GLN 12 1HE2 GLN 12 -16.574 5.363 -5.029 86 HE22 GLN 12 2HE2 GLN 12 -16.574 3.678 -5.420 87 H GLY 13 HN GLY 13 -19.880 5.656 -5.016 88 HA2 GLY 13 2HA GLY 13 -20.577 8.497 -4.702 89 HA3 GLY 13 1HA GLY 13 -19.576 7.850 -5.994 90 H LEU 14 HN LEU 14 -22.361 6.062 -5.005 91 HA LEU 14 HA LEU 14 -24.427 5.716 -5.873 92 HB2 LEU 14 3HB LEU 14 -23.962 8.245 -7.450 93 HB3 LEU 14 2HB LEU 14 -25.494 7.410 -7.287 94 HG LEU 14 HG LEU 14 -23.974 8.719 -5.028 95 HD11 LEU 14 1HD1 LEU 14 -26.436 9.596 -6.527 96 HD12 LEU 14 2HD1 LEU 14 -24.852 10.372 -6.558 97 HD13 LEU 14 3HD1 LEU 14 -25.799 10.362 -5.072 98 HD21 LEU 14 1HD2 LEU 14 -25.303 6.808 -4.288 99 HD22 LEU 14 2HD2 LEU 14 -26.722 7.478 -5.093 100 HD23 LEU 14 3HD2 LEU 14 -26.001 8.326 -3.726 101 H LYS 15 HN LYS 15 -24.126 3.892 -6.936 102 HA LYS 15 HA LYS 15 -22.340 3.484 -9.036 103 HB2 LYS 15 3HB LYS 15 -23.100 1.621 -7.682 104 HB3 LYS 15 2HB LYS 15 -24.746 1.804 -8.276 105 HG2 LYS 15 3HG LYS 15 -24.222 0.958 -10.358 106 HG3 LYS 15 2HG LYS 15 -22.493 1.272 -10.164 107 HD2 LYS 15 3HD LYS 15 -22.424 -0.456 -8.389 108 HD3 LYS 15 2HD LYS 15 -24.121 -0.813 -8.707 109 HE2 LYS 15 3HE LYS 15 -21.916 -1.026 -10.753 110 HE3 LYS 15 2HE LYS 15 -22.532 -2.379 -9.807 111 HZ1 LYS 15 1HZ LYS 15 -24.200 -0.711 -11.604 112 HZ2 LYS 15 2HZ LYS 15 -24.673 -2.130 -10.802 113 HZ3 LYS 15 3HZ LYS 15 -23.520 -2.194 -12.044 114 H SER 16 HN SER 16 -25.831 4.119 -9.187 115 HA SER 16 HA SER 16 -25.393 4.887 -11.983 116 HB2 SER 16 3HB SER 16 -27.797 4.124 -12.381 117 HB3 SER 16 2HB SER 16 -26.605 2.843 -12.155 118 HG SER 16 HG SER 16 -28.487 2.482 -10.915 119 H LEU 17 HN LEU 17 -27.997 5.002 -9.620 120 HA LEU 17 HA LEU 17 -27.740 7.926 -9.552 121 HB2 LEU 17 3HB LEU 17 -29.699 7.304 -10.936 122 HB3 LEU 17 2HB LEU 17 -30.354 6.422 -9.571 123 HG LEU 17 HG LEU 17 -30.543 8.522 -8.303 124 HD11 LEU 17 1HD1 LEU 17 -28.723 9.770 -9.294 125 HD12 LEU 17 2HD1 LEU 17 -30.234 10.664 -9.468 126 HD13 LEU 17 3HD1 LEU 17 -29.557 9.799 -10.848 127 HD21 LEU 17 1HD2 LEU 17 -32.373 9.492 -9.586 128 HD22 LEU 17 2HD2 LEU 17 -32.433 7.730 -9.631 129 HD23 LEU 17 3HD2 LEU 17 -31.833 8.628 -11.024 130 H ARG 18 HN ARG 18 -28.924 5.029 -8.055 131 HA ARG 18 HA ARG 18 -28.036 6.019 -5.447 132 HB2 ARG 18 3HB ARG 18 -30.680 4.661 -6.021 133 HB3 ARG 18 2HB ARG 18 -30.014 4.857 -4.407 134 HG2 ARG 18 3HG ARG 18 -30.092 7.292 -4.688 135 HG3 ARG 18 2HG ARG 18 -30.793 7.073 -6.292 136 HD2 ARG 18 3HD ARG 18 -32.025 6.042 -3.743 137 HD3 ARG 18 2HD ARG 18 -32.456 7.572 -4.501 138 HE ARG 18 HE ARG 18 -32.810 5.761 -6.490 139 HH11 ARG 18 1HH1 ARG 18 -33.996 6.000 -3.202 140 HH12 ARG 18 2HH1 ARG 18 -35.475 5.159 -3.543 141 HH21 ARG 18 1HH2 ARG 18 -34.757 4.668 -6.937 142 HH22 ARG 18 2HH2 ARG 18 -35.908 4.402 -5.664 143 H LYS 19 HN LYS 19 -27.814 4.094 -3.894 144 HA LYS 19 HA LYS 19 -27.097 1.698 -5.446 145 HB2 LYS 19 3HB LYS 19 -25.260 1.227 -3.985 146 HB3 LYS 19 2HB LYS 19 -25.097 2.884 -4.535 147 HG2 LYS 19 3HG LYS 19 -26.344 2.226 -1.890 148 HG3 LYS 19 2HG LYS 19 -24.599 2.364 -2.085 149 HD2 LYS 19 3HD LYS 19 -24.851 4.650 -2.875 150 HD3 LYS 19 2HD LYS 19 -26.603 4.512 -2.749 151 HE2 LYS 19 3HE LYS 19 -26.370 4.108 -0.329 152 HE3 LYS 19 2HE LYS 19 -24.628 4.328 -0.481 153 HZ1 LYS 19 1HZ LYS 19 -26.687 6.380 -1.087 154 HZ2 LYS 19 2HZ LYS 19 -25.018 6.590 -1.232 155 HZ3 LYS 19 3HZ LYS 19 -25.706 6.342 0.290 156 H SER 20 HN SER 20 -29.608 2.426 -4.168 157 HA SER 20 HA SER 20 -29.835 0.692 -1.851 158 HB2 SER 20 3HB SER 20 -32.316 1.386 -2.151 159 HB3 SER 20 2HB SER 20 -31.153 2.620 -1.670 160 HG SER 20 HG SER 20 -32.755 2.850 -3.624 161 H HIS 21 HN HIS 21 -30.221 0.502 -5.289 162 HA HIS 21 HA HIS 21 -32.065 -1.660 -5.366 163 HB2 HIS 21 3HB HIS 21 -31.513 -1.827 -7.720 164 HB3 HIS 21 2HB HIS 21 -31.661 -0.130 -7.283 165 HD1 HIS 21 1HD HIS 21 -29.639 1.347 -7.694 166 HD2 HIS 21 2HD HIS 21 -28.829 -2.692 -8.199 167 HE1 HIS 21 1HE HIS 21 -27.331 1.240 -8.675 168 HE2 HIS 21 2HE HIS 21 -26.768 -1.222 -8.695 169 H THR 22 HN THR 22 -29.271 -1.710 -3.889 170 HA THR 22 HA THR 22 -27.751 -3.771 -5.164 171 HB THR 22 HB THR 22 -26.798 -3.894 -2.680 172 HG1 THR 22 1HG THR 22 -27.343 -1.253 -2.428 173 HG21 THR 22 1HG2 THR 22 -26.368 -1.572 -4.579 174 HG22 THR 22 2HG2 THR 22 -25.544 -3.129 -4.630 175 HG23 THR 22 3HG2 THR 22 -25.287 -2.040 -3.268 176 H SER 23 HN SER 23 -30.717 -4.474 -4.195 177 HA SER 23 HA SER 23 -30.286 -6.608 -2.349 178 HB2 SER 23 3HB SER 23 -32.663 -7.223 -3.088 179 HB3 SER 23 2HB SER 23 -32.458 -5.645 -2.328 180 HG SER 23 HG SER 23 -33.354 -6.243 -4.796 181 H LEU 24 HN LEU 24 -30.302 -6.188 -5.775 182 HA LEU 24 HA LEU 24 -29.452 -8.981 -6.101 183 HB2 LEU 24 3HB LEU 24 -31.157 -7.359 -7.994 184 HB3 LEU 24 2HB LEU 24 -30.464 -8.922 -8.374 185 HG LEU 24 HG LEU 24 -32.486 -8.410 -6.189 186 HD11 LEU 24 1HD1 LEU 24 -33.450 -8.116 -8.406 187 HD12 LEU 24 2HD1 LEU 24 -34.050 -9.590 -7.648 188 HD13 LEU 24 3HD1 LEU 24 -32.814 -9.683 -8.902 189 HD21 LEU 24 1HD2 LEU 24 -32.637 -10.858 -6.101 190 HD22 LEU 24 2HD2 LEU 24 -31.026 -10.282 -5.673 191 HD23 LEU 24 3HD2 LEU 24 -31.321 -10.974 -7.269 192 H GLU 25 HN GLU 25 -27.561 -7.280 -5.547 193 HA GLU 25 HA GLU 25 -25.964 -7.165 -7.885 194 HB2 GLU 25 3HB GLU 25 -27.329 -5.096 -8.204 195 HB3 GLU 25 2HB GLU 25 -26.721 -4.501 -6.666 196 HG2 GLU 25 3HG GLU 25 -24.469 -4.459 -7.522 197 HG3 GLU 25 2HG GLU 25 -25.003 -5.175 -9.041 198 H ASP 26 HN ASP 26 -24.665 -8.403 -6.657 199 HA ASP 26 HA ASP 26 -23.908 -7.979 -4.001 200 HB2 ASP 26 3HB ASP 26 -22.347 -9.348 -6.185 201 HB3 ASP 26 2HB ASP 26 -22.103 -9.569 -4.459 202 H ASP 27 HN ASP 27 -22.107 -7.100 -3.069 203 HA ASP 27 HA ASP 27 -21.051 -4.765 -4.360 204 HB2 ASP 27 3HB ASP 27 -21.626 -4.705 -1.978 205 HB3 ASP 27 2HB ASP 27 -20.462 -5.981 -1.653 206 H ASP 28 HN ASP 28 -20.177 -7.955 -4.022 207 HA ASP 28 HA ASP 28 -17.387 -7.886 -3.967 208 HB2 ASP 28 3HB ASP 28 -18.728 -9.916 -3.559 209 HB3 ASP 28 2HB ASP 28 -19.162 -9.949 -5.265 210 H ASP 29 HN ASP 29 -19.297 -8.751 -6.766 211 HA ASP 29 HA ASP 29 -17.168 -7.957 -8.547 212 HB2 ASP 29 3HB ASP 29 -18.698 -8.780 -10.338 213 HB3 ASP 29 2HB ASP 29 -18.352 -9.979 -9.097 214 H GLY 30 HN GLY 30 -19.838 -6.447 -7.143 215 HA2 GLY 30 2HA GLY 30 -20.455 -4.649 -9.296 216 HA3 GLY 30 1HA GLY 30 -21.010 -4.519 -7.635 217 H SER 31 HN SER 31 -17.868 -4.848 -7.183 218 HA SER 31 HA SER 31 -17.357 -1.957 -7.346 219 HB2 SER 31 3HB SER 31 -16.126 -3.997 -5.480 220 HB3 SER 31 2HB SER 31 -15.817 -2.261 -5.467 221 HG SER 31 HG SER 31 -18.071 -3.693 -4.631 222 H ARG 32 HN ARG 32 -16.888 -4.013 -9.449 223 HA ARG 32 HA ARG 32 -13.948 -3.881 -9.596 224 HB2 ARG 32 3HB ARG 32 -15.749 -5.713 -11.193 225 HB3 ARG 32 2HB ARG 32 -13.996 -5.737 -11.138 226 HG2 ARG 32 3HG ARG 32 -14.145 -6.298 -8.716 227 HG3 ARG 32 2HG ARG 32 -15.891 -6.453 -8.918 228 HD2 ARG 32 3HD ARG 32 -13.727 -8.087 -10.224 229 HD3 ARG 32 2HD ARG 32 -14.955 -8.637 -9.089 230 HE ARG 32 HE ARG 32 -16.445 -7.732 -11.130 231 HH11 ARG 32 1HH1 ARG 32 -13.674 -9.866 -11.039 232 HH12 ARG 32 2HH1 ARG 32 -14.152 -10.760 -12.444 233 HH21 ARG 32 1HH2 ARG 32 -17.079 -8.902 -12.988 234 HH22 ARG 32 2HH2 ARG 32 -16.092 -10.211 -13.557 235 H GLY 33 HN GLY 33 -13.080 -3.681 -11.835 236 HA2 GLY 33 2HA GLY 33 -13.944 -2.836 -14.127 237 HA3 GLY 33 1HA GLY 33 -14.499 -1.478 -13.157 238 H GLY 34 HN GLY 34 -13.085 0.018 -12.445 239 HA2 GLY 34 2HA GLY 34 -10.258 -0.336 -13.246 240 HA3 GLY 34 1HA GLY 34 -11.073 1.222 -13.109 241 H ASP 35 HN ASP 35 -10.751 -1.656 -11.084 242 HA ASP 35 HA ASP 35 -10.966 -0.084 -8.696 243 HB2 ASP 35 3HB ASP 35 -10.836 -2.276 -7.540 244 HB3 ASP 35 2HB ASP 35 -12.072 -2.237 -8.789 245 H CYS 36 HN CYS 36 -8.682 0.646 -10.111 246 HA CYS 36 HA CYS 36 -6.535 -0.339 -8.352 247 HB2 CYS 36 3HB CYS 36 -6.276 1.082 -11.015 248 HB3 CYS 36 2HB CYS 36 -4.950 0.468 -10.033 249 HG CYS 36 HG CYS 36 -6.724 -2.122 -10.370 250 H GLU 37 HN GLU 37 -7.049 0.976 -6.629 251 HA GLU 37 HA GLU 37 -6.543 3.844 -7.052 252 HB2 GLU 37 3HB GLU 37 -8.229 2.521 -4.914 253 HB3 GLU 37 2HB GLU 37 -7.857 4.237 -4.983 254 HG2 GLU 37 3HG GLU 37 -8.999 4.342 -7.181 255 HG3 GLU 37 2HG GLU 37 -9.471 2.657 -6.970 256 H GLY 38 HN GLY 38 -4.299 2.839 -6.948 257 HA2 GLY 38 2HA GLY 38 -3.279 1.995 -4.418 258 HA3 GLY 38 1HA GLY 38 -2.301 2.545 -5.776 259 H CYS 39 HN CYS 39 -2.539 3.134 -2.720 260 HA CYS 39 HA CYS 39 -3.029 6.008 -2.776 261 HB2 CYS 39 3HB CYS 39 -2.389 4.229 -0.415 262 HB3 CYS 39 2HB CYS 39 -2.968 5.889 -0.353 263 H SER 40 HN SER 40 -0.958 5.655 -4.246 264 HA SER 40 HA SER 40 1.497 5.224 -2.880 265 HB2 SER 40 3HB SER 40 1.347 4.634 -5.147 266 HB3 SER 40 2HB SER 40 0.855 6.251 -5.638 267 HG SER 40 HG SER 40 3.137 5.657 -5.982 268 H GLY 41 HN GLY 41 3.172 6.703 -2.487 269 HA2 GLY 41 2HA GLY 41 3.811 8.982 -1.817 270 HA3 GLY 41 1HA GLY 41 2.115 9.430 -1.984 271 H THR 42 HN THR 42 1.227 6.927 -0.559 272 HA THR 42 HA THR 42 1.611 7.982 2.137 273 HB THR 42 HB THR 42 -0.099 5.678 1.172 274 HG1 THR 42 1HG THR 42 -0.574 8.438 1.587 275 HG21 THR 42 1HG2 THR 42 -0.076 7.117 3.830 276 HG22 THR 42 2HG2 THR 42 0.496 5.473 3.544 277 HG23 THR 42 3HG2 THR 42 -1.214 5.857 3.347 278 H ALA 43 HN ALA 43 2.699 6.975 3.751 279 HA ALA 43 HA ALA 43 4.473 4.802 2.891 280 HB1 ALA 43 1HB ALA 43 5.524 6.835 3.778 281 HB2 ALA 43 2HB ALA 43 5.869 5.425 4.779 282 HB3 ALA 43 3HB ALA 43 4.667 6.604 5.302 283 H CYS 44 HN CYS 44 4.314 2.903 3.555 284 HA CYS 44 HA CYS 44 2.617 2.210 5.847 285 HB2 CYS 44 3HB CYS 44 2.818 -0.098 4.914 286 HB3 CYS 44 2HB CYS 44 2.045 1.048 3.821 287 H SER 45 HN SER 45 3.571 1.606 7.679 288 HA SER 45 HA SER 45 6.212 0.378 7.555 289 HB2 SER 45 3HB SER 45 5.630 0.078 10.110 290 HB3 SER 45 2HB SER 45 6.093 1.665 9.494 291 HG SER 45 HG SER 45 4.280 2.142 10.519 292 H SER 46 HN SER 46 2.829 -0.375 7.757 293 HA SER 46 HA SER 46 3.489 -3.229 7.938 294 HB2 SER 46 3HB SER 46 0.871 -1.892 8.629 295 HB3 SER 46 2HB SER 46 1.266 -3.597 8.849 296 HG SER 46 HG SER 46 3.022 -2.794 10.247 297 H ASP 47 HN ASP 47 2.689 -4.619 6.405 298 HA ASP 47 HA ASP 47 1.895 -3.687 3.905 299 HB2 ASP 47 3HB ASP 47 1.674 -6.418 5.148 300 HB3 ASP 47 2HB ASP 47 1.239 -6.091 3.475 301 H ALA 48 HN ALA 48 -0.120 -5.099 6.500 302 HA ALA 48 HA ALA 48 -2.409 -5.295 5.003 303 HB1 ALA 48 1HB ALA 48 -3.565 -5.598 7.125 304 HB2 ALA 48 2HB ALA 48 -2.144 -4.997 7.980 305 HB3 ALA 48 3HB ALA 48 -2.055 -6.505 7.073 306 H GLN 49 HN GLN 49 -1.018 -2.432 6.310 307 HA GLN 49 HA GLN 49 -3.537 -1.183 6.888 308 HB2 GLN 49 3HB GLN 49 -2.289 0.806 7.454 309 HB3 GLN 49 2HB GLN 49 -1.556 -0.600 8.208 310 HG2 GLN 49 3HG GLN 49 0.169 -0.620 6.477 311 HG3 GLN 49 2HG GLN 49 -0.568 0.800 5.737 312 HE21 GLN 49 1HE2 GLN 49 -1.255 1.994 8.302 313 HE22 GLN 49 2HE2 GLN 49 0.228 2.598 8.957 314 H CYS 50 HN CYS 50 -1.406 -1.356 4.142 315 HA CYS 50 HA CYS 50 -2.988 0.748 2.807 316 HB2 CYS 50 3HB CYS 50 -1.029 -0.783 1.207 317 HB3 CYS 50 2HB CYS 50 -1.378 0.935 1.213 318 H ARG 51 HN ARG 51 -2.053 -2.613 2.437 319 HA ARG 51 HA ARG 51 -3.644 -3.445 0.400 320 HB2 ARG 51 3HB ARG 51 -2.076 -4.963 1.243 321 HB3 ARG 51 2HB ARG 51 -2.627 -4.763 2.900 322 HG2 ARG 51 3HG ARG 51 -3.249 -6.924 2.072 323 HG3 ARG 51 2HG ARG 51 -4.667 -5.914 2.355 324 HD2 ARG 51 3HD ARG 51 -4.826 -5.435 -0.027 325 HD3 ARG 51 2HD ARG 51 -3.361 -6.367 -0.327 326 HE ARG 51 HE ARG 51 -5.202 -8.037 0.943 327 HH11 ARG 51 1HH1 ARG 51 -4.812 -6.339 -2.091 328 HH12 ARG 51 2HH1 ARG 51 -5.737 -7.485 -3.004 329 HH21 ARG 51 1HH2 ARG 51 -6.419 -9.563 -0.259 330 HH22 ARG 51 2HH2 ARG 51 -6.660 -9.315 -1.961 331 H ALA 52 HN ALA 52 -4.563 -3.418 3.874 332 HA ALA 52 HA ALA 52 -7.257 -4.216 3.200 333 HB1 ALA 52 1HB ALA 52 -7.703 -4.105 5.591 334 HB2 ALA 52 2HB ALA 52 -6.126 -3.363 5.863 335 HB3 ALA 52 3HB ALA 52 -6.231 -5.021 5.267 336 H ARG 53 HN ARG 53 -5.575 -1.315 3.233 337 HA ARG 53 HA ARG 53 -7.893 0.318 3.716 338 HB2 ARG 53 3HB ARG 53 -5.513 1.057 4.172 339 HB3 ARG 53 2HB ARG 53 -5.325 1.198 2.430 340 HG2 ARG 53 3HG ARG 53 -7.095 2.870 2.361 341 HG3 ARG 53 2HG ARG 53 -7.320 2.715 4.104 342 HD2 ARG 53 3HD ARG 53 -4.830 3.668 2.690 343 HD3 ARG 53 2HD ARG 53 -5.969 4.669 3.593 344 HE ARG 53 HE ARG 53 -5.048 2.656 5.300 345 HH11 ARG 53 1HH1 ARG 53 -3.794 5.459 3.621 346 HH12 ARG 53 2HH1 ARG 53 -2.579 5.781 4.813 347 HH21 ARG 53 1HH2 ARG 53 -3.449 3.066 6.853 348 HH22 ARG 53 2HH2 ARG 53 -2.357 4.400 6.639 349 H GLY 54 HN GLY 54 -7.194 -1.735 1.382 350 HA2 GLY 54 2HA GLY 54 -8.295 -2.039 -0.639 351 HA3 GLY 54 1HA GLY 54 -8.908 -0.395 -0.523 352 H CYS 55 HN CYS 55 -6.032 0.440 0.071 353 HA CYS 55 HA CYS 55 -5.371 1.452 -2.386 354 HB2 CYS 55 3HB CYS 55 -3.330 0.749 -0.262 355 HB3 CYS 55 2HB CYS 55 -3.184 1.969 -1.513 356 H ASP 56 HN ASP 56 -3.553 -1.416 -1.050 357 HA ASP 56 HA ASP 56 -4.127 -3.260 -2.934 358 HB2 ASP 56 3HB ASP 56 -3.211 -1.725 -4.699 359 HB3 ASP 56 2HB ASP 56 -1.654 -1.745 -3.872 360 H GLY 57 HN GLY 57 -1.038 -1.730 -1.849 361 HA2 GLY 57 2HA GLY 57 -0.897 -3.446 0.397 362 HA3 GLY 57 1HA GLY 57 0.098 -4.077 -0.904 363 H CYS 58 HN CYS 58 1.623 -3.777 0.796 364 HA CYS 58 HA CYS 58 2.811 -1.099 0.844 365 HB2 CYS 58 3HB CYS 58 2.227 -2.025 3.059 366 HB3 CYS 58 2HB CYS 58 3.187 -3.457 2.703 367 H SER 59 HN SER 59 4.776 -0.868 -0.086 368 HA SER 59 HA SER 59 6.009 -3.279 -1.190 369 HB2 SER 59 3HB SER 59 5.622 -1.163 -2.578 370 HB3 SER 59 2HB SER 59 6.918 -0.429 -1.635 371 HG SER 59 HG SER 59 7.373 -2.923 -2.842 372 H THR 60 HN THR 60 8.316 -3.735 -0.761 373 HA THR 60 HA THR 60 8.961 -3.590 1.950 374 HB THR 60 HB THR 60 11.365 -3.960 0.495 375 HG1 THR 60 1HG THR 60 10.409 -4.350 -1.414 376 HG21 THR 60 1HG2 THR 60 10.690 -5.141 2.537 377 HG22 THR 60 2HG2 THR 60 11.089 -6.273 1.247 378 HG23 THR 60 3HG2 THR 60 9.402 -5.949 1.645 379 H SER 61 HN SER 61 9.003 -0.852 0.154 380 HA SER 61 HA SER 61 11.385 0.195 1.474 381 HB2 SER 61 3HB SER 61 11.361 0.331 -1.019 382 HB3 SER 61 2HB SER 61 9.923 1.341 -0.914 383 HG SER 61 HG SER 61 11.898 2.297 0.672 384 H GLY 62 HN GLY 62 8.472 -0.174 2.408 385 HA2 GLY 62 2HA GLY 62 7.185 0.927 3.946 386 HA3 GLY 62 1HA GLY 62 8.421 2.170 3.998 387 H VAL 63 HN VAL 63 6.492 1.160 1.194 388 HA VAL 63 HA VAL 63 5.041 3.700 1.372 389 HB VAL 63 HB VAL 63 5.177 3.967 -1.108 390 HG11 VAL 63 1HG1 VAL 63 7.802 4.051 0.374 391 HG12 VAL 63 2HG1 VAL 63 6.568 5.311 0.366 392 HG13 VAL 63 3HG1 VAL 63 7.435 4.917 -1.118 393 HG21 VAL 63 1HG2 VAL 63 5.797 1.661 -1.666 394 HG22 VAL 63 2HG2 VAL 63 7.366 1.914 -0.903 395 HG23 VAL 63 3HG2 VAL 63 6.931 2.831 -2.338 396 H CYS 64 HN CYS 64 3.047 3.754 0.263 397 HA CYS 64 HA CYS 64 1.753 1.101 0.326 398 HB2 CYS 64 3HB CYS 64 0.616 3.872 0.833 399 HB3 CYS 64 2HB CYS 64 -0.403 2.493 0.529 400 H VAL 65 HN VAL 65 1.258 0.253 -1.569 401 HA VAL 65 HA VAL 65 0.855 1.910 -3.928 402 HB VAL 65 HB VAL 65 2.848 1.240 -5.094 403 HG11 VAL 65 1HG1 VAL 65 3.602 2.005 -2.295 404 HG12 VAL 65 2HG1 VAL 65 3.191 3.110 -3.610 405 HG13 VAL 65 3HG1 VAL 65 4.654 2.126 -3.707 406 HG21 VAL 65 1HG2 VAL 65 2.875 -1.088 -4.114 407 HG22 VAL 65 2HG2 VAL 65 3.725 -0.403 -2.727 408 HG23 VAL 65 3HG2 VAL 65 4.450 -0.328 -4.330 409 H LEU 66 HN LEU 66 1.040 0.232 -5.938 410 HA LEU 66 HA LEU 66 -0.423 -2.143 -5.415 411 HB2 LEU 66 3HB LEU 66 1.408 -1.614 -7.759 412 HB3 LEU 66 2HB LEU 66 0.048 -2.719 -7.697 413 HG LEU 66 HG LEU 66 -0.165 0.290 -7.566 414 HD11 LEU 66 1HD1 LEU 66 -1.091 0.125 -9.814 415 HD12 LEU 66 2HD1 LEU 66 -0.771 -1.609 -9.823 416 HD13 LEU 66 3HD1 LEU 66 0.570 -0.464 -9.759 417 HD21 LEU 66 1HD2 LEU 66 -2.564 -0.103 -7.870 418 HD22 LEU 66 2HD2 LEU 66 -1.967 -0.816 -6.371 419 HD23 LEU 66 3HD2 LEU 66 -2.286 -1.841 -7.771 420 H SER 67 HN SER 67 0.391 -3.924 -4.404 421 HA SER 67 HA SER 67 2.772 -3.733 -3.008 422 HB2 SER 67 3HB SER 67 1.544 -6.415 -3.700 423 HB3 SER 67 2HB SER 67 2.331 -5.915 -2.205 424 HG SER 67 HG SER 67 -0.166 -4.964 -3.195 425 H SER 68 HN SER 68 4.797 -5.056 -3.097 426 HA SER 68 HA SER 68 5.614 -5.485 -5.870 427 HB2 SER 68 3HB SER 68 7.946 -5.423 -4.769 428 HB3 SER 68 2HB SER 68 7.046 -3.909 -4.859 429 HG SER 68 HG SER 68 7.321 -5.630 -2.615 430 H LEU 69 HN LEU 69 4.985 -7.542 -6.286 431 HA LEU 69 HA LEU 69 5.484 -9.652 -4.361 432 HB2 LEU 69 3HB LEU 69 4.169 -9.606 -7.069 433 HB3 LEU 69 2HB LEU 69 4.495 -11.099 -6.219 434 HG LEU 69 HG LEU 69 2.222 -10.581 -5.834 435 HD11 LEU 69 1HD1 LEU 69 3.447 -11.378 -3.874 436 HD12 LEU 69 2HD1 LEU 69 2.097 -10.334 -3.435 437 HD13 LEU 69 3HD1 LEU 69 3.744 -9.709 -3.389 438 HD21 LEU 69 1HD2 LEU 69 1.453 -8.451 -4.909 439 HD22 LEU 69 2HD2 LEU 69 2.233 -8.242 -6.475 440 HD23 LEU 69 3HD2 LEU 69 3.098 -7.822 -4.997 441 H HIS 70 HN HIS 70 6.296 -11.780 -5.442 442 HA HIS 70 HA HIS 70 8.008 -12.983 -6.301 443 HB2 HIS 70 3HB HIS 70 8.239 -10.640 -8.196 444 HB3 HIS 70 2HB HIS 70 9.173 -12.122 -8.350 445 HD1 HIS 70 1HD HIS 70 8.117 -13.974 -9.645 446 HD2 HIS 70 2HD HIS 70 5.374 -11.055 -8.537 447 HE1 HIS 70 1HE HIS 70 5.989 -14.559 -10.840 448 HE2 HIS 70 2HE HIS 70 4.410 -12.668 -10.315 449 H HIS 71 HN HIS 71 9.213 -12.809 -4.337 450 HA HIS 71 HA HIS 71 11.151 -10.731 -4.020 451 HB2 HIS 71 3HB HIS 71 12.001 -11.956 -2.153 452 HB3 HIS 71 2HB HIS 71 10.255 -12.136 -2.121 453 HD1 HIS 71 1HD HIS 71 13.394 -14.044 -2.280 454 HD2 HIS 71 2HD HIS 71 9.340 -14.767 -2.840 455 HE1 HIS 71 1HE HIS 71 13.144 -16.545 -2.251 456 HE2 HIS 71 2HE HIS 71 10.712 -16.956 -2.763 457 H HIS 72 HN HIS 72 10.988 -13.746 -5.666 458 HA HIS 72 HA HIS 72 13.804 -13.588 -6.459 459 HB2 HIS 72 3HB HIS 72 12.764 -15.791 -5.792 460 HB3 HIS 72 2HB HIS 72 11.728 -15.664 -7.207 461 HD1 HIS 72 1HD HIS 72 12.559 -17.305 -8.839 462 HD2 HIS 72 2HD HIS 72 15.673 -15.293 -6.966 463 HE1 HIS 72 1HE HIS 72 14.663 -18.175 -9.905 464 HE2 HIS 72 2HE HIS 72 16.516 -16.811 -8.883 465 H HIS 73 HN HIS 73 14.368 -12.731 -8.386 466 HA HIS 73 HA HIS 73 14.191 -11.473 -10.258 467 HB2 HIS 73 3HB HIS 73 11.726 -13.163 -10.629 468 HB3 HIS 73 2HB HIS 73 12.126 -11.869 -11.752 469 HD1 HIS 73 1HD HIS 73 14.105 -12.245 -13.342 470 HD2 HIS 73 2HD HIS 73 13.400 -15.415 -10.749 471 HE1 HIS 73 1HE HIS 73 15.490 -14.150 -14.214 472 HE2 HIS 73 2HE HIS 73 14.906 -16.105 -12.737 473 H HIS 74 HN HIS 74 13.660 -10.264 -8.008 474 HA HIS 74 HA HIS 74 11.116 -8.895 -8.064 475 HB2 HIS 74 3HB HIS 74 11.984 -7.698 -6.069 476 HB3 HIS 74 2HB HIS 74 12.056 -9.445 -5.894 477 HD1 HIS 74 1HD HIS 74 14.209 -10.326 -5.043 478 HD2 HIS 74 2HD HIS 74 14.661 -6.592 -6.827 479 HE1 HIS 74 1HE HIS 74 16.610 -9.680 -4.673 480 HE2 HIS 74 2HE HIS 74 16.896 -7.490 -5.882 481 H HIS 75 HN HIS 75 11.219 -6.429 -7.740 482 HA HIS 75 HA HIS 75 12.692 -5.275 -9.943 483 HB2 HIS 75 3HB HIS 75 10.349 -4.591 -9.394 484 HB3 HIS 75 2HB HIS 75 10.940 -3.901 -7.887 485 HD1 HIS 75 1HD HIS 75 12.521 -1.778 -8.120 486 HD2 HIS 75 2HD HIS 75 10.636 -2.999 -11.616 487 HE1 HIS 75 1HE HIS 75 12.706 0.163 -9.701 488 HE2 HIS 75 2HE HIS 75 11.768 -0.691 -11.876 Start of MODEL 7 1 H1 MET 1 1HT MET 1 10.631 -5.015 -15.135 2 H2 MET 1 2HT MET 1 10.497 -6.428 -14.223 3 H3 MET 1 3HT MET 1 11.026 -4.998 -13.493 4 HA MET 1 HA MET 1 8.340 -5.488 -14.621 5 HB2 MET 1 3HB MET 1 9.339 -5.319 -11.781 6 HB3 MET 1 2HB MET 1 7.640 -5.199 -12.210 7 HG2 MET 1 3HG MET 1 7.688 -7.428 -13.144 8 HG3 MET 1 2HG MET 1 9.414 -7.551 -12.812 9 HE1 MET 1 1HE MET 1 7.784 -10.050 -10.260 10 HE2 MET 1 2HE MET 1 8.923 -9.869 -11.594 11 HE3 MET 1 3HE MET 1 7.192 -9.688 -11.880 12 H CYS 2 HN CYS 2 9.081 -3.494 -15.858 13 HA CYS 2 HA CYS 2 8.677 -1.051 -14.297 14 HB2 CYS 2 3HB CYS 2 9.192 0.092 -16.461 15 HB3 CYS 2 2HB CYS 2 10.488 -0.957 -15.899 16 HG CYS 2 HG CYS 2 8.537 -2.732 -17.836 17 H GLU 3 HN GLU 3 6.728 -3.253 -15.107 18 HA GLU 3 HA GLU 3 4.876 -1.949 -16.882 19 HB2 GLU 3 3HB GLU 3 4.692 -4.545 -15.338 20 HB3 GLU 3 2HB GLU 3 3.484 -3.981 -16.481 21 HG2 GLU 3 3HG GLU 3 4.859 -5.616 -17.553 22 HG3 GLU 3 2HG GLU 3 5.197 -4.042 -18.265 23 H PHE 4 HN PHE 4 3.962 -0.214 -16.000 24 HA PHE 4 HA PHE 4 2.735 -0.486 -13.310 25 HB2 PHE 4 3HB PHE 4 4.455 1.324 -13.565 26 HB3 PHE 4 2HB PHE 4 3.435 2.079 -14.785 27 HD1 PHE 4 1HD PHE 4 3.652 1.179 -11.216 28 HD2 PHE 4 2HD PHE 4 1.593 3.416 -14.192 29 HE1 PHE 4 1HE PHE 4 2.453 2.410 -9.457 30 HE2 PHE 4 2HE PHE 4 0.388 4.648 -12.440 31 HZ PHE 4 HZ PHE 4 0.818 4.148 -10.068 32 H ILE 5 HN ILE 5 0.678 -0.792 -13.325 33 HA ILE 5 HA ILE 5 -1.506 -1.105 -14.099 34 HB ILE 5 HB ILE 5 -1.467 1.228 -13.160 35 HG12 ILE 5 3HG1 ILE 5 -3.454 0.715 -15.378 36 HG13 ILE 5 2HG1 ILE 5 -3.537 0.038 -13.756 37 HG21 ILE 5 1HG2 ILE 5 -1.734 3.127 -14.683 38 HG22 ILE 5 2HG2 ILE 5 -1.376 2.071 -16.049 39 HG23 ILE 5 3HG2 ILE 5 -0.144 2.380 -14.827 40 HD11 ILE 5 1HD1 ILE 5 -5.047 1.925 -14.025 41 HD12 ILE 5 2HD1 ILE 5 -3.683 2.964 -14.442 42 HD13 ILE 5 3HD1 ILE 5 -3.801 2.267 -12.825 43 H GLU 6 HN GLU 6 0.096 -2.171 -15.843 44 HA GLU 6 HA GLU 6 -0.354 -1.078 -18.479 45 HB2 GLU 6 3HB GLU 6 1.227 -3.455 -17.509 46 HB3 GLU 6 2HB GLU 6 0.981 -3.119 -19.213 47 HG2 GLU 6 3HG GLU 6 2.286 -1.215 -17.283 48 HG3 GLU 6 2HG GLU 6 3.150 -2.329 -18.340 49 H ASP 7 HN ASP 7 -1.761 -3.324 -16.385 50 HA ASP 7 HA ASP 7 -2.700 -5.160 -18.390 51 HB2 ASP 7 3HB ASP 7 -3.437 -4.941 -15.467 52 HB3 ASP 7 2HB ASP 7 -3.844 -6.283 -16.532 53 H SER 8 HN SER 8 -3.602 -2.163 -18.055 54 HA SER 8 HA SER 8 -6.472 -2.523 -18.115 55 HB2 SER 8 3HB SER 8 -4.861 -0.080 -18.895 56 HB3 SER 8 2HB SER 8 -6.580 -0.137 -18.507 57 HG SER 8 HG SER 8 -5.778 -0.992 -16.379 58 H GLU 9 HN GLU 9 -3.944 -1.515 -20.408 59 HA GLU 9 HA GLU 9 -5.749 -1.962 -22.647 60 HB2 GLU 9 3HB GLU 9 -2.902 -0.953 -22.580 61 HB3 GLU 9 2HB GLU 9 -3.942 -0.988 -23.996 62 HG2 GLU 9 3HG GLU 9 -5.403 0.640 -23.060 63 HG3 GLU 9 2HG GLU 9 -4.599 0.547 -21.495 64 H ASP 10 HN ASP 10 -3.299 -3.617 -20.940 65 HA ASP 10 HA ASP 10 -2.640 -5.334 -23.203 66 HB2 ASP 10 3HB ASP 10 -0.836 -4.551 -21.689 67 HB3 ASP 10 2HB ASP 10 -1.601 -5.425 -20.364 68 H ILE 11 HN ILE 11 -4.301 -6.648 -23.620 69 HA ILE 11 HA ILE 11 -6.054 -7.775 -21.732 70 HB ILE 11 HB ILE 11 -5.407 -8.804 -24.503 71 HG12 ILE 11 3HG1 ILE 11 -7.564 -6.877 -23.610 72 HG13 ILE 11 2HG1 ILE 11 -6.093 -6.418 -24.459 73 HG21 ILE 11 1HG2 ILE 11 -6.618 -10.436 -23.153 74 HG22 ILE 11 2HG2 ILE 11 -7.647 -9.793 -24.432 75 HG23 ILE 11 3HG2 ILE 11 -7.843 -9.226 -22.773 76 HD11 ILE 11 1HD1 ILE 11 -8.274 -8.197 -25.525 77 HD12 ILE 11 2HD1 ILE 11 -6.795 -7.759 -26.380 78 HD13 ILE 11 3HD1 ILE 11 -7.980 -6.518 -25.973 79 H GLN 12 HN GLN 12 -2.932 -8.803 -22.892 80 HA GLN 12 HA GLN 12 -3.011 -11.511 -22.302 81 HB2 GLN 12 3HB GLN 12 -1.252 -10.443 -23.621 82 HB3 GLN 12 2HB GLN 12 -0.695 -9.580 -22.191 83 HG2 GLN 12 3HG GLN 12 -0.226 -11.729 -21.125 84 HG3 GLN 12 2HG GLN 12 -0.698 -12.543 -22.608 85 HE21 GLN 12 1HE2 GLN 12 0.531 -10.498 -24.305 86 HE22 GLN 12 2HE2 GLN 12 2.236 -10.772 -24.217 87 H GLY 13 HN GLY 13 -2.354 -8.708 -20.274 88 HA2 GLY 13 2HA GLY 13 -1.310 -9.967 -18.024 89 HA3 GLY 13 1HA GLY 13 -2.241 -8.477 -17.997 90 H LEU 14 HN LEU 14 -4.695 -9.437 -18.910 91 HA LEU 14 HA LEU 14 -5.718 -10.577 -16.498 92 HB2 LEU 14 3HB LEU 14 -7.051 -10.083 -19.162 93 HB3 LEU 14 2HB LEU 14 -7.892 -10.638 -17.733 94 HG LEU 14 HG LEU 14 -8.349 -8.343 -17.863 95 HD11 LEU 14 1HD1 LEU 14 -6.051 -8.639 -15.942 96 HD12 LEU 14 2HD1 LEU 14 -7.737 -9.042 -15.621 97 HD13 LEU 14 3HD1 LEU 14 -7.271 -7.367 -15.911 98 HD21 LEU 14 1HD2 LEU 14 -6.657 -6.610 -18.173 99 HD22 LEU 14 2HD2 LEU 14 -6.684 -7.738 -19.530 100 HD23 LEU 14 3HD2 LEU 14 -5.411 -7.851 -18.314 101 H LYS 15 HN LYS 15 -4.701 -11.774 -19.564 102 HA LYS 15 HA LYS 15 -5.922 -14.378 -19.272 103 HB2 LYS 15 3HB LYS 15 -5.455 -13.387 -21.510 104 HB3 LYS 15 2HB LYS 15 -3.731 -13.510 -21.182 105 HG2 LYS 15 3HG LYS 15 -3.967 -15.952 -21.018 106 HG3 LYS 15 2HG LYS 15 -5.674 -15.793 -21.435 107 HD2 LYS 15 3HD LYS 15 -5.103 -14.843 -23.581 108 HD3 LYS 15 2HD LYS 15 -3.390 -14.840 -23.160 109 HE2 LYS 15 3HE LYS 15 -5.144 -17.271 -23.482 110 HE3 LYS 15 2HE LYS 15 -3.924 -16.710 -24.623 111 HZ1 LYS 15 1HZ LYS 15 -3.001 -18.458 -23.328 112 HZ2 LYS 15 2HZ LYS 15 -3.467 -17.733 -21.878 113 HZ3 LYS 15 3HZ LYS 15 -2.262 -17.022 -22.827 114 H SER 16 HN SER 16 -3.268 -12.891 -17.872 115 HA SER 16 HA SER 16 -1.593 -15.252 -17.749 116 HB2 SER 16 3HB SER 16 -1.226 -12.527 -16.480 117 HB3 SER 16 2HB SER 16 -0.015 -13.807 -16.554 118 HG SER 16 HG SER 16 -1.219 -12.588 -18.828 119 H LEU 17 HN LEU 17 -4.338 -14.703 -16.355 120 HA LEU 17 HA LEU 17 -3.526 -15.612 -13.679 121 HB2 LEU 17 3HB LEU 17 -6.224 -14.684 -14.656 122 HB3 LEU 17 2HB LEU 17 -5.820 -15.105 -13.004 123 HG LEU 17 HG LEU 17 -4.704 -12.762 -14.548 124 HD11 LEU 17 1HD1 LEU 17 -5.971 -11.418 -12.932 125 HD12 LEU 17 2HD1 LEU 17 -6.662 -12.895 -12.260 126 HD13 LEU 17 3HD1 LEU 17 -7.021 -12.430 -13.923 127 HD21 LEU 17 1HD2 LEU 17 -3.060 -13.652 -12.992 128 HD22 LEU 17 2HD2 LEU 17 -4.251 -13.619 -11.691 129 HD23 LEU 17 3HD2 LEU 17 -3.691 -12.111 -12.414 130 H ARG 18 HN ARG 18 -3.578 -17.070 -16.243 131 HA ARG 18 HA ARG 18 -5.641 -18.933 -16.415 132 HB2 ARG 18 3HB ARG 18 -4.012 -18.575 -18.191 133 HB3 ARG 18 2HB ARG 18 -2.723 -19.183 -17.165 134 HG2 ARG 18 3HG ARG 18 -3.704 -21.395 -17.193 135 HG3 ARG 18 2HG ARG 18 -5.066 -20.801 -18.149 136 HD2 ARG 18 3HD ARG 18 -3.529 -20.187 -19.948 137 HD3 ARG 18 2HD ARG 18 -2.172 -20.771 -18.994 138 HE ARG 18 HE ARG 18 -3.199 -23.014 -19.173 139 HH11 ARG 18 1HH1 ARG 18 -4.144 -20.543 -21.464 140 HH12 ARG 18 2HH1 ARG 18 -4.474 -21.666 -22.743 141 HH21 ARG 18 1HH2 ARG 18 -3.639 -24.506 -20.861 142 HH22 ARG 18 2HH2 ARG 18 -4.182 -23.922 -22.402 143 H LYS 19 HN LYS 19 -6.251 -20.472 -15.098 144 HA LYS 19 HA LYS 19 -6.284 -22.165 -13.611 145 HB2 LYS 19 3HB LYS 19 -3.326 -22.290 -14.194 146 HB3 LYS 19 2HB LYS 19 -4.192 -23.474 -13.225 147 HG2 LYS 19 3HG LYS 19 -4.793 -22.833 -16.106 148 HG3 LYS 19 2HG LYS 19 -3.831 -24.202 -15.549 149 HD2 LYS 19 3HD LYS 19 -5.737 -25.114 -14.372 150 HD3 LYS 19 2HD LYS 19 -6.707 -23.699 -14.790 151 HE2 LYS 19 3HE LYS 19 -6.558 -24.255 -17.140 152 HE3 LYS 19 2HE LYS 19 -5.506 -25.620 -16.777 153 HZ1 LYS 19 1HZ LYS 19 -8.306 -25.345 -15.836 154 HZ2 LYS 19 2HZ LYS 19 -7.298 -26.681 -15.602 155 HZ3 LYS 19 3HZ LYS 19 -7.819 -26.277 -17.158 156 H SER 20 HN SER 20 -5.544 -19.298 -12.865 157 HA SER 20 HA SER 20 -5.011 -19.998 -10.063 158 HB2 SER 20 3HB SER 20 -3.747 -17.829 -9.848 159 HB3 SER 20 2HB SER 20 -2.946 -19.052 -10.833 160 HG SER 20 HG SER 20 -3.266 -16.678 -11.573 161 H HIS 21 HN HIS 21 -6.627 -17.896 -12.408 162 HA HIS 21 HA HIS 21 -7.817 -16.177 -10.502 163 HB2 HIS 21 3HB HIS 21 -9.174 -15.317 -12.237 164 HB3 HIS 21 2HB HIS 21 -7.638 -15.718 -12.984 165 HD1 HIS 21 1HD HIS 21 -11.264 -16.564 -13.031 166 HD2 HIS 21 2HD HIS 21 -7.735 -17.867 -14.826 167 HE1 HIS 21 1HE HIS 21 -11.970 -17.986 -14.982 168 HE2 HIS 21 2HE HIS 21 -9.827 -18.669 -16.118 169 H THR 22 HN THR 22 -8.446 -19.424 -11.277 170 HA THR 22 HA THR 22 -11.177 -19.658 -10.631 171 HB THR 22 HB THR 22 -10.106 -21.916 -9.488 172 HG1 THR 22 1HG THR 22 -8.121 -22.177 -10.173 173 HG21 THR 22 1HG2 THR 22 -10.557 -22.976 -11.653 174 HG22 THR 22 2HG2 THR 22 -10.614 -21.389 -12.419 175 HG23 THR 22 3HG2 THR 22 -11.830 -21.833 -11.222 176 H SER 23 HN SER 23 -8.488 -20.139 -8.203 177 HA SER 23 HA SER 23 -10.376 -19.810 -6.079 178 HB2 SER 23 3HB SER 23 -8.271 -19.915 -4.655 179 HB3 SER 23 2HB SER 23 -8.592 -21.326 -5.664 180 HG SER 23 HG SER 23 -6.446 -19.743 -5.647 181 H LEU 24 HN LEU 24 -8.048 -17.827 -7.745 182 HA LEU 24 HA LEU 24 -8.439 -15.602 -5.902 183 HB2 LEU 24 3HB LEU 24 -6.690 -15.993 -8.320 184 HB3 LEU 24 2HB LEU 24 -6.911 -14.415 -7.600 185 HG LEU 24 HG LEU 24 -4.849 -15.301 -6.803 186 HD11 LEU 24 1HD1 LEU 24 -6.210 -14.092 -5.168 187 HD12 LEU 24 2HD1 LEU 24 -5.174 -15.301 -4.414 188 HD13 LEU 24 3HD1 LEU 24 -6.894 -15.623 -4.617 189 HD21 LEU 24 1HD2 LEU 24 -6.375 -17.746 -5.925 190 HD22 LEU 24 2HD2 LEU 24 -4.672 -17.419 -5.606 191 HD23 LEU 24 3HD2 LEU 24 -5.228 -17.657 -7.261 192 H GLU 25 HN GLU 25 -10.764 -16.461 -7.230 193 HA GLU 25 HA GLU 25 -11.236 -14.587 -9.398 194 HB2 GLU 25 3HB GLU 25 -12.162 -16.974 -9.296 195 HB3 GLU 25 2HB GLU 25 -13.284 -16.366 -8.090 196 HG2 GLU 25 3HG GLU 25 -14.372 -16.379 -10.214 197 HG3 GLU 25 2HG GLU 25 -14.090 -14.706 -9.734 198 H ASP 26 HN ASP 26 -10.869 -12.697 -8.133 199 HA ASP 26 HA ASP 26 -13.273 -11.724 -6.856 200 HB2 ASP 26 3HB ASP 26 -11.872 -12.880 -5.058 201 HB3 ASP 26 2HB ASP 26 -10.687 -11.604 -5.299 202 H ASP 27 HN ASP 27 -13.036 -9.413 -6.298 203 HA ASP 27 HA ASP 27 -11.808 -8.038 -8.497 204 HB2 ASP 27 3HB ASP 27 -14.044 -7.418 -7.612 205 HB3 ASP 27 2HB ASP 27 -13.287 -6.929 -6.102 206 H ASP 28 HN ASP 28 -10.724 -9.101 -5.613 207 HA ASP 28 HA ASP 28 -9.129 -7.009 -4.632 208 HB2 ASP 28 3HB ASP 28 -9.727 -9.276 -3.540 209 HB3 ASP 28 2HB ASP 28 -8.347 -9.898 -4.435 210 H ASP 29 HN ASP 29 -8.434 -9.628 -6.828 211 HA ASP 29 HA ASP 29 -5.757 -8.739 -7.377 212 HB2 ASP 29 3HB ASP 29 -7.511 -10.908 -8.502 213 HB3 ASP 29 2HB ASP 29 -5.998 -10.480 -9.294 214 H GLY 30 HN GLY 30 -8.830 -7.854 -8.430 215 HA2 GLY 30 2HA GLY 30 -8.233 -7.057 -11.096 216 HA3 GLY 30 1HA GLY 30 -9.585 -6.496 -10.123 217 H SER 31 HN SER 31 -7.984 -5.498 -7.958 218 HA SER 31 HA SER 31 -7.247 -2.953 -9.078 219 HB2 SER 31 3HB SER 31 -6.592 -2.676 -6.497 220 HB3 SER 31 2HB SER 31 -8.260 -2.576 -7.064 221 HG SER 31 HG SER 31 -6.952 -4.842 -5.943 222 H ARG 32 HN ARG 32 -5.641 -5.670 -9.228 223 HA ARG 32 HA ARG 32 -3.030 -4.410 -8.722 224 HB2 ARG 32 3HB ARG 32 -3.742 -7.348 -8.841 225 HB3 ARG 32 2HB ARG 32 -2.109 -6.720 -8.667 226 HG2 ARG 32 3HG ARG 32 -2.748 -5.670 -6.549 227 HG3 ARG 32 2HG ARG 32 -4.373 -6.334 -6.723 228 HD2 ARG 32 3HD ARG 32 -3.025 -7.694 -5.216 229 HD3 ARG 32 2HD ARG 32 -3.462 -8.595 -6.664 230 HE ARG 32 HE ARG 32 -1.232 -8.558 -7.349 231 HH11 ARG 32 1HH1 ARG 32 -1.642 -6.635 -4.453 232 HH12 ARG 32 2HH1 ARG 32 0.031 -6.751 -3.992 233 HH21 ARG 32 1HH2 ARG 32 0.979 -8.688 -6.747 234 HH22 ARG 32 2HH2 ARG 32 1.516 -7.908 -5.295 235 H GLY 33 HN GLY 33 -2.132 -3.682 -10.561 236 HA2 GLY 33 2HA GLY 33 -1.240 -3.832 -12.697 237 HA3 GLY 33 1HA GLY 33 -2.056 -5.373 -12.904 238 H GLY 34 HN GLY 34 -4.598 -5.028 -12.806 239 HA2 GLY 34 2HA GLY 34 -5.221 -3.615 -15.187 240 HA3 GLY 34 1HA GLY 34 -6.378 -4.380 -14.110 241 H ASP 35 HN ASP 35 -6.262 -3.039 -11.833 242 HA ASP 35 HA ASP 35 -6.595 -0.202 -12.550 243 HB2 ASP 35 3HB ASP 35 -8.485 -1.901 -10.909 244 HB3 ASP 35 2HB ASP 35 -8.496 -0.145 -10.859 245 H CYS 36 HN CYS 36 -4.263 -1.102 -11.532 246 HA CYS 36 HA CYS 36 -4.224 -0.946 -8.671 247 HB2 CYS 36 3HB CYS 36 -1.713 -0.861 -9.033 248 HB3 CYS 36 2HB CYS 36 -2.540 -2.303 -9.611 249 HG CYS 36 HG CYS 36 -1.861 0.285 -11.716 250 H GLU 37 HN GLU 37 -5.002 0.948 -7.977 251 HA GLU 37 HA GLU 37 -3.362 3.294 -8.628 252 HB2 GLU 37 3HB GLU 37 -5.753 3.458 -9.391 253 HB3 GLU 37 2HB GLU 37 -6.235 3.355 -7.703 254 HG2 GLU 37 3HG GLU 37 -5.004 5.389 -7.210 255 HG3 GLU 37 2HG GLU 37 -4.477 5.489 -8.889 256 H GLY 38 HN GLY 38 -2.042 2.213 -6.954 257 HA2 GLY 38 2HA GLY 38 -2.914 2.243 -4.238 258 HA3 GLY 38 1HA GLY 38 -1.235 2.154 -4.775 259 H CYS 39 HN CYS 39 -2.993 3.846 -2.820 260 HA CYS 39 HA CYS 39 -2.878 6.501 -3.323 261 HB2 CYS 39 3HB CYS 39 -2.028 6.426 -0.730 262 HB3 CYS 39 2HB CYS 39 -3.698 6.204 -1.245 263 H SER 40 HN SER 40 -0.127 4.431 -2.517 264 HA SER 40 HA SER 40 2.008 4.518 -3.125 265 HB2 SER 40 3HB SER 40 0.919 5.386 -5.197 266 HB3 SER 40 2HB SER 40 1.383 7.010 -4.682 267 HG SER 40 HG SER 40 3.301 6.618 -5.425 268 H GLY 41 HN GLY 41 1.098 7.945 -2.676 269 HA2 GLY 41 2HA GLY 41 3.563 8.482 -1.232 270 HA3 GLY 41 1HA GLY 41 2.210 9.602 -1.341 271 H THR 42 HN THR 42 1.378 6.461 -0.294 272 HA THR 42 HA THR 42 1.163 7.426 2.475 273 HB THR 42 HB THR 42 -0.215 5.067 1.171 274 HG1 THR 42 1HG THR 42 -0.964 7.769 1.592 275 HG21 THR 42 1HG2 THR 42 -1.642 5.087 3.165 276 HG22 THR 42 2HG2 THR 42 -0.683 6.403 3.842 277 HG23 THR 42 3HG2 THR 42 0.046 4.816 3.597 278 H ALA 43 HN ALA 43 2.840 6.833 3.687 279 HA ALA 43 HA ALA 43 4.349 4.425 3.077 280 HB1 ALA 43 1HB ALA 43 5.506 6.505 3.732 281 HB2 ALA 43 2HB ALA 43 5.866 5.165 4.820 282 HB3 ALA 43 3HB ALA 43 4.731 6.422 5.315 283 H CYS 44 HN CYS 44 4.111 2.593 3.920 284 HA CYS 44 HA CYS 44 2.903 2.224 6.559 285 HB2 CYS 44 3HB CYS 44 1.658 0.274 5.588 286 HB3 CYS 44 2HB CYS 44 1.056 1.870 5.148 287 H SER 45 HN SER 45 4.151 0.994 7.752 288 HA SER 45 HA SER 45 6.346 -0.425 6.519 289 HB2 SER 45 3HB SER 45 5.653 -0.558 9.462 290 HB3 SER 45 2HB SER 45 7.228 -0.688 8.684 291 HG SER 45 HG SER 45 6.328 1.652 7.978 292 H SER 46 HN SER 46 3.203 -1.058 7.783 293 HA SER 46 HA SER 46 3.623 -3.910 7.230 294 HB2 SER 46 3HB SER 46 1.400 -2.671 8.867 295 HB3 SER 46 2HB SER 46 1.757 -4.389 8.699 296 HG SER 46 HG SER 46 2.925 -2.489 10.305 297 H ASP 47 HN ASP 47 2.416 -4.833 5.667 298 HA ASP 47 HA ASP 47 1.087 -3.278 3.785 299 HB2 ASP 47 3HB ASP 47 0.592 -5.314 2.624 300 HB3 ASP 47 2HB ASP 47 2.208 -5.442 3.305 301 H ALA 48 HN ALA 48 -0.181 -4.648 6.720 302 HA ALA 48 HA ALA 48 -2.793 -4.999 5.973 303 HB1 ALA 48 1HB ALA 48 -1.893 -5.749 8.115 304 HB2 ALA 48 2HB ALA 48 -3.341 -4.766 8.339 305 HB3 ALA 48 3HB ALA 48 -1.748 -4.070 8.639 306 H GLN 49 HN GLN 49 -0.972 -2.128 6.303 307 HA GLN 49 HA GLN 49 -3.083 -0.311 6.876 308 HB2 GLN 49 3HB GLN 49 -0.452 0.249 5.501 309 HB3 GLN 49 2HB GLN 49 -1.514 1.432 6.243 310 HG2 GLN 49 3HG GLN 49 -0.205 -0.776 7.798 311 HG3 GLN 49 2HG GLN 49 0.541 0.786 7.497 312 HE21 GLN 49 1HE2 GLN 49 0.570 1.092 9.854 313 HE22 GLN 49 2HE2 GLN 49 -0.874 1.601 10.643 314 H CYS 50 HN CYS 50 -1.443 -1.466 3.950 315 HA CYS 50 HA CYS 50 -3.059 0.160 2.191 316 HB2 CYS 50 3HB CYS 50 -1.361 -2.255 1.629 317 HB3 CYS 50 2HB CYS 50 -2.230 -1.371 0.393 318 H ARG 51 HN ARG 51 -2.994 -3.159 3.271 319 HA ARG 51 HA ARG 51 -5.083 -4.134 1.709 320 HB2 ARG 51 3HB ARG 51 -4.354 -4.898 4.543 321 HB3 ARG 51 2HB ARG 51 -5.404 -5.824 3.500 322 HG2 ARG 51 3HG ARG 51 -2.455 -5.373 3.225 323 HG3 ARG 51 2HG ARG 51 -3.320 -6.894 3.426 324 HD2 ARG 51 3HD ARG 51 -3.575 -5.104 1.020 325 HD3 ARG 51 2HD ARG 51 -2.485 -6.481 1.118 326 HE ARG 51 HE ARG 51 -5.039 -7.395 1.747 327 HH11 ARG 51 1HH1 ARG 51 -3.375 -5.998 -1.004 328 HH12 ARG 51 2HH1 ARG 51 -4.349 -6.833 -2.174 329 HH21 ARG 51 1HH2 ARG 51 -6.308 -8.495 0.215 330 HH22 ARG 51 2HH2 ARG 51 -6.032 -8.250 -1.489 331 H ALA 52 HN ALA 52 -5.194 -2.540 4.861 332 HA ALA 52 HA ALA 52 -8.070 -2.498 4.915 333 HB1 ALA 52 1HB ALA 52 -6.083 -0.966 6.589 334 HB2 ALA 52 2HB ALA 52 -6.773 -2.540 6.986 335 HB3 ALA 52 3HB ALA 52 -7.810 -1.116 6.906 336 H ARG 53 HN ARG 53 -5.597 -0.561 3.515 337 HA ARG 53 HA ARG 53 -7.080 1.870 3.435 338 HB2 ARG 53 3HB ARG 53 -4.621 1.839 3.325 339 HB3 ARG 53 2HB ARG 53 -4.729 1.092 1.740 340 HG2 ARG 53 3HG ARG 53 -4.274 3.494 1.618 341 HG3 ARG 53 2HG ARG 53 -5.793 3.057 0.836 342 HD2 ARG 53 3HD ARG 53 -7.017 3.786 2.830 343 HD3 ARG 53 2HD ARG 53 -5.495 4.236 3.597 344 HE ARG 53 HE ARG 53 -5.286 5.784 1.555 345 HH11 ARG 53 1HH1 ARG 53 -8.298 4.969 3.148 346 HH12 ARG 53 2HH1 ARG 53 -9.081 6.449 2.696 347 HH21 ARG 53 1HH2 ARG 53 -6.318 7.745 0.976 348 HH22 ARG 53 2HH2 ARG 53 -7.955 8.028 1.480 349 H GLY 54 HN GLY 54 -7.291 -0.990 1.676 350 HA2 GLY 54 2HA GLY 54 -8.497 -1.533 -0.234 351 HA3 GLY 54 1HA GLY 54 -9.120 0.116 -0.236 352 H CYS 55 HN CYS 55 -5.840 0.199 0.046 353 HA CYS 55 HA CYS 55 -5.523 1.058 -2.702 354 HB2 CYS 55 3HB CYS 55 -3.696 1.154 -0.336 355 HB3 CYS 55 2HB CYS 55 -3.017 1.299 -1.956 356 H ASP 56 HN ASP 56 -3.104 -1.103 -1.176 357 HA ASP 56 HA ASP 56 -4.120 -3.431 -2.361 358 HB2 ASP 56 3HB ASP 56 -3.480 -2.686 -4.529 359 HB3 ASP 56 2HB ASP 56 -1.944 -2.047 -3.946 360 H GLY 57 HN GLY 57 -0.828 -2.014 -2.028 361 HA2 GLY 57 2HA GLY 57 -0.315 -3.905 0.118 362 HA3 GLY 57 1HA GLY 57 0.495 -4.275 -1.389 363 H CYS 58 HN CYS 58 1.429 -3.506 1.302 364 HA CYS 58 HA CYS 58 2.979 -1.121 0.752 365 HB2 CYS 58 3HB CYS 58 2.935 -3.050 3.088 366 HB3 CYS 58 2HB CYS 58 3.828 -1.522 3.048 367 H SER 59 HN SER 59 5.149 -1.178 0.102 368 HA SER 59 HA SER 59 5.976 -3.887 -0.705 369 HB2 SER 59 3HB SER 59 7.305 -2.663 -2.474 370 HB3 SER 59 2HB SER 59 5.553 -2.528 -2.630 371 HG SER 59 HG SER 59 5.645 -0.456 -2.124 372 H THR 60 HN THR 60 8.500 -3.925 -1.126 373 HA THR 60 HA THR 60 10.036 -3.718 1.104 374 HB THR 60 HB THR 60 11.445 -2.616 -1.261 375 HG1 THR 60 1HG THR 60 10.874 -5.283 -1.620 376 HG21 THR 60 1HG2 THR 60 12.955 -4.487 -0.752 377 HG22 THR 60 2HG2 THR 60 11.827 -5.064 0.474 378 HG23 THR 60 3HG2 THR 60 12.631 -3.508 0.678 379 H SER 61 HN SER 61 8.943 -0.873 -0.730 380 HA SER 61 HA SER 61 10.847 0.781 0.640 381 HB2 SER 61 3HB SER 61 10.536 1.153 -1.763 382 HB3 SER 61 2HB SER 61 8.837 1.521 -1.479 383 HG SER 61 HG SER 61 9.766 3.210 0.008 384 H GLY 62 HN GLY 62 8.097 -0.469 1.612 385 HA2 GLY 62 2HA GLY 62 6.597 0.098 3.256 386 HA3 GLY 62 1HA GLY 62 7.712 1.386 3.692 387 H VAL 63 HN VAL 63 6.337 1.165 0.530 388 HA VAL 63 HA VAL 63 4.636 3.507 1.095 389 HB VAL 63 HB VAL 63 4.864 4.125 -1.268 390 HG11 VAL 63 1HG1 VAL 63 7.218 4.830 -1.218 391 HG12 VAL 63 2HG1 VAL 63 7.498 3.740 0.138 392 HG13 VAL 63 3HG1 VAL 63 6.397 5.105 0.318 393 HG21 VAL 63 1HG2 VAL 63 6.873 1.889 -1.492 394 HG22 VAL 63 2HG2 VAL 63 6.416 3.031 -2.754 395 HG23 VAL 63 3HG2 VAL 63 5.246 1.851 -2.166 396 H CYS 64 HN CYS 64 2.653 3.587 -0.353 397 HA CYS 64 HA CYS 64 1.519 0.875 -0.189 398 HB2 CYS 64 3HB CYS 64 0.576 2.823 1.218 399 HB3 CYS 64 2HB CYS 64 -0.060 3.447 -0.303 400 H VAL 65 HN VAL 65 1.455 -0.081 -2.127 401 HA VAL 65 HA VAL 65 0.649 1.468 -4.483 402 HB VAL 65 HB VAL 65 2.636 0.845 -5.753 403 HG11 VAL 65 1HG1 VAL 65 3.336 2.062 -3.110 404 HG12 VAL 65 2HG1 VAL 65 2.774 2.912 -4.548 405 HG13 VAL 65 3HG1 VAL 65 4.349 2.115 -4.551 406 HG21 VAL 65 1HG2 VAL 65 4.538 -0.288 -4.725 407 HG22 VAL 65 2HG2 VAL 65 3.098 -1.309 -4.673 408 HG23 VAL 65 3HG2 VAL 65 3.634 -0.461 -3.221 409 H LEU 66 HN LEU 66 0.861 -0.244 -6.481 410 HA LEU 66 HA LEU 66 -0.242 -2.754 -5.756 411 HB2 LEU 66 3HB LEU 66 0.270 -3.486 -8.019 412 HB3 LEU 66 2HB LEU 66 -0.470 -1.905 -8.036 413 HG LEU 66 HG LEU 66 2.513 -2.276 -8.293 414 HD11 LEU 66 1HD1 LEU 66 1.429 -3.546 -10.072 415 HD12 LEU 66 2HD1 LEU 66 2.214 -2.101 -10.712 416 HD13 LEU 66 3HD1 LEU 66 0.463 -2.135 -10.501 417 HD21 LEU 66 1HD2 LEU 66 2.315 -0.077 -9.453 418 HD22 LEU 66 2HD2 LEU 66 1.890 -0.030 -7.744 419 HD23 LEU 66 3HD2 LEU 66 0.620 -0.028 -8.968 420 H SER 67 HN SER 67 0.970 -3.494 -4.076 421 HA SER 67 HA SER 67 3.636 -3.403 -3.532 422 HB2 SER 67 3HB SER 67 3.181 -5.745 -2.425 423 HB3 SER 67 2HB SER 67 2.390 -4.292 -1.820 424 HG SER 67 HG SER 67 0.647 -4.953 -3.425 425 H SER 68 HN SER 68 5.201 -3.837 -5.226 426 HA SER 68 HA SER 68 5.281 -6.611 -6.127 427 HB2 SER 68 3HB SER 68 7.133 -5.735 -7.616 428 HB3 SER 68 2HB SER 68 5.544 -5.034 -7.929 429 HG SER 68 HG SER 68 7.394 -3.801 -6.177 430 H LEU 69 HN LEU 69 6.259 -7.870 -4.661 431 HA LEU 69 HA LEU 69 8.339 -6.795 -2.951 432 HB2 LEU 69 3HB LEU 69 6.833 -9.378 -3.053 433 HB3 LEU 69 2HB LEU 69 8.339 -9.294 -2.163 434 HG LEU 69 HG LEU 69 7.365 -7.422 -0.815 435 HD11 LEU 69 1HD1 LEU 69 4.792 -8.228 -2.160 436 HD12 LEU 69 2HD1 LEU 69 5.648 -6.707 -2.413 437 HD13 LEU 69 3HD1 LEU 69 4.964 -7.082 -0.831 438 HD21 LEU 69 1HD2 LEU 69 5.987 -8.873 0.569 439 HD22 LEU 69 2HD2 LEU 69 7.425 -9.720 0.004 440 HD23 LEU 69 3HD2 LEU 69 5.864 -10.034 -0.753 441 H HIS 70 HN HIS 70 8.424 -7.598 -5.992 442 HA HIS 70 HA HIS 70 10.581 -9.362 -6.288 443 HB2 HIS 70 3HB HIS 70 9.206 -8.595 -8.181 444 HB3 HIS 70 2HB HIS 70 9.831 -6.963 -7.982 445 HD1 HIS 70 1HD HIS 70 11.575 -6.435 -9.644 446 HD2 HIS 70 2HD HIS 70 11.581 -10.465 -8.631 447 HE1 HIS 70 1HE HIS 70 13.416 -7.474 -11.004 448 HE2 HIS 70 2HE HIS 70 13.266 -9.940 -10.516 449 H HIS 71 HN HIS 71 12.687 -9.158 -5.876 450 HA HIS 71 HA HIS 71 13.579 -6.914 -4.359 451 HB2 HIS 71 3HB HIS 71 14.986 -9.382 -5.368 452 HB3 HIS 71 2HB HIS 71 15.807 -8.139 -4.436 453 HD1 HIS 71 1HD HIS 71 16.173 -9.134 -2.205 454 HD2 HIS 71 2HD HIS 71 12.333 -9.887 -3.616 455 HE1 HIS 71 1HE HIS 71 14.991 -10.342 -0.342 456 HE2 HIS 71 2HE HIS 71 12.696 -10.859 -1.246 457 H HIS 72 HN HIS 72 13.159 -5.311 -6.092 458 HA HIS 72 HA HIS 72 15.432 -5.103 -7.942 459 HB2 HIS 72 3HB HIS 72 13.097 -4.776 -8.825 460 HB3 HIS 72 2HB HIS 72 12.973 -3.343 -7.814 461 HD1 HIS 72 1HD HIS 72 14.248 -4.531 -11.058 462 HD2 HIS 72 2HD HIS 72 14.723 -1.196 -8.620 463 HE1 HIS 72 1HE HIS 72 15.293 -2.773 -12.511 464 HE2 HIS 72 2HE HIS 72 15.475 -0.735 -11.050 465 H HIS 73 HN HIS 73 13.776 -3.485 -5.288 466 HA HIS 73 HA HIS 73 15.791 -1.445 -5.017 467 HB2 HIS 73 3HB HIS 73 13.475 -2.328 -3.296 468 HB3 HIS 73 2HB HIS 73 14.641 -1.142 -2.730 469 HD1 HIS 73 1HD HIS 73 11.440 -1.272 -4.190 470 HD2 HIS 73 2HD HIS 73 14.811 1.074 -4.831 471 HE1 HIS 73 1HE HIS 73 10.608 0.813 -5.325 472 HE2 HIS 73 2HE HIS 73 12.637 2.295 -5.511 473 H HIS 74 HN HIS 74 17.769 -2.393 -4.738 474 HA HIS 74 HA HIS 74 18.076 -4.417 -2.660 475 HB2 HIS 74 3HB HIS 74 20.069 -3.259 -4.622 476 HB3 HIS 74 2HB HIS 74 20.462 -4.481 -3.420 477 HD1 HIS 74 1HD HIS 74 19.793 -6.889 -3.923 478 HD2 HIS 74 2HD HIS 74 18.472 -4.171 -6.776 479 HE1 HIS 74 1HE HIS 74 18.974 -8.275 -5.850 480 HE2 HIS 74 2HE HIS 74 18.400 -6.607 -7.642 481 H HIS 75 HN HIS 75 20.051 -1.602 -3.524 482 HA HIS 75 HA HIS 75 19.774 -0.505 -0.856 483 HB2 HIS 75 3HB HIS 75 22.427 -1.468 -1.943 484 HB3 HIS 75 2HB HIS 75 22.295 -0.311 -0.623 485 HD1 HIS 75 1HD HIS 75 22.601 -3.834 -1.236 486 HD2 HIS 75 2HD HIS 75 20.735 -1.489 1.638 487 HE1 HIS 75 1HE HIS 75 22.179 -5.363 0.710 488 HE2 HIS 75 2HE HIS 75 20.849 -3.973 2.337 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -17.455 -1.846 -24.661 2 H2 MET 1 2HT MET 1 -16.573 -2.960 -23.751 3 H3 MET 1 3HT MET 1 -17.584 -1.846 -22.978 4 HA MET 1 HA MET 1 -19.514 -2.839 -24.047 5 HB2 MET 1 3HB MET 1 -18.332 -3.759 -25.997 6 HB3 MET 1 2HB MET 1 -17.507 -4.911 -24.958 7 HG2 MET 1 3HG MET 1 -19.640 -5.943 -24.394 8 HG3 MET 1 2HG MET 1 -20.479 -4.779 -25.416 9 HE1 MET 1 1HE MET 1 -20.791 -7.964 -25.654 10 HE2 MET 1 2HE MET 1 -20.790 -8.151 -27.408 11 HE3 MET 1 3HE MET 1 -21.669 -6.816 -26.665 12 H CYS 2 HN CYS 2 -16.752 -4.438 -22.482 13 HA CYS 2 HA CYS 2 -18.660 -5.634 -20.577 14 HB2 CYS 2 3HB CYS 2 -17.365 -7.248 -22.011 15 HB3 CYS 2 2HB CYS 2 -15.893 -6.651 -21.258 16 HG CYS 2 HG CYS 2 -17.043 -7.371 -18.631 17 H GLU 3 HN GLU 3 -17.755 -3.004 -20.293 18 HA GLU 3 HA GLU 3 -16.252 -3.257 -17.801 19 HB2 GLU 3 3HB GLU 3 -14.628 -2.713 -19.601 20 HB3 GLU 3 2HB GLU 3 -15.543 -1.253 -19.948 21 HG2 GLU 3 3HG GLU 3 -15.060 -0.394 -17.737 22 HG3 GLU 3 2HG GLU 3 -14.194 -1.877 -17.335 23 H PHE 4 HN PHE 4 -17.938 -2.731 -16.561 24 HA PHE 4 HA PHE 4 -18.982 0.041 -16.823 25 HB2 PHE 4 3HB PHE 4 -20.575 -2.444 -16.113 26 HB3 PHE 4 2HB PHE 4 -21.166 -0.801 -15.923 27 HD1 PHE 4 1HD PHE 4 -21.747 0.543 -17.859 28 HD2 PHE 4 2HD PHE 4 -20.415 -3.475 -18.279 29 HE1 PHE 4 1HE PHE 4 -22.605 0.505 -20.163 30 HE2 PHE 4 2HE PHE 4 -21.267 -3.521 -20.584 31 HZ PHE 4 HZ PHE 4 -22.366 -1.529 -21.529 32 H ILE 5 HN ILE 5 -16.789 -0.630 -15.351 33 HA ILE 5 HA ILE 5 -15.867 -0.436 -13.184 34 HB ILE 5 HB ILE 5 -18.703 0.053 -12.230 35 HG12 ILE 5 3HG1 ILE 5 -16.582 2.054 -13.047 36 HG13 ILE 5 2HG1 ILE 5 -18.029 1.672 -13.974 37 HG21 ILE 5 1HG2 ILE 5 -17.147 -0.540 -10.442 38 HG22 ILE 5 2HG2 ILE 5 -17.626 1.152 -10.327 39 HG23 ILE 5 3HG2 ILE 5 -16.042 0.728 -10.975 40 HD11 ILE 5 1HD1 ILE 5 -17.963 2.917 -11.235 41 HD12 ILE 5 2HD1 ILE 5 -19.416 2.528 -12.157 42 HD13 ILE 5 3HD1 ILE 5 -18.292 3.749 -12.755 43 H GLU 6 HN GLU 6 -18.312 -2.622 -14.020 44 HA GLU 6 HA GLU 6 -18.779 -4.793 -13.473 45 HB2 GLU 6 3HB GLU 6 -16.123 -4.500 -12.083 46 HB3 GLU 6 2HB GLU 6 -17.062 -5.983 -11.988 47 HG2 GLU 6 3HG GLU 6 -15.361 -6.126 -13.717 48 HG3 GLU 6 2HG GLU 6 -16.978 -6.214 -14.407 49 H ASP 7 HN ASP 7 -19.336 -2.344 -11.782 50 HA ASP 7 HA ASP 7 -20.107 -3.653 -9.271 51 HB2 ASP 7 3HB ASP 7 -18.811 -1.543 -9.115 52 HB3 ASP 7 2HB ASP 7 -20.071 -0.717 -10.021 53 H SER 8 HN SER 8 -21.246 -2.522 -12.247 54 HA SER 8 HA SER 8 -23.931 -1.900 -11.408 55 HB2 SER 8 3HB SER 8 -22.859 -0.682 -13.266 56 HB3 SER 8 2HB SER 8 -22.744 -2.182 -14.183 57 HG SER 8 HG SER 8 -25.195 -2.165 -13.714 58 H GLU 9 HN GLU 9 -22.311 -4.737 -11.830 59 HA GLU 9 HA GLU 9 -24.344 -6.198 -13.239 60 HB2 GLU 9 3HB GLU 9 -22.969 -8.188 -12.669 61 HB3 GLU 9 2HB GLU 9 -22.079 -6.927 -13.509 62 HG2 GLU 9 3HG GLU 9 -21.087 -6.200 -11.422 63 HG3 GLU 9 2HG GLU 9 -22.026 -7.404 -10.538 64 H ASP 10 HN ASP 10 -23.629 -5.446 -9.935 65 HA ASP 10 HA ASP 10 -24.838 -5.715 -8.026 66 HB2 ASP 10 3HB ASP 10 -26.869 -5.303 -9.213 67 HB3 ASP 10 2HB ASP 10 -26.851 -6.904 -9.934 68 H ILE 11 HN ILE 11 -23.805 -8.261 -9.950 69 HA ILE 11 HA ILE 11 -24.583 -10.494 -8.401 70 HB ILE 11 HB ILE 11 -22.241 -10.278 -10.303 71 HG12 ILE 11 3HG1 ILE 11 -25.116 -11.067 -10.830 72 HG13 ILE 11 2HG1 ILE 11 -24.357 -9.567 -11.346 73 HG21 ILE 11 1HG2 ILE 11 -22.538 -12.697 -10.582 74 HG22 ILE 11 2HG2 ILE 11 -23.815 -12.678 -9.365 75 HG23 ILE 11 3HG2 ILE 11 -22.158 -12.280 -8.910 76 HD11 ILE 11 1HD1 ILE 11 -23.592 -12.333 -12.249 77 HD12 ILE 11 2HD1 ILE 11 -22.834 -10.829 -12.773 78 HD13 ILE 11 3HD1 ILE 11 -24.521 -11.153 -13.174 79 H GLN 12 HN GLN 12 -22.291 -8.067 -7.787 80 HA GLN 12 HA GLN 12 -20.452 -9.705 -6.295 81 HB2 GLN 12 3HB GLN 12 -20.821 -6.706 -6.299 82 HB3 GLN 12 2HB GLN 12 -19.544 -7.559 -5.442 83 HG2 GLN 12 3HG GLN 12 -18.829 -8.483 -7.676 84 HG3 GLN 12 2HG GLN 12 -19.945 -7.334 -8.413 85 HE21 GLN 12 1HE2 GLN 12 -19.499 -5.129 -8.296 86 HE22 GLN 12 2HE2 GLN 12 -17.936 -4.530 -7.859 87 H GLY 13 HN GLY 13 -23.343 -7.855 -5.611 88 HA2 GLY 13 2HA GLY 13 -23.097 -8.036 -2.755 89 HA3 GLY 13 1HA GLY 13 -24.536 -7.564 -3.651 90 H LEU 14 HN LEU 14 -24.448 -9.990 -5.268 91 HA LEU 14 HA LEU 14 -25.216 -12.006 -3.268 92 HB2 LEU 14 3HB LEU 14 -26.392 -11.486 -6.006 93 HB3 LEU 14 2HB LEU 14 -26.743 -12.911 -5.055 94 HG LEU 14 HG LEU 14 -27.630 -11.303 -3.267 95 HD11 LEU 14 1HD1 LEU 14 -27.603 -9.418 -5.622 96 HD12 LEU 14 2HD1 LEU 14 -26.661 -9.244 -4.142 97 HD13 LEU 14 3HD1 LEU 14 -28.421 -9.139 -4.085 98 HD21 LEU 14 1HD2 LEU 14 -29.803 -11.140 -4.383 99 HD22 LEU 14 2HD2 LEU 14 -29.060 -12.719 -4.631 100 HD23 LEU 14 3HD2 LEU 14 -29.036 -11.522 -5.925 101 H LYS 15 HN LYS 15 -22.744 -12.286 -3.581 102 HA LYS 15 HA LYS 15 -21.887 -13.251 -6.139 103 HB2 LYS 15 3HB LYS 15 -19.686 -13.508 -5.126 104 HB3 LYS 15 2HB LYS 15 -20.370 -11.929 -4.774 105 HG2 LYS 15 3HG LYS 15 -21.020 -12.763 -2.537 106 HG3 LYS 15 2HG LYS 15 -20.198 -14.279 -2.902 107 HD2 LYS 15 3HD LYS 15 -18.940 -11.537 -2.784 108 HD3 LYS 15 2HD LYS 15 -18.760 -12.820 -1.587 109 HE2 LYS 15 3HE LYS 15 -17.733 -14.241 -3.356 110 HE3 LYS 15 2HE LYS 15 -17.803 -12.858 -4.447 111 HZ1 LYS 15 1HZ LYS 15 -15.622 -13.130 -3.384 112 HZ2 LYS 15 2HZ LYS 15 -16.336 -12.903 -1.868 113 HZ3 LYS 15 3HZ LYS 15 -16.338 -11.643 -2.995 114 H SER 16 HN SER 16 -23.706 -14.738 -3.945 115 HA SER 16 HA SER 16 -22.574 -17.370 -4.102 116 HB2 SER 16 3HB SER 16 -25.064 -17.932 -3.438 117 HB3 SER 16 2HB SER 16 -23.990 -17.167 -2.267 118 HG SER 16 HG SER 16 -25.565 -15.772 -2.167 119 H LEU 17 HN LEU 17 -24.332 -15.294 -6.122 120 HA LEU 17 HA LEU 17 -25.004 -17.467 -7.995 121 HB2 LEU 17 3HB LEU 17 -25.950 -14.619 -7.777 122 HB3 LEU 17 2HB LEU 17 -26.265 -15.604 -9.188 123 HG LEU 17 HG LEU 17 -28.235 -15.609 -7.860 124 HD11 LEU 17 1HD1 LEU 17 -26.794 -18.211 -7.397 125 HD12 LEU 17 2HD1 LEU 17 -27.646 -17.749 -8.871 126 HD13 LEU 17 3HD1 LEU 17 -28.540 -17.961 -7.365 127 HD21 LEU 17 1HD2 LEU 17 -26.500 -16.431 -5.540 128 HD22 LEU 17 2HD2 LEU 17 -28.262 -16.376 -5.524 129 HD23 LEU 17 3HD2 LEU 17 -27.337 -14.891 -5.743 130 H ARG 18 HN ARG 18 -22.395 -16.272 -7.399 131 HA ARG 18 HA ARG 18 -21.378 -14.512 -9.208 132 HB2 ARG 18 3HB ARG 18 -19.202 -15.562 -8.885 133 HB3 ARG 18 2HB ARG 18 -20.075 -15.452 -7.367 134 HG2 ARG 18 3HG ARG 18 -20.684 -17.851 -7.597 135 HG3 ARG 18 2HG ARG 18 -19.693 -17.921 -9.052 136 HD2 ARG 18 3HD ARG 18 -18.411 -18.759 -7.211 137 HD3 ARG 18 2HD ARG 18 -17.749 -17.198 -7.691 138 HE ARG 18 HE ARG 18 -19.684 -17.015 -5.576 139 HH11 ARG 18 1HH1 ARG 18 -16.320 -17.623 -6.311 140 HH12 ARG 18 2HH1 ARG 18 -15.758 -17.104 -4.755 141 HH21 ARG 18 1HH2 ARG 18 -18.941 -16.367 -3.519 142 HH22 ARG 18 2HH2 ARG 18 -17.234 -16.374 -3.180 143 H LYS 19 HN LYS 19 -21.966 -14.492 -11.282 144 HA LYS 19 HA LYS 19 -21.239 -16.833 -12.925 145 HB2 LYS 19 3HB LYS 19 -23.508 -14.874 -13.357 146 HB3 LYS 19 2HB LYS 19 -23.042 -16.138 -14.489 147 HG2 LYS 19 3HG LYS 19 -23.676 -17.849 -12.957 148 HG3 LYS 19 2HG LYS 19 -23.919 -16.676 -11.663 149 HD2 LYS 19 3HD LYS 19 -25.746 -15.656 -12.995 150 HD3 LYS 19 2HD LYS 19 -25.540 -16.937 -14.194 151 HE2 LYS 19 3HE LYS 19 -26.049 -18.613 -12.494 152 HE3 LYS 19 2HE LYS 19 -26.246 -17.341 -11.291 153 HZ1 LYS 19 1HZ LYS 19 -28.086 -16.459 -12.604 154 HZ2 LYS 19 2HZ LYS 19 -28.373 -18.052 -12.128 155 HZ3 LYS 19 3HZ LYS 19 -27.913 -17.720 -13.717 156 H SER 20 HN SER 20 -20.285 -13.936 -12.046 157 HA SER 20 HA SER 20 -19.233 -13.164 -14.689 158 HB2 SER 20 3HB SER 20 -19.296 -10.799 -13.680 159 HB3 SER 20 2HB SER 20 -20.855 -11.517 -14.100 160 HG SER 20 HG SER 20 -20.440 -10.497 -11.861 161 H HIS 21 HN HIS 21 -18.770 -12.402 -11.237 162 HA HIS 21 HA HIS 21 -15.911 -12.234 -11.510 163 HB2 HIS 21 3HB HIS 21 -17.842 -11.890 -9.236 164 HB3 HIS 21 2HB HIS 21 -16.116 -12.018 -8.920 165 HD1 HIS 21 1HD HIS 21 -18.708 -9.685 -10.293 166 HD2 HIS 21 2HD HIS 21 -14.575 -9.825 -9.788 167 HE1 HIS 21 1HE HIS 21 -17.896 -7.339 -10.657 168 HE2 HIS 21 2HE HIS 21 -15.386 -7.482 -10.527 169 H THR 22 HN THR 22 -17.741 -14.788 -11.660 170 HA THR 22 HA THR 22 -17.239 -16.690 -9.756 171 HB THR 22 HB THR 22 -16.789 -17.480 -12.632 172 HG1 THR 22 1HG THR 22 -19.416 -17.339 -11.848 173 HG21 THR 22 1HG2 THR 22 -18.184 -19.378 -11.953 174 HG22 THR 22 2HG2 THR 22 -18.338 -18.689 -10.339 175 HG23 THR 22 3HG2 THR 22 -16.762 -19.222 -10.923 176 H SER 23 HN SER 23 -14.728 -15.799 -12.231 177 HA SER 23 HA SER 23 -12.931 -17.670 -10.876 178 HB2 SER 23 3HB SER 23 -12.524 -16.209 -13.494 179 HB3 SER 23 2HB SER 23 -11.548 -17.534 -12.861 180 HG SER 23 HG SER 23 -12.995 -18.921 -13.514 181 H LEU 24 HN LEU 24 -13.792 -14.841 -10.081 182 HA LEU 24 HA LEU 24 -11.088 -13.714 -9.784 183 HB2 LEU 24 3HB LEU 24 -13.724 -12.299 -10.157 184 HB3 LEU 24 2HB LEU 24 -12.302 -11.487 -9.537 185 HG LEU 24 HG LEU 24 -12.439 -10.932 -11.825 186 HD11 LEU 24 1HD1 LEU 24 -10.427 -13.161 -11.616 187 HD12 LEU 24 2HD1 LEU 24 -10.194 -11.509 -11.045 188 HD13 LEU 24 3HD1 LEU 24 -10.405 -11.825 -12.767 189 HD21 LEU 24 1HD2 LEU 24 -12.764 -13.866 -12.420 190 HD22 LEU 24 2HD2 LEU 24 -12.596 -12.589 -13.624 191 HD23 LEU 24 3HD2 LEU 24 -14.004 -12.621 -12.564 192 H GLU 25 HN GLU 25 -12.166 -15.606 -8.006 193 HA GLU 25 HA GLU 25 -13.006 -14.042 -5.688 194 HB2 GLU 25 3HB GLU 25 -14.188 -16.165 -6.169 195 HB3 GLU 25 2HB GLU 25 -12.678 -17.039 -5.949 196 HG2 GLU 25 3HG GLU 25 -13.954 -17.258 -3.953 197 HG3 GLU 25 2HG GLU 25 -12.596 -16.188 -3.613 198 H ASP 26 HN ASP 26 -10.880 -12.976 -5.781 199 HA ASP 26 HA ASP 26 -9.121 -14.357 -3.895 200 HB2 ASP 26 3HB ASP 26 -8.067 -14.512 -6.146 201 HB3 ASP 26 2HB ASP 26 -8.099 -12.758 -6.258 202 H ASP 27 HN ASP 27 -7.719 -12.779 -2.752 203 HA ASP 27 HA ASP 27 -9.492 -10.792 -1.723 204 HB2 ASP 27 3HB ASP 27 -6.676 -11.543 -0.951 205 HB3 ASP 27 2HB ASP 27 -7.662 -10.377 -0.076 206 H ASP 28 HN ASP 28 -7.567 -10.670 -4.311 207 HA ASP 28 HA ASP 28 -6.401 -8.074 -3.959 208 HB2 ASP 28 3HB ASP 28 -5.646 -8.247 -6.209 209 HB3 ASP 28 2HB ASP 28 -5.525 -9.866 -5.538 210 H ASP 29 HN ASP 29 -9.296 -9.398 -5.297 211 HA ASP 29 HA ASP 29 -11.055 -8.489 -6.453 212 HB2 ASP 29 3HB ASP 29 -10.739 -6.796 -3.992 213 HB3 ASP 29 2HB ASP 29 -12.070 -6.529 -5.113 214 H GLY 30 HN GLY 30 -8.769 -7.723 -7.758 215 HA2 GLY 30 2HA GLY 30 -8.787 -4.917 -8.326 216 HA3 GLY 30 1HA GLY 30 -8.000 -6.168 -9.279 217 H SER 31 HN SER 31 -10.638 -7.618 -9.340 218 HA SER 31 HA SER 31 -11.669 -6.396 -11.729 219 HB2 SER 31 3HB SER 31 -13.288 -8.354 -11.601 220 HB3 SER 31 2HB SER 31 -11.579 -8.778 -11.711 221 HG SER 31 HG SER 31 -11.621 -9.547 -9.734 222 H ARG 32 HN ARG 32 -12.129 -5.852 -8.504 223 HA ARG 32 HA ARG 32 -14.917 -5.018 -8.778 224 HB2 ARG 32 3HB ARG 32 -14.277 -6.187 -6.717 225 HB3 ARG 32 2HB ARG 32 -13.045 -4.975 -6.398 226 HG2 ARG 32 3HG ARG 32 -14.702 -3.292 -6.028 227 HG3 ARG 32 2HG ARG 32 -15.987 -4.378 -6.562 228 HD2 ARG 32 3HD ARG 32 -14.227 -4.844 -4.160 229 HD3 ARG 32 2HD ARG 32 -15.850 -4.157 -4.099 230 HE ARG 32 HE ARG 32 -16.140 -6.523 -5.444 231 HH11 ARG 32 1HH1 ARG 32 -14.930 -5.577 -2.301 232 HH12 ARG 32 2HH1 ARG 32 -15.354 -7.078 -1.542 233 HH21 ARG 32 1HH2 ARG 32 -16.702 -8.503 -4.447 234 HH22 ARG 32 2HH2 ARG 32 -16.351 -8.750 -2.767 235 H GLY 33 HN GLY 33 -14.985 -3.178 -9.972 236 HA2 GLY 33 2HA GLY 33 -14.755 -0.777 -9.977 237 HA3 GLY 33 1HA GLY 33 -13.192 -0.975 -9.189 238 H GLY 34 HN GLY 34 -11.745 -2.597 -10.541 239 HA2 GLY 34 2HA GLY 34 -10.649 -3.107 -12.497 240 HA3 GLY 34 1HA GLY 34 -12.094 -2.618 -13.369 241 H ASP 35 HN ASP 35 -10.101 -0.705 -11.171 242 HA ASP 35 HA ASP 35 -9.222 0.936 -13.430 243 HB2 ASP 35 3HB ASP 35 -11.345 1.905 -12.527 244 HB3 ASP 35 2HB ASP 35 -10.560 2.078 -10.963 245 H CYS 36 HN CYS 36 -7.496 2.519 -12.712 246 HA CYS 36 HA CYS 36 -5.919 1.304 -10.544 247 HB2 CYS 36 3HB CYS 36 -4.930 2.906 -12.919 248 HB3 CYS 36 2HB CYS 36 -3.925 2.177 -11.671 249 HG CYS 36 HG CYS 36 -4.932 -0.463 -12.377 250 H GLU 37 HN GLU 37 -6.808 2.492 -8.896 251 HA GLU 37 HA GLU 37 -5.683 5.122 -8.588 252 HB2 GLU 37 3HB GLU 37 -7.892 5.524 -9.731 253 HB3 GLU 37 2HB GLU 37 -8.679 4.801 -8.335 254 HG2 GLU 37 3HG GLU 37 -7.687 6.538 -6.905 255 HG3 GLU 37 2HG GLU 37 -6.974 7.281 -8.335 256 H GLY 38 HN GLY 38 -4.662 3.435 -7.181 257 HA2 GLY 38 2HA GLY 38 -6.088 2.571 -4.846 258 HA3 GLY 38 1HA GLY 38 -4.345 2.517 -5.069 259 H CYS 39 HN CYS 39 -3.201 3.794 -3.753 260 HA CYS 39 HA CYS 39 -3.915 6.492 -3.244 261 HB2 CYS 39 3HB CYS 39 -3.921 5.934 -0.621 262 HB3 CYS 39 2HB CYS 39 -5.399 6.029 -1.567 263 H SER 40 HN SER 40 -1.807 6.498 -4.177 264 HA SER 40 HA SER 40 0.264 5.138 -2.639 265 HB2 SER 40 3HB SER 40 0.644 6.365 -5.354 266 HB3 SER 40 2HB SER 40 1.490 5.018 -4.599 267 HG SER 40 HG SER 40 0.141 3.810 -5.634 268 H GLY 41 HN GLY 41 2.354 6.220 -2.398 269 HA2 GLY 41 2HA GLY 41 3.542 8.371 -2.062 270 HA3 GLY 41 1HA GLY 41 1.964 9.147 -1.997 271 H THR 42 HN THR 42 0.760 7.134 -0.273 272 HA THR 42 HA THR 42 1.590 8.099 2.270 273 HB THR 42 HB THR 42 -0.104 5.648 1.794 274 HG1 THR 42 1HG THR 42 -0.651 8.360 1.282 275 HG21 THR 42 1HG2 THR 42 0.496 6.208 4.124 276 HG22 THR 42 2HG2 THR 42 -1.235 6.366 3.827 277 HG23 THR 42 3HG2 THR 42 -0.220 7.805 3.905 278 H ALA 43 HN ALA 43 2.310 6.649 4.054 279 HA ALA 43 HA ALA 43 4.108 4.529 3.062 280 HB1 ALA 43 1HB ALA 43 5.343 6.531 3.728 281 HB2 ALA 43 2HB ALA 43 5.690 5.172 4.796 282 HB3 ALA 43 3HB ALA 43 4.604 6.456 5.326 283 H CYS 44 HN CYS 44 3.201 2.683 3.590 284 HA CYS 44 HA CYS 44 2.473 2.262 6.412 285 HB2 CYS 44 3HB CYS 44 1.660 0.033 5.498 286 HB3 CYS 44 2HB CYS 44 0.734 1.465 5.063 287 H SER 45 HN SER 45 3.843 1.282 7.700 288 HA SER 45 HA SER 45 6.249 0.094 6.625 289 HB2 SER 45 3HB SER 45 5.448 -0.102 9.529 290 HB3 SER 45 2HB SER 45 7.056 0.046 8.825 291 HG SER 45 HG SER 45 5.913 2.210 8.068 292 H SER 46 HN SER 46 3.147 -0.842 7.809 293 HA SER 46 HA SER 46 3.888 -3.632 7.332 294 HB2 SER 46 3HB SER 46 1.566 -2.561 8.946 295 HB3 SER 46 2HB SER 46 1.953 -4.265 8.711 296 HG SER 46 HG SER 46 2.925 -3.827 10.584 297 H ASP 47 HN ASP 47 2.748 -4.793 5.905 298 HA ASP 47 HA ASP 47 1.569 -3.575 3.722 299 HB2 ASP 47 3HB ASP 47 2.675 -5.760 3.643 300 HB3 ASP 47 2HB ASP 47 1.371 -6.460 4.592 301 H ALA 48 HN ALA 48 -0.042 -5.385 6.360 302 HA ALA 48 HA ALA 48 -2.566 -5.432 5.370 303 HB1 ALA 48 1HB ALA 48 -3.328 -5.793 7.636 304 HB2 ALA 48 2HB ALA 48 -1.811 -5.146 8.265 305 HB3 ALA 48 3HB ALA 48 -1.816 -6.656 7.351 306 H GLN 49 HN GLN 49 -0.906 -2.639 6.318 307 HA GLN 49 HA GLN 49 -3.159 -1.191 7.334 308 HB2 GLN 49 3HB GLN 49 -0.512 -0.092 6.385 309 HB3 GLN 49 2HB GLN 49 -1.680 0.712 7.425 310 HG2 GLN 49 3HG GLN 49 -1.308 -1.031 9.128 311 HG3 GLN 49 2HG GLN 49 -0.069 -1.731 8.093 312 HE21 GLN 49 1HE2 GLN 49 -0.656 1.700 8.518 313 HE22 GLN 49 2HE2 GLN 49 0.830 2.048 9.335 314 H CYS 50 HN CYS 50 -1.170 -0.897 4.360 315 HA CYS 50 HA CYS 50 -3.269 0.851 3.318 316 HB2 CYS 50 3HB CYS 50 -0.466 0.386 2.366 317 HB3 CYS 50 2HB CYS 50 -1.650 1.285 1.442 318 H ARG 51 HN ARG 51 -1.709 -2.227 2.672 319 HA ARG 51 HA ARG 51 -3.044 -3.038 0.410 320 HB2 ARG 51 3HB ARG 51 -1.633 -4.685 1.123 321 HB3 ARG 51 2HB ARG 51 -1.960 -4.392 2.818 322 HG2 ARG 51 3HG ARG 51 -2.711 -6.553 2.332 323 HG3 ARG 51 2HG ARG 51 -4.131 -5.529 2.509 324 HD2 ARG 51 3HD ARG 51 -4.458 -5.458 0.138 325 HD3 ARG 51 2HD ARG 51 -2.900 -6.238 -0.148 326 HE ARG 51 HE ARG 51 -4.801 -7.757 1.421 327 HH11 ARG 51 1HH1 ARG 51 -3.518 -7.106 -1.761 328 HH12 ARG 51 2HH1 ARG 51 -3.973 -8.650 -2.399 329 HH21 ARG 51 1HH2 ARG 51 -5.389 -9.794 0.601 330 HH22 ARG 51 2HH2 ARG 51 -5.038 -10.186 -1.052 331 H ALA 52 HN ALA 52 -4.274 -3.017 3.780 332 HA ALA 52 HA ALA 52 -6.878 -3.921 2.880 333 HB1 ALA 52 1HB ALA 52 -6.032 -2.892 5.585 334 HB2 ALA 52 2HB ALA 52 -6.092 -4.583 5.088 335 HB3 ALA 52 3HB ALA 52 -7.579 -3.644 5.205 336 H ARG 53 HN ARG 53 -5.243 -0.957 3.179 337 HA ARG 53 HA ARG 53 -7.622 0.642 3.393 338 HB2 ARG 53 3HB ARG 53 -5.263 1.227 4.307 339 HB3 ARG 53 2HB ARG 53 -4.948 1.757 2.660 340 HG2 ARG 53 3HG ARG 53 -6.933 3.258 2.843 341 HG3 ARG 53 2HG ARG 53 -7.036 2.821 4.548 342 HD2 ARG 53 3HD ARG 53 -5.856 4.887 4.393 343 HD3 ARG 53 2HD ARG 53 -4.690 3.635 4.817 344 HE ARG 53 HE ARG 53 -4.580 3.783 2.091 345 HH11 ARG 53 1HH1 ARG 53 -4.152 6.062 4.711 346 HH12 ARG 53 2HH1 ARG 53 -3.067 7.078 3.822 347 HH21 ARG 53 1HH2 ARG 53 -3.119 5.097 0.927 348 HH22 ARG 53 2HH2 ARG 53 -2.456 6.521 1.672 349 H GLY 54 HN GLY 54 -6.869 -1.178 1.033 350 HA2 GLY 54 2HA GLY 54 -7.788 -1.138 -1.095 351 HA3 GLY 54 1HA GLY 54 -8.131 0.571 -0.886 352 H CYS 55 HN CYS 55 -5.201 0.948 -0.060 353 HA CYS 55 HA CYS 55 -4.183 1.828 -2.454 354 HB2 CYS 55 3HB CYS 55 -2.590 0.832 -0.083 355 HB3 CYS 55 2HB CYS 55 -1.929 1.768 -1.414 356 H ASP 56 HN ASP 56 -3.012 -1.318 -1.001 357 HA ASP 56 HA ASP 56 -4.029 -3.184 -2.498 358 HB2 ASP 56 3HB ASP 56 -2.228 -1.704 -4.358 359 HB3 ASP 56 2HB ASP 56 -2.116 -3.459 -4.378 360 H GLY 57 HN GLY 57 -0.727 -1.870 -1.899 361 HA2 GLY 57 2HA GLY 57 -0.324 -3.924 0.050 362 HA3 GLY 57 1HA GLY 57 0.632 -4.172 -1.402 363 H CYS 58 HN CYS 58 1.982 -3.869 0.793 364 HA CYS 58 HA CYS 58 3.061 -1.142 0.574 365 HB2 CYS 58 3HB CYS 58 3.282 -3.071 2.893 366 HB3 CYS 58 2HB CYS 58 3.908 -1.425 2.846 367 H SER 59 HN SER 59 5.125 -0.934 -0.077 368 HA SER 59 HA SER 59 6.433 -3.441 -0.847 369 HB2 SER 59 3HB SER 59 5.943 -1.771 -2.639 370 HB3 SER 59 2HB SER 59 7.031 -0.639 -1.836 371 HG SER 59 HG SER 59 7.667 -3.130 -3.046 372 H THR 60 HN THR 60 8.935 -3.329 -0.816 373 HA THR 60 HA THR 60 9.824 -3.406 1.760 374 HB THR 60 HB THR 60 12.155 -2.759 0.642 375 HG1 THR 60 1HG THR 60 11.335 -3.790 -1.682 376 HG21 THR 60 1HG2 THR 60 10.613 -5.290 0.041 377 HG22 THR 60 2HG2 THR 60 11.555 -4.970 1.495 378 HG23 THR 60 3HG2 THR 60 12.363 -5.099 -0.065 379 H SER 61 HN SER 61 9.680 -0.371 -0.114 380 HA SER 61 HA SER 61 11.364 1.029 1.725 381 HB2 SER 61 3HB SER 61 11.202 1.638 -0.690 382 HB3 SER 61 2HB SER 61 9.550 2.184 -0.406 383 HG SER 61 HG SER 61 11.948 3.238 0.687 384 H GLY 62 HN GLY 62 8.312 -0.092 2.054 385 HA2 GLY 62 2HA GLY 62 6.807 0.266 3.767 386 HA3 GLY 62 1HA GLY 62 7.817 1.590 4.329 387 H VAL 63 HN VAL 63 6.334 1.166 1.159 388 HA VAL 63 HA VAL 63 4.814 3.632 1.644 389 HB VAL 63 HB VAL 63 5.027 4.130 -0.794 390 HG11 VAL 63 1HG1 VAL 63 7.631 3.888 0.702 391 HG12 VAL 63 2HG1 VAL 63 6.459 5.194 0.874 392 HG13 VAL 63 3HG1 VAL 63 7.305 4.965 -0.657 393 HG21 VAL 63 1HG2 VAL 63 6.730 3.014 -2.110 394 HG22 VAL 63 2HG2 VAL 63 5.526 1.847 -1.569 395 HG23 VAL 63 3HG2 VAL 63 7.094 1.932 -0.769 396 H CYS 64 HN CYS 64 2.831 3.845 0.272 397 HA CYS 64 HA CYS 64 1.475 1.246 0.284 398 HB2 CYS 64 3HB CYS 64 0.191 3.983 0.191 399 HB3 CYS 64 2HB CYS 64 -0.553 2.451 0.595 400 H VAL 65 HN VAL 65 0.957 0.339 -1.574 401 HA VAL 65 HA VAL 65 0.833 1.807 -4.086 402 HB VAL 65 HB VAL 65 2.817 0.782 -5.062 403 HG11 VAL 65 1HG1 VAL 65 3.217 2.859 -3.892 404 HG12 VAL 65 2HG1 VAL 65 4.606 1.780 -3.729 405 HG13 VAL 65 3HG1 VAL 65 3.469 1.970 -2.390 406 HG21 VAL 65 1HG2 VAL 65 3.521 -0.432 -2.412 407 HG22 VAL 65 2HG2 VAL 65 4.181 -0.793 -4.004 408 HG23 VAL 65 3HG2 VAL 65 2.541 -1.305 -3.589 409 H LEU 66 HN LEU 66 0.939 -0.040 -5.952 410 HA LEU 66 HA LEU 66 -0.386 -2.464 -5.167 411 HB2 LEU 66 3HB LEU 66 -0.607 -1.591 -7.447 412 HB3 LEU 66 2HB LEU 66 1.124 -1.715 -7.682 413 HG LEU 66 HG LEU 66 0.930 -4.191 -7.450 414 HD11 LEU 66 1HD1 LEU 66 -1.114 -4.309 -6.156 415 HD12 LEU 66 2HD1 LEU 66 -1.294 -5.204 -7.664 416 HD13 LEU 66 3HD1 LEU 66 -2.026 -3.608 -7.491 417 HD21 LEU 66 1HD2 LEU 66 -0.724 -2.908 -9.620 418 HD22 LEU 66 2HD2 LEU 66 -0.067 -4.544 -9.663 419 HD23 LEU 66 3HD2 LEU 66 1.022 -3.156 -9.642 420 H SER 67 HN SER 67 0.696 -4.067 -4.031 421 HA SER 67 HA SER 67 3.331 -3.648 -3.190 422 HB2 SER 67 3HB SER 67 2.830 -6.310 -2.652 423 HB3 SER 67 2HB SER 67 2.355 -4.954 -1.637 424 HG SER 67 HG SER 67 0.521 -6.131 -2.033 425 H SER 68 HN SER 68 5.104 -5.392 -3.300 426 HA SER 68 HA SER 68 5.477 -6.133 -6.105 427 HB2 SER 68 3HB SER 68 7.542 -6.116 -3.892 428 HB3 SER 68 2HB SER 68 7.830 -6.159 -5.630 429 HG SER 68 HG SER 68 6.326 -4.026 -5.057 430 H LEU 69 HN LEU 69 3.957 -7.944 -5.763 431 HA LEU 69 HA LEU 69 4.519 -10.073 -3.996 432 HB2 LEU 69 3HB LEU 69 3.063 -10.072 -6.642 433 HB3 LEU 69 2HB LEU 69 3.148 -11.461 -5.584 434 HG LEU 69 HG LEU 69 1.042 -10.512 -5.187 435 HD11 LEU 69 1HD1 LEU 69 2.842 -9.456 -3.016 436 HD12 LEU 69 2HD1 LEU 69 2.230 -11.105 -3.141 437 HD13 LEU 69 3HD1 LEU 69 1.113 -9.767 -2.880 438 HD21 LEU 69 1HD2 LEU 69 2.373 -7.818 -4.941 439 HD22 LEU 69 2HD2 LEU 69 0.659 -8.149 -4.691 440 HD23 LEU 69 3HD2 LEU 69 1.376 -8.371 -6.287 441 H HIS 70 HN HIS 70 5.811 -9.195 -7.091 442 HA HIS 70 HA HIS 70 7.804 -11.327 -6.746 443 HB2 HIS 70 3HB HIS 70 6.501 -10.394 -9.295 444 HB3 HIS 70 2HB HIS 70 8.076 -11.173 -9.303 445 HD1 HIS 70 1HD HIS 70 4.673 -11.971 -9.765 446 HD2 HIS 70 2HD HIS 70 7.832 -13.813 -7.794 447 HE1 HIS 70 1HE HIS 70 4.023 -14.391 -9.556 448 HE2 HIS 70 2HE HIS 70 5.870 -15.443 -8.202 449 H HIS 71 HN HIS 71 7.366 -8.457 -8.801 450 HA HIS 71 HA HIS 71 9.359 -6.937 -7.464 451 HB2 HIS 71 3HB HIS 71 10.686 -8.691 -8.820 452 HB3 HIS 71 2HB HIS 71 10.148 -7.805 -10.243 453 HD1 HIS 71 1HD HIS 71 12.634 -7.767 -7.541 454 HD2 HIS 71 2HD HIS 71 11.196 -5.115 -10.400 455 HE1 HIS 71 1HE HIS 71 14.325 -5.911 -7.649 456 HE2 HIS 71 2HE HIS 71 13.434 -4.309 -9.378 457 H HIS 72 HN HIS 72 8.672 -4.903 -7.717 458 HA HIS 72 HA HIS 72 6.670 -4.317 -9.691 459 HB2 HIS 72 3HB HIS 72 6.576 -2.084 -8.698 460 HB3 HIS 72 2HB HIS 72 6.513 -3.325 -7.457 461 HD1 HIS 72 1HD HIS 72 8.211 -3.180 -5.613 462 HD2 HIS 72 2HD HIS 72 9.121 -0.684 -8.814 463 HE1 HIS 72 1HE HIS 72 10.112 -1.732 -4.826 464 HE2 HIS 72 2HE HIS 72 10.629 -0.207 -6.765 465 H HIS 73 HN HIS 73 6.785 -2.937 -11.434 466 HA HIS 73 HA HIS 73 9.459 -1.995 -12.195 467 HB2 HIS 73 3HB HIS 73 7.510 -3.559 -13.874 468 HB3 HIS 73 2HB HIS 73 8.757 -2.553 -14.601 469 HD1 HIS 73 1HD HIS 73 11.146 -3.427 -14.573 470 HD2 HIS 73 2HD HIS 73 8.467 -5.878 -12.550 471 HE1 HIS 73 1HE HIS 73 12.399 -5.558 -14.106 472 HE2 HIS 73 2HE HIS 73 10.700 -7.084 -13.046 473 H HIS 74 HN HIS 74 9.540 -0.053 -13.298 474 HA HIS 74 HA HIS 74 7.051 1.127 -14.236 475 HB2 HIS 74 3HB HIS 74 7.380 3.247 -13.105 476 HB3 HIS 74 2HB HIS 74 7.291 1.961 -11.910 477 HD1 HIS 74 1HD HIS 74 9.469 4.670 -13.152 478 HD2 HIS 74 2HD HIS 74 9.789 1.370 -10.646 479 HE1 HIS 74 1HE HIS 74 11.595 5.009 -11.855 480 HE2 HIS 74 2HE HIS 74 11.744 3.022 -10.312 481 H HIS 75 HN HIS 75 7.324 2.455 -15.982 482 HA HIS 75 HA HIS 75 10.094 2.734 -16.945 483 HB2 HIS 75 3HB HIS 75 7.566 2.173 -18.499 484 HB3 HIS 75 2HB HIS 75 9.077 2.659 -19.255 485 HD1 HIS 75 1HD HIS 75 10.402 0.765 -20.090 486 HD2 HIS 75 2HD HIS 75 8.054 -0.321 -16.838 487 HE1 HIS 75 1HE HIS 75 10.795 -1.695 -19.765 488 HE2 HIS 75 2HE HIS 75 9.241 -2.358 -17.900 Start of MODEL 9 1 H1 MET 1 1HT MET 1 2.957 16.117 8.891 2 H2 MET 1 2HT MET 1 2.083 15.131 9.946 3 H3 MET 1 3HT MET 1 3.756 14.943 9.807 4 HA MET 1 HA MET 1 3.165 16.103 11.844 5 HB2 MET 1 3HB MET 1 4.552 17.813 9.767 6 HB3 MET 1 2HB MET 1 4.602 18.109 11.498 7 HG2 MET 1 3HG MET 1 5.724 15.970 11.834 8 HG3 MET 1 2HG MET 1 5.667 15.671 10.099 9 HE1 MET 1 1HE MET 1 9.466 16.362 10.679 10 HE2 MET 1 2HE MET 1 8.270 15.248 10.017 11 HE3 MET 1 3HE MET 1 8.364 15.508 11.758 12 H CYS 2 HN CYS 2 2.203 17.852 12.876 13 HA CYS 2 HA CYS 2 0.775 19.561 13.269 14 HB2 CYS 2 3HB CYS 2 2.187 20.723 11.563 15 HB3 CYS 2 2HB CYS 2 1.048 20.212 10.327 16 HG CYS 2 HG CYS 2 0.038 22.596 10.501 17 H GLU 3 HN GLU 3 -1.429 20.534 12.420 18 HA GLU 3 HA GLU 3 -3.232 18.352 12.046 19 HB2 GLU 3 3HB GLU 3 -3.760 21.320 11.793 20 HB3 GLU 3 2HB GLU 3 -4.977 20.063 11.967 21 HG2 GLU 3 3HG GLU 3 -4.054 19.519 14.185 22 HG3 GLU 3 2HG GLU 3 -2.909 20.848 14.007 23 H PHE 4 HN PHE 4 -2.509 21.215 10.069 24 HA PHE 4 HA PHE 4 -3.018 19.568 7.653 25 HB2 PHE 4 3HB PHE 4 -3.454 22.565 7.969 26 HB3 PHE 4 2HB PHE 4 -3.726 21.628 6.507 27 HD1 PHE 4 1HD PHE 4 -5.688 20.297 6.228 28 HD2 PHE 4 2HD PHE 4 -4.968 22.346 9.886 29 HE1 PHE 4 1HE PHE 4 -8.017 19.892 6.908 30 HE2 PHE 4 2HE PHE 4 -7.292 21.940 10.575 31 HZ PHE 4 HZ PHE 4 -8.821 20.712 9.087 32 H ILE 5 HN ILE 5 -1.155 19.165 6.686 33 HA ILE 5 HA ILE 5 1.187 20.741 7.211 34 HB ILE 5 HB ILE 5 1.247 18.240 6.804 35 HG12 ILE 5 3HG1 ILE 5 3.433 18.345 5.611 36 HG13 ILE 5 2HG1 ILE 5 3.100 20.033 5.236 37 HG21 ILE 5 1HG2 ILE 5 0.563 19.094 4.046 38 HG22 ILE 5 2HG2 ILE 5 0.178 17.589 4.892 39 HG23 ILE 5 3HG2 ILE 5 1.784 17.841 4.226 40 HD11 ILE 5 1HD1 ILE 5 3.109 20.591 7.585 41 HD12 ILE 5 2HD1 ILE 5 4.603 19.756 7.157 42 HD13 ILE 5 3HD1 ILE 5 3.323 18.894 8.012 43 H GLU 6 HN GLU 6 -0.442 22.515 6.383 44 HA GLU 6 HA GLU 6 -0.456 22.895 3.514 45 HB2 GLU 6 3HB GLU 6 -2.284 23.564 5.209 46 HB3 GLU 6 2HB GLU 6 -1.245 24.937 5.551 47 HG2 GLU 6 3HG GLU 6 -3.010 25.491 3.951 48 HG3 GLU 6 2HG GLU 6 -1.401 25.676 3.255 49 H ASP 7 HN ASP 7 2.038 22.709 3.989 50 HA ASP 7 HA ASP 7 3.357 25.194 4.577 51 HB2 ASP 7 3HB ASP 7 4.371 22.580 3.456 52 HB3 ASP 7 2HB ASP 7 5.394 24.002 3.578 53 H SER 8 HN SER 8 1.536 24.273 2.036 54 HA SER 8 HA SER 8 2.882 25.100 -0.249 55 HB2 SER 8 3HB SER 8 -0.016 25.751 0.173 56 HB3 SER 8 2HB SER 8 0.785 25.124 -1.267 57 HG SER 8 HG SER 8 -0.459 23.766 0.645 58 H GLU 9 HN GLU 9 1.593 26.933 2.374 59 HA GLU 9 HA GLU 9 1.650 29.454 0.928 60 HB2 GLU 9 3HB GLU 9 0.847 28.803 3.763 61 HB3 GLU 9 2HB GLU 9 0.727 30.394 3.022 62 HG2 GLU 9 3HG GLU 9 -0.819 29.482 1.349 63 HG3 GLU 9 2HG GLU 9 -0.720 27.908 2.136 64 H ASP 10 HN ASP 10 4.047 27.756 1.880 65 HA ASP 10 HA ASP 10 5.376 28.819 4.017 66 HB2 ASP 10 3HB ASP 10 7.445 27.959 3.026 67 HB3 ASP 10 2HB ASP 10 6.124 26.812 2.875 68 H ILE 11 HN ILE 11 5.137 31.002 4.204 69 HA ILE 11 HA ILE 11 5.889 32.977 2.398 70 HB ILE 11 HB ILE 11 6.081 33.071 5.416 71 HG12 ILE 11 3HG1 ILE 11 3.838 33.885 3.552 72 HG13 ILE 11 2HG1 ILE 11 3.838 32.470 4.600 73 HG21 ILE 11 1HG2 ILE 11 5.893 35.503 5.155 74 HG22 ILE 11 2HG2 ILE 11 5.942 35.315 3.403 75 HG23 ILE 11 3HG2 ILE 11 7.345 34.875 4.376 76 HD11 ILE 11 1HD1 ILE 11 2.514 34.269 5.543 77 HD12 ILE 11 2HD1 ILE 11 3.918 35.336 5.507 78 HD13 ILE 11 3HD1 ILE 11 3.913 33.921 6.556 79 H GLN 12 HN GLN 12 7.842 31.168 4.731 80 HA GLN 12 HA GLN 12 10.170 32.714 4.506 81 HB2 GLN 12 3HB GLN 12 9.689 31.277 6.397 82 HB3 GLN 12 2HB GLN 12 9.699 29.862 5.360 83 HG2 GLN 12 3HG GLN 12 11.713 30.087 6.679 84 HG3 GLN 12 2HG GLN 12 12.034 30.116 4.951 85 HE21 GLN 12 1HE2 GLN 12 14.005 31.153 5.220 86 HE22 GLN 12 2HE2 GLN 12 14.117 32.824 5.658 87 H GLY 13 HN GLY 13 8.795 30.232 2.517 88 HA2 GLY 13 2HA GLY 13 11.293 29.745 1.104 89 HA3 GLY 13 1HA GLY 13 9.732 29.013 0.751 90 H LEU 14 HN LEU 14 9.644 32.369 1.194 91 HA LEU 14 HA LEU 14 9.291 34.155 -0.152 92 HB2 LEU 14 3HB LEU 14 11.590 33.543 -0.937 93 HB3 LEU 14 2HB LEU 14 10.849 32.614 -2.223 94 HG LEU 14 HG LEU 14 9.833 34.698 -3.104 95 HD11 LEU 14 1HD1 LEU 14 11.504 36.021 -0.972 96 HD12 LEU 14 2HD1 LEU 14 9.743 35.989 -1.050 97 HD13 LEU 14 3HD1 LEU 14 10.663 36.855 -2.281 98 HD21 LEU 14 1HD2 LEU 14 11.884 35.609 -4.031 99 HD22 LEU 14 2HD2 LEU 14 11.958 33.849 -3.980 100 HD23 LEU 14 3HD2 LEU 14 12.827 34.804 -2.780 101 H LYS 15 HN LYS 15 7.580 31.699 -0.190 102 HA LYS 15 HA LYS 15 6.532 31.421 -2.834 103 HB2 LYS 15 3HB LYS 15 6.369 29.683 -0.979 104 HB3 LYS 15 2HB LYS 15 5.093 30.675 -0.282 105 HG2 LYS 15 3HG LYS 15 4.160 28.857 -1.559 106 HG3 LYS 15 2HG LYS 15 3.779 30.399 -2.326 107 HD2 LYS 15 3HD LYS 15 4.442 28.677 -3.956 108 HD3 LYS 15 2HD LYS 15 5.535 30.060 -3.960 109 HE2 LYS 15 3HE LYS 15 6.749 27.935 -4.091 110 HE3 LYS 15 2HE LYS 15 7.142 28.821 -2.622 111 HZ1 LYS 15 1HZ LYS 15 5.661 27.390 -1.378 112 HZ2 LYS 15 2HZ LYS 15 6.802 26.460 -2.215 113 HZ3 LYS 15 3HZ LYS 15 5.216 26.565 -2.801 114 H SER 16 HN SER 16 6.087 33.719 -0.377 115 HA SER 16 HA SER 16 3.412 34.497 -1.033 116 HB2 SER 16 3HB SER 16 5.492 36.079 0.484 117 HB3 SER 16 2HB SER 16 3.738 36.261 0.566 118 HG SER 16 HG SER 16 3.645 34.146 1.451 119 H LEU 17 HN LEU 17 6.296 34.871 -2.625 120 HA LEU 17 HA LEU 17 5.820 37.543 -3.628 121 HB2 LEU 17 3HB LEU 17 8.113 36.685 -3.234 122 HB3 LEU 17 2HB LEU 17 7.854 35.482 -4.481 123 HG LEU 17 HG LEU 17 7.553 37.341 -6.127 124 HD11 LEU 17 1HD1 LEU 17 6.913 39.102 -4.575 125 HD12 LEU 17 2HD1 LEU 17 8.334 39.570 -5.509 126 HD13 LEU 17 3HD1 LEU 17 8.513 39.046 -3.835 127 HD21 LEU 17 1HD2 LEU 17 10.173 37.248 -4.639 128 HD22 LEU 17 2HD2 LEU 17 9.941 37.881 -6.268 129 HD23 LEU 17 3HD2 LEU 17 9.669 36.170 -5.941 130 H ARG 18 HN ARG 18 5.069 34.318 -4.444 131 HA ARG 18 HA ARG 18 4.292 35.090 -7.173 132 HB2 ARG 18 3HB ARG 18 4.812 32.378 -5.954 133 HB3 ARG 18 2HB ARG 18 4.140 32.610 -7.559 134 HG2 ARG 18 3HG ARG 18 6.173 33.769 -8.252 135 HG3 ARG 18 2HG ARG 18 6.849 33.543 -6.634 136 HD2 ARG 18 3HD ARG 18 6.743 31.139 -6.899 137 HD3 ARG 18 2HD ARG 18 5.982 31.319 -8.475 138 HE ARG 18 HE ARG 18 8.465 32.657 -8.444 139 HH11 ARG 18 1HH1 ARG 18 7.093 29.445 -8.455 140 HH12 ARG 18 2HH1 ARG 18 8.437 28.723 -9.281 141 HH21 ARG 18 1HH2 ARG 18 10.262 31.712 -9.526 142 HH22 ARG 18 2HH2 ARG 18 10.254 30.010 -9.863 143 H LYS 19 HN LYS 19 2.214 35.538 -7.433 144 HA LYS 19 HA LYS 19 0.274 34.389 -5.561 145 HB2 LYS 19 3HB LYS 19 0.070 36.717 -7.481 146 HB3 LYS 19 2HB LYS 19 -1.293 36.095 -6.568 147 HG2 LYS 19 3HG LYS 19 -0.474 37.998 -5.415 148 HG3 LYS 19 2HG LYS 19 -0.013 36.581 -4.475 149 HD2 LYS 19 3HD LYS 19 2.240 36.682 -5.447 150 HD3 LYS 19 2HD LYS 19 1.772 38.114 -6.363 151 HE2 LYS 19 3HE LYS 19 1.765 37.898 -3.358 152 HE3 LYS 19 2HE LYS 19 3.039 38.651 -4.316 153 HZ1 LYS 19 1HZ LYS 19 1.397 40.234 -5.151 154 HZ2 LYS 19 2HZ LYS 19 1.529 40.307 -3.468 155 HZ3 LYS 19 3HZ LYS 19 0.207 39.529 -4.176 156 H SER 20 HN SER 20 1.335 32.654 -7.424 157 HA SER 20 HA SER 20 -0.796 32.327 -9.421 158 HB2 SER 20 3HB SER 20 1.826 30.813 -9.242 159 HB3 SER 20 2HB SER 20 0.703 30.856 -10.601 160 HG SER 20 HG SER 20 1.137 33.171 -10.674 161 H HIS 21 HN HIS 21 0.833 30.703 -6.717 162 HA HIS 21 HA HIS 21 -0.639 28.263 -6.984 163 HB2 HIS 21 3HB HIS 21 0.422 27.580 -4.936 164 HB3 HIS 21 2HB HIS 21 1.616 28.423 -5.913 165 HD1 HIS 21 1HD HIS 21 0.031 28.438 -2.616 166 HD2 HIS 21 2HD HIS 21 2.177 31.119 -4.957 167 HE1 HIS 21 1HE HIS 21 0.745 30.278 -1.056 168 HE2 HIS 21 2HE HIS 21 1.940 31.946 -2.520 169 H THR 22 HN THR 22 -1.801 31.166 -6.255 170 HA THR 22 HA THR 22 -3.182 30.702 -3.783 171 HB THR 22 HB THR 22 -4.614 32.690 -4.864 172 HG1 THR 22 1HG THR 22 -3.623 32.645 -6.880 173 HG21 THR 22 1HG2 THR 22 -1.804 32.931 -3.764 174 HG22 THR 22 2HG2 THR 22 -3.292 32.852 -2.822 175 HG23 THR 22 3HG2 THR 22 -2.979 34.241 -3.862 176 H SER 23 HN SER 23 -3.797 28.763 -6.268 177 HA SER 23 HA SER 23 -6.699 29.170 -6.270 178 HB2 SER 23 3HB SER 23 -5.009 27.349 -8.003 179 HB3 SER 23 2HB SER 23 -6.739 27.637 -8.179 180 HG SER 23 HG SER 23 -4.986 29.825 -8.201 181 H LEU 24 HN LEU 24 -4.294 27.439 -4.744 182 HA LEU 24 HA LEU 24 -4.387 25.910 -3.035 183 HB2 LEU 24 3HB LEU 24 -7.340 26.125 -3.550 184 HB3 LEU 24 2HB LEU 24 -6.696 24.956 -2.418 185 HG LEU 24 HG LEU 24 -7.445 26.854 -1.181 186 HD11 LEU 24 1HD1 LEU 24 -5.383 25.800 -0.413 187 HD12 LEU 24 2HD1 LEU 24 -5.431 27.519 -0.025 188 HD13 LEU 24 3HD1 LEU 24 -4.445 26.948 -1.368 189 HD21 LEU 24 1HD2 LEU 24 -7.437 28.525 -2.945 190 HD22 LEU 24 2HD2 LEU 24 -5.673 28.541 -2.942 191 HD23 LEU 24 3HD2 LEU 24 -6.565 29.108 -1.528 192 H GLU 25 HN GLU 25 -5.360 25.282 -6.178 193 HA GLU 25 HA GLU 25 -5.061 22.379 -5.766 194 HB2 GLU 25 3HB GLU 25 -6.601 23.813 -7.942 195 HB3 GLU 25 2HB GLU 25 -6.431 22.069 -7.786 196 HG2 GLU 25 3HG GLU 25 -7.667 22.090 -5.723 197 HG3 GLU 25 2HG GLU 25 -7.734 23.850 -5.742 198 H ASP 26 HN ASP 26 -3.070 24.512 -6.201 199 HA ASP 26 HA ASP 26 -2.185 24.170 -8.932 200 HB2 ASP 26 3HB ASP 26 -1.064 25.751 -6.615 201 HB3 ASP 26 2HB ASP 26 -0.310 25.687 -8.206 202 H ASP 27 HN ASP 27 0.049 23.617 -9.391 203 HA ASP 27 HA ASP 27 0.653 21.110 -8.056 204 HB2 ASP 27 3HB ASP 27 0.411 21.105 -10.487 205 HB3 ASP 27 2HB ASP 27 1.689 22.304 -10.635 206 H ASP 28 HN ASP 28 1.475 24.133 -7.504 207 HA ASP 28 HA ASP 28 4.094 24.668 -7.515 208 HB2 ASP 28 3HB ASP 28 2.565 26.191 -6.469 209 HB3 ASP 28 2HB ASP 28 2.209 25.028 -5.195 210 H ASP 29 HN ASP 29 2.789 23.209 -4.621 211 HA ASP 29 HA ASP 29 3.718 21.867 -3.020 212 HB2 ASP 29 3HB ASP 29 3.002 20.291 -4.802 213 HB3 ASP 29 2HB ASP 29 4.625 20.352 -5.475 214 H GLY 30 HN GLY 30 5.306 24.032 -3.366 215 HA2 GLY 30 2HA GLY 30 7.987 23.629 -4.008 216 HA3 GLY 30 1HA GLY 30 7.396 24.807 -2.843 217 H SER 31 HN SER 31 6.875 23.936 -0.668 218 HA SER 31 HA SER 31 8.939 22.121 0.226 219 HB2 SER 31 3HB SER 31 7.831 22.695 2.492 220 HB3 SER 31 2HB SER 31 8.676 23.990 1.639 221 HG SER 31 HG SER 31 6.695 24.787 2.237 222 H ARG 32 HN ARG 32 5.454 22.421 0.628 223 HA ARG 32 HA ARG 32 4.965 19.699 -0.037 224 HB2 ARG 32 3HB ARG 32 5.847 19.475 2.288 225 HB3 ARG 32 2HB ARG 32 4.517 20.477 2.847 226 HG2 ARG 32 3HG ARG 32 3.883 18.264 3.293 227 HG3 ARG 32 2HG ARG 32 2.962 18.743 1.868 228 HD2 ARG 32 3HD ARG 32 5.566 17.243 1.698 229 HD3 ARG 32 2HD ARG 32 4.011 16.429 1.829 230 HE ARG 32 HE ARG 32 4.317 18.331 -0.354 231 HH11 ARG 32 1HH1 ARG 32 4.272 14.983 0.684 232 HH12 ARG 32 2HH1 ARG 32 4.104 14.372 -0.935 233 HH21 ARG 32 1HH2 ARG 32 4.083 17.541 -2.449 234 HH22 ARG 32 2HH2 ARG 32 3.974 15.821 -2.715 235 H GLY 33 HN GLY 33 3.365 20.354 -1.410 236 HA2 GLY 33 2HA GLY 33 1.240 22.097 -0.392 237 HA3 GLY 33 1HA GLY 33 1.449 21.570 -2.059 238 H GLY 34 HN GLY 34 0.866 20.159 1.148 239 HA2 GLY 34 2HA GLY 34 -0.884 18.709 1.735 240 HA3 GLY 34 1HA GLY 34 -1.274 18.513 0.028 241 H ASP 35 HN ASP 35 -0.664 16.410 2.213 242 HA ASP 35 HA ASP 35 1.584 15.143 0.802 243 HB2 ASP 35 3HB ASP 35 2.285 16.131 3.002 244 HB3 ASP 35 2HB ASP 35 1.180 15.018 3.799 245 H CYS 36 HN CYS 36 -1.576 14.865 2.061 246 HA CYS 36 HA CYS 36 -1.558 12.001 2.333 247 HB2 CYS 36 3HB CYS 36 -4.048 12.301 2.550 248 HB3 CYS 36 2HB CYS 36 -3.095 13.207 3.717 249 HG CYS 36 HG CYS 36 -4.914 15.060 3.224 250 H GLU 37 HN GLU 37 -0.813 11.263 0.374 251 HA GLU 37 HA GLU 37 -2.162 11.936 -2.077 252 HB2 GLU 37 3HB GLU 37 0.295 11.398 -1.872 253 HB3 GLU 37 2HB GLU 37 -0.159 9.726 -1.597 254 HG2 GLU 37 3HG GLU 37 -1.021 11.194 -4.062 255 HG3 GLU 37 2HG GLU 37 0.557 10.416 -3.947 256 H GLY 38 HN GLY 38 -1.711 8.820 -0.331 257 HA2 GLY 38 2HA GLY 38 -3.838 7.899 0.523 258 HA3 GLY 38 1HA GLY 38 -4.513 8.216 -1.064 259 H CYS 39 HN CYS 39 -1.963 7.205 -2.389 260 HA CYS 39 HA CYS 39 -1.888 4.417 -1.697 261 HB2 CYS 39 3HB CYS 39 -4.101 4.947 -3.019 262 HB3 CYS 39 2HB CYS 39 -3.026 4.942 -4.414 263 H SER 40 HN SER 40 0.326 5.491 -1.674 264 HA SER 40 HA SER 40 2.208 4.612 -3.238 265 HB2 SER 40 3HB SER 40 0.954 5.492 -5.220 266 HB3 SER 40 2HB SER 40 1.309 7.124 -4.670 267 HG SER 40 HG SER 40 3.283 6.931 -5.381 268 H GLY 41 HN GLY 41 1.083 7.914 -2.717 269 HA2 GLY 41 2HA GLY 41 3.623 8.574 -1.365 270 HA3 GLY 41 1HA GLY 41 2.334 9.719 -1.695 271 H THR 42 HN THR 42 1.677 6.627 -0.291 272 HA THR 42 HA THR 42 1.413 7.882 2.369 273 HB THR 42 HB THR 42 -0.325 5.705 1.174 274 HG1 THR 42 1HG THR 42 -1.194 8.260 2.037 275 HG21 THR 42 1HG2 THR 42 -0.519 7.079 3.860 276 HG22 THR 42 2HG2 THR 42 0.016 5.419 3.598 277 HG23 THR 42 3HG2 THR 42 -1.644 5.880 3.221 278 H ALA 43 HN ALA 43 2.551 6.931 3.957 279 HA ALA 43 HA ALA 43 4.252 4.696 3.133 280 HB1 ALA 43 1HB ALA 43 5.667 5.335 5.009 281 HB2 ALA 43 2HB ALA 43 4.476 6.528 5.526 282 HB3 ALA 43 3HB ALA 43 5.320 6.733 3.991 283 H CYS 44 HN CYS 44 3.983 2.786 3.748 284 HA CYS 44 HA CYS 44 2.411 2.147 6.149 285 HB2 CYS 44 3HB CYS 44 2.303 -0.131 5.103 286 HB3 CYS 44 2HB CYS 44 1.505 1.131 4.170 287 H SER 45 HN SER 45 3.528 1.438 7.855 288 HA SER 45 HA SER 45 6.076 0.097 7.430 289 HB2 SER 45 3HB SER 45 5.922 -0.225 9.963 290 HB3 SER 45 2HB SER 45 6.039 1.447 9.412 291 HG SER 45 HG SER 45 4.281 0.597 11.023 292 H SER 46 HN SER 46 2.716 -0.525 7.941 293 HA SER 46 HA SER 46 3.270 -3.405 8.059 294 HB2 SER 46 3HB SER 46 0.779 -1.950 8.965 295 HB3 SER 46 2HB SER 46 1.096 -3.674 9.134 296 HG SER 46 HG SER 46 3.140 -2.600 10.249 297 H ASP 47 HN ASP 47 2.299 -4.721 6.572 298 HA ASP 47 HA ASP 47 1.298 -3.744 4.166 299 HB2 ASP 47 3HB ASP 47 1.214 -6.455 5.444 300 HB3 ASP 47 2HB ASP 47 0.450 -6.158 3.885 301 H ALA 48 HN ALA 48 -0.499 -4.795 7.065 302 HA ALA 48 HA ALA 48 -2.978 -5.012 5.949 303 HB1 ALA 48 1HB ALA 48 -2.291 -4.075 8.723 304 HB2 ALA 48 2HB ALA 48 -2.454 -5.752 8.204 305 HB3 ALA 48 3HB ALA 48 -3.860 -4.689 8.204 306 H GLN 49 HN GLN 49 -1.151 -2.182 6.531 307 HA GLN 49 HA GLN 49 -3.304 -0.348 6.816 308 HB2 GLN 49 3HB GLN 49 -0.418 0.129 6.054 309 HB3 GLN 49 2HB GLN 49 -1.573 1.378 6.513 310 HG2 GLN 49 3HG GLN 49 -1.827 0.332 8.691 311 HG3 GLN 49 2HG GLN 49 -0.645 -0.891 8.240 312 HE21 GLN 49 1HE2 GLN 49 -0.437 1.022 10.488 313 HE22 GLN 49 2HE2 GLN 49 0.963 1.977 10.169 314 H CYS 50 HN CYS 50 -1.370 -1.562 4.154 315 HA CYS 50 HA CYS 50 -2.732 0.156 2.242 316 HB2 CYS 50 3HB CYS 50 -0.911 -2.169 1.643 317 HB3 CYS 50 2HB CYS 50 -1.393 -0.894 0.542 318 H ARG 51 HN ARG 51 -2.815 -3.138 3.383 319 HA ARG 51 HA ARG 51 -4.583 -4.232 1.533 320 HB2 ARG 51 3HB ARG 51 -4.311 -4.826 4.491 321 HB3 ARG 51 2HB ARG 51 -5.212 -5.810 3.357 322 HG2 ARG 51 3HG ARG 51 -2.246 -5.327 3.369 323 HG3 ARG 51 2HG ARG 51 -3.088 -6.824 3.759 324 HD2 ARG 51 3HD ARG 51 -3.187 -5.455 1.085 325 HD3 ARG 51 2HD ARG 51 -2.102 -6.784 1.488 326 HE ARG 51 HE ARG 51 -4.809 -7.467 2.031 327 HH11 ARG 51 1HH1 ARG 51 -2.540 -7.048 -0.595 328 HH12 ARG 51 2HH1 ARG 51 -3.298 -8.235 -1.608 329 HH21 ARG 51 1HH2 ARG 51 -5.823 -9.012 0.694 330 HH22 ARG 51 2HH2 ARG 51 -5.166 -9.356 -0.874 331 H ALA 52 HN ALA 52 -5.212 -2.606 4.622 332 HA ALA 52 HA ALA 52 -8.045 -2.514 4.183 333 HB1 ALA 52 1HB ALA 52 -8.113 -1.155 6.201 334 HB2 ALA 52 2HB ALA 52 -6.357 -0.994 6.170 335 HB3 ALA 52 3HB ALA 52 -7.092 -2.572 6.445 336 H ARG 53 HN ARG 53 -5.362 -0.699 3.124 337 HA ARG 53 HA ARG 53 -6.662 1.817 2.844 338 HB2 ARG 53 3HB ARG 53 -4.166 1.459 2.882 339 HB3 ARG 53 2HB ARG 53 -4.313 0.874 1.233 340 HG2 ARG 53 3HG ARG 53 -3.610 3.161 1.193 341 HG3 ARG 53 2HG ARG 53 -5.263 3.063 0.582 342 HD2 ARG 53 3HD ARG 53 -5.045 4.961 2.063 343 HD3 ARG 53 2HD ARG 53 -6.094 3.749 2.793 344 HE ARG 53 HE ARG 53 -3.341 3.545 3.604 345 HH11 ARG 53 1HH1 ARG 53 -6.429 5.055 4.256 346 HH12 ARG 53 2HH1 ARG 53 -6.051 5.411 5.911 347 HH21 ARG 53 1HH2 ARG 53 -2.832 4.014 5.788 348 HH22 ARG 53 2HH2 ARG 53 -4.004 4.817 6.783 349 H GLY 54 HN GLY 54 -7.031 -1.076 1.243 350 HA2 GLY 54 2HA GLY 54 -8.225 -1.621 -0.665 351 HA3 GLY 54 1HA GLY 54 -8.527 0.095 -0.920 352 H CYS 55 HN CYS 55 -5.375 -0.108 -0.332 353 HA CYS 55 HA CYS 55 -4.629 0.300 -3.043 354 HB2 CYS 55 3HB CYS 55 -3.030 0.146 -0.497 355 HB3 CYS 55 2HB CYS 55 -2.227 0.199 -2.067 356 H ASP 56 HN ASP 56 -2.829 -2.102 -1.060 357 HA ASP 56 HA ASP 56 -3.586 -4.414 -2.338 358 HB2 ASP 56 3HB ASP 56 -2.948 -3.497 -4.473 359 HB3 ASP 56 2HB ASP 56 -1.401 -2.952 -3.844 360 H GLY 57 HN GLY 57 -0.433 -2.721 -1.705 361 HA2 GLY 57 2HA GLY 57 0.029 -4.477 0.522 362 HA3 GLY 57 1HA GLY 57 0.977 -4.922 -0.888 363 H CYS 58 HN CYS 58 2.003 -4.108 1.587 364 HA CYS 58 HA CYS 58 3.055 -1.444 1.243 365 HB2 CYS 58 3HB CYS 58 2.687 -2.739 3.461 366 HB3 CYS 58 2HB CYS 58 4.196 -3.555 3.066 367 H SER 59 HN SER 59 4.883 -0.924 0.106 368 HA SER 59 HA SER 59 6.081 -3.059 -1.423 369 HB2 SER 59 3HB SER 59 7.288 -1.277 -2.566 370 HB3 SER 59 2HB SER 59 5.594 -0.812 -2.394 371 HG SER 59 HG SER 59 7.585 0.628 -1.679 372 H THR 60 HN THR 60 8.580 -3.137 -1.601 373 HA THR 60 HA THR 60 9.824 -3.391 0.894 374 HB THR 60 HB THR 60 11.969 -3.042 -0.634 375 HG1 THR 60 1HG THR 60 10.594 -2.244 -2.395 376 HG21 THR 60 1HG2 THR 60 10.085 -5.387 -0.898 377 HG22 THR 60 2HG2 THR 60 11.264 -5.153 0.392 378 HG23 THR 60 3HG2 THR 60 11.809 -5.400 -1.267 379 H SER 61 HN SER 61 8.768 -0.419 -0.203 380 HA SER 61 HA SER 61 11.010 0.928 1.081 381 HB2 SER 61 3HB SER 61 10.403 2.911 -0.389 382 HB3 SER 61 2HB SER 61 11.144 1.535 -1.204 383 HG SER 61 HG SER 61 8.937 2.666 -1.887 384 H GLY 62 HN GLY 62 8.305 -0.044 2.123 385 HA2 GLY 62 2HA GLY 62 6.708 0.687 3.567 386 HA3 GLY 62 1HA GLY 62 7.812 2.002 3.923 387 H VAL 63 HN VAL 63 6.118 1.302 0.870 388 HA VAL 63 HA VAL 63 4.491 3.714 1.346 389 HB VAL 63 HB VAL 63 4.639 4.405 -0.926 390 HG11 VAL 63 1HG1 VAL 63 7.377 3.642 0.058 391 HG12 VAL 63 2HG1 VAL 63 6.496 5.125 0.422 392 HG13 VAL 63 3HG1 VAL 63 7.047 4.808 -1.222 393 HG21 VAL 63 1HG2 VAL 63 5.869 3.213 -2.651 394 HG22 VAL 63 2HG2 VAL 63 4.578 2.207 -1.995 395 HG23 VAL 63 3HG2 VAL 63 6.248 1.926 -1.509 396 H CYS 64 HN CYS 64 2.460 3.689 -0.005 397 HA CYS 64 HA CYS 64 1.352 0.963 0.353 398 HB2 CYS 64 3HB CYS 64 0.293 3.615 1.092 399 HB3 CYS 64 2HB CYS 64 -0.851 2.672 0.160 400 H VAL 65 HN VAL 65 1.149 -0.060 -1.522 401 HA VAL 65 HA VAL 65 0.203 1.360 -3.884 402 HB VAL 65 HB VAL 65 2.227 0.729 -5.207 403 HG11 VAL 65 1HG1 VAL 65 2.671 2.521 -2.862 404 HG12 VAL 65 2HG1 VAL 65 2.021 2.969 -4.438 405 HG13 VAL 65 3HG1 VAL 65 3.704 2.459 -4.289 406 HG21 VAL 65 1HG2 VAL 65 3.025 -1.076 -3.758 407 HG22 VAL 65 2HG2 VAL 65 3.427 0.106 -2.514 408 HG23 VAL 65 3HG2 VAL 65 4.280 0.124 -4.058 409 H LEU 66 HN LEU 66 0.316 -0.157 -5.845 410 HA LEU 66 HA LEU 66 -0.181 -2.908 -5.260 411 HB2 LEU 66 3HB LEU 66 -0.699 -1.488 -7.418 412 HB3 LEU 66 2HB LEU 66 0.928 -1.943 -7.880 413 HG LEU 66 HG LEU 66 -1.225 -3.941 -7.200 414 HD11 LEU 66 1HD1 LEU 66 -1.422 -4.262 -9.635 415 HD12 LEU 66 2HD1 LEU 66 -0.373 -2.868 -9.882 416 HD13 LEU 66 3HD1 LEU 66 -1.947 -2.664 -9.114 417 HD21 LEU 66 1HD2 LEU 66 1.086 -4.751 -7.000 418 HD22 LEU 66 2HD2 LEU 66 1.391 -4.248 -8.663 419 HD23 LEU 66 3HD2 LEU 66 0.221 -5.525 -8.329 420 H SER 67 HN SER 67 1.464 -3.506 -3.875 421 HA SER 67 HA SER 67 4.160 -2.784 -3.990 422 HB2 SER 67 3HB SER 67 3.152 -3.825 -1.947 423 HB3 SER 67 2HB SER 67 3.102 -5.385 -2.783 424 HG SER 67 HG SER 67 4.970 -4.786 -1.330 425 H SER 68 HN SER 68 6.107 -4.188 -4.542 426 HA SER 68 HA SER 68 5.674 -5.385 -7.131 427 HB2 SER 68 3HB SER 68 8.240 -5.037 -5.563 428 HB3 SER 68 2HB SER 68 8.097 -5.383 -7.287 429 HG SER 68 HG SER 68 8.408 -3.193 -7.080 430 H LEU 69 HN LEU 69 4.329 -7.082 -5.999 431 HA LEU 69 HA LEU 69 5.834 -9.094 -4.546 432 HB2 LEU 69 3HB LEU 69 3.616 -8.425 -3.739 433 HB3 LEU 69 2HB LEU 69 2.904 -8.931 -5.258 434 HG LEU 69 HG LEU 69 3.643 -11.268 -4.755 435 HD11 LEU 69 1HD1 LEU 69 4.284 -10.097 -2.052 436 HD12 LEU 69 2HD1 LEU 69 5.445 -10.759 -3.202 437 HD13 LEU 69 3HD1 LEU 69 4.249 -11.814 -2.451 438 HD21 LEU 69 1HD2 LEU 69 1.879 -11.688 -3.115 439 HD22 LEU 69 2HD2 LEU 69 1.357 -10.538 -4.346 440 HD23 LEU 69 3HD2 LEU 69 1.815 -9.967 -2.742 441 H HIS 70 HN HIS 70 7.141 -10.019 -6.092 442 HA HIS 70 HA HIS 70 5.969 -11.294 -8.416 443 HB2 HIS 70 3HB HIS 70 8.736 -11.643 -7.220 444 HB3 HIS 70 2HB HIS 70 8.215 -12.192 -8.808 445 HD1 HIS 70 1HD HIS 70 9.659 -9.318 -7.057 446 HD2 HIS 70 2HD HIS 70 7.705 -10.018 -10.658 447 HE1 HIS 70 1HE HIS 70 10.108 -7.292 -8.476 448 HE2 HIS 70 2HE HIS 70 8.978 -7.769 -10.678 449 H HIS 71 HN HIS 71 4.362 -12.381 -7.055 450 HA HIS 71 HA HIS 71 4.859 -13.824 -4.790 451 HB2 HIS 71 3HB HIS 71 2.714 -14.851 -5.038 452 HB3 HIS 71 2HB HIS 71 2.603 -13.211 -5.651 453 HD1 HIS 71 1HD HIS 71 1.533 -16.496 -6.432 454 HD2 HIS 71 2HD HIS 71 2.930 -13.290 -8.684 455 HE1 HIS 71 1HE HIS 71 0.755 -16.930 -8.780 456 HE2 HIS 71 2HE HIS 71 1.531 -14.936 -10.110 457 H HIS 72 HN HIS 72 6.233 -15.370 -4.437 458 HA HIS 72 HA HIS 72 6.061 -17.775 -6.074 459 HB2 HIS 72 3HB HIS 72 8.475 -18.027 -6.274 460 HB3 HIS 72 2HB HIS 72 7.963 -16.519 -7.015 461 HD1 HIS 72 1HD HIS 72 10.278 -17.901 -4.549 462 HD2 HIS 72 2HD HIS 72 8.659 -14.178 -5.436 463 HE1 HIS 72 1HE HIS 72 11.753 -16.229 -3.391 464 HE2 HIS 72 2HE HIS 72 10.850 -13.979 -4.079 465 H HIS 73 HN HIS 73 5.327 -16.796 -3.319 466 HA HIS 73 HA HIS 73 6.911 -18.338 -1.498 467 HB2 HIS 73 3HB HIS 73 4.194 -17.049 -1.272 468 HB3 HIS 73 2HB HIS 73 4.851 -18.051 0.012 469 HD1 HIS 73 1HD HIS 73 5.246 -16.317 1.763 470 HD2 HIS 73 2HD HIS 73 6.912 -15.278 -1.900 471 HE1 HIS 73 1HE HIS 73 6.595 -14.240 2.198 472 HE2 HIS 73 2HE HIS 73 7.500 -13.564 -0.050 473 H HIS 74 HN HIS 74 6.865 -20.459 -1.221 474 HA HIS 74 HA HIS 74 4.640 -21.963 -2.402 475 HB2 HIS 74 3HB HIS 74 7.110 -22.383 -3.024 476 HB3 HIS 74 2HB HIS 74 7.241 -23.145 -1.443 477 HD1 HIS 74 1HD HIS 74 5.667 -23.574 -4.811 478 HD2 HIS 74 2HD HIS 74 6.050 -25.661 -1.235 479 HE1 HIS 74 1HE HIS 74 4.871 -25.908 -5.299 480 HE2 HIS 74 2HE HIS 74 4.985 -27.108 -3.092 481 H HIS 75 HN HIS 75 5.943 -20.948 0.544 482 HA HIS 75 HA HIS 75 4.147 -22.772 1.984 483 HB2 HIS 75 3HB HIS 75 6.917 -21.928 2.855 484 HB3 HIS 75 2HB HIS 75 5.763 -22.762 3.885 485 HD1 HIS 75 1HD HIS 75 5.183 -25.260 3.202 486 HD2 HIS 75 2HD HIS 75 8.371 -23.531 1.170 487 HE1 HIS 75 1HE HIS 75 6.421 -27.170 2.138 488 HE2 HIS 75 2HE HIS 75 8.439 -26.114 1.064 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -4.294 6.780 -23.654 2 H2 MET 1 2HT MET 1 -2.636 7.110 -23.678 3 H3 MET 1 3HT MET 1 -3.653 7.976 -22.646 4 HA MET 1 HA MET 1 -4.126 6.024 -21.368 5 HB2 MET 1 3HB MET 1 -2.155 4.644 -23.207 6 HB3 MET 1 2HB MET 1 -2.940 3.927 -21.806 7 HG2 MET 1 3HG MET 1 -4.274 4.847 -24.339 8 HG3 MET 1 2HG MET 1 -4.005 3.181 -23.835 9 HE1 MET 1 1HE MET 1 -6.448 2.750 -20.850 10 HE2 MET 1 2HE MET 1 -4.714 3.068 -20.835 11 HE3 MET 1 3HE MET 1 -5.391 1.932 -22.000 12 H CYS 2 HN CYS 2 -2.588 5.165 -19.722 13 HA CYS 2 HA CYS 2 -0.234 6.926 -19.553 14 HB2 CYS 2 3HB CYS 2 -1.922 5.826 -17.293 15 HB3 CYS 2 2HB CYS 2 -0.530 6.890 -17.118 16 HG CYS 2 HG CYS 2 -1.977 8.847 -18.843 17 H GLU 3 HN GLU 3 0.511 4.902 -20.860 18 HA GLU 3 HA GLU 3 1.103 2.584 -19.245 19 HB2 GLU 3 3HB GLU 3 1.913 3.321 -22.060 20 HB3 GLU 3 2HB GLU 3 2.271 1.782 -21.292 21 HG2 GLU 3 3HG GLU 3 -0.461 2.887 -21.895 22 HG3 GLU 3 2HG GLU 3 0.353 1.568 -22.738 23 H PHE 4 HN PHE 4 2.737 5.456 -20.351 24 HA PHE 4 HA PHE 4 5.367 4.534 -19.606 25 HB2 PHE 4 3HB PHE 4 6.084 6.843 -20.023 26 HB3 PHE 4 2HB PHE 4 5.113 6.230 -21.353 27 HD1 PHE 4 1HD PHE 4 2.810 7.044 -21.675 28 HD2 PHE 4 2HD PHE 4 5.380 8.698 -18.716 29 HE1 PHE 4 1HE PHE 4 1.342 9.006 -21.507 30 HE2 PHE 4 2HE PHE 4 3.915 10.666 -18.540 31 HZ PHE 4 HZ PHE 4 1.894 10.823 -19.938 32 H ILE 5 HN ILE 5 2.697 5.711 -17.887 33 HA ILE 5 HA ILE 5 4.201 6.926 -15.751 34 HB ILE 5 HB ILE 5 1.667 7.357 -16.435 35 HG12 ILE 5 3HG1 ILE 5 1.287 8.243 -14.124 36 HG13 ILE 5 2HG1 ILE 5 2.761 7.423 -13.620 37 HG21 ILE 5 1HG2 ILE 5 1.431 5.218 -14.316 38 HG22 ILE 5 2HG2 ILE 5 0.737 5.188 -15.936 39 HG23 ILE 5 3HG2 ILE 5 0.140 6.336 -14.743 40 HD11 ILE 5 1HD1 ILE 5 4.057 8.782 -15.159 41 HD12 ILE 5 2HD1 ILE 5 3.127 9.793 -14.055 42 HD13 ILE 5 3HD1 ILE 5 2.585 9.571 -15.718 43 H GLU 6 HN GLU 6 4.344 3.886 -16.579 44 HA GLU 6 HA GLU 6 3.830 2.707 -13.948 45 HB2 GLU 6 3HB GLU 6 4.780 1.358 -16.491 46 HB3 GLU 6 2HB GLU 6 4.466 0.547 -14.971 47 HG2 GLU 6 3HG GLU 6 2.085 1.473 -15.180 48 HG3 GLU 6 2HG GLU 6 2.505 1.776 -16.866 49 H ASP 7 HN ASP 7 5.869 4.695 -14.395 50 HA ASP 7 HA ASP 7 8.402 3.269 -14.246 51 HB2 ASP 7 3HB ASP 7 9.408 5.511 -14.337 52 HB3 ASP 7 2HB ASP 7 8.265 5.271 -15.653 53 H SER 8 HN SER 8 6.301 3.244 -12.106 54 HA SER 8 HA SER 8 6.866 4.834 -9.928 55 HB2 SER 8 3HB SER 8 4.909 3.342 -10.088 56 HB3 SER 8 2HB SER 8 5.963 1.944 -9.897 57 HG SER 8 HG SER 8 5.519 4.011 -8.000 58 H GLU 9 HN GLU 9 8.372 1.755 -10.833 59 HA GLU 9 HA GLU 9 9.854 1.448 -8.457 60 HB2 GLU 9 3HB GLU 9 11.124 -0.250 -9.695 61 HB3 GLU 9 2HB GLU 9 9.391 -0.433 -9.911 62 HG2 GLU 9 3HG GLU 9 9.565 0.674 -12.097 63 HG3 GLU 9 2HG GLU 9 11.311 0.787 -11.878 64 H ASP 10 HN ASP 10 10.575 3.138 -11.469 65 HA ASP 10 HA ASP 10 13.304 3.590 -10.520 66 HB2 ASP 10 3HB ASP 10 13.776 4.451 -12.795 67 HB3 ASP 10 2HB ASP 10 13.216 2.785 -12.783 68 H ILE 11 HN ILE 11 10.411 5.076 -10.152 69 HA ILE 11 HA ILE 11 11.177 7.806 -10.300 70 HB ILE 11 HB ILE 11 9.237 6.454 -8.401 71 HG12 ILE 11 3HG1 ILE 11 8.773 8.057 -10.926 72 HG13 ILE 11 2HG1 ILE 11 8.576 6.315 -10.758 73 HG21 ILE 11 1HG2 ILE 11 10.043 8.541 -7.442 74 HG22 ILE 11 2HG2 ILE 11 8.358 8.692 -7.941 75 HG23 ILE 11 3HG2 ILE 11 9.637 9.396 -8.930 76 HD11 ILE 11 1HD1 ILE 11 6.952 8.450 -9.396 77 HD12 ILE 11 2HD1 ILE 11 6.787 6.719 -9.106 78 HD13 ILE 11 3HD1 ILE 11 6.426 7.384 -10.699 79 H GLN 12 HN GLN 12 11.509 5.285 -7.881 80 HA GLN 12 HA GLN 12 12.656 6.775 -5.820 81 HB2 GLN 12 3HB GLN 12 11.626 4.551 -5.606 82 HB3 GLN 12 2HB GLN 12 12.925 3.862 -6.567 83 HG2 GLN 12 3HG GLN 12 13.257 3.424 -4.248 84 HG3 GLN 12 2HG GLN 12 14.520 4.483 -4.860 85 HE21 GLN 12 1HE2 GLN 12 15.016 5.283 -2.826 86 HE22 GLN 12 2HE2 GLN 12 13.971 6.372 -1.981 87 H GLY 13 HN GLY 13 13.889 5.605 -8.811 88 HA2 GLY 13 2HA GLY 13 16.674 5.692 -8.064 89 HA3 GLY 13 1HA GLY 13 16.029 5.479 -9.686 90 H LEU 14 HN LEU 14 14.571 8.074 -8.201 91 HA LEU 14 HA LEU 14 14.754 10.325 -8.257 92 HB2 LEU 14 3HB LEU 14 17.696 9.808 -8.669 93 HB3 LEU 14 2HB LEU 14 16.983 11.361 -8.281 94 HG LEU 14 HG LEU 14 16.951 8.921 -6.504 95 HD11 LEU 14 1HD1 LEU 14 18.489 11.501 -6.283 96 HD12 LEU 14 2HD1 LEU 14 19.163 9.925 -6.695 97 HD13 LEU 14 3HD1 LEU 14 18.476 10.198 -5.094 98 HD21 LEU 14 1HD2 LEU 14 15.935 11.720 -6.034 99 HD22 LEU 14 2HD2 LEU 14 16.058 10.463 -4.805 100 HD23 LEU 14 3HD2 LEU 14 14.959 10.257 -6.168 101 H LYS 15 HN LYS 15 14.136 8.889 -10.645 102 HA LYS 15 HA LYS 15 15.395 10.114 -12.880 103 HB2 LYS 15 3HB LYS 15 13.991 8.068 -13.115 104 HB3 LYS 15 2HB LYS 15 12.564 9.030 -12.744 105 HG2 LYS 15 3HG LYS 15 12.892 10.349 -14.742 106 HG3 LYS 15 2HG LYS 15 14.385 9.487 -15.096 107 HD2 LYS 15 3HD LYS 15 12.734 8.542 -16.500 108 HD3 LYS 15 2HD LYS 15 12.996 7.377 -15.205 109 HE2 LYS 15 3HE LYS 15 10.796 9.411 -15.043 110 HE3 LYS 15 2HE LYS 15 10.579 7.906 -15.931 111 HZ1 LYS 15 1HZ LYS 15 11.187 6.714 -13.868 112 HZ2 LYS 15 2HZ LYS 15 9.753 7.616 -13.735 113 HZ3 LYS 15 3HZ LYS 15 11.185 8.198 -13.045 114 H SER 16 HN SER 16 13.076 11.207 -10.604 115 HA SER 16 HA SER 16 12.002 13.333 -12.190 116 HB2 SER 16 3HB SER 16 10.829 12.269 -10.221 117 HB3 SER 16 2HB SER 16 11.979 13.097 -9.172 118 HG SER 16 HG SER 16 10.205 14.337 -11.011 119 H LEU 17 HN LEU 17 14.931 12.841 -10.564 120 HA LEU 17 HA LEU 17 15.483 15.647 -10.103 121 HB2 LEU 17 3HB LEU 17 16.415 13.847 -8.654 122 HB3 LEU 17 2HB LEU 17 17.341 13.262 -10.021 123 HG LEU 17 HG LEU 17 18.573 15.409 -10.079 124 HD11 LEU 17 1HD1 LEU 17 17.016 16.003 -7.565 125 HD12 LEU 17 2HD1 LEU 17 16.889 16.859 -9.101 126 HD13 LEU 17 3HD1 LEU 17 18.383 16.938 -8.169 127 HD21 LEU 17 1HD2 LEU 17 18.612 13.991 -7.417 128 HD22 LEU 17 2HD2 LEU 17 19.895 15.016 -8.060 129 HD23 LEU 17 3HD2 LEU 17 19.486 13.503 -8.869 130 H ARG 18 HN ARG 18 15.329 13.661 -12.726 131 HA ARG 18 HA ARG 18 17.547 14.887 -14.177 132 HB2 ARG 18 3HB ARG 18 17.261 12.440 -14.288 133 HB3 ARG 18 2HB ARG 18 15.658 12.662 -14.969 134 HG2 ARG 18 3HG ARG 18 16.634 13.712 -16.942 135 HG3 ARG 18 2HG ARG 18 18.246 13.506 -16.255 136 HD2 ARG 18 3HD ARG 18 17.906 11.079 -16.211 137 HD3 ARG 18 2HD ARG 18 16.310 11.296 -16.926 138 HE ARG 18 HE ARG 18 18.120 12.518 -18.631 139 HH11 ARG 18 1HH1 ARG 18 17.486 9.312 -17.397 140 HH12 ARG 18 2HH1 ARG 18 18.087 8.507 -18.811 141 HH21 ARG 18 1HH2 ARG 18 18.937 11.459 -20.497 142 HH22 ARG 18 2HH2 ARG 18 18.913 9.728 -20.574 143 H LYS 19 HN LYS 19 16.862 16.927 -14.625 144 HA LYS 19 HA LYS 19 15.910 18.593 -15.826 145 HB2 LYS 19 3HB LYS 19 15.053 16.311 -17.609 146 HB3 LYS 19 2HB LYS 19 14.957 18.008 -18.044 147 HG2 LYS 19 3HG LYS 19 17.464 16.441 -17.474 148 HG3 LYS 19 2HG LYS 19 16.897 16.991 -19.051 149 HD2 LYS 19 3HD LYS 19 17.692 18.772 -16.749 150 HD3 LYS 19 2HD LYS 19 18.677 18.431 -18.169 151 HE2 LYS 19 3HE LYS 19 17.078 19.504 -19.603 152 HE3 LYS 19 2HE LYS 19 15.952 19.709 -18.263 153 HZ1 LYS 19 1HZ LYS 19 17.563 21.171 -17.196 154 HZ2 LYS 19 2HZ LYS 19 17.117 21.757 -18.717 155 HZ3 LYS 19 3HZ LYS 19 18.613 20.996 -18.511 156 H SER 20 HN SER 20 14.251 17.232 -13.726 157 HA SER 20 HA SER 20 11.614 17.951 -14.819 158 HB2 SER 20 3HB SER 20 12.170 15.959 -12.611 159 HB3 SER 20 2HB SER 20 10.599 16.328 -13.323 160 HG SER 20 HG SER 20 12.676 15.536 -15.029 161 H HIS 21 HN HIS 21 12.549 17.385 -11.400 162 HA HIS 21 HA HIS 21 11.458 20.040 -10.852 163 HB2 HIS 21 3HB HIS 21 11.219 19.419 -8.575 164 HB3 HIS 21 2HB HIS 21 10.704 18.028 -9.511 165 HD1 HIS 21 1HD HIS 21 13.614 19.224 -7.403 166 HD2 HIS 21 2HD HIS 21 12.032 15.699 -8.936 167 HE1 HIS 21 1HE HIS 21 14.903 17.372 -6.307 168 HE2 HIS 21 2HE HIS 21 13.754 15.261 -7.057 169 H THR 22 HN THR 22 14.333 18.768 -11.609 170 HA THR 22 HA THR 22 16.222 19.802 -9.850 171 HB THR 22 HB THR 22 16.925 20.180 -12.691 172 HG1 THR 22 1HG THR 22 16.828 17.546 -12.328 173 HG21 THR 22 1HG2 THR 22 18.570 20.047 -10.874 174 HG22 THR 22 2HG2 THR 22 18.778 18.731 -12.026 175 HG23 THR 22 3HG2 THR 22 17.998 18.429 -10.475 176 H SER 23 HN SER 23 14.745 21.717 -12.595 177 HA SER 23 HA SER 23 15.440 24.097 -11.065 178 HB2 SER 23 3HB SER 23 16.128 23.701 -13.986 179 HB3 SER 23 2HB SER 23 16.311 25.211 -13.094 180 HG SER 23 HG SER 23 17.844 22.897 -13.022 181 H LEU 24 HN LEU 24 13.238 22.407 -13.053 182 HA LEU 24 HA LEU 24 11.757 24.863 -13.659 183 HB2 LEU 24 3HB LEU 24 11.506 22.087 -14.799 184 HB3 LEU 24 2HB LEU 24 10.404 23.396 -15.176 185 HG LEU 24 HG LEU 24 13.356 23.316 -15.805 186 HD11 LEU 24 1HD1 LEU 24 10.935 23.227 -17.600 187 HD12 LEU 24 2HD1 LEU 24 11.982 21.862 -17.214 188 HD13 LEU 24 3HD1 LEU 24 12.620 23.233 -18.121 189 HD21 LEU 24 1HD2 LEU 24 12.706 25.582 -15.297 190 HD22 LEU 24 2HD2 LEU 24 11.289 25.445 -16.335 191 HD23 LEU 24 3HD2 LEU 24 12.905 25.409 -17.040 192 H GLU 25 HN GLU 25 11.164 21.582 -12.403 193 HA GLU 25 HA GLU 25 9.546 20.737 -11.018 194 HB2 GLU 25 3HB GLU 25 9.355 23.581 -10.008 195 HB3 GLU 25 2HB GLU 25 8.742 22.149 -9.193 196 HG2 GLU 25 3HG GLU 25 11.092 21.298 -9.124 197 HG3 GLU 25 2HG GLU 25 11.609 22.879 -9.706 198 H ASP 26 HN ASP 26 8.140 20.245 -12.716 199 HA ASP 26 HA ASP 26 5.978 22.190 -13.195 200 HB2 ASP 26 3HB ASP 26 7.231 21.476 -15.203 201 HB3 ASP 26 2HB ASP 26 6.830 19.799 -14.854 202 H ASP 27 HN ASP 27 3.814 21.022 -13.696 203 HA ASP 27 HA ASP 27 3.212 19.500 -11.349 204 HB2 ASP 27 3HB ASP 27 1.509 20.515 -13.608 205 HB3 ASP 27 2HB ASP 27 0.857 19.504 -12.323 206 H ASP 28 HN ASP 28 4.285 18.691 -14.367 207 HA ASP 28 HA ASP 28 2.968 16.179 -14.671 208 HB2 ASP 28 3HB ASP 28 3.991 17.183 -16.621 209 HB3 ASP 28 2HB ASP 28 5.565 17.177 -15.831 210 H ASP 29 HN ASP 29 6.236 17.020 -13.717 211 HA ASP 29 HA ASP 29 6.781 14.414 -12.664 212 HB2 ASP 29 3HB ASP 29 8.923 15.271 -12.008 213 HB3 ASP 29 2HB ASP 29 8.546 15.946 -13.587 214 H GLY 30 HN GLY 30 5.352 17.294 -11.488 215 HA2 GLY 30 2HA GLY 30 5.581 16.740 -8.705 216 HA3 GLY 30 1HA GLY 30 4.392 17.796 -9.460 217 H SER 31 HN SER 31 3.268 15.834 -11.213 218 HA SER 31 HA SER 31 1.640 14.378 -9.279 219 HB2 SER 31 3HB SER 31 1.294 14.628 -12.279 220 HB3 SER 31 2HB SER 31 0.112 13.988 -11.139 221 HG SER 31 HG SER 31 1.071 16.652 -11.352 222 H ARG 32 HN ARG 32 4.449 13.682 -10.123 223 HA ARG 32 HA ARG 32 4.642 11.454 -11.719 224 HB2 ARG 32 3HB ARG 32 6.687 10.942 -10.624 225 HB3 ARG 32 2HB ARG 32 6.530 12.690 -10.580 226 HG2 ARG 32 3HG ARG 32 5.627 12.423 -8.228 227 HG3 ARG 32 2HG ARG 32 6.138 10.739 -8.331 228 HD2 ARG 32 3HD ARG 32 8.433 11.476 -8.789 229 HD3 ARG 32 2HD ARG 32 7.913 13.155 -8.641 230 HE ARG 32 HE ARG 32 7.871 11.192 -6.436 231 HH11 ARG 32 1HH1 ARG 32 8.128 14.490 -7.590 232 HH12 ARG 32 2HH1 ARG 32 8.499 15.136 -6.026 233 HH21 ARG 32 1HH2 ARG 32 8.375 12.047 -4.380 234 HH22 ARG 32 2HH2 ARG 32 8.641 13.754 -4.201 235 H GLY 33 HN GLY 33 4.315 9.271 -11.495 236 HA2 GLY 33 2HA GLY 33 3.831 7.306 -10.220 237 HA3 GLY 33 1HA GLY 33 3.129 8.332 -8.972 238 H GLY 34 HN GLY 34 1.364 9.888 -10.229 239 HA2 GLY 34 2HA GLY 34 -0.487 9.987 -11.662 240 HA3 GLY 34 1HA GLY 34 -0.181 8.327 -12.140 241 H ASP 35 HN ASP 35 -0.009 7.868 -9.044 242 HA ASP 35 HA ASP 35 -2.895 7.892 -8.516 243 HB2 ASP 35 3HB ASP 35 -1.100 5.465 -8.366 244 HB3 ASP 35 2HB ASP 35 -2.649 5.553 -7.540 245 H CYS 36 HN CYS 36 -0.690 9.506 -7.489 246 HA CYS 36 HA CYS 36 -0.234 8.492 -4.806 247 HB2 CYS 36 3HB CYS 36 0.584 11.163 -5.965 248 HB3 CYS 36 2HB CYS 36 1.187 10.420 -4.488 249 HG CYS 36 HG CYS 36 2.373 8.245 -5.872 250 H GLU 37 HN GLU 37 -2.351 8.454 -4.042 251 HA GLU 37 HA GLU 37 -3.006 10.760 -2.523 252 HB2 GLU 37 3HB GLU 37 -3.987 11.097 -4.962 253 HB3 GLU 37 2HB GLU 37 -5.235 10.008 -4.380 254 HG2 GLU 37 3HG GLU 37 -4.471 12.556 -2.981 255 HG3 GLU 37 2HG GLU 37 -5.750 12.448 -4.186 256 H GLY 38 HN GLY 38 -2.411 8.636 -1.331 257 HA2 GLY 38 2HA GLY 38 -3.806 7.580 0.447 258 HA3 GLY 38 1HA GLY 38 -4.894 7.094 -0.853 259 H CYS 39 HN CYS 39 -2.589 6.714 -2.615 260 HA CYS 39 HA CYS 39 -1.298 4.371 -1.492 261 HB2 CYS 39 3HB CYS 39 -2.304 4.644 -4.345 262 HB3 CYS 39 2HB CYS 39 -1.501 3.241 -3.648 263 H SER 40 HN SER 40 0.816 4.373 -1.861 264 HA SER 40 HA SER 40 2.841 4.652 -2.849 265 HB2 SER 40 3HB SER 40 3.031 5.368 -5.037 266 HB3 SER 40 2HB SER 40 1.311 4.976 -4.956 267 HG SER 40 HG SER 40 0.788 7.050 -4.963 268 H GLY 41 HN GLY 41 0.965 7.678 -2.764 269 HA2 GLY 41 2HA GLY 41 3.223 8.973 -1.396 270 HA3 GLY 41 1HA GLY 41 1.693 9.749 -1.758 271 H THR 42 HN THR 42 1.505 6.645 -0.281 272 HA THR 42 HA THR 42 1.179 7.898 2.358 273 HB THR 42 HB THR 42 -0.470 5.608 1.262 274 HG1 THR 42 1HG THR 42 -0.742 8.338 1.116 275 HG21 THR 42 1HG2 THR 42 -1.811 5.893 3.283 276 HG22 THR 42 2HG2 THR 42 -0.749 7.192 3.822 277 HG23 THR 42 3HG2 THR 42 -0.134 5.544 3.706 278 H ALA 43 HN ALA 43 2.488 7.067 3.829 279 HA ALA 43 HA ALA 43 4.199 4.855 3.046 280 HB1 ALA 43 1HB ALA 43 5.162 6.907 4.009 281 HB2 ALA 43 2HB ALA 43 5.538 5.484 4.980 282 HB3 ALA 43 3HB ALA 43 4.287 6.607 5.510 283 H CYS 44 HN CYS 44 3.976 2.915 3.610 284 HA CYS 44 HA CYS 44 2.347 2.175 5.940 285 HB2 CYS 44 3HB CYS 44 2.371 -0.067 4.893 286 HB3 CYS 44 2HB CYS 44 1.670 1.162 3.844 287 H SER 45 HN SER 45 3.417 1.579 7.711 288 HA SER 45 HA SER 45 6.062 0.373 7.437 289 HB2 SER 45 3HB SER 45 4.517 0.547 10.033 290 HB3 SER 45 2HB SER 45 6.258 0.489 9.781 291 HG SER 45 HG SER 45 6.010 2.579 8.716 292 H SER 46 HN SER 46 2.728 -0.434 7.761 293 HA SER 46 HA SER 46 3.430 -3.279 8.044 294 HB2 SER 46 3HB SER 46 0.817 -1.915 8.731 295 HB3 SER 46 2HB SER 46 1.205 -3.615 8.995 296 HG SER 46 HG SER 46 2.728 -3.021 10.509 297 H ASP 47 HN ASP 47 2.627 -4.713 6.533 298 HA ASP 47 HA ASP 47 1.675 -3.829 4.055 299 HB2 ASP 47 3HB ASP 47 2.877 -5.939 4.337 300 HB3 ASP 47 2HB ASP 47 1.512 -6.598 5.234 301 H ALA 48 HN ALA 48 -0.145 -5.088 6.856 302 HA ALA 48 HA ALA 48 -2.486 -5.568 5.501 303 HB1 ALA 48 1HB ALA 48 -3.520 -5.756 7.678 304 HB2 ALA 48 2HB ALA 48 -2.136 -4.954 8.420 305 HB3 ALA 48 3HB ALA 48 -1.941 -6.541 7.675 306 H GLN 49 HN GLN 49 -1.105 -2.585 6.425 307 HA GLN 49 HA GLN 49 -3.645 -1.276 6.727 308 HB2 GLN 49 3HB GLN 49 -2.407 0.793 7.054 309 HB3 GLN 49 2HB GLN 49 -1.831 -0.476 8.116 310 HG2 GLN 49 3HG GLN 49 0.080 -0.822 6.589 311 HG3 GLN 49 2HG GLN 49 -0.493 0.539 5.626 312 HE21 GLN 49 1HE2 GLN 49 -1.389 2.074 7.906 313 HE22 GLN 49 2HE2 GLN 49 0.038 2.655 8.700 314 H CYS 50 HN CYS 50 -1.306 -1.789 4.152 315 HA CYS 50 HA CYS 50 -2.612 0.126 2.422 316 HB2 CYS 50 3HB CYS 50 -0.853 -2.188 1.618 317 HB3 CYS 50 2HB CYS 50 -1.367 -0.876 0.583 318 H ARG 51 HN ARG 51 -2.769 -3.276 3.151 319 HA ARG 51 HA ARG 51 -4.756 -4.095 1.398 320 HB2 ARG 51 3HB ARG 51 -4.572 -4.893 4.318 321 HB3 ARG 51 2HB ARG 51 -5.367 -5.778 3.041 322 HG2 ARG 51 3HG ARG 51 -2.423 -5.423 3.480 323 HG3 ARG 51 2HG ARG 51 -3.365 -6.908 3.498 324 HD2 ARG 51 3HD ARG 51 -3.758 -6.758 1.141 325 HD3 ARG 51 2HD ARG 51 -2.988 -5.167 1.078 326 HE ARG 51 HE ARG 51 -0.956 -6.539 1.971 327 HH11 ARG 51 1HH1 ARG 51 -3.314 -7.669 -0.357 328 HH12 ARG 51 2HH1 ARG 51 -2.185 -8.680 -1.195 329 HH21 ARG 51 1HH2 ARG 51 0.527 -7.837 0.872 330 HH22 ARG 51 2HH2 ARG 51 0.017 -8.770 -0.501 331 H ALA 52 HN ALA 52 -4.969 -2.545 4.577 332 HA ALA 52 HA ALA 52 -7.802 -2.275 4.567 333 HB1 ALA 52 1HB ALA 52 -5.764 -0.693 6.128 334 HB2 ALA 52 2HB ALA 52 -6.456 -2.236 6.624 335 HB3 ALA 52 3HB ALA 52 -7.486 -0.815 6.477 336 H ARG 53 HN ARG 53 -5.185 -0.427 3.232 337 HA ARG 53 HA ARG 53 -6.698 1.961 2.819 338 HB2 ARG 53 3HB ARG 53 -4.128 1.058 1.553 339 HB3 ARG 53 2HB ARG 53 -4.886 2.605 1.212 340 HG2 ARG 53 3HG ARG 53 -3.922 1.715 3.917 341 HG3 ARG 53 2HG ARG 53 -3.063 2.799 2.822 342 HD2 ARG 53 3HD ARG 53 -4.963 4.363 2.927 343 HD3 ARG 53 2HD ARG 53 -5.759 3.292 4.078 344 HE ARG 53 HE ARG 53 -3.172 3.964 5.000 345 HH11 ARG 53 1HH1 ARG 53 -6.369 5.319 4.588 346 HH12 ARG 53 2HH1 ARG 53 -6.196 6.458 5.886 347 HH21 ARG 53 1HH2 ARG 53 -2.929 5.478 6.705 348 HH22 ARG 53 2HH2 ARG 53 -4.239 6.553 7.084 349 H GLY 54 HN GLY 54 -6.804 -1.033 1.401 350 HA2 GLY 54 2HA GLY 54 -7.931 -1.810 -0.457 351 HA3 GLY 54 1HA GLY 54 -8.476 -0.161 -0.760 352 H CYS 55 HN CYS 55 -5.317 0.109 -0.301 353 HA CYS 55 HA CYS 55 -4.698 0.691 -2.969 354 HB2 CYS 55 3HB CYS 55 -2.916 0.334 -0.559 355 HB3 CYS 55 2HB CYS 55 -2.278 0.741 -2.151 356 H ASP 56 HN ASP 56 -2.892 -1.897 -1.201 357 HA ASP 56 HA ASP 56 -3.733 -4.053 -2.664 358 HB2 ASP 56 3HB ASP 56 -2.891 -2.901 -4.689 359 HB3 ASP 56 2HB ASP 56 -1.289 -2.796 -3.961 360 H GLY 57 HN GLY 57 -0.535 -2.598 -1.869 361 HA2 GLY 57 2HA GLY 57 -0.261 -4.414 0.347 362 HA3 GLY 57 1HA GLY 57 0.767 -4.832 -1.018 363 H CYS 58 HN CYS 58 1.820 -4.165 1.423 364 HA CYS 58 HA CYS 58 2.767 -1.418 1.163 365 HB2 CYS 58 3HB CYS 58 2.258 -2.272 3.400 366 HB3 CYS 58 2HB CYS 58 3.466 -3.542 3.201 367 H SER 59 HN SER 59 4.606 -0.876 0.133 368 HA SER 59 HA SER 59 6.279 -3.039 -0.859 369 HB2 SER 59 3HB SER 59 5.644 -1.174 -2.365 370 HB3 SER 59 2HB SER 59 6.477 -0.043 -1.299 371 HG SER 59 HG SER 59 7.483 -1.605 -3.253 372 H THR 60 HN THR 60 8.561 -3.254 -0.283 373 HA THR 60 HA THR 60 9.157 -2.652 2.393 374 HB THR 60 HB THR 60 11.593 -3.147 1.575 375 HG1 THR 60 1HG THR 60 11.047 -2.831 -0.667 376 HG21 THR 60 1HG2 THR 60 11.080 -5.553 1.603 377 HG22 THR 60 2HG2 THR 60 9.367 -5.191 1.423 378 HG23 THR 60 3HG2 THR 60 10.225 -4.691 2.878 379 H SER 61 HN SER 61 8.963 -0.250 0.137 380 HA SER 61 HA SER 61 11.175 1.255 1.275 381 HB2 SER 61 3HB SER 61 10.973 1.226 -1.200 382 HB3 SER 61 2HB SER 61 9.373 1.952 -1.060 383 HG SER 61 HG SER 61 10.493 3.706 0.088 384 H GLY 62 HN GLY 62 8.249 0.550 2.266 385 HA2 GLY 62 2HA GLY 62 6.829 1.555 3.751 386 HA3 GLY 62 1HA GLY 62 7.923 2.928 3.784 387 H VAL 63 HN VAL 63 6.077 1.536 1.077 388 HA VAL 63 HA VAL 63 4.429 3.960 1.031 389 HB VAL 63 HB VAL 63 4.582 4.078 -1.448 390 HG11 VAL 63 1HG1 VAL 63 7.201 4.404 0.008 391 HG12 VAL 63 2HG1 VAL 63 5.907 5.596 -0.101 392 HG13 VAL 63 3HG1 VAL 63 6.799 5.129 -1.548 393 HG21 VAL 63 1HG2 VAL 63 6.885 2.164 -1.145 394 HG22 VAL 63 2HG2 VAL 63 6.364 2.949 -2.634 395 HG23 VAL 63 3HG2 VAL 63 5.318 1.766 -1.847 396 H CYS 64 HN CYS 64 2.436 3.688 -0.226 397 HA CYS 64 HA CYS 64 1.491 0.904 0.225 398 HB2 CYS 64 3HB CYS 64 0.267 3.534 0.810 399 HB3 CYS 64 2HB CYS 64 -0.818 2.443 -0.012 400 H VAL 65 HN VAL 65 1.374 -0.205 -1.649 401 HA VAL 65 HA VAL 65 0.461 1.131 -4.094 402 HB VAL 65 HB VAL 65 2.522 0.678 -5.330 403 HG11 VAL 65 1HG1 VAL 65 3.076 2.129 -2.777 404 HG12 VAL 65 2HG1 VAL 65 2.367 2.815 -4.238 405 HG13 VAL 65 3HG1 VAL 65 4.036 2.241 -4.253 406 HG21 VAL 65 1HG2 VAL 65 4.542 -0.128 -4.211 407 HG22 VAL 65 2HG2 VAL 65 3.246 -1.322 -4.133 408 HG23 VAL 65 3HG2 VAL 65 3.628 -0.341 -2.718 409 H LEU 66 HN LEU 66 0.836 -0.539 -6.028 410 HA LEU 66 HA LEU 66 0.116 -3.196 -5.338 411 HB2 LEU 66 3HB LEU 66 -0.281 -2.150 -7.560 412 HB3 LEU 66 2HB LEU 66 1.448 -2.118 -7.837 413 HG LEU 66 HG LEU 66 0.292 -4.778 -7.250 414 HD11 LEU 66 1HD1 LEU 66 -1.452 -3.839 -8.659 415 HD12 LEU 66 2HD1 LEU 66 -0.519 -5.041 -9.551 416 HD13 LEU 66 3HD1 LEU 66 -0.245 -3.322 -9.836 417 HD21 LEU 66 1HD2 LEU 66 1.838 -5.431 -9.031 418 HD22 LEU 66 2HD2 LEU 66 2.654 -4.478 -7.793 419 HD23 LEU 66 3HD2 LEU 66 2.214 -3.734 -9.329 420 H SER 67 HN SER 67 1.549 -3.783 -3.720 421 HA SER 67 HA SER 67 4.335 -3.324 -3.720 422 HB2 SER 67 3HB SER 67 3.134 -3.846 -1.623 423 HB3 SER 67 2HB SER 67 2.903 -5.516 -2.171 424 HG SER 67 HG SER 67 4.921 -4.589 -0.839 425 H SER 68 HN SER 68 5.547 -4.169 -5.532 426 HA SER 68 HA SER 68 6.918 -5.658 -6.471 427 HB2 SER 68 3HB SER 68 6.187 -7.419 -4.130 428 HB3 SER 68 2HB SER 68 7.620 -7.571 -5.149 429 HG SER 68 HG SER 68 8.025 -5.291 -4.448 430 H LEU 69 HN LEU 69 5.101 -8.391 -5.222 431 HA LEU 69 HA LEU 69 4.969 -9.326 -7.972 432 HB2 LEU 69 3HB LEU 69 6.002 -10.716 -6.202 433 HB3 LEU 69 2HB LEU 69 4.447 -10.819 -5.405 434 HG LEU 69 HG LEU 69 3.532 -11.992 -7.382 435 HD11 LEU 69 1HD1 LEU 69 5.079 -12.857 -9.077 436 HD12 LEU 69 2HD1 LEU 69 6.383 -11.910 -8.360 437 HD13 LEU 69 3HD1 LEU 69 5.002 -11.095 -9.093 438 HD21 LEU 69 1HD2 LEU 69 4.707 -14.108 -7.005 439 HD22 LEU 69 2HD2 LEU 69 4.383 -13.263 -5.490 440 HD23 LEU 69 3HD2 LEU 69 6.004 -13.238 -6.185 441 H HIS 70 HN HIS 70 3.204 -7.888 -8.503 442 HA HIS 70 HA HIS 70 0.724 -9.360 -8.400 443 HB2 HIS 70 3HB HIS 70 1.061 -6.755 -6.994 444 HB3 HIS 70 2HB HIS 70 -0.407 -6.964 -7.940 445 HD1 HIS 70 1HD HIS 70 -0.521 -6.664 -4.878 446 HD2 HIS 70 2HD HIS 70 -0.438 -10.309 -6.888 447 HE1 HIS 70 1HE HIS 70 -1.517 -8.345 -3.292 448 HE2 HIS 70 2HE HIS 70 -1.286 -10.565 -4.463 449 H HIS 71 HN HIS 71 -0.858 -8.422 -9.971 450 HA HIS 71 HA HIS 71 0.629 -7.119 -12.155 451 HB2 HIS 71 3HB HIS 71 -0.147 -9.506 -12.518 452 HB3 HIS 71 2HB HIS 71 -1.793 -8.886 -12.487 453 HD1 HIS 71 1HD HIS 71 1.217 -9.137 -14.624 454 HD2 HIS 71 2HD HIS 71 -2.492 -7.267 -14.730 455 HE1 HIS 71 1HE HIS 71 0.910 -8.377 -16.997 456 HE2 HIS 71 2HE HIS 71 -1.259 -7.102 -16.997 457 H HIS 72 HN HIS 72 -2.459 -7.281 -10.457 458 HA HIS 72 HA HIS 72 -2.981 -4.530 -10.909 459 HB2 HIS 72 3HB HIS 72 -5.015 -4.718 -12.266 460 HB3 HIS 72 2HB HIS 72 -3.619 -5.319 -13.144 461 HD1 HIS 72 1HD HIS 72 -6.826 -6.040 -13.378 462 HD2 HIS 72 2HD HIS 72 -3.720 -8.443 -12.025 463 HE1 HIS 72 1HE HIS 72 -7.607 -8.406 -13.707 464 HE2 HIS 72 2HE HIS 72 -5.767 -9.837 -12.765 465 H HIS 73 HN HIS 73 -4.473 -3.750 -9.477 466 HA HIS 73 HA HIS 73 -5.382 -5.671 -7.487 467 HB2 HIS 73 3HB HIS 73 -4.222 -3.509 -6.871 468 HB3 HIS 73 2HB HIS 73 -5.665 -2.660 -7.416 469 HD1 HIS 73 1HD HIS 73 -4.434 -4.955 -4.708 470 HD2 HIS 73 2HD HIS 73 -7.800 -2.689 -5.631 471 HE1 HIS 73 1HE HIS 73 -5.869 -4.988 -2.640 472 HE2 HIS 73 2HE HIS 73 -7.816 -3.482 -3.169 473 H HIS 74 HN HIS 74 -6.852 -6.488 -9.271 474 HA HIS 74 HA HIS 74 -9.520 -5.728 -8.690 475 HB2 HIS 74 3HB HIS 74 -8.721 -3.913 -10.335 476 HB3 HIS 74 2HB HIS 74 -8.705 -5.188 -11.545 477 HD1 HIS 74 1HD HIS 74 -10.873 -5.656 -12.702 478 HD2 HIS 74 2HD HIS 74 -11.373 -3.425 -9.232 479 HE1 HIS 74 1HE HIS 74 -13.293 -4.977 -12.679 480 HE2 HIS 74 2HE HIS 74 -13.526 -3.484 -10.664 481 H HIS 75 HN HIS 75 -10.989 -7.300 -9.477 482 HA HIS 75 HA HIS 75 -9.798 -9.429 -11.099 483 HB2 HIS 75 3HB HIS 75 -11.090 -11.105 -9.699 484 HB3 HIS 75 2HB HIS 75 -9.687 -10.378 -8.931 485 HD1 HIS 75 1HD HIS 75 -13.438 -10.397 -8.803 486 HD2 HIS 75 2HD HIS 75 -10.220 -8.913 -6.637 487 HE1 HIS 75 1HE HIS 75 -14.405 -9.597 -6.624 488 HE2 HIS 75 2HE HIS 75 -12.424 -8.819 -5.281 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -16.401 -1.016 -25.964 2 H2 MET 1 2HT MET 1 -16.070 0.597 -25.583 3 H3 MET 1 3HT MET 1 -17.664 0.036 -25.576 4 HA MET 1 HA MET 1 -17.238 -1.386 -23.727 5 HB2 MET 1 3HB MET 1 -14.442 -0.238 -23.830 6 HB3 MET 1 2HB MET 1 -15.060 -1.296 -22.573 7 HG2 MET 1 3HG MET 1 -15.376 -3.063 -24.262 8 HG3 MET 1 2HG MET 1 -14.660 -2.000 -25.470 9 HE1 MET 1 1HE MET 1 -12.159 -1.009 -25.207 10 HE2 MET 1 2HE MET 1 -11.021 -1.552 -23.976 11 HE3 MET 1 3HE MET 1 -12.414 -0.574 -23.518 12 H CYS 2 HN CYS 2 -18.799 0.572 -23.695 13 HA CYS 2 HA CYS 2 -17.947 2.967 -22.435 14 HB2 CYS 2 3HB CYS 2 -20.706 1.737 -22.620 15 HB3 CYS 2 2HB CYS 2 -20.366 3.383 -22.100 16 HG CYS 2 HG CYS 2 -19.903 2.090 -25.236 17 H GLU 3 HN GLU 3 -17.280 3.168 -20.424 18 HA GLU 3 HA GLU 3 -16.906 2.819 -18.221 19 HB2 GLU 3 3HB GLU 3 -19.771 1.887 -18.339 20 HB3 GLU 3 2HB GLU 3 -18.873 2.069 -16.840 21 HG2 GLU 3 3HG GLU 3 -18.509 4.466 -17.454 22 HG3 GLU 3 2HG GLU 3 -19.622 4.218 -18.798 23 H PHE 4 HN PHE 4 -15.388 1.157 -19.066 24 HA PHE 4 HA PHE 4 -16.229 -1.563 -18.209 25 HB2 PHE 4 3HB PHE 4 -15.832 -1.245 -20.684 26 HB3 PHE 4 2HB PHE 4 -14.150 -0.895 -20.314 27 HD1 PHE 4 1HD PHE 4 -12.647 -2.621 -20.494 28 HD2 PHE 4 2HD PHE 4 -16.713 -3.516 -19.611 29 HE1 PHE 4 1HE PHE 4 -12.134 -5.024 -20.583 30 HE2 PHE 4 2HE PHE 4 -16.207 -5.922 -19.699 31 HZ PHE 4 HZ PHE 4 -13.913 -6.677 -20.185 32 H ILE 5 HN ILE 5 -14.986 0.634 -16.656 33 HA ILE 5 HA ILE 5 -12.832 -0.841 -15.494 34 HB ILE 5 HB ILE 5 -11.173 1.130 -15.583 35 HG12 ILE 5 3HG1 ILE 5 -12.736 1.711 -18.120 36 HG13 ILE 5 2HG1 ILE 5 -12.647 2.769 -16.718 37 HG21 ILE 5 1HG2 ILE 5 -11.619 -0.603 -17.999 38 HG22 ILE 5 2HG2 ILE 5 -10.716 -1.027 -16.545 39 HG23 ILE 5 3HG2 ILE 5 -10.127 0.251 -17.607 40 HD11 ILE 5 1HD1 ILE 5 -11.183 3.523 -18.488 41 HD12 ILE 5 2HD1 ILE 5 -10.349 1.970 -18.478 42 HD13 ILE 5 3HD1 ILE 5 -10.252 3.032 -17.074 43 H GLU 6 HN GLU 6 -13.459 2.651 -15.424 44 HA GLU 6 HA GLU 6 -15.152 2.771 -13.284 45 HB2 GLU 6 3HB GLU 6 -13.241 1.704 -12.014 46 HB3 GLU 6 2HB GLU 6 -12.332 3.185 -12.293 47 HG2 GLU 6 3HG GLU 6 -14.145 4.441 -11.155 48 HG3 GLU 6 2HG GLU 6 -14.902 2.900 -10.760 49 H ASP 7 HN ASP 7 -12.189 4.224 -14.460 50 HA ASP 7 HA ASP 7 -13.379 6.897 -14.211 51 HB2 ASP 7 3HB ASP 7 -11.025 6.251 -13.300 52 HB3 ASP 7 2HB ASP 7 -10.521 6.339 -14.982 53 H SER 8 HN SER 8 -14.106 4.929 -16.249 54 HA SER 8 HA SER 8 -12.704 5.296 -18.657 55 HB2 SER 8 3HB SER 8 -14.239 3.380 -18.106 56 HB3 SER 8 2HB SER 8 -15.598 4.469 -18.376 57 HG SER 8 HG SER 8 -15.096 4.596 -20.502 58 H GLU 9 HN GLU 9 -15.377 7.044 -17.213 59 HA GLU 9 HA GLU 9 -16.278 8.386 -19.510 60 HB2 GLU 9 3HB GLU 9 -17.468 8.256 -17.301 61 HB3 GLU 9 2HB GLU 9 -16.324 9.432 -16.675 62 HG2 GLU 9 3HG GLU 9 -18.399 10.505 -17.291 63 HG3 GLU 9 2HG GLU 9 -17.086 11.058 -18.328 64 H ASP 10 HN ASP 10 -13.769 9.180 -17.149 65 HA ASP 10 HA ASP 10 -13.226 11.726 -18.391 66 HB2 ASP 10 3HB ASP 10 -12.979 11.408 -15.952 67 HB3 ASP 10 2HB ASP 10 -11.679 10.258 -16.249 68 H ILE 11 HN ILE 11 -11.773 8.531 -18.272 69 HA ILE 11 HA ILE 11 -9.367 9.189 -19.594 70 HB ILE 11 HB ILE 11 -10.795 6.550 -19.287 71 HG12 ILE 11 3HG1 ILE 11 -8.376 7.734 -17.906 72 HG13 ILE 11 2HG1 ILE 11 -9.985 7.591 -17.208 73 HG21 ILE 11 1HG2 ILE 11 -8.018 7.071 -20.331 74 HG22 ILE 11 2HG2 ILE 11 -9.385 6.470 -21.268 75 HG23 ILE 11 3HG2 ILE 11 -8.701 5.486 -19.973 76 HD11 ILE 11 1HD1 ILE 11 -9.814 5.160 -17.323 77 HD12 ILE 11 2HD1 ILE 11 -8.505 5.862 -16.375 78 HD13 ILE 11 3HD1 ILE 11 -8.202 5.308 -18.020 79 H GLN 12 HN GLN 12 -12.513 8.109 -20.812 80 HA GLN 12 HA GLN 12 -11.524 7.849 -23.515 81 HB2 GLN 12 3HB GLN 12 -14.281 7.672 -22.313 82 HB3 GLN 12 2HB GLN 12 -13.980 7.523 -24.041 83 HG2 GLN 12 3HG GLN 12 -12.745 5.779 -21.931 84 HG3 GLN 12 2HG GLN 12 -14.167 5.358 -22.884 85 HE21 GLN 12 1HE2 GLN 12 -11.536 4.058 -22.734 86 HE22 GLN 12 2HE2 GLN 12 -10.930 4.034 -24.351 87 H GLY 13 HN GLY 13 -12.340 10.416 -21.612 88 HA2 GLY 13 2HA GLY 13 -12.932 12.056 -23.999 89 HA3 GLY 13 1HA GLY 13 -13.657 12.379 -22.430 90 H LEU 14 HN LEU 14 -10.316 11.384 -22.731 91 HA LEU 14 HA LEU 14 -9.507 13.594 -21.164 92 HB2 LEU 14 3HB LEU 14 -7.192 12.764 -21.541 93 HB3 LEU 14 2HB LEU 14 -8.300 11.595 -20.863 94 HG LEU 14 HG LEU 14 -8.529 10.651 -23.221 95 HD11 LEU 14 1HD1 LEU 14 -7.599 12.551 -24.447 96 HD12 LEU 14 2HD1 LEU 14 -6.683 11.074 -24.752 97 HD13 LEU 14 3HD1 LEU 14 -6.042 12.298 -23.655 98 HD21 LEU 14 1HD2 LEU 14 -6.437 9.384 -23.013 99 HD22 LEU 14 2HD2 LEU 14 -7.288 9.533 -21.475 100 HD23 LEU 14 3HD2 LEU 14 -5.875 10.537 -21.805 101 H LYS 15 HN LYS 15 -9.898 13.272 -24.538 102 HA LYS 15 HA LYS 15 -7.990 15.314 -25.195 103 HB2 LYS 15 3HB LYS 15 -9.046 15.261 -27.462 104 HB3 LYS 15 2HB LYS 15 -8.408 13.726 -26.908 105 HG2 LYS 15 3HG LYS 15 -10.434 13.253 -27.995 106 HG3 LYS 15 2HG LYS 15 -10.775 13.107 -26.277 107 HD2 LYS 15 3HD LYS 15 -11.852 15.258 -26.253 108 HD3 LYS 15 2HD LYS 15 -11.356 15.569 -27.918 109 HE2 LYS 15 3HE LYS 15 -12.748 13.738 -28.696 110 HE3 LYS 15 2HE LYS 15 -13.201 13.354 -27.038 111 HZ1 LYS 15 1HZ LYS 15 -14.894 14.656 -28.225 112 HZ2 LYS 15 2HZ LYS 15 -13.794 15.928 -28.390 113 HZ3 LYS 15 3HZ LYS 15 -14.316 15.455 -26.852 114 H SER 16 HN SER 16 -10.843 15.475 -23.597 115 HA SER 16 HA SER 16 -11.200 18.269 -24.405 116 HB2 SER 16 3HB SER 16 -13.038 16.877 -25.343 117 HB3 SER 16 2HB SER 16 -13.461 16.386 -23.705 118 HG SER 16 HG SER 16 -13.312 19.120 -24.367 119 H LEU 17 HN LEU 17 -11.584 15.828 -21.898 120 HA LEU 17 HA LEU 17 -12.188 17.757 -19.864 121 HB2 LEU 17 3HB LEU 17 -11.487 14.833 -19.702 122 HB3 LEU 17 2HB LEU 17 -11.961 15.807 -18.323 123 HG LEU 17 HG LEU 17 -13.702 15.315 -20.739 124 HD11 LEU 17 1HD1 LEU 17 -13.370 13.249 -19.546 125 HD12 LEU 17 2HD1 LEU 17 -14.995 13.859 -19.235 126 HD13 LEU 17 3HD1 LEU 17 -13.737 14.038 -18.013 127 HD21 LEU 17 1HD2 LEU 17 -15.477 16.225 -19.312 128 HD22 LEU 17 2HD2 LEU 17 -14.205 17.406 -19.618 129 HD23 LEU 17 3HD2 LEU 17 -14.282 16.575 -18.064 130 H ARG 18 HN ARG 18 -9.359 16.481 -21.239 131 HA ARG 18 HA ARG 18 -7.203 17.128 -21.099 132 HB2 ARG 18 3HB ARG 18 -8.361 19.358 -21.032 133 HB3 ARG 18 2HB ARG 18 -8.178 19.328 -19.286 134 HG2 ARG 18 3HG ARG 18 -5.801 19.387 -19.464 135 HG3 ARG 18 2HG ARG 18 -5.878 19.163 -21.213 136 HD2 ARG 18 3HD ARG 18 -7.030 21.522 -19.736 137 HD3 ARG 18 2HD ARG 18 -5.451 21.514 -20.519 138 HE ARG 18 HE ARG 18 -6.887 20.885 -22.588 139 HH11 ARG 18 1HH1 ARG 18 -7.736 23.165 -20.068 140 HH12 ARG 18 2HH1 ARG 18 -8.756 24.119 -21.095 141 HH21 ARG 18 1HH2 ARG 18 -8.218 22.142 -23.947 142 HH22 ARG 18 2HH2 ARG 18 -9.023 23.540 -23.308 143 H LYS 19 HN LYS 19 -8.581 15.529 -18.794 144 HA LYS 19 HA LYS 19 -7.892 14.383 -16.953 145 HB2 LYS 19 3HB LYS 19 -6.002 14.002 -18.653 146 HB3 LYS 19 2HB LYS 19 -5.085 15.170 -17.718 147 HG2 LYS 19 3HG LYS 19 -4.438 12.996 -17.021 148 HG3 LYS 19 2HG LYS 19 -5.387 13.718 -15.724 149 HD2 LYS 19 3HD LYS 19 -6.055 11.421 -16.009 150 HD3 LYS 19 2HD LYS 19 -7.367 12.474 -16.535 151 HE2 LYS 19 3HE LYS 19 -7.083 10.626 -18.089 152 HE3 LYS 19 2HE LYS 19 -6.678 12.152 -18.869 153 HZ1 LYS 19 1HZ LYS 19 -5.088 10.369 -19.371 154 HZ2 LYS 19 2HZ LYS 19 -4.695 10.260 -17.730 155 HZ3 LYS 19 3HZ LYS 19 -4.351 11.673 -18.588 156 H SER 20 HN SER 20 -8.769 16.836 -16.258 157 HA SER 20 HA SER 20 -6.723 18.356 -14.884 158 HB2 SER 20 3HB SER 20 -9.712 18.851 -14.904 159 HB3 SER 20 2HB SER 20 -8.434 19.998 -14.506 160 HG SER 20 HG SER 20 -7.677 19.605 -16.731 161 H HIS 21 HN HIS 21 -9.260 16.059 -14.027 162 HA HIS 21 HA HIS 21 -9.597 16.848 -11.369 163 HB2 HIS 21 3HB HIS 21 -10.633 14.704 -10.956 164 HB3 HIS 21 2HB HIS 21 -11.141 15.304 -12.526 165 HD1 HIS 21 1HD HIS 21 -9.325 12.517 -10.871 166 HD2 HIS 21 2HD HIS 21 -10.158 13.830 -14.730 167 HE1 HIS 21 1HE HIS 21 -8.810 10.576 -12.380 168 HE2 HIS 21 2HE HIS 21 -9.505 11.330 -14.680 169 H THR 22 HN THR 22 -7.258 14.608 -12.816 170 HA THR 22 HA THR 22 -6.177 13.667 -10.348 171 HB THR 22 HB THR 22 -4.102 13.412 -12.086 172 HG1 THR 22 1HG THR 22 -4.772 13.880 -14.028 173 HG21 THR 22 1HG2 THR 22 -6.584 11.688 -11.956 174 HG22 THR 22 2HG2 THR 22 -5.198 11.592 -10.872 175 HG23 THR 22 3HG2 THR 22 -5.014 11.182 -12.577 176 H SER 23 HN SER 23 -6.174 16.830 -10.947 177 HA SER 23 HA SER 23 -3.500 17.176 -9.811 178 HB2 SER 23 3HB SER 23 -4.866 19.051 -11.764 179 HB3 SER 23 2HB SER 23 -3.274 19.283 -11.036 180 HG SER 23 HG SER 23 -2.945 17.032 -12.053 181 H LEU 24 HN LEU 24 -6.858 17.729 -9.686 182 HA LEU 24 HA LEU 24 -6.568 19.727 -7.565 183 HB2 LEU 24 3HB LEU 24 -9.039 18.718 -8.979 184 HB3 LEU 24 2HB LEU 24 -9.033 19.927 -7.708 185 HG LEU 24 HG LEU 24 -7.755 20.220 -10.430 186 HD11 LEU 24 1HD1 LEU 24 -10.179 20.295 -10.523 187 HD12 LEU 24 2HD1 LEU 24 -9.502 21.902 -10.788 188 HD13 LEU 24 3HD1 LEU 24 -10.210 21.489 -9.227 189 HD21 LEU 24 1HD2 LEU 24 -6.492 21.428 -8.741 190 HD22 LEU 24 2HD2 LEU 24 -7.973 22.171 -8.138 191 HD23 LEU 24 3HD2 LEU 24 -7.390 22.556 -9.757 192 H GLU 25 HN GLU 25 -6.484 16.538 -7.888 193 HA GLU 25 HA GLU 25 -6.394 14.846 -6.366 194 HB2 GLU 25 3HB GLU 25 -5.546 16.531 -4.787 195 HB3 GLU 25 2HB GLU 25 -7.195 16.940 -4.340 196 HG2 GLU 25 3HG GLU 25 -7.534 14.711 -3.454 197 HG3 GLU 25 2HG GLU 25 -5.909 14.248 -3.955 198 H ASP 26 HN ASP 26 -8.023 13.635 -7.209 199 HA ASP 26 HA ASP 26 -10.579 13.819 -5.754 200 HB2 ASP 26 3HB ASP 26 -11.629 12.571 -7.545 201 HB3 ASP 26 2HB ASP 26 -10.819 13.974 -8.217 202 H ASP 27 HN ASP 27 -11.507 11.818 -5.042 203 HA ASP 27 HA ASP 27 -9.368 10.171 -3.947 204 HB2 ASP 27 3HB ASP 27 -11.097 11.244 -2.470 205 HB3 ASP 27 2HB ASP 27 -12.285 10.153 -3.173 206 H ASP 28 HN ASP 28 -11.199 9.998 -6.594 207 HA ASP 28 HA ASP 28 -11.791 7.156 -6.490 208 HB2 ASP 28 3HB ASP 28 -12.044 9.107 -8.787 209 HB3 ASP 28 2HB ASP 28 -12.621 7.442 -8.790 210 H ASP 29 HN ASP 29 -9.633 9.384 -7.963 211 HA ASP 29 HA ASP 29 -7.585 9.222 -8.875 212 HB2 ASP 29 3HB ASP 29 -6.797 7.608 -7.349 213 HB3 ASP 29 2HB ASP 29 -7.816 6.343 -8.031 214 H GLY 30 HN GLY 30 -7.178 9.358 -11.057 215 HA2 GLY 30 2HA GLY 30 -9.049 8.144 -12.877 216 HA3 GLY 30 1HA GLY 30 -7.765 9.267 -13.289 217 H SER 31 HN SER 31 -6.330 6.950 -11.467 218 HA SER 31 HA SER 31 -5.224 5.669 -13.820 219 HB2 SER 31 3HB SER 31 -4.504 5.023 -10.963 220 HB3 SER 31 2HB SER 31 -3.493 4.911 -12.404 221 HG SER 31 HG SER 31 -4.225 7.162 -10.889 222 H ARG 32 HN ARG 32 -8.021 5.179 -12.900 223 HA ARG 32 HA ARG 32 -7.946 2.412 -11.982 224 HB2 ARG 32 3HB ARG 32 -10.298 4.232 -12.524 225 HB3 ARG 32 2HB ARG 32 -10.404 2.611 -11.857 226 HG2 ARG 32 3HG ARG 32 -9.110 5.004 -10.567 227 HG3 ARG 32 2HG ARG 32 -10.622 4.229 -10.098 228 HD2 ARG 32 3HD ARG 32 -9.447 2.218 -9.482 229 HD3 ARG 32 2HD ARG 32 -7.926 2.887 -10.070 230 HE ARG 32 HE ARG 32 -8.839 4.667 -8.184 231 HH11 ARG 32 1HH1 ARG 32 -8.005 1.267 -8.261 232 HH12 ARG 32 2HH1 ARG 32 -7.460 1.228 -6.613 233 HH21 ARG 32 1HH2 ARG 32 -8.108 4.623 -6.009 234 HH22 ARG 32 2HH2 ARG 32 -7.538 3.129 -5.334 235 H GLY 33 HN GLY 33 -7.339 1.132 -13.656 236 HA2 GLY 33 2HA GLY 33 -8.855 0.015 -15.477 237 HA3 GLY 33 1HA GLY 33 -8.565 1.553 -16.276 238 H GLY 34 HN GLY 34 -6.390 -0.491 -14.341 239 HA2 GLY 34 2HA GLY 34 -4.868 -2.018 -15.525 240 HA3 GLY 34 1HA GLY 34 -4.738 -0.791 -16.773 241 H ASP 35 HN ASP 35 -4.778 0.926 -14.009 242 HA ASP 35 HA ASP 35 -1.877 0.675 -13.599 243 HB2 ASP 35 3HB ASP 35 -2.721 2.670 -15.058 244 HB3 ASP 35 2HB ASP 35 -3.239 3.362 -13.526 245 H CYS 36 HN CYS 36 -1.242 1.935 -11.492 246 HA CYS 36 HA CYS 36 -3.360 1.779 -9.489 247 HB2 CYS 36 3HB CYS 36 -0.749 0.274 -9.224 248 HB3 CYS 36 2HB CYS 36 -2.018 0.364 -8.009 249 HG CYS 36 HG CYS 36 -3.673 -0.729 -10.429 250 H GLU 37 HN GLU 37 -3.202 3.998 -9.169 251 HA GLU 37 HA GLU 37 -0.810 4.846 -7.700 252 HB2 GLU 37 3HB GLU 37 -2.086 6.298 -10.001 253 HB3 GLU 37 2HB GLU 37 -1.132 7.142 -8.791 254 HG2 GLU 37 3HG GLU 37 0.717 5.472 -9.350 255 HG3 GLU 37 2HG GLU 37 -0.247 5.091 -10.780 256 H GLY 38 HN GLY 38 -3.046 4.032 -6.410 257 HA2 GLY 38 2HA GLY 38 -4.794 6.295 -5.921 258 HA3 GLY 38 1HA GLY 38 -4.883 4.729 -5.126 259 H CYS 39 HN CYS 39 -3.261 4.273 -3.457 260 HA CYS 39 HA CYS 39 -3.071 6.467 -1.661 261 HB2 CYS 39 3HB CYS 39 -1.804 3.762 -1.366 262 HB3 CYS 39 2HB CYS 39 -2.444 4.810 -0.102 263 H SER 40 HN SER 40 -0.437 4.188 -2.400 264 HA SER 40 HA SER 40 1.702 4.354 -2.965 265 HB2 SER 40 3HB SER 40 2.323 5.995 -4.689 266 HB3 SER 40 2HB SER 40 0.824 5.148 -5.031 267 HG SER 40 HG SER 40 0.608 7.355 -5.476 268 H GLY 41 HN GLY 41 1.123 7.808 -2.728 269 HA2 GLY 41 2HA GLY 41 3.522 8.356 -1.277 270 HA3 GLY 41 1HA GLY 41 2.141 9.449 -1.313 271 H THR 42 HN THR 42 0.771 6.738 -0.173 272 HA THR 42 HA THR 42 1.046 7.669 2.573 273 HB THR 42 HB THR 42 -0.723 5.997 3.086 274 HG1 THR 42 1HG THR 42 -0.823 4.433 1.667 275 HG21 THR 42 1HG2 THR 42 -1.364 8.272 2.515 276 HG22 THR 42 2HG2 THR 42 -2.538 7.127 1.867 277 HG23 THR 42 3HG2 THR 42 -1.345 7.865 0.799 278 H ALA 43 HN ALA 43 2.713 6.946 3.701 279 HA ALA 43 HA ALA 43 3.996 4.423 3.029 280 HB1 ALA 43 1HB ALA 43 4.696 6.401 5.205 281 HB2 ALA 43 2HB ALA 43 5.309 6.465 3.554 282 HB3 ALA 43 3HB ALA 43 5.708 5.094 4.589 283 H CYS 44 HN CYS 44 3.622 2.622 3.908 284 HA CYS 44 HA CYS 44 2.589 2.447 6.659 285 HB2 CYS 44 3HB CYS 44 1.536 0.282 5.762 286 HB3 CYS 44 2HB CYS 44 0.753 1.815 5.381 287 H SER 45 HN SER 45 3.906 1.416 7.958 288 HA SER 45 HA SER 45 6.108 -0.120 6.855 289 HB2 SER 45 3HB SER 45 5.488 0.165 9.810 290 HB3 SER 45 2HB SER 45 7.034 -0.175 9.036 291 HG SER 45 HG SER 45 6.368 2.065 7.984 292 H SER 46 HN SER 46 2.960 -0.593 7.987 293 HA SER 46 HA SER 46 3.431 -3.489 7.982 294 HB2 SER 46 3HB SER 46 2.423 -2.766 10.076 295 HB3 SER 46 2HB SER 46 1.166 -1.891 9.206 296 HG SER 46 HG SER 46 1.569 -4.697 9.335 297 H ASP 47 HN ASP 47 2.414 -4.663 6.465 298 HA ASP 47 HA ASP 47 1.408 -3.527 4.141 299 HB2 ASP 47 3HB ASP 47 2.470 -5.756 4.289 300 HB3 ASP 47 2HB ASP 47 1.030 -6.367 5.095 301 H ALA 48 HN ALA 48 -0.369 -4.716 6.985 302 HA ALA 48 HA ALA 48 -2.855 -4.887 5.830 303 HB1 ALA 48 1HB ALA 48 -3.745 -4.746 8.089 304 HB2 ALA 48 2HB ALA 48 -2.193 -4.139 8.669 305 HB3 ALA 48 3HB ALA 48 -2.319 -5.782 8.040 306 H GLN 49 HN GLN 49 -0.979 -2.122 6.478 307 HA GLN 49 HA GLN 49 -3.167 -0.308 6.903 308 HB2 GLN 49 3HB GLN 49 -0.273 0.295 6.327 309 HB3 GLN 49 2HB GLN 49 -1.471 1.422 6.945 310 HG2 GLN 49 3HG GLN 49 -1.686 0.108 8.963 311 HG3 GLN 49 2HG GLN 49 -0.500 -1.047 8.349 312 HE21 GLN 49 1HE2 GLN 49 -0.203 0.496 10.823 313 HE22 GLN 49 2HE2 GLN 49 1.165 1.515 10.593 314 H CYS 50 HN CYS 50 -1.305 -1.521 4.238 315 HA CYS 50 HA CYS 50 -2.485 0.448 2.413 316 HB2 CYS 50 3HB CYS 50 -0.146 -0.432 1.993 317 HB3 CYS 50 2HB CYS 50 -0.885 -1.994 1.643 318 H ARG 51 HN ARG 51 -2.685 -2.988 3.193 319 HA ARG 51 HA ARG 51 -4.734 -3.781 1.509 320 HB2 ARG 51 3HB ARG 51 -4.303 -4.521 4.412 321 HB3 ARG 51 2HB ARG 51 -5.439 -5.333 3.350 322 HG2 ARG 51 3HG ARG 51 -2.446 -5.248 3.076 323 HG3 ARG 51 2HG ARG 51 -3.448 -6.635 3.500 324 HD2 ARG 51 3HD ARG 51 -3.594 -5.136 0.898 325 HD3 ARG 51 2HD ARG 51 -2.703 -6.636 1.145 326 HE ARG 51 HE ARG 51 -5.289 -7.145 1.965 327 HH11 ARG 51 1HH1 ARG 51 -3.713 -6.140 -0.989 328 HH12 ARG 51 2HH1 ARG 51 -4.874 -6.907 -2.026 329 HH21 ARG 51 1HH2 ARG 51 -6.815 -8.174 0.613 330 HH22 ARG 51 2HH2 ARG 51 -6.644 -8.069 -1.109 331 H ALA 52 HN ALA 52 -5.026 -2.250 4.690 332 HA ALA 52 HA ALA 52 -7.878 -1.965 4.441 333 HB1 ALA 52 1HB ALA 52 -6.832 -2.332 6.626 334 HB2 ALA 52 2HB ALA 52 -7.757 -0.831 6.590 335 HB3 ALA 52 3HB ALA 52 -5.997 -0.787 6.484 336 H ARG 53 HN ARG 53 -5.218 -0.294 3.249 337 HA ARG 53 HA ARG 53 -6.511 2.298 3.219 338 HB2 ARG 53 3HB ARG 53 -3.996 1.951 3.262 339 HB3 ARG 53 2HB ARG 53 -4.128 1.478 1.575 340 HG2 ARG 53 3HG ARG 53 -3.458 3.767 1.688 341 HG3 ARG 53 2HG ARG 53 -5.106 3.689 1.071 342 HD2 ARG 53 3HD ARG 53 -5.956 4.252 3.306 343 HD3 ARG 53 2HD ARG 53 -4.300 4.349 3.904 344 HE ARG 53 HE ARG 53 -4.680 6.049 1.659 345 HH11 ARG 53 1HH1 ARG 53 -5.323 5.816 5.090 346 HH12 ARG 53 2HH1 ARG 53 -5.417 7.532 5.316 347 HH21 ARG 53 1HH2 ARG 53 -4.765 8.309 1.958 348 HH22 ARG 53 2HH2 ARG 53 -5.076 8.952 3.541 349 H GLY 54 HN GLY 54 -6.770 -0.558 1.517 350 HA2 GLY 54 2HA GLY 54 -8.414 -0.987 -0.096 351 HA3 GLY 54 1HA GLY 54 -8.543 0.740 -0.387 352 H CYS 55 HN CYS 55 -5.333 0.079 -0.402 353 HA CYS 55 HA CYS 55 -5.358 0.093 -3.314 354 HB2 CYS 55 3HB CYS 55 -3.265 0.865 -1.350 355 HB3 CYS 55 2HB CYS 55 -2.802 0.455 -3.004 356 H ASP 56 HN ASP 56 -2.711 -1.571 -1.565 357 HA ASP 56 HA ASP 56 -3.694 -4.113 -2.454 358 HB2 ASP 56 3HB ASP 56 -2.938 -3.415 -4.624 359 HB3 ASP 56 2HB ASP 56 -1.414 -2.821 -3.971 360 H GLY 57 HN GLY 57 -0.500 -2.520 -1.935 361 HA2 GLY 57 2HA GLY 57 -0.220 -3.982 0.527 362 HA3 GLY 57 1HA GLY 57 0.750 -4.650 -0.774 363 H CYS 58 HN CYS 58 1.767 -3.677 1.580 364 HA CYS 58 HA CYS 58 2.983 -1.103 0.932 365 HB2 CYS 58 3HB CYS 58 3.136 -2.817 3.420 366 HB3 CYS 58 2HB CYS 58 3.791 -1.186 3.255 367 H SER 59 HN SER 59 4.846 -1.127 -0.191 368 HA SER 59 HA SER 59 6.064 -3.708 -0.654 369 HB2 SER 59 3HB SER 59 7.432 -2.421 -2.327 370 HB3 SER 59 2HB SER 59 5.688 -2.317 -2.574 371 HG SER 59 HG SER 59 6.816 -0.279 -2.704 372 H THR 60 HN THR 60 8.615 -3.570 -0.967 373 HA THR 60 HA THR 60 9.874 -3.492 1.463 374 HB THR 60 HB THR 60 11.968 -2.800 -0.040 375 HG1 THR 60 1HG THR 60 11.510 -2.697 -2.096 376 HG21 THR 60 1HG2 THR 60 11.637 -4.976 1.017 377 HG22 THR 60 2HG2 THR 60 12.191 -5.169 -0.646 378 HG23 THR 60 3HG2 THR 60 10.494 -5.430 -0.246 379 H SER 61 HN SER 61 9.072 -0.563 -0.385 380 HA SER 61 HA SER 61 10.908 0.983 1.226 381 HB2 SER 61 3HB SER 61 10.018 2.880 -0.265 382 HB3 SER 61 2HB SER 61 11.010 1.637 -1.026 383 HG SER 61 HG SER 61 8.935 2.264 -2.075 384 H GLY 62 HN GLY 62 8.020 -0.239 1.802 385 HA2 GLY 62 2HA GLY 62 6.467 0.215 3.425 386 HA3 GLY 62 1HA GLY 62 7.491 1.547 3.934 387 H VAL 63 HN VAL 63 5.866 1.016 0.837 388 HA VAL 63 HA VAL 63 4.236 3.421 1.341 389 HB VAL 63 HB VAL 63 4.396 3.930 -1.107 390 HG11 VAL 63 1HG1 VAL 63 7.016 3.861 0.377 391 HG12 VAL 63 2HG1 VAL 63 5.793 5.129 0.466 392 HG13 VAL 63 3HG1 VAL 63 6.666 4.849 -1.041 393 HG21 VAL 63 1HG2 VAL 63 6.108 2.897 -2.461 394 HG22 VAL 63 2HG2 VAL 63 5.007 1.658 -1.857 395 HG23 VAL 63 3HG2 VAL 63 6.594 1.866 -1.117 396 H CYS 64 HN CYS 64 2.239 3.439 -0.173 397 HA CYS 64 HA CYS 64 1.089 0.719 -0.030 398 HB2 CYS 64 3HB CYS 64 -0.053 2.680 1.155 399 HB3 CYS 64 2HB CYS 64 -0.351 3.352 -0.416 400 H VAL 65 HN VAL 65 1.288 -0.301 -1.948 401 HA VAL 65 HA VAL 65 0.672 1.171 -4.403 402 HB VAL 65 HB VAL 65 2.779 0.495 -5.480 403 HG11 VAL 65 1HG1 VAL 65 3.164 2.014 -2.931 404 HG12 VAL 65 2HG1 VAL 65 2.672 2.677 -4.488 405 HG13 VAL 65 3HG1 VAL 65 4.290 2.002 -4.287 406 HG21 VAL 65 1HG2 VAL 65 4.630 -0.420 -4.190 407 HG22 VAL 65 2HG2 VAL 65 3.240 -1.505 -4.132 408 HG23 VAL 65 3HG2 VAL 65 3.614 -0.475 -2.748 409 H LEU 66 HN LEU 66 0.900 -0.399 -6.329 410 HA LEU 66 HA LEU 66 -0.022 -3.034 -5.775 411 HB2 LEU 66 3HB LEU 66 -0.371 -1.898 -7.942 412 HB3 LEU 66 2HB LEU 66 1.358 -1.936 -8.232 413 HG LEU 66 HG LEU 66 1.235 -4.443 -8.168 414 HD11 LEU 66 1HD1 LEU 66 -0.824 -4.682 -6.911 415 HD12 LEU 66 2HD1 LEU 66 -0.962 -5.477 -8.479 416 HD13 LEU 66 3HD1 LEU 66 -1.731 -3.912 -8.212 417 HD21 LEU 66 1HD2 LEU 66 1.329 -3.226 -10.272 418 HD22 LEU 66 2HD2 LEU 66 -0.425 -3.047 -10.260 419 HD23 LEU 66 3HD2 LEU 66 0.296 -4.647 -10.415 420 H SER 67 HN SER 67 1.387 -3.817 -4.202 421 HA SER 67 HA SER 67 4.083 -3.789 -3.899 422 HB2 SER 67 3HB SER 67 2.630 -6.420 -3.666 423 HB3 SER 67 2HB SER 67 3.849 -5.722 -2.600 424 HG SER 67 HG SER 67 1.119 -5.027 -2.872 425 H SER 68 HN SER 68 5.621 -4.094 -5.658 426 HA SER 68 HA SER 68 5.004 -6.202 -7.573 427 HB2 SER 68 3HB SER 68 7.049 -3.977 -7.711 428 HB3 SER 68 2HB SER 68 6.661 -5.107 -9.010 429 HG SER 68 HG SER 68 4.550 -3.672 -7.859 430 H LEU 69 HN LEU 69 5.565 -7.814 -5.942 431 HA LEU 69 HA LEU 69 8.332 -8.598 -6.309 432 HB2 LEU 69 3HB LEU 69 8.733 -9.110 -3.970 433 HB3 LEU 69 2HB LEU 69 8.406 -7.404 -4.172 434 HG LEU 69 HG LEU 69 6.255 -9.310 -3.272 435 HD11 LEU 69 1HD1 LEU 69 8.239 -7.835 -1.547 436 HD12 LEU 69 2HD1 LEU 69 8.122 -9.583 -1.740 437 HD13 LEU 69 3HD1 LEU 69 6.812 -8.693 -0.967 438 HD21 LEU 69 1HD2 LEU 69 6.673 -6.347 -2.891 439 HD22 LEU 69 2HD2 LEU 69 5.315 -7.286 -2.272 440 HD23 LEU 69 3HD2 LEU 69 5.536 -7.097 -4.011 441 H HIS 70 HN HIS 70 6.362 -9.669 -7.660 442 HA HIS 70 HA HIS 70 5.133 -11.883 -6.245 443 HB2 HIS 70 3HB HIS 70 4.989 -10.932 -9.104 444 HB3 HIS 70 2HB HIS 70 4.221 -12.422 -8.568 445 HD1 HIS 70 1HD HIS 70 1.795 -11.901 -8.552 446 HD2 HIS 70 2HD HIS 70 4.046 -8.860 -6.829 447 HE1 HIS 70 1HE HIS 70 0.129 -10.236 -7.679 448 HE2 HIS 70 2HE HIS 70 1.518 -8.324 -6.805 449 H HIS 71 HN HIS 71 7.698 -12.302 -5.924 450 HA HIS 71 HA HIS 71 8.234 -14.616 -7.655 451 HB2 HIS 71 3HB HIS 71 10.343 -12.633 -6.749 452 HB3 HIS 71 2HB HIS 71 10.637 -14.102 -7.668 453 HD1 HIS 71 1HD HIS 71 9.971 -14.082 -10.183 454 HD2 HIS 71 2HD HIS 71 9.433 -10.459 -8.223 455 HE1 HIS 71 1HE HIS 71 9.604 -12.378 -12.000 456 HE2 HIS 71 2HE HIS 71 9.150 -10.218 -10.782 457 H HIS 72 HN HIS 72 10.799 -14.996 -6.113 458 HA HIS 72 HA HIS 72 9.745 -16.444 -3.910 459 HB2 HIS 72 3HB HIS 72 12.564 -15.631 -4.625 460 HB3 HIS 72 2HB HIS 72 12.183 -16.582 -3.194 461 HD1 HIS 72 1HD HIS 72 11.335 -19.030 -3.591 462 HD2 HIS 72 2HD HIS 72 12.513 -17.012 -7.026 463 HE1 HIS 72 1HE HIS 72 11.562 -20.792 -5.366 464 HE2 HIS 72 2HE HIS 72 12.097 -19.521 -7.473 465 H HIS 73 HN HIS 73 9.360 -15.825 -1.864 466 HA HIS 73 HA HIS 73 9.759 -12.990 -1.259 467 HB2 HIS 73 3HB HIS 73 8.043 -15.110 0.043 468 HB3 HIS 73 2HB HIS 73 8.223 -13.482 0.684 469 HD1 HIS 73 1HD HIS 73 6.805 -11.666 -0.343 470 HD2 HIS 73 2HD HIS 73 6.657 -15.237 -2.464 471 HE1 HIS 73 1HE HIS 73 4.974 -11.369 -2.041 472 HE2 HIS 73 2HE HIS 73 4.772 -13.614 -3.170 473 H HIS 74 HN HIS 74 11.521 -12.449 -0.156 474 HA HIS 74 HA HIS 74 12.889 -14.378 1.504 475 HB2 HIS 74 3HB HIS 74 14.023 -12.549 0.116 476 HB3 HIS 74 2HB HIS 74 13.479 -11.420 1.352 477 HD1 HIS 74 1HD HIS 74 16.033 -14.008 0.649 478 HD2 HIS 74 2HD HIS 74 14.754 -11.735 3.885 479 HE1 HIS 74 1HE HIS 74 17.823 -14.246 2.392 480 HE2 HIS 74 2HE HIS 74 17.098 -12.752 4.280 481 H HIS 75 HN HIS 75 10.561 -11.880 1.831 482 HA HIS 75 HA HIS 75 10.565 -12.256 4.751 483 HB2 HIS 75 3HB HIS 75 10.981 -9.918 4.041 484 HB3 HIS 75 2HB HIS 75 9.471 -9.931 3.143 485 HD1 HIS 75 1HD HIS 75 7.325 -9.557 4.442 486 HD2 HIS 75 2HD HIS 75 10.692 -9.803 6.863 487 HE1 HIS 75 1HE HIS 75 6.583 -8.769 6.713 488 HE2 HIS 75 2HE HIS 75 8.649 -8.866 8.150 Start of MODEL 12 1 H1 MET 1 1HT MET 1 3.204 14.061 3.042 2 H2 MET 1 2HT MET 1 4.744 14.753 3.009 3 H3 MET 1 3HT MET 1 3.810 14.705 1.598 4 HA MET 1 HA MET 1 2.203 16.188 2.553 5 HB2 MET 1 3HB MET 1 2.762 17.304 4.726 6 HB3 MET 1 2HB MET 1 2.338 15.603 4.868 7 HG2 MET 1 3HG MET 1 4.711 15.030 5.019 8 HG3 MET 1 2HG MET 1 5.125 16.740 4.901 9 HE1 MET 1 1HE MET 1 6.013 14.674 7.271 10 HE2 MET 1 2HE MET 1 5.897 15.773 8.646 11 HE3 MET 1 3HE MET 1 6.577 16.338 7.120 12 H CYS 2 HN CYS 2 4.706 16.060 0.969 13 HA CYS 2 HA CYS 2 4.969 18.897 0.580 14 HB2 CYS 2 3HB CYS 2 7.467 18.856 0.704 15 HB3 CYS 2 2HB CYS 2 6.692 18.634 2.267 16 HG CYS 2 HG CYS 2 9.031 16.864 1.035 17 H GLU 3 HN GLU 3 3.747 17.249 -0.995 18 HA GLU 3 HA GLU 3 5.381 15.559 -2.587 19 HB2 GLU 3 3HB GLU 3 2.572 16.407 -3.255 20 HB3 GLU 3 2HB GLU 3 3.387 14.915 -3.696 21 HG2 GLU 3 3HG GLU 3 2.344 15.729 -0.999 22 HG3 GLU 3 2HG GLU 3 1.839 14.372 -2.000 23 H PHE 4 HN PHE 4 6.884 16.609 -3.710 24 HA PHE 4 HA PHE 4 6.301 18.893 -5.385 25 HB2 PHE 4 3HB PHE 4 8.662 18.415 -6.236 26 HB3 PHE 4 2HB PHE 4 8.510 18.803 -4.526 27 HD1 PHE 4 1HD PHE 4 9.188 16.140 -6.958 28 HD2 PHE 4 2HD PHE 4 8.973 17.170 -2.836 29 HE1 PHE 4 1HE PHE 4 10.361 14.059 -6.379 30 HE2 PHE 4 2HE PHE 4 10.144 15.089 -2.250 31 HZ PHE 4 HZ PHE 4 10.841 13.530 -4.024 32 H ILE 5 HN ILE 5 5.716 15.633 -5.646 33 HA ILE 5 HA ILE 5 6.061 15.273 -8.459 34 HB ILE 5 HB ILE 5 5.630 13.453 -6.580 35 HG12 ILE 5 3HG1 ILE 5 4.428 13.136 -9.330 36 HG13 ILE 5 2HG1 ILE 5 6.154 13.073 -8.985 37 HG21 ILE 5 1HG2 ILE 5 3.303 12.556 -6.746 38 HG22 ILE 5 2HG2 ILE 5 2.834 14.057 -7.546 39 HG23 ILE 5 3HG2 ILE 5 3.411 14.087 -5.882 40 HD11 ILE 5 1HD1 ILE 5 5.392 10.847 -9.134 41 HD12 ILE 5 2HD1 ILE 5 4.024 11.169 -8.073 42 HD13 ILE 5 3HD1 ILE 5 5.664 11.173 -7.424 43 H GLU 6 HN GLU 6 4.162 17.477 -7.023 44 HA GLU 6 HA GLU 6 1.782 16.989 -8.645 45 HB2 GLU 6 3HB GLU 6 2.264 18.875 -6.345 46 HB3 GLU 6 2HB GLU 6 0.790 18.830 -7.296 47 HG2 GLU 6 3HG GLU 6 1.890 16.607 -5.598 48 HG3 GLU 6 2HG GLU 6 0.483 17.610 -5.245 49 H ASP 7 HN ASP 7 3.280 17.605 -10.475 50 HA ASP 7 HA ASP 7 3.665 20.463 -10.793 51 HB2 ASP 7 3HB ASP 7 4.800 19.973 -12.826 52 HB3 ASP 7 2HB ASP 7 5.301 18.734 -11.681 53 H SER 8 HN SER 8 1.385 18.034 -11.559 54 HA SER 8 HA SER 8 0.009 19.431 -13.626 55 HB2 SER 8 3HB SER 8 -0.984 17.245 -11.777 56 HB3 SER 8 2HB SER 8 -1.764 17.766 -13.270 57 HG SER 8 HG SER 8 0.476 16.179 -12.890 58 H GLU 9 HN GLU 9 -0.091 19.416 -10.147 59 HA GLU 9 HA GLU 9 -2.456 21.105 -10.070 60 HB2 GLU 9 3HB GLU 9 -2.166 19.334 -8.375 61 HB3 GLU 9 2HB GLU 9 -0.690 20.110 -7.826 62 HG2 GLU 9 3HG GLU 9 -1.955 22.062 -7.132 63 HG3 GLU 9 2HG GLU 9 -3.440 21.324 -7.730 64 H ASP 10 HN ASP 10 0.896 21.286 -8.862 65 HA ASP 10 HA ASP 10 0.656 24.139 -8.491 66 HB2 ASP 10 3HB ASP 10 3.003 22.266 -8.106 67 HB3 ASP 10 2HB ASP 10 3.019 23.980 -7.706 68 H ILE 11 HN ILE 11 0.340 24.932 -10.546 69 HA ILE 11 HA ILE 11 2.129 24.305 -12.717 70 HB ILE 11 HB ILE 11 0.118 26.560 -12.645 71 HG12 ILE 11 3HG1 ILE 11 -0.987 24.460 -11.971 72 HG13 ILE 11 2HG1 ILE 11 -1.532 24.998 -13.556 73 HG21 ILE 11 1HG2 ILE 11 1.700 26.557 -14.521 74 HG22 ILE 11 2HG2 ILE 11 0.051 26.232 -15.062 75 HG23 ILE 11 3HG2 ILE 11 1.210 24.911 -14.925 76 HD11 ILE 11 1HD1 ILE 11 0.487 22.830 -13.029 77 HD12 ILE 11 2HD1 ILE 11 -0.068 23.363 -14.616 78 HD13 ILE 11 3HD1 ILE 11 -1.196 22.596 -13.498 79 H GLN 12 HN GLN 12 2.612 26.032 -10.046 80 HA GLN 12 HA GLN 12 3.797 28.410 -11.174 81 HB2 GLN 12 3HB GLN 12 4.006 27.275 -8.393 82 HB3 GLN 12 2HB GLN 12 4.584 28.856 -8.882 83 HG2 GLN 12 3HG GLN 12 1.739 27.918 -8.635 84 HG3 GLN 12 2HG GLN 12 2.547 29.214 -7.766 85 HE21 GLN 12 1HE2 GLN 12 0.925 28.292 -10.665 86 HE22 GLN 12 2HE2 GLN 12 0.815 29.874 -11.359 87 H GLY 13 HN GLY 13 4.752 25.188 -10.716 88 HA2 GLY 13 2HA GLY 13 7.516 25.915 -11.336 89 HA3 GLY 13 1HA GLY 13 7.226 24.944 -9.902 90 H LEU 14 HN LEU 14 6.502 24.999 -13.382 91 HA LEU 14 HA LEU 14 6.360 22.132 -13.557 92 HB2 LEU 14 3HB LEU 14 6.749 24.187 -15.738 93 HB3 LEU 14 2HB LEU 14 6.477 22.481 -16.017 94 HG LEU 14 HG LEU 14 4.393 23.380 -16.396 95 HD11 LEU 14 1HD1 LEU 14 4.334 22.731 -13.458 96 HD12 LEU 14 2HD1 LEU 14 4.223 21.570 -14.782 97 HD13 LEU 14 3HD1 LEU 14 2.946 22.764 -14.545 98 HD21 LEU 14 1HD2 LEU 14 3.354 25.135 -15.044 99 HD22 LEU 14 2HD2 LEU 14 4.884 25.653 -15.746 100 HD23 LEU 14 3HD2 LEU 14 4.803 25.209 -14.042 101 H LYS 15 HN LYS 15 8.561 22.487 -12.184 102 HA LYS 15 HA LYS 15 10.888 22.646 -13.926 103 HB2 LYS 15 3HB LYS 15 12.133 22.484 -11.733 104 HB3 LYS 15 2HB LYS 15 11.083 23.885 -11.905 105 HG2 LYS 15 3HG LYS 15 9.331 22.536 -10.661 106 HG3 LYS 15 2HG LYS 15 10.631 21.411 -10.267 107 HD2 LYS 15 3HD LYS 15 11.839 23.112 -9.097 108 HD3 LYS 15 2HD LYS 15 10.729 24.363 -9.662 109 HE2 LYS 15 3HE LYS 15 8.902 23.232 -8.428 110 HE3 LYS 15 2HE LYS 15 10.080 22.086 -7.794 111 HZ1 LYS 15 1HZ LYS 15 11.220 23.888 -6.699 112 HZ2 LYS 15 2HZ LYS 15 9.592 23.891 -6.240 113 HZ3 LYS 15 3HZ LYS 15 10.156 25.023 -7.362 114 H SER 16 HN SER 16 8.839 20.308 -13.495 115 HA SER 16 HA SER 16 10.660 18.162 -12.786 116 HB2 SER 16 3HB SER 16 8.611 16.741 -13.140 117 HB3 SER 16 2HB SER 16 8.430 17.985 -11.903 118 HG SER 16 HG SER 16 6.856 17.603 -13.907 119 H LEU 17 HN LEU 17 10.233 19.932 -15.455 120 HA LEU 17 HA LEU 17 10.095 17.816 -17.416 121 HB2 LEU 17 3HB LEU 17 9.130 20.145 -17.714 122 HB3 LEU 17 2HB LEU 17 10.775 20.719 -17.875 123 HG LEU 17 HG LEU 17 9.757 18.573 -19.707 124 HD11 LEU 17 1HD1 LEU 17 9.074 20.333 -21.285 125 HD12 LEU 17 2HD1 LEU 17 9.346 21.543 -20.031 126 HD13 LEU 17 3HD1 LEU 17 8.087 20.326 -19.824 127 HD21 LEU 17 1HD2 LEU 17 11.782 20.786 -20.037 128 HD22 LEU 17 2HD2 LEU 17 11.383 19.561 -21.241 129 HD23 LEU 17 3HD2 LEU 17 12.149 19.090 -19.723 130 H ARG 18 HN ARG 18 12.448 19.816 -15.882 131 HA ARG 18 HA ARG 18 14.645 18.828 -17.452 132 HB2 ARG 18 3HB ARG 18 16.075 20.149 -16.069 133 HB3 ARG 18 2HB ARG 18 14.651 21.113 -16.400 134 HG2 ARG 18 3HG ARG 18 13.789 20.621 -14.164 135 HG3 ARG 18 2HG ARG 18 15.202 19.616 -13.842 136 HD2 ARG 18 3HD ARG 18 15.278 22.559 -14.499 137 HD3 ARG 18 2HD ARG 18 15.374 21.886 -12.872 138 HE ARG 18 HE ARG 18 17.388 20.634 -14.190 139 HH11 ARG 18 1HH1 ARG 18 16.521 24.000 -13.751 140 HH12 ARG 18 2HH1 ARG 18 18.162 24.562 -13.834 141 HH21 ARG 18 1HH2 ARG 18 19.543 21.373 -14.308 142 HH22 ARG 18 2HH2 ARG 18 19.879 23.069 -14.154 143 H LYS 19 HN LYS 19 16.229 17.402 -16.742 144 HA LYS 19 HA LYS 19 17.021 15.494 -15.791 145 HB2 LYS 19 3HB LYS 19 17.114 16.939 -13.751 146 HB3 LYS 19 2HB LYS 19 15.498 16.395 -13.330 147 HG2 LYS 19 3HG LYS 19 16.380 14.067 -13.230 148 HG3 LYS 19 2HG LYS 19 17.998 14.728 -13.471 149 HD2 LYS 19 3HD LYS 19 17.797 16.032 -11.433 150 HD3 LYS 19 2HD LYS 19 16.140 15.466 -11.210 151 HE2 LYS 19 3HE LYS 19 16.968 13.164 -11.009 152 HE3 LYS 19 2HE LYS 19 18.620 13.749 -11.204 153 HZ1 LYS 19 1HZ LYS 19 18.384 15.023 -9.179 154 HZ2 LYS 19 2HZ LYS 19 18.044 13.397 -8.879 155 HZ3 LYS 19 3HZ LYS 19 16.781 14.513 -9.001 156 H SER 20 HN SER 20 14.994 15.092 -17.438 157 HA SER 20 HA SER 20 13.360 13.053 -16.089 158 HB2 SER 20 3HB SER 20 12.115 15.254 -16.565 159 HB3 SER 20 2HB SER 20 12.243 14.826 -18.270 160 HG SER 20 HG SER 20 10.768 13.319 -18.016 161 H HIS 21 HN HIS 21 14.341 14.346 -19.288 162 HA HIS 21 HA HIS 21 14.079 11.690 -20.430 163 HB2 HIS 21 3HB HIS 21 14.761 14.372 -21.624 164 HB3 HIS 21 2HB HIS 21 14.817 12.877 -22.550 165 HD1 HIS 21 1HD HIS 21 12.601 15.573 -21.792 166 HD2 HIS 21 2HD HIS 21 12.150 11.481 -22.373 167 HE1 HIS 21 1HE HIS 21 10.165 15.224 -22.311 168 HE2 HIS 21 2HE HIS 21 9.888 12.730 -22.484 169 H THR 22 HN THR 22 16.272 12.978 -18.522 170 HA THR 22 HA THR 22 18.783 12.803 -19.770 171 HB THR 22 HB THR 22 19.399 11.940 -17.271 172 HG1 THR 22 1HG THR 22 17.535 11.866 -16.226 173 HG21 THR 22 1HG2 THR 22 20.217 13.988 -18.319 174 HG22 THR 22 2HG2 THR 22 19.661 14.305 -16.676 175 HG23 THR 22 3HG2 THR 22 18.660 14.769 -18.050 176 H SER 23 HN SER 23 17.450 10.098 -17.701 177 HA SER 23 HA SER 23 18.851 8.297 -19.561 178 HB2 SER 23 3HB SER 23 18.231 7.863 -16.628 179 HB3 SER 23 2HB SER 23 19.041 6.707 -17.686 180 HG SER 23 HG SER 23 20.100 8.741 -16.325 181 H LEU 24 HN LEU 24 16.080 9.483 -19.410 182 HA LEU 24 HA LEU 24 14.013 8.904 -20.204 183 HB2 LEU 24 3HB LEU 24 15.189 6.139 -20.471 184 HB3 LEU 24 2HB LEU 24 13.623 6.633 -21.086 185 HG LEU 24 HG LEU 24 16.302 7.691 -21.993 186 HD11 LEU 24 1HD1 LEU 24 15.749 6.583 -24.098 187 HD12 LEU 24 2HD1 LEU 24 14.274 5.942 -23.374 188 HD13 LEU 24 3HD1 LEU 24 15.848 5.432 -22.766 189 HD21 LEU 24 1HD2 LEU 24 13.516 8.369 -22.923 190 HD22 LEU 24 2HD2 LEU 24 15.004 8.872 -23.719 191 HD23 LEU 24 3HD2 LEU 24 14.636 9.447 -22.093 192 H GLU 25 HN GLU 25 15.314 6.523 -17.927 193 HA GLU 25 HA GLU 25 12.864 5.707 -16.824 194 HB2 GLU 25 3HB GLU 25 15.012 4.525 -16.494 195 HB3 GLU 25 2HB GLU 25 15.575 5.855 -15.492 196 HG2 GLU 25 3HG GLU 25 13.724 5.404 -13.924 197 HG3 GLU 25 2HG GLU 25 13.279 4.008 -14.902 198 H ASP 26 HN ASP 26 14.751 8.543 -16.388 199 HA ASP 26 HA ASP 26 13.796 9.374 -13.870 200 HB2 ASP 26 3HB ASP 26 14.838 11.018 -16.173 201 HB3 ASP 26 2HB ASP 26 14.603 11.610 -14.540 202 H ASP 27 HN ASP 27 12.580 9.536 -17.021 203 HA ASP 27 HA ASP 27 10.710 11.631 -16.647 204 HB2 ASP 27 3HB ASP 27 11.626 10.975 -18.870 205 HB3 ASP 27 2HB ASP 27 10.693 9.488 -18.772 206 H ASP 28 HN ASP 28 10.723 8.330 -15.941 207 HA ASP 28 HA ASP 28 7.937 7.832 -15.914 208 HB2 ASP 28 3HB ASP 28 10.219 6.481 -14.478 209 HB3 ASP 28 2HB ASP 28 8.553 5.939 -14.331 210 H ASP 29 HN ASP 29 10.108 9.331 -13.751 211 HA ASP 29 HA ASP 29 8.400 9.266 -11.447 212 HB2 ASP 29 3HB ASP 29 10.825 9.402 -11.183 213 HB3 ASP 29 2HB ASP 29 10.859 10.931 -12.051 214 H GLY 30 HN GLY 30 8.882 11.362 -14.180 215 HA2 GLY 30 2HA GLY 30 7.311 13.507 -12.998 216 HA3 GLY 30 1HA GLY 30 8.081 13.526 -14.574 217 H SER 31 HN SER 31 6.735 10.760 -15.006 218 HA SER 31 HA SER 31 4.481 11.887 -16.392 219 HB2 SER 31 3HB SER 31 5.407 9.013 -16.191 220 HB3 SER 31 2HB SER 31 4.210 9.636 -17.327 221 HG SER 31 HG SER 31 6.592 11.014 -17.335 222 H ARG 32 HN ARG 32 4.452 11.776 -13.418 223 HA ARG 32 HA ARG 32 1.770 10.795 -13.146 224 HB2 ARG 32 3HB ARG 32 2.293 9.388 -11.138 225 HB3 ARG 32 2HB ARG 32 2.831 8.716 -12.668 226 HG2 ARG 32 3HG ARG 32 5.118 9.598 -12.148 227 HG3 ARG 32 2HG ARG 32 4.511 10.018 -10.547 228 HD2 ARG 32 3HD ARG 32 5.658 7.856 -10.538 229 HD3 ARG 32 2HD ARG 32 3.950 7.686 -10.131 230 HE ARG 32 HE ARG 32 3.678 7.044 -12.563 231 HH11 ARG 32 1HH1 ARG 32 6.617 6.419 -10.770 232 HH12 ARG 32 2HH1 ARG 32 7.108 5.103 -11.786 233 HH21 ARG 32 1HH2 ARG 32 4.305 5.304 -13.884 234 HH22 ARG 32 2HH2 ARG 32 5.794 4.473 -13.567 235 H GLY 33 HN GLY 33 1.198 11.045 -10.641 236 HA2 GLY 33 2HA GLY 33 1.614 12.825 -8.912 237 HA3 GLY 33 1HA GLY 33 1.829 13.902 -10.288 238 H GLY 34 HN GLY 34 -0.144 14.019 -8.149 239 HA2 GLY 34 2HA GLY 34 -2.402 14.465 -7.927 240 HA3 GLY 34 1HA GLY 34 -2.561 14.273 -9.668 241 H ASP 35 HN ASP 35 -1.013 11.708 -8.123 242 HA ASP 35 HA ASP 35 -3.433 10.061 -8.400 243 HB2 ASP 35 3HB ASP 35 -1.983 8.188 -8.925 244 HB3 ASP 35 2HB ASP 35 -1.582 9.534 -9.985 245 H CYS 36 HN CYS 36 -1.323 11.368 -6.169 246 HA CYS 36 HA CYS 36 -1.146 9.177 -4.340 247 HB2 CYS 36 3HB CYS 36 -0.793 12.130 -3.766 248 HB3 CYS 36 2HB CYS 36 -0.259 10.793 -2.760 249 HG CYS 36 HG CYS 36 1.090 10.210 -5.612 250 H GLU 37 HN GLU 37 -3.174 8.388 -3.985 251 HA GLU 37 HA GLU 37 -5.052 10.176 -2.597 252 HB2 GLU 37 3HB GLU 37 -5.774 7.898 -4.458 253 HB3 GLU 37 2HB GLU 37 -6.890 9.016 -3.686 254 HG2 GLU 37 3HG GLU 37 -6.044 10.846 -4.996 255 HG3 GLU 37 2HG GLU 37 -4.790 9.821 -5.690 256 H GLY 38 HN GLY 38 -3.063 8.596 -1.334 257 HA2 GLY 38 2HA GLY 38 -3.421 7.412 0.754 258 HA3 GLY 38 1HA GLY 38 -4.785 6.618 -0.013 259 H CYS 39 HN CYS 39 -3.262 6.068 -2.471 260 HA CYS 39 HA CYS 39 -1.806 3.730 -1.443 261 HB2 CYS 39 3HB CYS 39 -3.123 3.916 -4.144 262 HB3 CYS 39 2HB CYS 39 -2.655 2.473 -3.253 263 H SER 40 HN SER 40 -0.339 6.125 -1.845 264 HA SER 40 HA SER 40 1.755 5.405 -3.465 265 HB2 SER 40 3HB SER 40 1.427 6.980 -5.410 266 HB3 SER 40 2HB SER 40 0.405 5.552 -5.393 267 HG SER 40 HG SER 40 -0.563 7.739 -5.851 268 H GLY 41 HN GLY 41 3.435 6.665 -3.026 269 HA2 GLY 41 2HA GLY 41 4.619 8.550 -2.112 270 HA3 GLY 41 1HA GLY 41 3.101 9.443 -2.199 271 H THR 42 HN THR 42 1.692 7.261 -0.760 272 HA THR 42 HA THR 42 2.069 8.274 1.891 273 HB THR 42 HB THR 42 0.455 6.143 2.259 274 HG1 THR 42 1HG THR 42 -0.727 5.771 0.389 275 HG21 THR 42 1HG2 THR 42 -0.131 8.459 2.761 276 HG22 THR 42 2HG2 THR 42 -1.436 7.673 1.873 277 HG23 THR 42 3HG2 THR 42 -0.354 8.789 1.044 278 H ALA 43 HN ALA 43 2.500 6.940 3.774 279 HA ALA 43 HA ALA 43 4.394 4.758 3.172 280 HB1 ALA 43 1HB ALA 43 5.822 5.546 4.971 281 HB2 ALA 43 2HB ALA 43 4.699 6.859 5.325 282 HB3 ALA 43 3HB ALA 43 5.572 6.835 3.793 283 H CYS 44 HN CYS 44 3.688 2.979 3.871 284 HA CYS 44 HA CYS 44 2.396 2.794 6.506 285 HB2 CYS 44 3HB CYS 44 1.473 0.615 5.501 286 HB3 CYS 44 2HB CYS 44 0.741 2.138 5.003 287 H SER 45 HN SER 45 3.468 1.701 7.982 288 HA SER 45 HA SER 45 5.949 0.416 7.210 289 HB2 SER 45 3HB SER 45 4.824 0.408 10.019 290 HB3 SER 45 2HB SER 45 6.507 0.359 9.499 291 HG SER 45 HG SER 45 5.658 2.564 8.492 292 H SER 46 HN SER 46 2.710 -0.420 7.890 293 HA SER 46 HA SER 46 3.480 -3.233 7.691 294 HB2 SER 46 3HB SER 46 2.314 -2.744 9.807 295 HB3 SER 46 2HB SER 46 0.955 -2.084 8.903 296 HG SER 46 HG SER 46 1.095 -4.474 9.678 297 H ASP 47 HN ASP 47 2.747 -4.311 5.989 298 HA ASP 47 HA ASP 47 1.482 -3.195 3.799 299 HB2 ASP 47 3HB ASP 47 2.874 -5.177 3.659 300 HB3 ASP 47 2HB ASP 47 1.732 -6.084 4.644 301 H ALA 48 HN ALA 48 0.048 -4.820 6.612 302 HA ALA 48 HA ALA 48 -2.404 -5.394 5.529 303 HB1 ALA 48 1HB ALA 48 -1.619 -6.308 7.648 304 HB2 ALA 48 2HB ALA 48 -3.204 -5.553 7.826 305 HB3 ALA 48 3HB ALA 48 -1.758 -4.714 8.387 306 H GLN 49 HN GLN 49 -1.061 -2.363 6.287 307 HA GLN 49 HA GLN 49 -3.475 -1.023 7.012 308 HB2 GLN 49 3HB GLN 49 -0.893 0.210 6.042 309 HB3 GLN 49 2HB GLN 49 -2.179 1.012 6.929 310 HG2 GLN 49 3HG GLN 49 -1.729 -0.495 8.840 311 HG3 GLN 49 2HG GLN 49 -0.361 -1.147 7.946 312 HE21 GLN 49 1HE2 GLN 49 -1.398 2.214 8.016 313 HE22 GLN 49 2HE2 GLN 49 0.006 2.820 8.829 314 H CYS 50 HN CYS 50 -1.500 -1.315 4.071 315 HA CYS 50 HA CYS 50 -3.419 0.281 2.604 316 HB2 CYS 50 3HB CYS 50 -0.906 -1.143 1.785 317 HB3 CYS 50 2HB CYS 50 -1.990 -0.426 0.602 318 H ARG 51 HN ARG 51 -2.603 -3.112 3.010 319 HA ARG 51 HA ARG 51 -4.431 -4.233 1.259 320 HB2 ARG 51 3HB ARG 51 -3.544 -5.073 4.004 321 HB3 ARG 51 2HB ARG 51 -4.719 -6.009 3.100 322 HG2 ARG 51 3HG ARG 51 -1.845 -5.492 2.469 323 HG3 ARG 51 2HG ARG 51 -2.686 -7.035 2.644 324 HD2 ARG 51 3HD ARG 51 -3.012 -5.032 0.424 325 HD3 ARG 51 2HD ARG 51 -2.248 -6.616 0.314 326 HE ARG 51 HE ARG 51 -4.872 -6.979 1.207 327 HH11 ARG 51 1HH1 ARG 51 -3.162 -5.949 -1.665 328 HH12 ARG 51 2HH1 ARG 51 -4.450 -6.390 -2.745 329 HH21 ARG 51 1HH2 ARG 51 -6.572 -7.543 -0.192 330 HH22 ARG 51 2HH2 ARG 51 -6.403 -7.288 -1.900 331 H ALA 52 HN ALA 52 -5.053 -3.328 4.654 332 HA ALA 52 HA ALA 52 -7.845 -3.759 4.479 333 HB1 ALA 52 1HB ALA 52 -7.994 -2.606 6.604 334 HB2 ALA 52 2HB ALA 52 -6.357 -1.978 6.403 335 HB3 ALA 52 3HB ALA 52 -6.619 -3.709 6.609 336 H ARG 53 HN ARG 53 -5.812 -1.174 3.469 337 HA ARG 53 HA ARG 53 -7.884 0.824 3.523 338 HB2 ARG 53 3HB ARG 53 -5.540 1.482 3.738 339 HB3 ARG 53 2HB ARG 53 -5.206 0.850 2.134 340 HG2 ARG 53 3HG ARG 53 -5.389 3.273 2.113 341 HG3 ARG 53 2HG ARG 53 -6.659 2.528 1.145 342 HD2 ARG 53 3HD ARG 53 -8.156 2.755 3.170 343 HD3 ARG 53 2HD ARG 53 -6.893 3.760 3.880 344 HE ARG 53 HE ARG 53 -7.328 4.894 1.450 345 HH11 ARG 53 1HH1 ARG 53 -9.370 4.098 4.173 346 HH12 ARG 53 2HH1 ARG 53 -10.545 5.319 3.813 347 HH21 ARG 53 1HH2 ARG 53 -8.861 6.512 0.974 348 HH22 ARG 53 2HH2 ARG 53 -10.254 6.704 1.994 349 H GLY 54 HN GLY 54 -7.181 -1.749 1.463 350 HA2 GLY 54 2HA GLY 54 -8.282 -2.360 -0.506 351 HA3 GLY 54 1HA GLY 54 -9.071 -0.789 -0.513 352 H CYS 55 HN CYS 55 -5.760 -0.592 -0.033 353 HA CYS 55 HA CYS 55 -5.368 0.582 -2.625 354 HB2 CYS 55 3HB CYS 55 -3.584 0.314 -0.217 355 HB3 CYS 55 2HB CYS 55 -2.981 0.930 -1.759 356 H ASP 56 HN ASP 56 -2.803 -1.556 -1.369 357 HA ASP 56 HA ASP 56 -3.587 -3.833 -2.773 358 HB2 ASP 56 3HB ASP 56 -3.083 -2.498 -4.789 359 HB3 ASP 56 2HB ASP 56 -1.456 -2.206 -4.189 360 H GLY 57 HN GLY 57 -0.502 -2.006 -2.087 361 HA2 GLY 57 2HA GLY 57 -0.077 -3.781 0.128 362 HA3 GLY 57 1HA GLY 57 0.947 -4.176 -1.240 363 H CYS 58 HN CYS 58 2.036 -3.525 1.108 364 HA CYS 58 HA CYS 58 3.100 -0.826 0.661 365 HB2 CYS 58 3HB CYS 58 3.136 -2.544 3.165 366 HB3 CYS 58 2HB CYS 58 3.870 -0.947 3.014 367 H SER 59 HN SER 59 5.111 -0.683 -0.110 368 HA SER 59 HA SER 59 6.307 -3.206 -0.861 369 HB2 SER 59 3HB SER 59 5.973 -1.359 -2.509 370 HB3 SER 59 2HB SER 59 7.154 -0.398 -1.621 371 HG SER 59 HG SER 59 7.762 -1.874 -3.553 372 H THR 60 HN THR 60 8.820 -3.265 -0.876 373 HA THR 60 HA THR 60 9.861 -3.517 1.627 374 HB THR 60 HB THR 60 11.866 -2.378 -0.210 375 HG1 THR 60 1HG THR 60 11.281 -4.712 -1.301 376 HG21 THR 60 1HG2 THR 60 12.419 -3.755 1.741 377 HG22 THR 60 2HG2 THR 60 12.948 -4.525 0.247 378 HG23 THR 60 3HG2 THR 60 11.494 -5.095 1.065 379 H SER 61 HN SER 61 9.576 -0.364 -0.016 380 HA SER 61 HA SER 61 11.347 0.891 1.869 381 HB2 SER 61 3HB SER 61 10.675 2.958 0.478 382 HB3 SER 61 2HB SER 61 11.630 1.703 -0.312 383 HG SER 61 HG SER 61 9.766 2.457 -1.521 384 H GLY 62 HN GLY 62 8.298 -0.092 2.191 385 HA2 GLY 62 2HA GLY 62 6.737 0.409 3.808 386 HA3 GLY 62 1HA GLY 62 7.815 1.668 4.387 387 H VAL 63 HN VAL 63 6.422 1.352 1.171 388 HA VAL 63 HA VAL 63 4.925 3.846 1.633 389 HB VAL 63 HB VAL 63 5.283 4.409 -0.760 390 HG11 VAL 63 1HG1 VAL 63 7.632 5.041 -0.587 391 HG12 VAL 63 2HG1 VAL 63 7.826 3.948 0.784 392 HG13 VAL 63 3HG1 VAL 63 6.763 5.350 0.916 393 HG21 VAL 63 1HG2 VAL 63 5.623 2.111 -1.586 394 HG22 VAL 63 2HG2 VAL 63 7.198 2.084 -0.795 395 HG23 VAL 63 3HG2 VAL 63 6.890 3.219 -2.105 396 H CYS 64 HN CYS 64 3.038 4.063 -0.031 397 HA CYS 64 HA CYS 64 1.669 1.452 -0.027 398 HB2 CYS 64 3HB CYS 64 0.571 3.649 1.006 399 HB3 CYS 64 2HB CYS 64 0.242 4.016 -0.677 400 H VAL 65 HN VAL 65 1.104 0.490 -1.872 401 HA VAL 65 HA VAL 65 1.335 1.783 -4.451 402 HB VAL 65 HB VAL 65 3.245 0.516 -5.263 403 HG11 VAL 65 1HG1 VAL 65 3.944 1.837 -2.663 404 HG12 VAL 65 2HG1 VAL 65 3.810 2.630 -4.236 405 HG13 VAL 65 3HG1 VAL 65 5.082 1.440 -3.951 406 HG21 VAL 65 1HG2 VAL 65 2.773 -1.443 -3.735 407 HG22 VAL 65 2HG2 VAL 65 3.688 -0.579 -2.505 408 HG23 VAL 65 3HG2 VAL 65 4.469 -1.052 -4.010 409 H LEU 66 HN LEU 66 1.203 0.032 -6.222 410 HA LEU 66 HA LEU 66 -0.151 -2.388 -5.487 411 HB2 LEU 66 3HB LEU 66 1.426 -1.768 -7.995 412 HB3 LEU 66 2HB LEU 66 0.257 -3.059 -7.795 413 HG LEU 66 HG LEU 66 -0.408 -0.113 -7.720 414 HD11 LEU 66 1HD1 LEU 66 0.317 -0.813 -9.937 415 HD12 LEU 66 2HD1 LEU 66 -1.416 -0.490 -9.910 416 HD13 LEU 66 3HD1 LEU 66 -0.828 -2.152 -9.898 417 HD21 LEU 66 1HD2 LEU 66 -1.945 -1.457 -6.403 418 HD22 LEU 66 2HD2 LEU 66 -2.171 -2.561 -7.760 419 HD23 LEU 66 3HD2 LEU 66 -2.727 -0.891 -7.877 420 H SER 67 HN SER 67 0.983 -3.824 -4.162 421 HA SER 67 HA SER 67 3.709 -3.411 -3.593 422 HB2 SER 67 3HB SER 67 3.293 -5.979 -2.743 423 HB3 SER 67 2HB SER 67 2.830 -4.538 -1.847 424 HG SER 67 HG SER 67 0.994 -5.369 -3.734 425 H SER 68 HN SER 68 5.528 -5.085 -3.875 426 HA SER 68 HA SER 68 5.577 -5.714 -6.705 427 HB2 SER 68 3HB SER 68 8.057 -6.251 -6.018 428 HB3 SER 68 2HB SER 68 7.510 -4.579 -6.137 429 HG SER 68 HG SER 68 8.366 -4.565 -4.178 430 H LEU 69 HN LEU 69 3.942 -7.483 -6.176 431 HA LEU 69 HA LEU 69 5.487 -9.963 -5.883 432 HB2 LEU 69 3HB LEU 69 3.782 -11.049 -4.636 433 HB3 LEU 69 2HB LEU 69 4.112 -9.531 -3.827 434 HG LEU 69 HG LEU 69 1.814 -9.793 -5.749 435 HD11 LEU 69 1HD1 LEU 69 0.387 -10.201 -3.772 436 HD12 LEU 69 2HD1 LEU 69 1.846 -10.452 -2.814 437 HD13 LEU 69 3HD1 LEU 69 1.467 -11.540 -4.148 438 HD21 LEU 69 1HD2 LEU 69 2.513 -7.547 -5.080 439 HD22 LEU 69 2HD2 LEU 69 2.316 -7.995 -3.386 440 HD23 LEU 69 3HD2 LEU 69 0.915 -7.949 -4.455 441 H HIS 70 HN HIS 70 4.716 -11.735 -7.108 442 HA HIS 70 HA HIS 70 2.731 -10.994 -9.157 443 HB2 HIS 70 3HB HIS 70 3.890 -12.619 -10.679 444 HB3 HIS 70 2HB HIS 70 4.831 -11.190 -10.279 445 HD1 HIS 70 1HD HIS 70 4.718 -14.901 -9.740 446 HD2 HIS 70 2HD HIS 70 7.164 -11.662 -8.844 447 HE1 HIS 70 1HE HIS 70 6.868 -15.885 -8.892 448 HE2 HIS 70 2HE HIS 70 8.388 -13.915 -8.532 449 H HIS 71 HN HIS 71 2.807 -12.548 -6.459 450 HA HIS 71 HA HIS 71 0.586 -14.180 -7.141 451 HB2 HIS 71 3HB HIS 71 2.596 -15.637 -7.781 452 HB3 HIS 71 2HB HIS 71 2.933 -15.738 -6.056 453 HD1 HIS 71 1HD HIS 71 1.938 -17.735 -4.974 454 HD2 HIS 71 2HD HIS 71 -0.246 -16.528 -8.298 455 HE1 HIS 71 1HE HIS 71 0.100 -19.429 -5.228 456 HE2 HIS 71 2HE HIS 71 -1.155 -18.730 -7.298 457 H HIS 72 HN HIS 72 3.136 -14.340 -4.656 458 HA HIS 72 HA HIS 72 1.750 -12.852 -2.721 459 HB2 HIS 72 3HB HIS 72 0.221 -14.821 -2.739 460 HB3 HIS 72 2HB HIS 72 1.577 -15.841 -2.279 461 HD1 HIS 72 1HD HIS 72 -0.625 -13.097 -0.927 462 HD2 HIS 72 2HD HIS 72 2.194 -15.840 0.418 463 HE1 HIS 72 1HE HIS 72 -0.739 -13.009 1.580 464 HE2 HIS 72 2HE HIS 72 0.859 -14.787 2.366 465 H HIS 73 HN HIS 73 3.622 -15.883 -2.678 466 HA HIS 73 HA HIS 73 6.021 -14.478 -1.937 467 HB2 HIS 73 3HB HIS 73 4.726 -14.778 0.235 468 HB3 HIS 73 2HB HIS 73 4.941 -16.512 0.024 469 HD1 HIS 73 1HD HIS 73 6.831 -13.381 0.842 470 HD2 HIS 73 2HD HIS 73 7.496 -17.477 0.601 471 HE1 HIS 73 1HE HIS 73 9.071 -13.766 1.911 472 HE2 HIS 73 2HE HIS 73 9.514 -16.227 1.630 473 H HIS 74 HN HIS 74 6.272 -15.538 -4.076 474 HA HIS 74 HA HIS 74 7.552 -18.108 -3.803 475 HB2 HIS 74 3HB HIS 74 5.148 -18.700 -4.112 476 HB3 HIS 74 2HB HIS 74 5.163 -17.838 -5.644 477 HD1 HIS 74 1HD HIS 74 6.015 -21.073 -4.090 478 HD2 HIS 74 2HD HIS 74 6.719 -19.116 -7.691 479 HE1 HIS 74 1HE HIS 74 6.825 -22.844 -5.677 480 HE2 HIS 74 2HE HIS 74 7.393 -21.610 -7.796 481 H HIS 75 HN HIS 75 9.192 -18.276 -5.217 482 HA HIS 75 HA HIS 75 9.491 -16.154 -7.207 483 HB2 HIS 75 3HB HIS 75 11.472 -18.157 -6.100 484 HB3 HIS 75 2HB HIS 75 11.854 -16.983 -7.353 485 HD1 HIS 75 1HD HIS 75 12.985 -17.235 -4.295 486 HD2 HIS 75 2HD HIS 75 10.380 -14.398 -5.847 487 HE1 HIS 75 1HE HIS 75 13.218 -15.221 -2.810 488 HE2 HIS 75 2HE HIS 75 11.493 -13.592 -3.663 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -16.661 12.965 -17.563 2 H2 MET 1 2HT MET 1 -15.109 12.903 -16.900 3 H3 MET 1 3HT MET 1 -15.625 14.290 -17.711 4 HA MET 1 HA MET 1 -15.657 14.648 -15.347 5 HB2 MET 1 3HB MET 1 -18.376 14.448 -16.647 6 HB3 MET 1 2HB MET 1 -18.071 15.284 -15.131 7 HG2 MET 1 3HG MET 1 -16.837 15.971 -17.790 8 HG3 MET 1 2HG MET 1 -18.178 16.821 -17.025 9 HE1 MET 1 1HE MET 1 -17.295 16.850 -13.948 10 HE2 MET 1 2HE MET 1 -17.990 18.210 -14.827 11 HE3 MET 1 3HE MET 1 -16.507 18.428 -13.900 12 H CYS 2 HN CYS 2 -17.498 11.817 -16.359 13 HA CYS 2 HA CYS 2 -17.384 10.836 -13.610 14 HB2 CYS 2 3HB CYS 2 -19.769 10.032 -13.871 15 HB3 CYS 2 2HB CYS 2 -19.575 11.769 -13.686 16 HG CYS 2 HG CYS 2 -21.272 10.239 -15.919 17 H GLU 3 HN GLU 3 -17.116 8.648 -13.439 18 HA GLU 3 HA GLU 3 -16.831 7.165 -15.961 19 HB2 GLU 3 3HB GLU 3 -14.876 7.324 -14.365 20 HB3 GLU 3 2HB GLU 3 -15.816 6.372 -13.225 21 HG2 GLU 3 3HG GLU 3 -14.308 4.921 -14.362 22 HG3 GLU 3 2HG GLU 3 -15.942 4.567 -14.922 23 H PHE 4 HN PHE 4 -17.961 6.723 -12.611 24 HA PHE 4 HA PHE 4 -20.268 5.221 -13.650 25 HB2 PHE 4 3HB PHE 4 -18.307 3.705 -12.826 26 HB3 PHE 4 2HB PHE 4 -18.784 4.232 -11.217 27 HD1 PHE 4 1HD PHE 4 -20.195 2.734 -14.310 28 HD2 PHE 4 2HD PHE 4 -20.405 3.050 -10.078 29 HE1 PHE 4 1HE PHE 4 -21.913 0.979 -14.273 30 HE2 PHE 4 2HE PHE 4 -22.132 1.297 -10.030 31 HZ PHE 4 HZ PHE 4 -22.888 0.257 -12.129 32 H ILE 5 HN ILE 5 -21.997 6.214 -12.868 33 HA ILE 5 HA ILE 5 -21.647 8.320 -10.942 34 HB ILE 5 HB ILE 5 -23.155 8.388 -13.053 35 HG12 ILE 5 3HG1 ILE 5 -24.215 9.494 -10.450 36 HG13 ILE 5 2HG1 ILE 5 -22.860 10.173 -11.345 37 HG21 ILE 5 1HG2 ILE 5 -24.976 6.987 -11.115 38 HG22 ILE 5 2HG2 ILE 5 -24.705 6.633 -12.823 39 HG23 ILE 5 3HG2 ILE 5 -25.611 8.063 -12.354 40 HD11 ILE 5 1HD1 ILE 5 -24.331 10.628 -13.233 41 HD12 ILE 5 2HD1 ILE 5 -24.903 11.410 -11.759 42 HD13 ILE 5 3HD1 ILE 5 -25.689 9.941 -12.341 43 H GLU 6 HN GLU 6 -21.276 5.735 -9.850 44 HA GLU 6 HA GLU 6 -23.588 5.161 -8.174 45 HB2 GLU 6 3HB GLU 6 -22.142 3.359 -9.074 46 HB3 GLU 6 2HB GLU 6 -20.794 3.998 -8.150 47 HG2 GLU 6 3HG GLU 6 -22.015 3.515 -6.077 48 HG3 GLU 6 2HG GLU 6 -23.330 2.828 -7.033 49 H ASP 7 HN ASP 7 -20.904 7.153 -8.175 50 HA ASP 7 HA ASP 7 -20.171 7.200 -5.438 51 HB2 ASP 7 3HB ASP 7 -18.933 9.231 -6.040 52 HB3 ASP 7 2HB ASP 7 -18.683 7.961 -7.236 53 H SER 8 HN SER 8 -22.840 8.508 -7.077 54 HA SER 8 HA SER 8 -23.186 10.951 -5.729 55 HB2 SER 8 3HB SER 8 -25.354 9.207 -6.902 56 HB3 SER 8 2HB SER 8 -25.406 10.953 -6.658 57 HG SER 8 HG SER 8 -23.360 10.770 -8.094 58 H GLU 9 HN GLU 9 -23.700 7.723 -4.686 59 HA GLU 9 HA GLU 9 -25.778 8.233 -2.803 60 HB2 GLU 9 3HB GLU 9 -23.751 5.994 -2.830 61 HB3 GLU 9 2HB GLU 9 -25.251 6.022 -1.914 62 HG2 GLU 9 3HG GLU 9 -26.518 6.068 -4.003 63 HG3 GLU 9 2HG GLU 9 -25.010 6.023 -4.914 64 H ASP 10 HN ASP 10 -22.260 8.231 -2.651 65 HA ASP 10 HA ASP 10 -22.355 8.861 0.204 66 HB2 ASP 10 3HB ASP 10 -20.683 7.196 -0.767 67 HB3 ASP 10 2HB ASP 10 -19.882 8.579 -1.507 68 H ILE 11 HN ILE 11 -23.036 10.933 0.365 69 HA ILE 11 HA ILE 11 -22.416 12.949 -1.516 70 HB ILE 11 HB ILE 11 -23.407 13.294 1.318 71 HG12 ILE 11 3HG1 ILE 11 -24.918 13.031 -1.293 72 HG13 ILE 11 2HG1 ILE 11 -24.845 11.815 -0.023 73 HG21 ILE 11 1HG2 ILE 11 -23.502 15.155 -1.058 74 HG22 ILE 11 2HG2 ILE 11 -22.551 15.375 0.410 75 HG23 ILE 11 3HG2 ILE 11 -24.311 15.433 0.484 76 HD11 ILE 11 1HD1 ILE 11 -26.002 13.328 1.493 77 HD12 ILE 11 2HD1 ILE 11 -26.942 13.037 0.028 78 HD13 ILE 11 3HD1 ILE 11 -26.064 14.554 0.227 79 H GLN 12 HN GLN 12 -20.819 11.907 1.418 80 HA GLN 12 HA GLN 12 -19.265 14.269 1.771 81 HB2 GLN 12 3HB GLN 12 -18.901 11.467 2.825 82 HB3 GLN 12 2HB GLN 12 -17.813 12.796 3.199 83 HG2 GLN 12 3HG GLN 12 -19.510 13.979 4.346 84 HG3 GLN 12 2HG GLN 12 -20.765 12.899 3.751 85 HE21 GLN 12 1HE2 GLN 12 -17.662 11.761 4.912 86 HE22 GLN 12 2HE2 GLN 12 -18.272 10.999 6.346 87 H GLY 13 HN GLY 13 -18.717 11.190 0.117 88 HA2 GLY 13 2HA GLY 13 -16.068 12.024 -0.725 89 HA3 GLY 13 1HA GLY 13 -16.877 10.523 -1.142 90 H LEU 14 HN LEU 14 -19.221 12.522 -1.827 91 HA LEU 14 HA LEU 14 -18.959 12.311 -4.601 92 HB2 LEU 14 3HB LEU 14 -21.044 12.674 -3.111 93 HB3 LEU 14 2HB LEU 14 -20.669 14.378 -3.251 94 HG LEU 14 HG LEU 14 -21.135 12.624 -5.660 95 HD11 LEU 14 1HD1 LEU 14 -23.110 12.559 -4.229 96 HD12 LEU 14 2HD1 LEU 14 -23.412 13.495 -5.693 97 HD13 LEU 14 3HD1 LEU 14 -23.124 14.320 -4.162 98 HD21 LEU 14 1HD2 LEU 14 -21.602 14.757 -6.764 99 HD22 LEU 14 2HD2 LEU 14 -19.972 14.731 -6.090 100 HD23 LEU 14 3HD2 LEU 14 -21.255 15.613 -5.263 101 H LYS 15 HN LYS 15 -18.447 15.094 -2.447 102 HA LYS 15 HA LYS 15 -17.459 16.664 -4.684 103 HB2 LYS 15 3HB LYS 15 -17.338 18.532 -3.192 104 HB3 LYS 15 2HB LYS 15 -18.870 17.725 -2.917 105 HG2 LYS 15 3HG LYS 15 -16.543 17.047 -1.180 106 HG3 LYS 15 2HG LYS 15 -17.402 18.562 -0.923 107 HD2 LYS 15 3HD LYS 15 -18.726 15.854 -0.987 108 HD3 LYS 15 2HD LYS 15 -18.209 16.672 0.487 109 HE2 LYS 15 3HE LYS 15 -20.242 17.671 -1.504 110 HE3 LYS 15 2HE LYS 15 -20.577 17.041 0.105 111 HZ1 LYS 15 1HZ LYS 15 -19.388 18.890 1.064 112 HZ2 LYS 15 2HZ LYS 15 -20.596 19.471 0.035 113 HZ3 LYS 15 3HZ LYS 15 -18.982 19.481 -0.468 114 H SER 16 HN SER 16 -16.126 14.221 -3.376 115 HA SER 16 HA SER 16 -13.480 15.471 -3.113 116 HB2 SER 16 3HB SER 16 -14.447 14.592 -0.929 117 HB3 SER 16 2HB SER 16 -14.344 12.979 -1.631 118 HG SER 16 HG SER 16 -12.253 12.979 -1.341 119 H LEU 17 HN LEU 17 -15.174 14.056 -5.267 120 HA LEU 17 HA LEU 17 -13.337 11.863 -5.877 121 HB2 LEU 17 3HB LEU 17 -15.761 11.369 -5.872 122 HB3 LEU 17 2HB LEU 17 -15.981 12.540 -7.159 123 HG LEU 17 HG LEU 17 -14.543 11.160 -8.631 124 HD11 LEU 17 1HD1 LEU 17 -14.016 8.858 -7.943 125 HD12 LEU 17 2HD1 LEU 17 -14.603 9.225 -6.320 126 HD13 LEU 17 3HD1 LEU 17 -13.187 10.061 -6.956 127 HD21 LEU 17 1HD2 LEU 17 -16.901 9.733 -7.410 128 HD22 LEU 17 2HD2 LEU 17 -16.165 9.348 -8.966 129 HD23 LEU 17 3HD2 LEU 17 -16.952 10.907 -8.724 130 H ARG 18 HN ARG 18 -14.143 15.040 -6.799 131 HA ARG 18 HA ARG 18 -13.428 14.996 -9.514 132 HB2 ARG 18 3HB ARG 18 -14.634 16.881 -8.588 133 HB3 ARG 18 2HB ARG 18 -13.292 17.253 -7.514 134 HG2 ARG 18 3HG ARG 18 -11.893 17.803 -9.413 135 HG3 ARG 18 2HG ARG 18 -13.196 17.373 -10.517 136 HD2 ARG 18 3HD ARG 18 -14.574 19.163 -9.610 137 HD3 ARG 18 2HD ARG 18 -13.301 19.573 -8.461 138 HE ARG 18 HE ARG 18 -12.297 19.646 -11.102 139 HH11 ARG 18 1HH1 ARG 18 -14.338 21.449 -8.907 140 HH12 ARG 18 2HH1 ARG 18 -14.032 22.973 -9.673 141 HH21 ARG 18 1HH2 ARG 18 -11.889 21.648 -12.115 142 HH22 ARG 18 2HH2 ARG 18 -12.635 23.088 -11.499 143 H LYS 19 HN LYS 19 -11.526 15.982 -6.701 144 HA LYS 19 HA LYS 19 -9.124 16.317 -8.197 145 HB2 LYS 19 3HB LYS 19 -9.733 17.461 -6.016 146 HB3 LYS 19 2HB LYS 19 -9.368 15.945 -5.209 147 HG2 LYS 19 3HG LYS 19 -7.490 17.440 -5.035 148 HG3 LYS 19 2HG LYS 19 -7.062 16.071 -6.064 149 HD2 LYS 19 3HD LYS 19 -7.405 17.416 -8.049 150 HD3 LYS 19 2HD LYS 19 -7.955 18.775 -7.068 151 HE2 LYS 19 3HE LYS 19 -5.639 19.072 -7.787 152 HE3 LYS 19 2HE LYS 19 -5.755 18.929 -6.034 153 HZ1 LYS 19 1HZ LYS 19 -3.918 17.640 -6.987 154 HZ2 LYS 19 2HZ LYS 19 -5.020 16.710 -7.862 155 HZ3 LYS 19 3HZ LYS 19 -5.026 16.660 -6.171 156 H SER 20 HN SER 20 -10.746 13.611 -7.044 157 HA SER 20 HA SER 20 -8.319 12.029 -6.661 158 HB2 SER 20 3HB SER 20 -11.199 11.166 -6.273 159 HB3 SER 20 2HB SER 20 -9.748 10.321 -5.730 160 HG SER 20 HG SER 20 -11.123 12.162 -4.427 161 H HIS 21 HN HIS 21 -10.966 12.436 -8.983 162 HA HIS 21 HA HIS 21 -10.309 9.938 -10.268 163 HB2 HIS 21 3HB HIS 21 -12.048 10.422 -11.881 164 HB3 HIS 21 2HB HIS 21 -12.646 10.668 -10.252 165 HD1 HIS 21 1HD HIS 21 -14.511 12.239 -10.864 166 HD2 HIS 21 2HD HIS 21 -10.817 13.529 -12.272 167 HE1 HIS 21 1HE HIS 21 -14.890 14.565 -11.729 168 HE2 HIS 21 2HE HIS 21 -12.615 15.383 -12.429 169 H THR 22 HN THR 22 -8.802 12.814 -10.204 170 HA THR 22 HA THR 22 -7.908 13.489 -12.713 171 HB THR 22 HB THR 22 -5.833 12.880 -10.598 172 HG1 THR 22 1HG THR 22 -6.773 14.288 -9.307 173 HG21 THR 22 1HG2 THR 22 -6.176 15.130 -12.589 174 HG22 THR 22 2HG2 THR 22 -5.075 13.763 -12.755 175 HG23 THR 22 3HG2 THR 22 -4.834 14.938 -11.463 176 H SER 23 HN SER 23 -6.968 10.409 -11.091 177 HA SER 23 HA SER 23 -5.338 9.612 -13.310 178 HB2 SER 23 3HB SER 23 -5.549 7.362 -11.938 179 HB3 SER 23 2HB SER 23 -4.566 8.697 -11.333 180 HG SER 23 HG SER 23 -6.840 7.595 -10.290 181 H LEU 24 HN LEU 24 -7.319 10.101 -14.767 182 HA LEU 24 HA LEU 24 -9.088 7.755 -14.869 183 HB2 LEU 24 3HB LEU 24 -10.743 9.040 -15.907 184 HB3 LEU 24 2HB LEU 24 -10.111 10.058 -14.633 185 HG LEU 24 HG LEU 24 -9.323 10.321 -17.539 186 HD11 LEU 24 1HD1 LEU 24 -10.807 12.259 -17.584 187 HD12 LEU 24 2HD1 LEU 24 -11.334 11.898 -15.940 188 HD13 LEU 24 3HD1 LEU 24 -11.698 10.775 -17.249 189 HD21 LEU 24 1HD2 LEU 24 -8.907 12.132 -15.161 190 HD22 LEU 24 2HD2 LEU 24 -8.520 12.538 -16.832 191 HD23 LEU 24 3HD2 LEU 24 -7.661 11.230 -16.022 192 H GLU 25 HN GLU 25 -6.356 8.913 -16.275 193 HA GLU 25 HA GLU 25 -6.977 8.134 -18.993 194 HB2 GLU 25 3HB GLU 25 -5.428 10.029 -18.428 195 HB3 GLU 25 2HB GLU 25 -4.288 8.842 -17.811 196 HG2 GLU 25 3HG GLU 25 -3.710 9.548 -20.065 197 HG3 GLU 25 2HG GLU 25 -4.117 7.833 -20.015 198 H ASP 26 HN ASP 26 -5.831 6.671 -16.134 199 HA ASP 26 HA ASP 26 -4.727 4.427 -17.672 200 HB2 ASP 26 3HB ASP 26 -3.452 3.810 -15.729 201 HB3 ASP 26 2HB ASP 26 -3.168 5.504 -16.078 202 H ASP 27 HN ASP 27 -5.196 2.323 -17.036 203 HA ASP 27 HA ASP 27 -7.941 2.044 -16.105 204 HB2 ASP 27 3HB ASP 27 -7.149 0.998 -18.260 205 HB3 ASP 27 2HB ASP 27 -6.150 -0.081 -17.294 206 H ASP 28 HN ASP 28 -4.965 1.985 -14.773 207 HA ASP 28 HA ASP 28 -5.237 -0.316 -13.073 208 HB2 ASP 28 3HB ASP 28 -3.308 1.995 -12.854 209 HB3 ASP 28 2HB ASP 28 -3.222 0.507 -11.923 210 H ASP 29 HN ASP 29 -6.006 3.012 -12.973 211 HA ASP 29 HA ASP 29 -7.121 2.674 -10.267 212 HB2 ASP 29 3HB ASP 29 -5.391 4.530 -10.725 213 HB3 ASP 29 2HB ASP 29 -6.667 5.324 -11.636 214 H GLY 30 HN GLY 30 -8.464 1.509 -12.273 215 HA2 GLY 30 2HA GLY 30 -10.445 3.308 -13.402 216 HA3 GLY 30 1HA GLY 30 -10.323 1.578 -13.677 217 H SER 31 HN SER 31 -10.104 2.116 -10.429 218 HA SER 31 HA SER 31 -12.690 1.022 -9.907 219 HB2 SER 31 3HB SER 31 -10.687 2.167 -7.949 220 HB3 SER 31 2HB SER 31 -11.989 1.034 -7.590 221 HG SER 31 HG SER 31 -10.862 -0.569 -8.432 222 H ARG 32 HN ARG 32 -12.028 3.975 -10.872 223 HA ARG 32 HA ARG 32 -13.077 5.772 -8.996 224 HB2 ARG 32 3HB ARG 32 -12.764 5.820 -11.978 225 HB3 ARG 32 2HB ARG 32 -13.582 7.134 -11.150 226 HG2 ARG 32 3HG ARG 32 -11.643 7.758 -9.989 227 HG3 ARG 32 2HG ARG 32 -10.825 6.243 -10.370 228 HD2 ARG 32 3HD ARG 32 -11.679 8.189 -12.495 229 HD3 ARG 32 2HD ARG 32 -10.119 8.307 -11.684 230 HE ARG 32 HE ARG 32 -9.502 6.211 -12.634 231 HH11 ARG 32 1HH1 ARG 32 -12.533 7.470 -13.847 232 HH12 ARG 32 2HH1 ARG 32 -12.485 6.541 -15.317 233 HH21 ARG 32 1HH2 ARG 32 -9.404 5.021 -14.576 234 HH22 ARG 32 2HH2 ARG 32 -10.679 5.170 -15.742 235 H GLY 33 HN GLY 33 -15.084 5.746 -8.149 236 HA2 GLY 33 2HA GLY 33 -17.430 6.290 -9.137 237 HA3 GLY 33 1HA GLY 33 -17.273 4.661 -9.776 238 H GLY 34 HN GLY 34 -15.717 4.060 -7.166 239 HA2 GLY 34 2HA GLY 34 -17.426 4.375 -4.988 240 HA3 GLY 34 1HA GLY 34 -17.909 2.904 -5.811 241 H ASP 35 HN ASP 35 -14.937 2.582 -6.579 242 HA ASP 35 HA ASP 35 -14.078 1.577 -3.943 243 HB2 ASP 35 3HB ASP 35 -14.880 -0.192 -5.600 244 HB3 ASP 35 2HB ASP 35 -13.455 0.196 -6.558 245 H CYS 36 HN CYS 36 -13.488 4.043 -5.544 246 HA CYS 36 HA CYS 36 -10.691 3.740 -6.228 247 HB2 CYS 36 3HB CYS 36 -11.060 6.359 -6.513 248 HB3 CYS 36 2HB CYS 36 -11.597 5.207 -7.731 249 HG CYS 36 HG CYS 36 -13.602 6.543 -5.298 250 H GLU 37 HN GLU 37 -9.717 3.258 -4.293 251 HA GLU 37 HA GLU 37 -9.504 5.514 -2.427 252 HB2 GLU 37 3HB GLU 37 -11.047 3.688 -1.579 253 HB3 GLU 37 2HB GLU 37 -9.651 2.625 -1.553 254 HG2 GLU 37 3HG GLU 37 -8.559 4.043 0.077 255 HG3 GLU 37 2HG GLU 37 -9.899 5.187 0.006 256 H GLY 38 HN GLY 38 -7.684 5.415 -4.267 257 HA2 GLY 38 2HA GLY 38 -5.490 3.645 -3.545 258 HA3 GLY 38 1HA GLY 38 -5.470 4.830 -4.846 259 H CYS 39 HN CYS 39 -4.550 4.131 -1.655 260 HA CYS 39 HA CYS 39 -4.148 6.897 -0.871 261 HB2 CYS 39 3HB CYS 39 -3.275 5.875 1.226 262 HB3 CYS 39 2HB CYS 39 -4.908 5.361 0.824 263 H SER 40 HN SER 40 -2.603 5.972 -3.190 264 HA SER 40 HA SER 40 -0.072 5.029 -2.310 265 HB2 SER 40 3HB SER 40 -0.788 4.443 -4.481 266 HB3 SER 40 2HB SER 40 -0.976 6.123 -4.971 267 HG SER 40 HG SER 40 1.338 4.571 -4.676 268 H GLY 41 HN GLY 41 1.979 6.119 -2.700 269 HA2 GLY 41 2HA GLY 41 3.291 8.131 -2.354 270 HA3 GLY 41 1HA GLY 41 1.778 9.007 -2.151 271 H THR 42 HN THR 42 0.907 6.695 -0.216 272 HA THR 42 HA THR 42 2.115 8.063 2.079 273 HB THR 42 HB THR 42 -0.416 7.617 1.877 274 HG1 THR 42 1HG THR 42 0.613 8.327 3.810 275 HG21 THR 42 1HG2 THR 42 0.529 4.892 2.763 276 HG22 THR 42 2HG2 THR 42 -0.391 5.277 1.306 277 HG23 THR 42 3HG2 THR 42 -1.132 5.468 2.895 278 H ALA 43 HN ALA 43 2.856 6.819 3.928 279 HA ALA 43 HA ALA 43 4.524 4.603 2.956 280 HB1 ALA 43 1HB ALA 43 6.047 5.170 4.757 281 HB2 ALA 43 2HB ALA 43 4.924 6.393 5.353 282 HB3 ALA 43 3HB ALA 43 5.699 6.599 3.784 283 H CYS 44 HN CYS 44 4.180 2.725 3.532 284 HA CYS 44 HA CYS 44 2.715 2.058 5.980 285 HB2 CYS 44 3HB CYS 44 2.709 -0.210 4.933 286 HB3 CYS 44 2HB CYS 44 1.883 1.029 3.985 287 H SER 45 HN SER 45 3.735 1.109 7.641 288 HA SER 45 HA SER 45 6.308 -0.178 7.170 289 HB2 SER 45 3HB SER 45 6.032 -0.799 9.645 290 HB3 SER 45 2HB SER 45 6.209 0.921 9.291 291 HG SER 45 HG SER 45 4.313 1.233 10.126 292 H SER 46 HN SER 46 2.907 -0.871 7.644 293 HA SER 46 HA SER 46 3.474 -3.729 7.294 294 HB2 SER 46 3HB SER 46 1.191 -4.069 8.286 295 HB3 SER 46 2HB SER 46 2.357 -3.335 9.387 296 HG SER 46 HG SER 46 1.195 -1.580 9.439 297 H ASP 47 HN ASP 47 2.502 -4.843 5.659 298 HA ASP 47 HA ASP 47 1.347 -3.551 3.462 299 HB2 ASP 47 3HB ASP 47 0.917 -5.779 2.588 300 HB3 ASP 47 2HB ASP 47 2.524 -5.685 3.295 301 H ALA 48 HN ALA 48 -0.220 -4.936 6.323 302 HA ALA 48 HA ALA 48 -2.665 -5.423 5.178 303 HB1 ALA 48 1HB ALA 48 -2.008 -6.327 7.337 304 HB2 ALA 48 2HB ALA 48 -3.536 -5.456 7.460 305 HB3 ALA 48 3HB ALA 48 -2.045 -4.707 8.032 306 H GLN 49 HN GLN 49 -1.241 -2.450 6.300 307 HA GLN 49 HA GLN 49 -3.775 -1.139 6.622 308 HB2 GLN 49 3HB GLN 49 -2.505 0.843 7.217 309 HB3 GLN 49 2HB GLN 49 -1.915 -0.556 8.100 310 HG2 GLN 49 3HG GLN 49 -0.015 -0.723 6.592 311 HG3 GLN 49 2HG GLN 49 -0.618 0.646 5.665 312 HE21 GLN 49 1HE2 GLN 49 -0.907 0.549 9.125 313 HE22 GLN 49 2HE2 GLN 49 0.274 1.769 9.456 314 H CYS 50 HN CYS 50 -1.604 -1.680 4.036 315 HA CYS 50 HA CYS 50 -2.658 0.614 2.526 316 HB2 CYS 50 3HB CYS 50 -0.839 -1.482 1.364 317 HB3 CYS 50 2HB CYS 50 -1.075 0.176 0.843 318 H ARG 51 HN ARG 51 -2.445 -2.895 2.367 319 HA ARG 51 HA ARG 51 -4.172 -3.469 0.333 320 HB2 ARG 51 3HB ARG 51 -3.044 -5.278 1.300 321 HB3 ARG 51 2HB ARG 51 -3.495 -4.815 2.934 322 HG2 ARG 51 3HG ARG 51 -4.663 -6.806 2.284 323 HG3 ARG 51 2HG ARG 51 -5.777 -5.449 2.482 324 HD2 ARG 51 3HD ARG 51 -5.888 -5.143 0.084 325 HD3 ARG 51 2HD ARG 51 -4.668 -6.391 -0.164 326 HE ARG 51 HE ARG 51 -6.949 -7.378 1.242 327 HH11 ARG 51 1HH1 ARG 51 -5.763 -6.534 -1.940 328 HH12 ARG 51 2HH1 ARG 51 -6.791 -7.663 -2.763 329 HH21 ARG 51 1HH2 ARG 51 -8.306 -8.865 0.166 330 HH22 ARG 51 2HH2 ARG 51 -8.241 -8.991 -1.564 331 H ALA 52 HN ALA 52 -4.964 -2.862 3.757 332 HA ALA 52 HA ALA 52 -7.781 -3.058 3.286 333 HB1 ALA 52 1HB ALA 52 -8.027 -2.292 5.585 334 HB2 ALA 52 2HB ALA 52 -6.312 -1.890 5.645 335 HB3 ALA 52 3HB ALA 52 -6.818 -3.570 5.474 336 H ARG 53 HN ARG 53 -5.416 -0.531 3.051 337 HA ARG 53 HA ARG 53 -7.455 1.515 3.092 338 HB2 ARG 53 3HB ARG 53 -5.134 1.785 4.127 339 HB3 ARG 53 2HB ARG 53 -4.576 2.011 2.478 340 HG2 ARG 53 3HG ARG 53 -4.885 4.159 3.462 341 HG3 ARG 53 2HG ARG 53 -6.157 3.919 2.264 342 HD2 ARG 53 3HD ARG 53 -6.527 3.409 5.210 343 HD3 ARG 53 2HD ARG 53 -6.891 4.950 4.438 344 HE ARG 53 HE ARG 53 -8.304 3.160 2.963 345 HH11 ARG 53 1HH1 ARG 53 -8.113 3.857 6.388 346 HH12 ARG 53 2HH1 ARG 53 -9.750 3.378 6.702 347 HH21 ARG 53 1HH2 ARG 53 -10.440 2.522 3.366 348 HH22 ARG 53 2HH2 ARG 53 -11.079 2.624 4.982 349 H GLY 54 HN GLY 54 -7.317 -0.508 0.936 350 HA2 GLY 54 2HA GLY 54 -8.155 -0.386 -1.209 351 HA3 GLY 54 1HA GLY 54 -8.081 1.363 -1.097 352 H CYS 55 HN CYS 55 -5.143 0.959 -0.299 353 HA CYS 55 HA CYS 55 -4.045 1.393 -2.843 354 HB2 CYS 55 3HB CYS 55 -2.807 0.887 -0.155 355 HB3 CYS 55 2HB CYS 55 -1.798 0.835 -1.598 356 H ASP 56 HN ASP 56 -2.794 -1.379 -0.906 357 HA ASP 56 HA ASP 56 -3.880 -3.514 -2.187 358 HB2 ASP 56 3HB ASP 56 -3.084 -2.622 -4.341 359 HB3 ASP 56 2HB ASP 56 -1.440 -2.598 -3.725 360 H GLY 57 HN GLY 57 -0.483 -2.313 -1.666 361 HA2 GLY 57 2HA GLY 57 -0.333 -3.892 0.732 362 HA3 GLY 57 1HA GLY 57 0.581 -4.591 -0.596 363 H CYS 58 HN CYS 58 1.980 -4.002 1.466 364 HA CYS 58 HA CYS 58 3.217 -1.393 1.134 365 HB2 CYS 58 3HB CYS 58 2.877 -2.655 3.387 366 HB3 CYS 58 2HB CYS 58 4.266 -3.610 2.884 367 H SER 59 HN SER 59 5.034 -1.074 -0.069 368 HA SER 59 HA SER 59 6.043 -3.379 -1.531 369 HB2 SER 59 3HB SER 59 7.352 -1.725 -2.801 370 HB3 SER 59 2HB SER 59 5.650 -1.272 -2.738 371 HG SER 59 HG SER 59 6.889 0.525 -2.284 372 H THR 60 HN THR 60 8.561 -3.465 -1.798 373 HA THR 60 HA THR 60 9.792 -3.736 0.717 374 HB THR 60 HB THR 60 11.939 -3.597 -0.809 375 HG1 THR 60 1HG THR 60 11.327 -2.980 -2.762 376 HG21 THR 60 1HG2 THR 60 9.846 -5.768 -0.998 377 HG22 THR 60 2HG2 THR 60 11.126 -5.642 0.208 378 HG23 THR 60 3HG2 THR 60 11.531 -5.945 -1.482 379 H SER 61 HN SER 61 8.854 -0.774 -0.379 380 HA SER 61 HA SER 61 11.240 0.503 0.693 381 HB2 SER 61 3HB SER 61 9.477 1.592 -1.501 382 HB3 SER 61 2HB SER 61 10.925 2.361 -0.848 383 HG SER 61 HG SER 61 10.677 0.114 -2.508 384 H GLY 62 HN GLY 62 8.614 -0.303 1.961 385 HA2 GLY 62 2HA GLY 62 7.179 0.545 3.516 386 HA3 GLY 62 1HA GLY 62 8.371 1.811 3.732 387 H VAL 63 HN VAL 63 6.387 1.151 0.859 388 HA VAL 63 HA VAL 63 4.812 3.545 1.459 389 HB VAL 63 HB VAL 63 4.832 4.089 -1.038 390 HG11 VAL 63 1HG1 VAL 63 7.377 4.415 0.544 391 HG12 VAL 63 2HG1 VAL 63 5.965 5.472 0.604 392 HG13 VAL 63 3HG1 VAL 63 6.922 5.360 -0.873 393 HG21 VAL 63 1HG2 VAL 63 5.809 1.984 -1.808 394 HG22 VAL 63 2HG2 VAL 63 7.304 2.375 -0.958 395 HG23 VAL 63 3HG2 VAL 63 6.770 3.375 -2.308 396 H CYS 64 HN CYS 64 2.769 3.623 0.191 397 HA CYS 64 HA CYS 64 1.680 0.890 0.310 398 HB2 CYS 64 3HB CYS 64 0.355 3.568 0.777 399 HB3 CYS 64 2HB CYS 64 -0.584 2.139 0.447 400 H VAL 65 HN VAL 65 1.229 -0.101 -1.476 401 HA VAL 65 HA VAL 65 0.759 1.329 -3.993 402 HB VAL 65 HB VAL 65 2.784 0.598 -5.027 403 HG11 VAL 65 1HG1 VAL 65 4.559 1.469 -3.588 404 HG12 VAL 65 2HG1 VAL 65 3.449 1.390 -2.214 405 HG13 VAL 65 3HG1 VAL 65 3.122 2.493 -3.552 406 HG21 VAL 65 1HG2 VAL 65 2.601 -1.677 -3.773 407 HG22 VAL 65 2HG2 VAL 65 3.677 -0.908 -2.599 408 HG23 VAL 65 3HG2 VAL 65 4.187 -1.086 -4.276 409 H LEU 66 HN LEU 66 0.967 -0.542 -5.838 410 HA LEU 66 HA LEU 66 -0.353 -2.949 -5.095 411 HB2 LEU 66 3HB LEU 66 0.218 -3.761 -7.322 412 HB3 LEU 66 2HB LEU 66 -0.453 -2.149 -7.397 413 HG LEU 66 HG LEU 66 2.522 -2.616 -7.487 414 HD11 LEU 66 1HD1 LEU 66 1.516 -3.936 -9.274 415 HD12 LEU 66 2HD1 LEU 66 2.367 -2.534 -9.923 416 HD13 LEU 66 3HD1 LEU 66 0.607 -2.526 -9.814 417 HD21 LEU 66 1HD2 LEU 66 0.701 -0.362 -8.315 418 HD22 LEU 66 2HD2 LEU 66 2.395 -0.466 -8.787 419 HD23 LEU 66 3HD2 LEU 66 1.966 -0.336 -7.085 420 H SER 67 HN SER 67 0.558 -4.650 -4.008 421 HA SER 67 HA SER 67 2.830 -4.254 -2.511 422 HB2 SER 67 3HB SER 67 1.919 -7.018 -3.353 423 HB3 SER 67 2HB SER 67 2.644 -6.523 -1.825 424 HG SER 67 HG SER 67 0.063 -5.814 -2.804 425 H SER 68 HN SER 68 4.933 -3.832 -3.452 426 HA SER 68 HA SER 68 5.858 -5.241 -5.733 427 HB2 SER 68 3HB SER 68 7.479 -3.704 -3.697 428 HB3 SER 68 2HB SER 68 7.946 -4.087 -5.354 429 HG SER 68 HG SER 68 5.778 -2.897 -5.768 430 H LEU 69 HN LEU 69 5.095 -7.312 -4.267 431 HA LEU 69 HA LEU 69 7.607 -8.479 -3.282 432 HB2 LEU 69 3HB LEU 69 4.727 -9.124 -2.732 433 HB3 LEU 69 2HB LEU 69 5.953 -10.361 -2.544 434 HG LEU 69 HG LEU 69 5.436 -9.345 -0.401 435 HD11 LEU 69 1HD1 LEU 69 7.734 -10.106 -0.845 436 HD12 LEU 69 2HD1 LEU 69 7.667 -8.781 0.316 437 HD13 LEU 69 3HD1 LEU 69 8.159 -8.471 -1.349 438 HD21 LEU 69 1HD2 LEU 69 6.324 -6.752 -1.654 439 HD22 LEU 69 2HD2 LEU 69 5.954 -6.995 0.051 440 HD23 LEU 69 3HD2 LEU 69 4.682 -7.162 -1.160 441 H HIS 70 HN HIS 70 5.429 -8.268 -5.793 442 HA HIS 70 HA HIS 70 6.072 -10.771 -7.061 443 HB2 HIS 70 3HB HIS 70 4.815 -8.259 -8.199 444 HB3 HIS 70 2HB HIS 70 4.908 -9.811 -9.016 445 HD1 HIS 70 1HD HIS 70 2.859 -7.870 -6.656 446 HD2 HIS 70 2HD HIS 70 3.230 -11.837 -7.850 447 HE1 HIS 70 1HE HIS 70 0.774 -9.019 -5.849 448 HE2 HIS 70 2HE HIS 70 0.927 -11.353 -6.784 449 H HIS 71 HN HIS 71 7.056 -10.584 -9.361 450 HA HIS 71 HA HIS 71 8.948 -10.246 -10.581 451 HB2 HIS 71 3HB HIS 71 8.881 -7.441 -9.437 452 HB3 HIS 71 2HB HIS 71 9.739 -7.960 -10.881 453 HD1 HIS 71 1HD HIS 71 8.329 -8.334 -13.028 454 HD2 HIS 71 2HD HIS 71 6.158 -6.971 -9.760 455 HE1 HIS 71 1HE HIS 71 6.115 -7.588 -13.950 456 HE2 HIS 71 2HE HIS 71 4.907 -6.585 -11.985 457 H HIS 72 HN HIS 72 9.333 -11.464 -8.138 458 HA HIS 72 HA HIS 72 11.381 -10.090 -6.649 459 HB2 HIS 72 3HB HIS 72 11.433 -12.104 -5.222 460 HB3 HIS 72 2HB HIS 72 9.813 -11.450 -5.405 461 HD1 HIS 72 1HD HIS 72 11.936 -14.404 -6.359 462 HD2 HIS 72 2HD HIS 72 7.977 -13.150 -6.597 463 HE1 HIS 72 1HE HIS 72 10.622 -16.434 -7.046 464 HE2 HIS 72 2HE HIS 72 8.250 -15.624 -7.300 465 H HIS 73 HN HIS 73 11.438 -11.729 -9.484 466 HA HIS 73 HA HIS 73 14.238 -12.553 -9.084 467 HB2 HIS 73 3HB HIS 73 12.534 -14.210 -10.040 468 HB3 HIS 73 2HB HIS 73 12.509 -13.200 -11.479 469 HD1 HIS 73 1HD HIS 73 14.700 -15.579 -9.579 470 HD2 HIS 73 2HD HIS 73 14.716 -13.469 -13.159 471 HE1 HIS 73 1HE HIS 73 16.621 -16.511 -10.901 472 HE2 HIS 73 2HE HIS 73 16.487 -15.350 -13.131 473 H HIS 74 HN HIS 74 12.721 -9.900 -9.651 474 HA HIS 74 HA HIS 74 14.655 -8.909 -11.616 475 HB2 HIS 74 3HB HIS 74 12.581 -9.243 -12.858 476 HB3 HIS 74 2HB HIS 74 11.676 -8.356 -11.638 477 HD1 HIS 74 1HD HIS 74 11.788 -5.791 -11.702 478 HD2 HIS 74 2HD HIS 74 14.063 -7.651 -14.644 479 HE1 HIS 74 1HE HIS 74 12.446 -3.969 -13.301 480 HE2 HIS 74 2HE HIS 74 13.838 -5.107 -15.060 481 H HIS 75 HN HIS 75 15.846 -7.584 -10.366 482 HA HIS 75 HA HIS 75 14.576 -6.090 -8.221 483 HB2 HIS 75 3HB HIS 75 16.718 -7.180 -7.753 484 HB3 HIS 75 2HB HIS 75 17.484 -6.259 -9.044 485 HD1 HIS 75 1HD HIS 75 15.907 -5.765 -5.640 486 HD2 HIS 75 2HD HIS 75 18.374 -3.771 -8.329 487 HE1 HIS 75 1HE HIS 75 16.703 -3.704 -4.436 488 HE2 HIS 75 2HE HIS 75 18.097 -2.458 -6.118 Start of MODEL 14 1 H1 MET 1 1HT MET 1 4.821 20.857 16.460 2 H2 MET 1 2HT MET 1 5.007 21.562 17.983 3 H3 MET 1 3HT MET 1 6.369 21.165 17.066 4 HA MET 1 HA MET 1 5.953 23.530 17.016 5 HB2 MET 1 3HB MET 1 6.091 23.836 14.639 6 HB3 MET 1 2HB MET 1 6.936 22.351 15.041 7 HG2 MET 1 3HG MET 1 4.159 22.543 13.897 8 HG3 MET 1 2HG MET 1 5.621 22.135 13.002 9 HE1 MET 1 1HE MET 1 4.616 19.854 12.065 10 HE2 MET 1 2HE MET 1 3.110 20.386 12.805 11 HE3 MET 1 3HE MET 1 3.693 18.745 13.076 12 H CYS 2 HN CYS 2 4.587 25.271 16.278 13 HA CYS 2 HA CYS 2 1.844 24.768 16.995 14 HB2 CYS 2 3HB CYS 2 3.132 27.356 16.113 15 HB3 CYS 2 2HB CYS 2 1.599 27.177 16.960 16 HG CYS 2 HG CYS 2 3.025 25.932 19.209 17 H GLU 3 HN GLU 3 1.719 23.326 14.984 18 HA GLU 3 HA GLU 3 0.577 24.941 12.811 19 HB2 GLU 3 3HB GLU 3 2.275 22.460 12.495 20 HB3 GLU 3 2HB GLU 3 1.372 23.220 11.192 21 HG2 GLU 3 3HG GLU 3 2.710 25.324 11.729 22 HG3 GLU 3 2HG GLU 3 3.755 24.264 12.672 23 H PHE 4 HN PHE 4 -0.586 23.131 11.267 24 HA PHE 4 HA PHE 4 -2.249 21.470 13.047 25 HB2 PHE 4 3HB PHE 4 -3.251 23.347 10.884 26 HB3 PHE 4 2HB PHE 4 -4.247 22.179 11.746 27 HD1 PHE 4 1HD PHE 4 -4.608 22.451 14.194 28 HD2 PHE 4 2HD PHE 4 -2.737 25.444 11.821 29 HE1 PHE 4 1HE PHE 4 -5.042 24.113 15.955 30 HE2 PHE 4 2HE PHE 4 -3.166 27.111 13.577 31 HZ PHE 4 HZ PHE 4 -4.320 26.448 15.648 32 H ILE 5 HN ILE 5 -0.071 20.658 11.442 33 HA ILE 5 HA ILE 5 -1.120 19.395 9.067 34 HB ILE 5 HB ILE 5 1.409 19.901 9.610 35 HG12 ILE 5 3HG1 ILE 5 0.482 17.347 8.275 36 HG13 ILE 5 2HG1 ILE 5 0.616 18.932 7.520 37 HG21 ILE 5 1HG2 ILE 5 2.555 17.719 10.300 38 HG22 ILE 5 2HG2 ILE 5 0.990 17.234 10.956 39 HG23 ILE 5 3HG2 ILE 5 1.815 18.659 11.589 40 HD11 ILE 5 1HD1 ILE 5 2.463 17.501 6.884 41 HD12 ILE 5 2HD1 ILE 5 2.897 17.280 8.579 42 HD13 ILE 5 3HD1 ILE 5 3.036 18.871 7.834 43 H GLU 6 HN GLU 6 -2.311 18.977 11.830 44 HA GLU 6 HA GLU 6 -1.769 16.151 12.297 45 HB2 GLU 6 3HB GLU 6 -3.232 18.204 13.957 46 HB3 GLU 6 2HB GLU 6 -3.100 16.503 14.382 47 HG2 GLU 6 3HG GLU 6 -0.651 16.711 14.401 48 HG3 GLU 6 2HG GLU 6 -0.808 18.425 14.049 49 H ASP 7 HN ASP 7 -2.827 15.618 10.320 50 HA ASP 7 HA ASP 7 -5.626 15.921 9.932 51 HB2 ASP 7 3HB ASP 7 -3.637 13.989 8.715 52 HB3 ASP 7 2HB ASP 7 -5.322 14.084 8.224 53 H SER 8 HN SER 8 -3.741 13.820 11.837 54 HA SER 8 HA SER 8 -5.487 11.583 11.934 55 HB2 SER 8 3HB SER 8 -4.134 11.269 14.188 56 HB3 SER 8 2HB SER 8 -3.351 11.041 12.623 57 HG SER 8 HG SER 8 -3.300 13.400 14.228 58 H GLU 9 HN GLU 9 -5.380 14.627 13.577 59 HA GLU 9 HA GLU 9 -7.149 13.878 15.712 60 HB2 GLU 9 3HB GLU 9 -5.951 16.455 14.743 61 HB3 GLU 9 2HB GLU 9 -7.222 16.467 15.954 62 HG2 GLU 9 3HG GLU 9 -4.912 16.588 16.864 63 HG3 GLU 9 2HG GLU 9 -5.886 15.270 17.502 64 H ASP 10 HN ASP 10 -7.486 14.774 12.476 65 HA ASP 10 HA ASP 10 -9.267 14.814 11.097 66 HB2 ASP 10 3HB ASP 10 -10.219 13.042 12.533 67 HB3 ASP 10 2HB ASP 10 -10.972 14.279 13.534 68 H ILE 11 HN ILE 11 -10.696 16.277 14.043 69 HA ILE 11 HA ILE 11 -11.928 18.332 12.494 70 HB ILE 11 HB ILE 11 -11.558 18.158 15.491 71 HG12 ILE 11 3HG1 ILE 11 -14.107 17.737 15.312 72 HG13 ILE 11 2HG1 ILE 11 -13.780 17.352 13.628 73 HG21 ILE 11 1HG2 ILE 11 -13.284 19.890 15.634 74 HG22 ILE 11 2HG2 ILE 11 -13.284 20.025 13.875 75 HG23 ILE 11 3HG2 ILE 11 -11.845 20.467 14.791 76 HD11 ILE 11 1HD1 ILE 11 -12.316 15.554 14.297 77 HD12 ILE 11 2HD1 ILE 11 -13.896 15.368 15.054 78 HD13 ILE 11 3HD1 ILE 11 -12.533 15.977 15.993 79 H GLN 12 HN GLN 12 -9.118 18.248 14.654 80 HA GLN 12 HA GLN 12 -8.441 20.955 14.373 81 HB2 GLN 12 3HB GLN 12 -7.648 19.589 16.213 82 HB3 GLN 12 2HB GLN 12 -6.802 18.525 15.098 83 HG2 GLN 12 3HG GLN 12 -5.202 20.112 14.610 84 HG3 GLN 12 2HG GLN 12 -6.187 21.423 15.243 85 HE21 GLN 12 1HE2 GLN 12 -6.287 21.763 17.454 86 HE22 GLN 12 2HE2 GLN 12 -5.166 21.043 18.555 87 H GLY 13 HN GLY 13 -8.029 18.199 12.384 88 HA2 GLY 13 2HA GLY 13 -6.154 19.653 10.641 89 HA3 GLY 13 1HA GLY 13 -6.321 17.904 10.692 90 H LEU 14 HN LEU 14 -8.914 20.316 10.577 91 HA LEU 14 HA LEU 14 -10.176 19.010 8.380 92 HB2 LEU 14 3HB LEU 14 -10.698 21.665 9.703 93 HB3 LEU 14 2HB LEU 14 -11.658 21.063 8.366 94 HG LEU 14 HG LEU 14 -11.375 19.732 11.062 95 HD11 LEU 14 1HD1 LEU 14 -12.674 21.777 11.188 96 HD12 LEU 14 2HD1 LEU 14 -13.722 20.369 11.357 97 HD13 LEU 14 3HD1 LEU 14 -13.668 21.251 9.830 98 HD21 LEU 14 1HD2 LEU 14 -13.061 19.020 8.667 99 HD22 LEU 14 2HD2 LEU 14 -13.188 18.273 10.259 100 HD23 LEU 14 3HD2 LEU 14 -11.711 18.089 9.315 101 H LYS 15 HN LYS 15 -7.467 20.790 8.394 102 HA LYS 15 HA LYS 15 -7.681 22.425 6.112 103 HB2 LYS 15 3HB LYS 15 -5.269 20.888 7.105 104 HB3 LYS 15 2HB LYS 15 -5.237 22.238 5.979 105 HG2 LYS 15 3HG LYS 15 -6.349 22.474 8.746 106 HG3 LYS 15 2HG LYS 15 -4.642 22.748 8.381 107 HD2 LYS 15 3HD LYS 15 -5.288 24.500 6.780 108 HD3 LYS 15 2HD LYS 15 -6.984 24.227 7.180 109 HE2 LYS 15 3HE LYS 15 -6.552 24.884 9.489 110 HE3 LYS 15 2HE LYS 15 -4.849 25.128 9.110 111 HZ1 LYS 15 1HZ LYS 15 -6.037 27.214 9.110 112 HZ2 LYS 15 2HZ LYS 15 -7.122 26.644 7.946 113 HZ3 LYS 15 3HZ LYS 15 -5.493 26.864 7.549 114 H SER 16 HN SER 16 -7.711 19.057 6.528 115 HA SER 16 HA SER 16 -6.721 18.219 4.027 116 HB2 SER 16 3HB SER 16 -8.078 16.120 4.574 117 HB3 SER 16 2HB SER 16 -6.834 16.583 5.733 118 HG SER 16 HG SER 16 -8.356 17.255 7.139 119 H LEU 17 HN LEU 17 -9.496 19.937 4.828 120 HA LEU 17 HA LEU 17 -11.134 18.894 2.659 121 HB2 LEU 17 3HB LEU 17 -11.561 21.252 4.497 122 HB3 LEU 17 2HB LEU 17 -12.733 20.649 3.341 123 HG LEU 17 HG LEU 17 -11.691 19.111 5.723 124 HD11 LEU 17 1HD1 LEU 17 -13.942 19.438 6.633 125 HD12 LEU 17 2HD1 LEU 17 -14.342 20.473 5.261 126 HD13 LEU 17 3HD1 LEU 17 -13.096 20.969 6.407 127 HD21 LEU 17 1HD2 LEU 17 -12.302 17.645 3.882 128 HD22 LEU 17 2HD2 LEU 17 -13.859 18.457 3.731 129 HD23 LEU 17 3HD2 LEU 17 -13.486 17.530 5.182 130 H ARG 18 HN ARG 18 -8.630 21.071 3.002 131 HA ARG 18 HA ARG 18 -9.008 22.063 0.310 132 HB2 ARG 18 3HB ARG 18 -10.087 23.717 1.924 133 HB3 ARG 18 2HB ARG 18 -8.474 24.007 2.563 134 HG2 ARG 18 3HG ARG 18 -7.741 24.719 0.345 135 HG3 ARG 18 2HG ARG 18 -9.370 24.463 -0.269 136 HD2 ARG 18 3HD ARG 18 -8.608 26.388 1.922 137 HD3 ARG 18 2HD ARG 18 -8.907 26.826 0.242 138 HE ARG 18 HE ARG 18 -11.080 25.446 1.570 139 HH11 ARG 18 1HH1 ARG 18 -9.653 28.535 0.725 140 HH12 ARG 18 2HH1 ARG 18 -11.141 29.409 0.908 141 HH21 ARG 18 1HH2 ARG 18 -13.029 26.595 1.801 142 HH22 ARG 18 2HH2 ARG 18 -13.060 28.305 1.512 143 H LYS 19 HN LYS 19 -7.295 20.278 0.591 144 HA LYS 19 HA LYS 19 -4.850 21.193 1.911 145 HB2 LYS 19 3HB LYS 19 -6.043 18.994 2.444 146 HB3 LYS 19 2HB LYS 19 -5.427 18.418 0.907 147 HG2 LYS 19 3HG LYS 19 -3.165 18.670 1.645 148 HG3 LYS 19 2HG LYS 19 -3.695 19.453 3.137 149 HD2 LYS 19 3HD LYS 19 -4.876 17.382 3.768 150 HD3 LYS 19 2HD LYS 19 -4.263 16.609 2.308 151 HE2 LYS 19 3HE LYS 19 -1.992 16.856 3.079 152 HE3 LYS 19 2HE LYS 19 -2.533 17.772 4.484 153 HZ1 LYS 19 1HZ LYS 19 -3.330 14.969 3.943 154 HZ2 LYS 19 2HZ LYS 19 -3.598 15.852 5.363 155 HZ3 LYS 19 3HZ LYS 19 -2.021 15.396 4.928 156 H SER 20 HN SER 20 -4.677 22.607 -0.133 157 HA SER 20 HA SER 20 -2.602 21.314 -1.707 158 HB2 SER 20 3HB SER 20 -4.900 22.797 -3.019 159 HB3 SER 20 2HB SER 20 -3.459 22.210 -3.843 160 HG SER 20 HG SER 20 -4.584 20.220 -2.417 161 H HIS 21 HN HIS 21 -4.424 24.382 -1.313 162 HA HIS 21 HA HIS 21 -2.305 26.094 -1.992 163 HB2 HIS 21 3HB HIS 21 -3.621 27.870 -1.137 164 HB3 HIS 21 2HB HIS 21 -4.787 26.688 -1.712 165 HD1 HIS 21 1HD HIS 21 -4.036 28.747 1.143 166 HD2 HIS 21 2HD HIS 21 -5.794 25.026 0.568 167 HE1 HIS 21 1HE HIS 21 -5.304 28.261 3.255 168 HE2 HIS 21 2HE HIS 21 -6.247 25.949 2.935 169 H THR 22 HN THR 22 -3.000 24.304 0.856 170 HA THR 22 HA THR 22 -1.496 25.856 2.737 171 HB THR 22 HB THR 22 -1.595 23.398 3.864 172 HG1 THR 22 1HG THR 22 -3.720 22.575 3.125 173 HG21 THR 22 1HG2 THR 22 -3.717 24.104 4.879 174 HG22 THR 22 2HG2 THR 22 -3.901 25.345 3.640 175 HG23 THR 22 3HG2 THR 22 -2.571 25.440 4.792 176 H SER 23 HN SER 23 0.043 24.936 0.240 177 HA SER 23 HA SER 23 1.814 23.603 -0.477 178 HB2 SER 23 3HB SER 23 3.824 23.788 1.023 179 HB3 SER 23 2HB SER 23 3.086 25.323 0.583 180 HG SER 23 HG SER 23 2.031 24.332 2.882 181 H LEU 24 HN LEU 24 -0.248 22.135 0.673 182 HA LEU 24 HA LEU 24 1.236 19.840 1.746 183 HB2 LEU 24 3HB LEU 24 -1.146 21.186 2.779 184 HB3 LEU 24 2HB LEU 24 -1.383 19.465 2.557 185 HG LEU 24 HG LEU 24 -0.714 19.933 4.835 186 HD11 LEU 24 1HD1 LEU 24 1.175 18.427 5.024 187 HD12 LEU 24 2HD1 LEU 24 1.526 18.623 3.307 188 HD13 LEU 24 3HD1 LEU 24 0.032 17.840 3.817 189 HD21 LEU 24 1HD2 LEU 24 1.789 21.128 3.656 190 HD22 LEU 24 2HD2 LEU 24 1.473 20.863 5.372 191 HD23 LEU 24 3HD2 LEU 24 0.495 22.015 4.464 192 H GLU 25 HN GLU 25 0.660 20.531 -1.010 193 HA GLU 25 HA GLU 25 -1.436 18.678 -1.807 194 HB2 GLU 25 3HB GLU 25 -0.968 19.365 -4.086 195 HB3 GLU 25 2HB GLU 25 -1.129 20.785 -3.067 196 HG2 GLU 25 3HG GLU 25 1.557 19.634 -3.729 197 HG3 GLU 25 2HG GLU 25 0.731 20.741 -4.819 198 H ASP 26 HN ASP 26 1.686 18.461 -0.849 199 HA ASP 26 HA ASP 26 2.519 16.345 -2.645 200 HB2 ASP 26 3HB ASP 26 3.807 17.619 -0.229 201 HB3 ASP 26 2HB ASP 26 4.499 16.224 -1.046 202 H ASP 27 HN ASP 27 3.198 14.269 -1.816 203 HA ASP 27 HA ASP 27 1.281 13.198 0.086 204 HB2 ASP 27 3HB ASP 27 3.276 11.880 -1.758 205 HB3 ASP 27 2HB ASP 27 2.305 10.986 -0.595 206 H ASP 28 HN ASP 28 4.023 14.726 0.443 207 HA ASP 28 HA ASP 28 5.833 13.166 1.816 208 HB2 ASP 28 3HB ASP 28 6.267 15.469 1.079 209 HB3 ASP 28 2HB ASP 28 5.169 16.063 2.318 210 H ASP 29 HN ASP 29 2.884 14.575 2.953 211 HA ASP 29 HA ASP 29 3.465 14.095 5.743 212 HB2 ASP 29 3HB ASP 29 1.376 15.102 6.227 213 HB3 ASP 29 2HB ASP 29 2.024 16.004 4.861 214 H GLY 30 HN GLY 30 2.645 12.117 3.261 215 HA2 GLY 30 2HA GLY 30 0.590 10.501 4.338 216 HA3 GLY 30 1HA GLY 30 1.733 10.019 3.093 217 H SER 31 HN SER 31 3.814 10.868 5.291 218 HA SER 31 HA SER 31 4.131 8.243 6.428 219 HB2 SER 31 3HB SER 31 5.677 10.768 7.056 220 HB3 SER 31 2HB SER 31 6.188 9.108 7.358 221 HG SER 31 HG SER 31 5.515 9.573 4.743 222 H ARG 32 HN ARG 32 2.397 10.998 7.218 223 HA ARG 32 HA ARG 32 2.313 10.288 10.081 224 HB2 ARG 32 3HB ARG 32 1.574 12.964 8.869 225 HB3 ARG 32 2HB ARG 32 1.685 12.568 10.576 226 HG2 ARG 32 3HG ARG 32 4.097 12.224 10.337 227 HG3 ARG 32 2HG ARG 32 3.978 12.654 8.630 228 HD2 ARG 32 3HD ARG 32 3.050 14.861 9.320 229 HD3 ARG 32 2HD ARG 32 3.370 14.419 10.997 230 HE ARG 32 HE ARG 32 5.600 14.359 9.113 231 HH11 ARG 32 1HH1 ARG 32 3.980 15.968 11.780 232 HH12 ARG 32 2HH1 ARG 32 5.354 16.943 12.182 233 HH21 ARG 32 1HH2 ARG 32 7.394 15.660 9.635 234 HH22 ARG 32 2HH2 ARG 32 7.290 16.781 10.957 235 H GLY 33 HN GLY 33 0.090 11.173 11.014 236 HA2 GLY 33 2HA GLY 33 -2.234 11.405 10.776 237 HA3 GLY 33 1HA GLY 33 -2.103 10.816 9.126 238 H GLY 34 HN GLY 34 -2.066 8.605 8.729 239 HA2 GLY 34 2HA GLY 34 -1.778 6.370 9.886 240 HA3 GLY 34 1HA GLY 34 -2.978 6.980 11.017 241 H ASP 35 HN ASP 35 -4.240 8.343 8.541 242 HA ASP 35 HA ASP 35 -5.463 5.922 7.401 243 HB2 ASP 35 3HB ASP 35 -6.922 8.299 8.544 244 HB3 ASP 35 2HB ASP 35 -7.668 7.206 7.388 245 H CYS 36 HN CYS 36 -3.447 7.790 6.396 246 HA CYS 36 HA CYS 36 -4.617 9.324 4.310 247 HB2 CYS 36 3HB CYS 36 -1.829 8.135 4.400 248 HB3 CYS 36 2HB CYS 36 -2.370 9.480 3.400 249 HG CYS 36 HG CYS 36 -0.778 9.870 6.017 250 H GLU 37 HN GLU 37 -5.186 8.743 2.263 251 HA GLU 37 HA GLU 37 -5.205 5.853 1.746 252 HB2 GLU 37 3HB GLU 37 -7.392 7.135 2.047 253 HB3 GLU 37 2HB GLU 37 -7.029 7.919 0.518 254 HG2 GLU 37 3HG GLU 37 -7.147 5.848 -0.655 255 HG3 GLU 37 2HG GLU 37 -7.263 4.942 0.854 256 H GLY 38 HN GLY 38 -2.967 7.465 1.210 257 HA2 GLY 38 2HA GLY 38 -3.008 7.992 -1.656 258 HA3 GLY 38 1HA GLY 38 -1.661 8.318 -0.569 259 H CYS 39 HN CYS 39 -3.174 6.027 -2.620 260 HA CYS 39 HA CYS 39 -1.597 3.774 -1.926 261 HB2 CYS 39 3HB CYS 39 -3.260 4.291 -4.400 262 HB3 CYS 39 2HB CYS 39 -2.643 2.727 -3.872 263 H SER 40 HN SER 40 0.159 5.716 -2.208 264 HA SER 40 HA SER 40 2.039 4.675 -3.958 265 HB2 SER 40 3HB SER 40 2.170 6.392 -5.677 266 HB3 SER 40 2HB SER 40 0.565 5.660 -5.630 267 HG SER 40 HG SER 40 -0.292 7.456 -4.845 268 H GLY 41 HN GLY 41 0.957 7.799 -2.683 269 HA2 GLY 41 2HA GLY 41 3.722 8.301 -1.782 270 HA3 GLY 41 1HA GLY 41 2.450 9.504 -1.785 271 H THR 42 HN THR 42 1.179 6.730 -0.312 272 HA THR 42 HA THR 42 1.637 7.966 2.295 273 HB THR 42 HB THR 42 -0.228 5.741 1.440 274 HG1 THR 42 1HG THR 42 -0.451 8.350 1.319 275 HG21 THR 42 1HG2 THR 42 0.109 6.970 4.183 276 HG22 THR 42 2HG2 THR 42 0.525 5.316 3.729 277 HG23 THR 42 3HG2 THR 42 -1.159 5.838 3.711 278 H ALA 43 HN ALA 43 2.754 6.996 3.951 279 HA ALA 43 HA ALA 43 4.519 4.820 3.094 280 HB1 ALA 43 1HB ALA 43 4.690 6.538 5.572 281 HB2 ALA 43 2HB ALA 43 5.496 6.898 4.046 282 HB3 ALA 43 3HB ALA 43 5.927 5.446 4.951 283 H CYS 44 HN CYS 44 4.280 2.923 3.631 284 HA CYS 44 HA CYS 44 2.549 2.126 5.863 285 HB2 CYS 44 3HB CYS 44 2.526 -0.029 4.721 286 HB3 CYS 44 2HB CYS 44 2.049 1.255 3.607 287 H SER 45 HN SER 45 3.463 1.255 7.617 288 HA SER 45 HA SER 45 6.139 0.101 7.436 289 HB2 SER 45 3HB SER 45 5.632 -0.419 9.918 290 HB3 SER 45 2HB SER 45 5.843 1.276 9.471 291 HG SER 45 HG SER 45 3.805 1.649 9.901 292 H SER 46 HN SER 46 2.773 -0.767 7.801 293 HA SER 46 HA SER 46 3.482 -3.601 7.568 294 HB2 SER 46 3HB SER 46 2.319 -3.132 9.663 295 HB3 SER 46 2HB SER 46 1.024 -2.317 8.787 296 HG SER 46 HG SER 46 1.157 -4.852 9.413 297 H ASP 47 HN ASP 47 2.502 -4.791 5.940 298 HA ASP 47 HA ASP 47 1.281 -3.485 3.784 299 HB2 ASP 47 3HB ASP 47 0.847 -5.701 2.873 300 HB3 ASP 47 2HB ASP 47 2.480 -5.602 3.517 301 H ALA 48 HN ALA 48 -0.131 -4.685 6.760 302 HA ALA 48 HA ALA 48 -2.596 -5.335 5.716 303 HB1 ALA 48 1HB ALA 48 -1.788 -6.126 7.885 304 HB2 ALA 48 2HB ALA 48 -3.381 -5.378 8.006 305 HB3 ALA 48 3HB ALA 48 -1.949 -4.490 8.525 306 H GLN 49 HN GLN 49 -1.201 -2.277 6.432 307 HA GLN 49 HA GLN 49 -3.723 -0.955 6.870 308 HB2 GLN 49 3HB GLN 49 -2.405 1.096 7.138 309 HB3 GLN 49 2HB GLN 49 -1.830 -0.191 8.183 310 HG2 GLN 49 3HG GLN 49 0.039 -0.595 6.689 311 HG3 GLN 49 2HG GLN 49 -0.563 0.634 5.580 312 HE21 GLN 49 1HE2 GLN 49 -1.375 2.443 7.694 313 HE22 GLN 49 2HE2 GLN 49 0.082 3.114 8.343 314 H CYS 50 HN CYS 50 -1.487 -1.501 4.244 315 HA CYS 50 HA CYS 50 -2.913 0.380 2.541 316 HB2 CYS 50 3HB CYS 50 -1.072 -1.742 1.492 317 HB3 CYS 50 2HB CYS 50 -1.429 -0.165 0.813 318 H ARG 51 HN ARG 51 -2.651 -3.103 3.072 319 HA ARG 51 HA ARG 51 -4.511 -4.044 1.252 320 HB2 ARG 51 3HB ARG 51 -4.023 -4.936 4.107 321 HB3 ARG 51 2HB ARG 51 -5.045 -5.808 2.983 322 HG2 ARG 51 3HG ARG 51 -2.097 -5.304 2.688 323 HG3 ARG 51 2HG ARG 51 -2.870 -6.827 3.127 324 HD2 ARG 51 3HD ARG 51 -3.410 -5.367 0.564 325 HD3 ARG 51 2HD ARG 51 -2.171 -6.609 0.729 326 HE ARG 51 HE ARG 51 -4.483 -7.768 1.656 327 HH11 ARG 51 1HH1 ARG 51 -3.456 -6.259 -1.327 328 HH12 ARG 51 2HH1 ARG 51 -4.471 -7.250 -2.330 329 HH21 ARG 51 1HH2 ARG 51 -5.806 -9.090 0.341 330 HH22 ARG 51 2HH2 ARG 51 -5.809 -8.859 -1.381 331 H ALA 52 HN ALA 52 -5.120 -2.873 4.539 332 HA ALA 52 HA ALA 52 -7.961 -3.045 4.262 333 HB1 ALA 52 1HB ALA 52 -6.314 -1.610 6.344 334 HB2 ALA 52 2HB ALA 52 -6.870 -3.281 6.443 335 HB3 ALA 52 3HB ALA 52 -8.040 -1.961 6.445 336 H ARG 53 HN ARG 53 -5.620 -0.892 3.182 337 HA ARG 53 HA ARG 53 -7.375 1.408 3.216 338 HB2 ARG 53 3HB ARG 53 -4.846 1.527 3.482 339 HB3 ARG 53 2HB ARG 53 -4.770 1.230 1.752 340 HG2 ARG 53 3HG ARG 53 -4.580 3.611 2.323 341 HG3 ARG 53 2HG ARG 53 -5.975 3.265 1.300 342 HD2 ARG 53 3HD ARG 53 -6.507 4.849 3.110 343 HD3 ARG 53 2HD ARG 53 -7.451 3.368 3.215 344 HE ARG 53 HE ARG 53 -5.171 3.073 4.810 345 HH11 ARG 53 1HH1 ARG 53 -8.117 4.965 4.713 346 HH12 ARG 53 2HH1 ARG 53 -8.216 5.141 6.436 347 HH21 ARG 53 1HH2 ARG 53 -5.302 3.309 7.095 348 HH22 ARG 53 2HH2 ARG 53 -6.616 4.215 7.791 349 H GLY 54 HN GLY 54 -7.199 -1.304 1.434 350 HA2 GLY 54 2HA GLY 54 -8.161 -1.898 -0.573 351 HA3 GLY 54 1HA GLY 54 -8.761 -0.250 -0.716 352 H CYS 55 HN CYS 55 -5.670 0.210 -0.107 353 HA CYS 55 HA CYS 55 -4.923 0.942 -2.689 354 HB2 CYS 55 3HB CYS 55 -3.279 0.480 -0.208 355 HB3 CYS 55 2HB CYS 55 -2.532 0.940 -1.737 356 H ASP 56 HN ASP 56 -3.210 -1.775 -1.012 357 HA ASP 56 HA ASP 56 -3.827 -3.838 -2.683 358 HB2 ASP 56 3HB ASP 56 -2.952 -2.576 -4.606 359 HB3 ASP 56 2HB ASP 56 -1.409 -2.369 -3.781 360 H GLY 57 HN GLY 57 -0.767 -2.266 -1.600 361 HA2 GLY 57 2HA GLY 57 -0.683 -3.918 0.697 362 HA3 GLY 57 1HA GLY 57 0.360 -4.579 -0.554 363 H CYS 58 HN CYS 58 1.607 -3.948 1.587 364 HA CYS 58 HA CYS 58 2.753 -1.288 1.228 365 HB2 CYS 58 3HB CYS 58 2.251 -1.856 3.511 366 HB3 CYS 58 2HB CYS 58 3.117 -3.380 3.386 367 H SER 59 HN SER 59 4.672 -1.014 0.161 368 HA SER 59 HA SER 59 5.821 -3.458 -0.936 369 HB2 SER 59 3HB SER 59 7.113 -1.940 -2.372 370 HB3 SER 59 2HB SER 59 5.399 -1.532 -2.421 371 HG SER 59 HG SER 59 6.917 0.268 -2.139 372 H THR 60 HN THR 60 8.305 -3.554 -1.042 373 HA THR 60 HA THR 60 9.368 -3.512 1.563 374 HB THR 60 HB THR 60 11.594 -3.701 0.134 375 HG1 THR 60 1HG THR 60 10.719 -3.136 -1.855 376 HG21 THR 60 1HG2 THR 60 9.440 -5.821 0.143 377 HG22 THR 60 2HG2 THR 60 10.558 -5.493 1.466 378 HG23 THR 60 3HG2 THR 60 11.168 -6.095 -0.075 379 H SER 61 HN SER 61 8.665 -0.688 0.012 380 HA SER 61 HA SER 61 11.106 0.590 0.973 381 HB2 SER 61 3HB SER 61 10.563 2.365 -0.802 382 HB3 SER 61 2HB SER 61 11.215 0.825 -1.361 383 HG SER 61 HG SER 61 9.042 1.944 -2.192 384 H GLY 62 HN GLY 62 8.397 0.096 2.262 385 HA2 GLY 62 2HA GLY 62 7.091 1.212 3.765 386 HA3 GLY 62 1HA GLY 62 8.295 2.485 3.719 387 H VAL 63 HN VAL 63 6.271 1.387 1.016 388 HA VAL 63 HA VAL 63 4.658 3.819 1.311 389 HB VAL 63 HB VAL 63 4.640 4.153 -1.157 390 HG11 VAL 63 1HG1 VAL 63 6.064 5.533 0.231 391 HG12 VAL 63 2HG1 VAL 63 6.854 5.192 -1.308 392 HG13 VAL 63 3HG1 VAL 63 7.349 4.326 0.147 393 HG21 VAL 63 1HG2 VAL 63 5.306 1.907 -1.841 394 HG22 VAL 63 2HG2 VAL 63 6.911 2.174 -1.159 395 HG23 VAL 63 3HG2 VAL 63 6.366 3.135 -2.533 396 H CYS 64 HN CYS 64 2.609 3.708 0.149 397 HA CYS 64 HA CYS 64 1.535 0.963 0.442 398 HB2 CYS 64 3HB CYS 64 0.341 3.672 0.992 399 HB3 CYS 64 2HB CYS 64 -0.730 2.449 0.356 400 H VAL 65 HN VAL 65 1.284 -0.027 -1.458 401 HA VAL 65 HA VAL 65 0.412 1.462 -3.812 402 HB VAL 65 HB VAL 65 2.416 0.746 -5.123 403 HG11 VAL 65 1HG1 VAL 65 4.003 2.387 -4.093 404 HG12 VAL 65 2HG1 VAL 65 2.814 2.578 -2.802 405 HG13 VAL 65 3HG1 VAL 65 2.388 2.982 -4.464 406 HG21 VAL 65 1HG2 VAL 65 3.147 -1.086 -3.680 407 HG22 VAL 65 2HG2 VAL 65 3.577 0.075 -2.424 408 HG23 VAL 65 3HG2 VAL 65 4.447 0.074 -3.957 409 H LEU 66 HN LEU 66 0.391 -0.053 -5.771 410 HA LEU 66 HA LEU 66 -0.151 -2.778 -5.163 411 HB2 LEU 66 3HB LEU 66 0.006 -3.181 -7.558 412 HB3 LEU 66 2HB LEU 66 -0.961 -1.759 -7.241 413 HG LEU 66 HG LEU 66 1.934 -1.596 -8.075 414 HD11 LEU 66 1HD1 LEU 66 -0.531 -1.563 -9.802 415 HD12 LEU 66 2HD1 LEU 66 0.724 -2.800 -9.789 416 HD13 LEU 66 3HD1 LEU 66 1.101 -1.168 -10.342 417 HD21 LEU 66 1HD2 LEU 66 1.195 0.661 -8.863 418 HD22 LEU 66 2HD2 LEU 66 1.161 0.451 -7.115 419 HD23 LEU 66 3HD2 LEU 66 -0.340 0.382 -8.041 420 H SER 67 HN SER 67 1.517 -3.383 -3.785 421 HA SER 67 HA SER 67 4.229 -2.846 -4.036 422 HB2 SER 67 3HB SER 67 3.183 -5.453 -2.923 423 HB3 SER 67 2HB SER 67 4.603 -4.533 -2.425 424 HG SER 67 HG SER 67 2.808 -2.818 -2.071 425 H SER 68 HN SER 68 5.743 -3.535 -5.681 426 HA SER 68 HA SER 68 5.074 -5.709 -7.411 427 HB2 SER 68 3HB SER 68 7.705 -4.248 -7.065 428 HB3 SER 68 2HB SER 68 7.249 -5.266 -8.431 429 HG SER 68 HG SER 68 5.341 -3.655 -8.452 430 H LEU 69 HN LEU 69 4.765 -7.041 -5.315 431 HA LEU 69 HA LEU 69 7.264 -8.461 -4.690 432 HB2 LEU 69 3HB LEU 69 4.955 -7.873 -2.827 433 HB3 LEU 69 2HB LEU 69 6.346 -8.860 -2.428 434 HG LEU 69 HG LEU 69 6.422 -5.905 -3.050 435 HD11 LEU 69 1HD1 LEU 69 6.932 -5.637 -0.680 436 HD12 LEU 69 2HD1 LEU 69 6.735 -7.373 -0.435 437 HD13 LEU 69 3HD1 LEU 69 5.353 -6.387 -0.910 438 HD21 LEU 69 1HD2 LEU 69 8.595 -7.786 -2.129 439 HD22 LEU 69 2HD2 LEU 69 8.748 -6.036 -2.289 440 HD23 LEU 69 3HD2 LEU 69 8.476 -7.030 -3.719 441 H HIS 70 HN HIS 70 6.428 -10.622 -3.450 442 HA HIS 70 HA HIS 70 4.615 -11.871 -5.404 443 HB2 HIS 70 3HB HIS 70 6.667 -13.223 -3.637 444 HB3 HIS 70 2HB HIS 70 5.731 -13.976 -4.919 445 HD1 HIS 70 1HD HIS 70 9.002 -13.300 -4.457 446 HD2 HIS 70 2HD HIS 70 6.364 -11.992 -7.392 447 HE1 HIS 70 1HE HIS 70 10.438 -12.609 -6.398 448 HE2 HIS 70 2HE HIS 70 8.820 -11.930 -8.202 449 H HIS 71 HN HIS 71 2.798 -11.070 -4.107 450 HA HIS 71 HA HIS 71 2.410 -11.788 -1.427 451 HB2 HIS 71 3HB HIS 71 -0.005 -11.364 -1.817 452 HB3 HIS 71 2HB HIS 71 1.025 -10.066 -2.394 453 HD1 HIS 71 1HD HIS 71 0.577 -9.281 -4.702 454 HD2 HIS 71 2HD HIS 71 -0.972 -13.077 -4.030 455 HE1 HIS 71 1HE HIS 71 -0.762 -9.838 -6.754 456 HE2 HIS 71 2HE HIS 71 -1.505 -12.216 -6.408 457 H HIS 72 HN HIS 72 1.787 -13.571 -0.428 458 HA HIS 72 HA HIS 72 1.245 -15.727 -0.029 459 HB2 HIS 72 3HB HIS 72 -0.376 -15.267 -2.518 460 HB3 HIS 72 2HB HIS 72 -0.336 -16.844 -1.735 461 HD1 HIS 72 1HD HIS 72 -1.844 -17.176 0.229 462 HD2 HIS 72 2HD HIS 72 -1.474 -13.175 -0.836 463 HE1 HIS 72 1HE HIS 72 -3.512 -15.941 1.646 464 HE2 HIS 72 2HE HIS 72 -3.143 -13.508 1.114 465 H HIS 73 HN HIS 73 3.723 -15.252 -1.191 466 HA HIS 73 HA HIS 73 4.216 -17.135 -3.280 467 HB2 HIS 73 3HB HIS 73 6.616 -16.812 -2.764 468 HB3 HIS 73 2HB HIS 73 5.766 -15.294 -3.000 469 HD1 HIS 73 1HD HIS 73 7.413 -17.364 -0.320 470 HD2 HIS 73 2HD HIS 73 5.799 -13.570 -0.831 471 HE1 HIS 73 1HE HIS 73 8.116 -16.054 1.705 472 HE2 HIS 73 2HE HIS 73 7.066 -13.786 1.413 473 H HIS 74 HN HIS 74 4.644 -19.250 -3.189 474 HA HIS 74 HA HIS 74 4.300 -20.494 -0.558 475 HB2 HIS 74 3HB HIS 74 3.972 -21.692 -3.316 476 HB3 HIS 74 2HB HIS 74 3.617 -22.502 -1.794 477 HD1 HIS 74 1HD HIS 74 2.082 -20.498 -4.387 478 HD2 HIS 74 2HD HIS 74 1.422 -21.163 -0.340 479 HE1 HIS 74 1HE HIS 74 -0.279 -19.749 -3.955 480 HE2 HIS 74 2HE HIS 74 -0.600 -20.015 -1.470 481 H HIS 75 HN HIS 75 5.575 -22.220 0.112 482 HA HIS 75 HA HIS 75 8.050 -22.690 -1.406 483 HB2 HIS 75 3HB HIS 75 8.705 -21.275 0.419 484 HB3 HIS 75 2HB HIS 75 7.757 -22.211 1.566 485 HD1 HIS 75 1HD HIS 75 8.858 -24.206 2.637 486 HD2 HIS 75 2HD HIS 75 11.123 -22.573 -0.441 487 HE1 HIS 75 1HE HIS 75 11.093 -25.348 2.764 488 HE2 HIS 75 2HE HIS 75 12.502 -24.211 1.014 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -10.497 11.262 3.020 2 H2 MET 1 2HT MET 1 -11.451 10.311 4.039 3 H3 MET 1 3HT MET 1 -12.165 11.172 2.772 4 HA MET 1 HA MET 1 -10.240 8.946 2.486 5 HB2 MET 1 3HB MET 1 -13.218 9.087 1.975 6 HB3 MET 1 2HB MET 1 -12.187 7.758 1.465 7 HG2 MET 1 3HG MET 1 -12.710 8.616 4.299 8 HG3 MET 1 2HG MET 1 -13.385 7.203 3.493 9 HE1 MET 1 1HE MET 1 -10.893 6.093 1.837 10 HE2 MET 1 2HE MET 1 -11.979 5.078 2.786 11 HE3 MET 1 3HE MET 1 -10.234 4.939 2.997 12 H CYS 2 HN CYS 2 -9.174 8.958 0.668 13 HA CYS 2 HA CYS 2 -8.644 9.109 -1.518 14 HB2 CYS 2 3HB CYS 2 -11.504 9.974 -1.937 15 HB3 CYS 2 2HB CYS 2 -10.369 9.548 -3.214 16 HG CYS 2 HG CYS 2 -10.590 6.965 -3.051 17 H GLU 3 HN GLU 3 -9.504 11.708 0.356 18 HA GLU 3 HA GLU 3 -8.859 13.883 0.387 19 HB2 GLU 3 3HB GLU 3 -6.714 12.792 -0.421 20 HB3 GLU 3 2HB GLU 3 -7.189 13.238 -2.049 21 HG2 GLU 3 3HG GLU 3 -7.075 15.571 -1.496 22 HG3 GLU 3 2HG GLU 3 -6.758 15.191 0.198 23 H PHE 4 HN PHE 4 -8.701 15.927 -1.236 24 HA PHE 4 HA PHE 4 -10.941 15.624 -3.165 25 HB2 PHE 4 3HB PHE 4 -10.336 18.032 -1.417 26 HB3 PHE 4 2HB PHE 4 -11.586 17.958 -2.654 27 HD1 PHE 4 1HD PHE 4 -10.722 17.199 0.744 28 HD2 PHE 4 2HD PHE 4 -13.462 16.316 -2.387 29 HE1 PHE 4 1HE PHE 4 -12.294 16.265 2.389 30 HE2 PHE 4 2HE PHE 4 -15.041 15.382 -0.749 31 HZ PHE 4 HZ PHE 4 -14.457 15.356 1.644 32 H ILE 5 HN ILE 5 -8.983 15.058 -4.384 33 HA ILE 5 HA ILE 5 -8.314 16.886 -6.350 34 HB ILE 5 HB ILE 5 -5.724 16.916 -5.850 35 HG12 ILE 5 3HG1 ILE 5 -6.915 17.104 -3.077 36 HG13 ILE 5 2HG1 ILE 5 -5.851 15.829 -3.662 37 HG21 ILE 5 1HG2 ILE 5 -7.644 18.953 -4.767 38 HG22 ILE 5 2HG2 ILE 5 -7.033 18.847 -6.419 39 HG23 ILE 5 3HG2 ILE 5 -5.932 19.224 -5.093 40 HD11 ILE 5 1HD1 ILE 5 -4.061 17.474 -3.957 41 HD12 ILE 5 2HD1 ILE 5 -4.634 17.403 -2.291 42 HD13 ILE 5 3HD1 ILE 5 -5.130 18.733 -3.338 43 H GLU 6 HN GLU 6 -6.393 14.459 -4.586 44 HA GLU 6 HA GLU 6 -5.562 13.013 -6.824 45 HB2 GLU 6 3HB GLU 6 -4.663 12.785 -4.492 46 HB3 GLU 6 2HB GLU 6 -6.107 11.878 -4.078 47 HG2 GLU 6 3HG GLU 6 -5.501 10.197 -5.770 48 HG3 GLU 6 2HG GLU 6 -4.015 11.093 -6.088 49 H ASP 7 HN ASP 7 -8.609 13.174 -5.323 50 HA ASP 7 HA ASP 7 -9.583 10.578 -6.003 51 HB2 ASP 7 3HB ASP 7 -11.717 11.352 -5.232 52 HB3 ASP 7 2HB ASP 7 -10.497 12.030 -4.159 53 H SER 8 HN SER 8 -8.898 13.245 -7.881 54 HA SER 8 HA SER 8 -11.137 13.183 -9.661 55 HB2 SER 8 3HB SER 8 -9.728 14.662 -11.081 56 HB3 SER 8 2HB SER 8 -9.847 15.225 -9.413 57 HG SER 8 HG SER 8 -7.791 14.697 -9.058 58 H GLU 9 HN GLU 9 -8.746 11.018 -9.151 59 HA GLU 9 HA GLU 9 -7.808 10.383 -11.738 60 HB2 GLU 9 3HB GLU 9 -7.005 8.310 -10.710 61 HB3 GLU 9 2HB GLU 9 -6.626 9.710 -9.713 62 HG2 GLU 9 3HG GLU 9 -8.229 9.163 -8.118 63 HG3 GLU 9 2HG GLU 9 -9.091 8.087 -9.217 64 H ASP 10 HN ASP 10 -10.880 10.009 -10.514 65 HA ASP 10 HA ASP 10 -11.654 7.420 -11.136 66 HB2 ASP 10 3HB ASP 10 -13.003 9.230 -9.949 67 HB3 ASP 10 2HB ASP 10 -13.428 9.826 -11.550 68 H ILE 11 HN ILE 11 -10.858 6.609 -12.997 69 HA ILE 11 HA ILE 11 -10.754 7.860 -15.488 70 HB ILE 11 HB ILE 11 -10.874 4.909 -14.863 71 HG12 ILE 11 3HG1 ILE 11 -8.516 6.743 -15.343 72 HG13 ILE 11 2HG1 ILE 11 -9.020 6.132 -13.773 73 HG21 ILE 11 1HG2 ILE 11 -9.960 6.317 -17.371 74 HG22 ILE 11 2HG2 ILE 11 -11.414 5.334 -17.203 75 HG23 ILE 11 3HG2 ILE 11 -9.823 4.588 -17.054 76 HD11 ILE 11 1HD1 ILE 11 -7.117 4.903 -14.671 77 HD12 ILE 11 2HD1 ILE 11 -8.075 4.449 -16.080 78 HD13 ILE 11 3HD1 ILE 11 -8.528 3.866 -14.479 79 H GLN 12 HN GLN 12 -13.241 5.748 -14.102 80 HA GLN 12 HA GLN 12 -14.734 5.760 -16.557 81 HB2 GLN 12 3HB GLN 12 -16.456 4.488 -15.264 82 HB3 GLN 12 2HB GLN 12 -14.875 3.737 -15.342 83 HG2 GLN 12 3HG GLN 12 -15.782 5.348 -12.976 84 HG3 GLN 12 2HG GLN 12 -16.103 3.624 -13.137 85 HE21 GLN 12 1HE2 GLN 12 -13.811 6.029 -12.331 86 HE22 GLN 12 2HE2 GLN 12 -12.498 4.957 -11.937 87 H GLY 13 HN GLY 13 -14.247 8.191 -14.627 88 HA2 GLY 13 2HA GLY 13 -16.974 9.185 -14.489 89 HA3 GLY 13 1HA GLY 13 -15.517 10.062 -14.037 90 H LEU 14 HN LEU 14 -14.818 8.749 -16.917 91 HA LEU 14 HA LEU 14 -14.698 9.426 -19.065 92 HB2 LEU 14 3HB LEU 14 -17.161 9.321 -18.967 93 HB3 LEU 14 2HB LEU 14 -17.201 10.998 -18.463 94 HG LEU 14 HG LEU 14 -16.197 11.650 -20.632 95 HD11 LEU 14 1HD1 LEU 14 -16.519 8.727 -21.293 96 HD12 LEU 14 2HD1 LEU 14 -15.001 9.615 -21.164 97 HD13 LEU 14 3HD1 LEU 14 -16.141 10.000 -22.452 98 HD21 LEU 14 1HD2 LEU 14 -18.616 11.681 -20.323 99 HD22 LEU 14 2HD2 LEU 14 -18.710 10.001 -20.848 100 HD23 LEU 14 3HD2 LEU 14 -18.189 11.251 -21.978 101 H LYS 15 HN LYS 15 -12.891 10.627 -17.670 102 HA LYS 15 HA LYS 15 -12.977 13.394 -18.683 103 HB2 LYS 15 3HB LYS 15 -11.453 12.237 -16.354 104 HB3 LYS 15 2HB LYS 15 -10.937 13.721 -17.133 105 HG2 LYS 15 3HG LYS 15 -12.199 14.429 -15.313 106 HG3 LYS 15 2HG LYS 15 -13.297 14.580 -16.683 107 HD2 LYS 15 3HD LYS 15 -14.530 13.610 -14.900 108 HD3 LYS 15 2HD LYS 15 -14.215 12.325 -16.068 109 HE2 LYS 15 3HE LYS 15 -13.863 11.535 -13.793 110 HE3 LYS 15 2HE LYS 15 -12.349 11.538 -14.693 111 HZ1 LYS 15 1HZ LYS 15 -12.124 12.416 -12.427 112 HZ2 LYS 15 2HZ LYS 15 -13.193 13.668 -12.806 113 HZ3 LYS 15 3HZ LYS 15 -11.703 13.561 -13.598 114 H SER 16 HN SER 16 -12.454 10.954 -20.154 115 HA SER 16 HA SER 16 -9.686 10.633 -20.638 116 HB2 SER 16 3HB SER 16 -10.619 9.552 -22.802 117 HB3 SER 16 2HB SER 16 -11.031 8.815 -21.253 118 HG SER 16 HG SER 16 -12.755 9.381 -22.958 119 H LEU 17 HN LEU 17 -11.979 12.957 -21.638 120 HA LEU 17 HA LEU 17 -10.628 13.814 -24.003 121 HB2 LEU 17 3HB LEU 17 -12.125 15.834 -23.726 122 HB3 LEU 17 2HB LEU 17 -12.925 14.292 -23.945 123 HG LEU 17 HG LEU 17 -13.065 14.297 -21.337 124 HD11 LEU 17 1HD1 LEU 17 -11.637 16.239 -20.978 125 HD12 LEU 17 2HD1 LEU 17 -13.267 16.516 -20.366 126 HD13 LEU 17 3HD1 LEU 17 -12.765 17.242 -21.892 127 HD21 LEU 17 1HD2 LEU 17 -14.984 14.373 -22.811 128 HD22 LEU 17 2HD2 LEU 17 -14.755 16.106 -23.053 129 HD23 LEU 17 3HD2 LEU 17 -15.200 15.488 -21.463 130 H ARG 18 HN ARG 18 -10.252 14.317 -20.673 131 HA ARG 18 HA ARG 18 -8.759 16.778 -20.879 132 HB2 ARG 18 3HB ARG 18 -10.164 15.982 -18.872 133 HB3 ARG 18 2HB ARG 18 -8.828 14.904 -18.513 134 HG2 ARG 18 3HG ARG 18 -8.245 17.795 -18.861 135 HG3 ARG 18 2HG ARG 18 -9.048 17.270 -17.385 136 HD2 ARG 18 3HD ARG 18 -7.217 15.651 -17.012 137 HD3 ARG 18 2HD ARG 18 -6.404 16.283 -18.444 138 HE ARG 18 HE ARG 18 -6.962 18.422 -16.723 139 HH11 ARG 18 1HH1 ARG 18 -4.916 15.576 -16.866 140 HH12 ARG 18 2HH1 ARG 18 -3.671 16.264 -15.865 141 HH21 ARG 18 1HH2 ARG 18 -5.338 19.311 -15.377 142 HH22 ARG 18 2HH2 ARG 18 -3.904 18.380 -15.029 143 H LYS 19 HN LYS 19 -7.453 15.740 -22.598 144 HA LYS 19 HA LYS 19 -4.966 14.725 -21.529 145 HB2 LYS 19 3HB LYS 19 -6.498 12.737 -21.844 146 HB3 LYS 19 2HB LYS 19 -6.499 13.093 -23.562 147 HG2 LYS 19 3HG LYS 19 -4.156 12.628 -23.719 148 HG3 LYS 19 2HG LYS 19 -4.029 12.456 -21.966 149 HD2 LYS 19 3HD LYS 19 -5.486 10.521 -22.021 150 HD3 LYS 19 2HD LYS 19 -5.723 10.720 -23.756 151 HE2 LYS 19 3HE LYS 19 -3.085 10.148 -22.415 152 HE3 LYS 19 2HE LYS 19 -4.101 8.944 -23.204 153 HZ1 LYS 19 1HZ LYS 19 -3.848 10.182 -25.283 154 HZ2 LYS 19 2HZ LYS 19 -2.359 9.662 -24.678 155 HZ3 LYS 19 3HZ LYS 19 -2.817 11.280 -24.511 156 H SER 20 HN SER 20 -6.274 16.958 -23.180 157 HA SER 20 HA SER 20 -4.223 16.963 -25.268 158 HB2 SER 20 3HB SER 20 -6.346 16.267 -26.332 159 HB3 SER 20 2HB SER 20 -7.117 17.739 -25.748 160 HG SER 20 HG SER 20 -5.177 17.406 -27.749 161 H HIS 21 HN HIS 21 -6.764 19.420 -25.101 162 HA HIS 21 HA HIS 21 -4.698 21.277 -24.120 163 HB2 HIS 21 3HB HIS 21 -7.017 21.768 -25.989 164 HB3 HIS 21 2HB HIS 21 -6.006 23.046 -25.324 165 HD1 HIS 21 1HD HIS 21 -6.302 20.939 -28.195 166 HD2 HIS 21 2HD HIS 21 -3.139 22.581 -26.062 167 HE1 HIS 21 1HE HIS 21 -4.317 20.811 -29.727 168 HE2 HIS 21 2HE HIS 21 -2.380 21.625 -28.340 169 H THR 22 HN THR 22 -7.533 19.773 -23.253 170 HA THR 22 HA THR 22 -9.129 21.602 -21.940 171 HB THR 22 HB THR 22 -8.462 19.181 -20.331 172 HG1 THR 22 1HG THR 22 -9.932 18.818 -22.702 173 HG21 THR 22 1HG2 THR 22 -10.902 18.987 -20.303 174 HG22 THR 22 2HG2 THR 22 -11.027 20.343 -21.424 175 HG23 THR 22 3HG2 THR 22 -10.388 20.597 -19.799 176 H SER 23 HN SER 23 -6.071 20.275 -20.493 177 HA SER 23 HA SER 23 -6.109 22.587 -18.698 178 HB2 SER 23 3HB SER 23 -5.114 19.853 -17.887 179 HB3 SER 23 2HB SER 23 -5.381 21.255 -16.853 180 HG SER 23 HG SER 23 -7.652 21.037 -17.404 181 H LEU 24 HN LEU 24 -4.122 19.875 -19.754 182 HA LEU 24 HA LEU 24 -1.947 19.696 -20.433 183 HB2 LEU 24 3HB LEU 24 -2.890 21.172 -22.221 184 HB3 LEU 24 2HB LEU 24 -2.303 22.558 -21.326 185 HG LEU 24 HG LEU 24 -0.004 21.848 -21.647 186 HD11 LEU 24 1HD1 LEU 24 0.513 19.920 -23.099 187 HD12 LEU 24 2HD1 LEU 24 -1.195 19.480 -23.083 188 HD13 LEU 24 3HD1 LEU 24 -0.261 19.452 -21.586 189 HD21 LEU 24 1HD2 LEU 24 -1.572 21.768 -24.219 190 HD22 LEU 24 2HD2 LEU 24 0.144 22.136 -24.058 191 HD23 LEU 24 3HD2 LEU 24 -1.058 23.225 -23.368 192 H GLU 25 HN GLU 25 -1.829 19.774 -17.972 193 HA GLU 25 HA GLU 25 -0.049 21.922 -17.053 194 HB2 GLU 25 3HB GLU 25 -1.531 19.764 -15.528 195 HB3 GLU 25 2HB GLU 25 -0.464 20.951 -14.794 196 HG2 GLU 25 3HG GLU 25 -2.971 21.613 -16.318 197 HG3 GLU 25 2HG GLU 25 -2.853 21.501 -14.562 198 H ASP 26 HN ASP 26 0.904 20.097 -18.918 199 HA ASP 26 HA ASP 26 2.512 18.583 -19.404 200 HB2 ASP 26 3HB ASP 26 3.719 20.118 -17.660 201 HB3 ASP 26 2HB ASP 26 3.557 18.731 -16.589 202 H ASP 27 HN ASP 27 3.639 16.468 -18.037 203 HA ASP 27 HA ASP 27 1.263 14.849 -17.545 204 HB2 ASP 27 3HB ASP 27 4.155 14.073 -17.947 205 HB3 ASP 27 2HB ASP 27 2.867 12.920 -17.609 206 H ASP 28 HN ASP 28 3.120 16.739 -15.757 207 HA ASP 28 HA ASP 28 3.580 14.997 -13.504 208 HB2 ASP 28 3HB ASP 28 5.102 16.924 -14.111 209 HB3 ASP 28 2HB ASP 28 3.823 18.002 -13.562 210 H ASP 29 HN ASP 29 1.560 17.744 -14.258 211 HA ASP 29 HA ASP 29 -0.344 18.586 -13.350 212 HB2 ASP 29 3HB ASP 29 -0.692 15.631 -13.121 213 HB3 ASP 29 2HB ASP 29 -1.874 16.679 -12.347 214 H GLY 30 HN GLY 30 1.230 19.512 -11.740 215 HA2 GLY 30 2HA GLY 30 1.388 18.362 -9.136 216 HA3 GLY 30 1HA GLY 30 1.888 19.983 -9.589 217 H SER 31 HN SER 31 -1.078 20.108 -10.687 218 HA SER 31 HA SER 31 -2.068 21.265 -8.201 219 HB2 SER 31 3HB SER 31 -2.088 22.597 -10.318 220 HB3 SER 31 2HB SER 31 -3.258 21.456 -10.980 221 HG SER 31 HG SER 31 -4.597 22.009 -9.130 222 H ARG 32 HN ARG 32 -2.046 18.298 -9.062 223 HA ARG 32 HA ARG 32 -4.515 17.645 -7.775 224 HB2 ARG 32 3HB ARG 32 -5.411 16.223 -9.607 225 HB3 ARG 32 2HB ARG 32 -5.435 17.936 -9.996 226 HG2 ARG 32 3HG ARG 32 -3.341 17.605 -11.293 227 HG3 ARG 32 2HG ARG 32 -3.491 15.872 -10.999 228 HD2 ARG 32 3HD ARG 32 -5.656 17.515 -12.292 229 HD3 ARG 32 2HD ARG 32 -4.379 16.722 -13.211 230 HE ARG 32 HE ARG 32 -5.361 14.671 -11.806 231 HH11 ARG 32 1HH1 ARG 32 -7.023 17.193 -13.570 232 HH12 ARG 32 2HH1 ARG 32 -8.317 16.166 -14.085 233 HH21 ARG 32 1HH2 ARG 32 -7.056 13.304 -12.485 234 HH22 ARG 32 2HH2 ARG 32 -8.338 13.938 -13.470 235 H GLY 33 HN GLY 33 -4.754 15.103 -7.854 236 HA2 GLY 33 2HA GLY 33 -2.085 14.118 -7.138 237 HA3 GLY 33 1HA GLY 33 -3.611 13.447 -6.584 238 H GLY 34 HN GLY 34 -1.054 13.059 -8.684 239 HA2 GLY 34 2HA GLY 34 -2.621 11.473 -10.595 240 HA3 GLY 34 1HA GLY 34 -0.967 12.017 -10.825 241 H ASP 35 HN ASP 35 -1.405 10.864 -7.718 242 HA ASP 35 HA ASP 35 0.148 8.491 -8.256 243 HB2 ASP 35 3HB ASP 35 -1.098 9.363 -5.625 244 HB3 ASP 35 2HB ASP 35 0.078 8.082 -5.845 245 H CYS 36 HN CYS 36 -1.620 7.702 -9.746 246 HA CYS 36 HA CYS 36 -3.983 6.644 -8.436 247 HB2 CYS 36 3HB CYS 36 -3.207 6.387 -11.342 248 HB3 CYS 36 2HB CYS 36 -4.811 6.217 -10.635 249 HG CYS 36 HG CYS 36 -4.717 9.008 -9.767 250 H GLU 37 HN GLU 37 -3.106 5.039 -7.147 251 HA GLU 37 HA GLU 37 -3.040 2.482 -8.381 252 HB2 GLU 37 3HB GLU 37 -0.670 3.235 -8.736 253 HB3 GLU 37 2HB GLU 37 -0.492 3.349 -6.991 254 HG2 GLU 37 3HG GLU 37 -0.843 0.986 -6.748 255 HG3 GLU 37 2HG GLU 37 -1.206 0.829 -8.465 256 H GLY 38 HN GLY 38 -4.882 2.903 -6.906 257 HA2 GLY 38 2HA GLY 38 -5.922 2.046 -4.962 258 HA3 GLY 38 1HA GLY 38 -4.321 1.746 -4.297 259 H CYS 39 HN CYS 39 -3.108 3.518 -3.503 260 HA CYS 39 HA CYS 39 -4.137 6.152 -3.320 261 HB2 CYS 39 3HB CYS 39 -4.161 5.966 -0.668 262 HB3 CYS 39 2HB CYS 39 -5.607 5.660 -1.619 263 H SER 40 HN SER 40 -1.937 6.205 -4.262 264 HA SER 40 HA SER 40 0.163 5.074 -2.624 265 HB2 SER 40 3HB SER 40 0.816 6.498 -5.137 266 HB3 SER 40 2HB SER 40 1.369 4.939 -4.529 267 HG SER 40 HG SER 40 -0.658 4.066 -5.094 268 H GLY 41 HN GLY 41 2.283 6.365 -2.590 269 HA2 GLY 41 2HA GLY 41 3.312 8.565 -2.158 270 HA3 GLY 41 1HA GLY 41 1.689 9.191 -1.889 271 H THR 42 HN THR 42 0.797 7.020 -0.215 272 HA THR 42 HA THR 42 1.807 7.915 2.298 273 HB THR 42 HB THR 42 0.112 5.458 1.893 274 HG1 THR 42 1HG THR 42 -0.533 8.166 1.446 275 HG21 THR 42 1HG2 THR 42 0.817 5.984 4.181 276 HG22 THR 42 2HG2 THR 42 -0.925 6.197 3.991 277 HG23 THR 42 3HG2 THR 42 0.138 7.604 4.021 278 H ALA 43 HN ALA 43 2.741 6.499 3.929 279 HA ALA 43 HA ALA 43 4.330 4.273 2.804 280 HB1 ALA 43 1HB ALA 43 5.734 6.222 3.302 281 HB2 ALA 43 2HB ALA 43 6.110 4.868 4.366 282 HB3 ALA 43 3HB ALA 43 5.149 6.220 4.964 283 H CYS 44 HN CYS 44 3.420 2.493 3.461 284 HA CYS 44 HA CYS 44 2.631 2.221 6.279 285 HB2 CYS 44 3HB CYS 44 1.616 0.071 5.419 286 HB3 CYS 44 2HB CYS 44 0.877 1.569 4.859 287 H SER 45 HN SER 45 3.857 1.189 7.630 288 HA SER 45 HA SER 45 6.158 -0.295 6.682 289 HB2 SER 45 3HB SER 45 5.308 -0.159 9.580 290 HB3 SER 45 2HB SER 45 6.929 -0.299 8.902 291 HG SER 45 HG SER 45 6.846 1.834 8.254 292 H SER 46 HN SER 46 2.930 -0.810 7.643 293 HA SER 46 HA SER 46 3.404 -3.695 7.647 294 HB2 SER 46 3HB SER 46 1.067 -2.165 8.815 295 HB3 SER 46 2HB SER 46 1.278 -3.915 8.866 296 HG SER 46 HG SER 46 3.092 -3.630 10.163 297 H ASP 47 HN ASP 47 2.313 -4.889 6.194 298 HA ASP 47 HA ASP 47 1.499 -3.790 3.792 299 HB2 ASP 47 3HB ASP 47 2.348 -6.109 4.131 300 HB3 ASP 47 2HB ASP 47 0.800 -6.540 4.840 301 H ALA 48 HN ALA 48 -0.548 -5.192 6.377 302 HA ALA 48 HA ALA 48 -2.881 -5.140 4.925 303 HB1 ALA 48 1HB ALA 48 -2.493 -5.071 7.900 304 HB2 ALA 48 2HB ALA 48 -2.566 -6.514 6.889 305 HB3 ALA 48 3HB ALA 48 -3.993 -5.494 7.074 306 H GLN 49 HN GLN 49 -1.322 -2.571 6.674 307 HA GLN 49 HA GLN 49 -3.711 -1.208 7.352 308 HB2 GLN 49 3HB GLN 49 -2.303 0.644 8.075 309 HB3 GLN 49 2HB GLN 49 -1.716 -0.887 8.695 310 HG2 GLN 49 3HG GLN 49 -0.028 -0.886 6.851 311 HG3 GLN 49 2HG GLN 49 -0.564 0.743 6.453 312 HE21 GLN 49 1HE2 GLN 49 -0.402 -0.455 9.735 313 HE22 GLN 49 2HE2 GLN 49 0.926 0.540 10.231 314 H CYS 50 HN CYS 50 -1.520 -0.958 4.558 315 HA CYS 50 HA CYS 50 -3.221 1.242 3.600 316 HB2 CYS 50 3HB CYS 50 -0.518 0.304 2.720 317 HB3 CYS 50 2HB CYS 50 -1.540 1.243 1.644 318 H ARG 51 HN ARG 51 -1.967 -1.893 2.602 319 HA ARG 51 HA ARG 51 -3.381 -2.484 0.396 320 HB2 ARG 51 3HB ARG 51 -1.952 -4.117 1.215 321 HB3 ARG 51 2HB ARG 51 -2.653 -4.075 2.825 322 HG2 ARG 51 3HG ARG 51 -4.749 -4.935 1.660 323 HG3 ARG 51 2HG ARG 51 -3.645 -5.419 0.367 324 HD2 ARG 51 3HD ARG 51 -2.257 -6.443 2.265 325 HD3 ARG 51 2HD ARG 51 -3.732 -6.277 3.226 326 HE ARG 51 HE ARG 51 -4.823 -7.761 1.621 327 HH11 ARG 51 1HH1 ARG 51 -1.315 -7.665 1.634 328 HH12 ARG 51 2HH1 ARG 51 -1.150 -9.195 0.821 329 HH21 ARG 51 1HH2 ARG 51 -4.602 -9.791 0.586 330 HH22 ARG 51 2HH2 ARG 51 -3.019 -10.417 0.250 331 H ALA 52 HN ALA 52 -4.668 -3.034 3.728 332 HA ALA 52 HA ALA 52 -7.275 -3.644 2.674 333 HB1 ALA 52 1HB ALA 52 -6.429 -3.145 5.526 334 HB2 ALA 52 2HB ALA 52 -6.468 -4.714 4.721 335 HB3 ALA 52 3HB ALA 52 -7.968 -3.830 5.003 336 H ARG 53 HN ARG 53 -5.576 -0.834 3.461 337 HA ARG 53 HA ARG 53 -7.833 0.845 4.006 338 HB2 ARG 53 3HB ARG 53 -5.449 1.433 4.593 339 HB3 ARG 53 2HB ARG 53 -5.181 1.747 2.885 340 HG2 ARG 53 3HG ARG 53 -6.968 3.458 2.961 341 HG3 ARG 53 2HG ARG 53 -7.104 3.188 4.697 342 HD2 ARG 53 3HD ARG 53 -5.730 5.099 4.395 343 HD3 ARG 53 2HD ARG 53 -4.674 3.776 4.882 344 HE ARG 53 HE ARG 53 -4.583 3.716 2.165 345 HH11 ARG 53 1HH1 ARG 53 -4.006 6.194 4.567 346 HH12 ARG 53 2HH1 ARG 53 -2.865 7.058 3.588 347 HH21 ARG 53 1HH2 ARG 53 -3.062 4.850 0.873 348 HH22 ARG 53 2HH2 ARG 53 -2.315 6.291 1.498 349 H GLY 54 HN GLY 54 -6.745 -0.689 1.237 350 HA2 GLY 54 2HA GLY 54 -8.203 -0.544 -0.706 351 HA3 GLY 54 1HA GLY 54 -8.286 1.189 -0.436 352 H CYS 55 HN CYS 55 -5.177 0.698 0.195 353 HA CYS 55 HA CYS 55 -4.304 1.577 -2.346 354 HB2 CYS 55 3HB CYS 55 -2.809 0.709 0.122 355 HB3 CYS 55 2HB CYS 55 -1.954 1.070 -1.375 356 H ASP 56 HN ASP 56 -2.702 -1.319 -0.966 357 HA ASP 56 HA ASP 56 -3.888 -3.332 -2.386 358 HB2 ASP 56 3HB ASP 56 -3.220 -2.205 -4.469 359 HB3 ASP 56 2HB ASP 56 -1.540 -2.212 -3.945 360 H GLY 57 HN GLY 57 -0.510 -2.108 -1.746 361 HA2 GLY 57 2HA GLY 57 -0.203 -3.982 0.366 362 HA3 GLY 57 1HA GLY 57 0.627 -4.523 -1.088 363 H CYS 58 HN CYS 58 2.020 -3.984 1.158 364 HA CYS 58 HA CYS 58 3.262 -1.381 0.648 365 HB2 CYS 58 3HB CYS 58 3.519 -3.147 3.093 366 HB3 CYS 58 2HB CYS 58 4.097 -1.489 2.910 367 H SER 59 HN SER 59 5.147 -1.331 -0.339 368 HA SER 59 HA SER 59 6.389 -3.932 -0.864 369 HB2 SER 59 3HB SER 59 6.781 -1.255 -2.215 370 HB3 SER 59 2HB SER 59 7.599 -2.749 -2.684 371 HG SER 59 HG SER 59 4.789 -2.322 -2.644 372 H THR 60 HN THR 60 8.923 -3.705 -1.244 373 HA THR 60 HA THR 60 10.140 -3.763 1.185 374 HB THR 60 HB THR 60 12.177 -2.810 -0.424 375 HG1 THR 60 1HG THR 60 11.638 -3.150 -2.454 376 HG21 THR 60 1HG2 THR 60 12.660 -5.201 -0.779 377 HG22 THR 60 2HG2 THR 60 11.050 -5.601 -0.182 378 HG23 THR 60 3HG2 THR 60 12.229 -4.854 0.894 379 H SER 61 HN SER 61 9.628 -0.717 -0.600 380 HA SER 61 HA SER 61 11.420 0.732 1.095 381 HB2 SER 61 3HB SER 61 11.131 1.424 -1.237 382 HB3 SER 61 2HB SER 61 9.424 1.756 -0.935 383 HG SER 61 HG SER 61 10.367 3.205 0.806 384 H GLY 62 HN GLY 62 8.393 -0.442 1.625 385 HA2 GLY 62 2HA GLY 62 6.964 -0.096 3.405 386 HA3 GLY 62 1HA GLY 62 8.018 1.203 3.947 387 H VAL 63 HN VAL 63 6.440 0.888 0.818 388 HA VAL 63 HA VAL 63 4.959 3.355 1.409 389 HB VAL 63 HB VAL 63 5.032 3.803 -1.077 390 HG11 VAL 63 1HG1 VAL 63 7.677 3.707 0.364 391 HG12 VAL 63 2HG1 VAL 63 6.459 4.971 0.531 392 HG13 VAL 63 3HG1 VAL 63 7.278 4.734 -1.014 393 HG21 VAL 63 1HG2 VAL 63 6.677 2.704 -2.431 394 HG22 VAL 63 2HG2 VAL 63 5.626 1.472 -1.734 395 HG23 VAL 63 3HG2 VAL 63 7.232 1.747 -1.063 396 H CYS 64 HN CYS 64 2.907 3.607 0.112 397 HA CYS 64 HA CYS 64 1.519 1.026 0.258 398 HB2 CYS 64 3HB CYS 64 0.281 3.789 0.197 399 HB3 CYS 64 2HB CYS 64 -0.470 2.284 0.678 400 H VAL 65 HN VAL 65 1.145 0.082 -1.624 401 HA VAL 65 HA VAL 65 0.781 1.597 -4.102 402 HB VAL 65 HB VAL 65 2.794 0.842 -5.147 403 HG11 VAL 65 1HG1 VAL 65 3.165 2.719 -3.687 404 HG12 VAL 65 2HG1 VAL 65 4.575 1.655 -3.666 405 HG13 VAL 65 3HG1 VAL 65 3.419 1.623 -2.327 406 HG21 VAL 65 1HG2 VAL 65 2.599 -1.452 -3.958 407 HG22 VAL 65 2HG2 VAL 65 3.630 -0.715 -2.726 408 HG23 VAL 65 3HG2 VAL 65 4.200 -0.847 -4.387 409 H LEU 66 HN LEU 66 0.960 -0.157 -6.020 410 HA LEU 66 HA LEU 66 -0.426 -2.585 -5.450 411 HB2 LEU 66 3HB LEU 66 -0.508 -1.711 -7.682 412 HB3 LEU 66 2HB LEU 66 1.239 -1.652 -7.788 413 HG LEU 66 HG LEU 66 1.268 -4.151 -7.712 414 HD11 LEU 66 1HD1 LEU 66 -1.709 -3.825 -8.006 415 HD12 LEU 66 2HD1 LEU 66 -0.863 -4.535 -6.631 416 HD13 LEU 66 3HD1 LEU 66 -0.821 -5.334 -8.202 417 HD21 LEU 66 1HD2 LEU 66 1.448 -2.943 -9.818 418 HD22 LEU 66 2HD2 LEU 66 -0.311 -2.899 -9.951 419 HD23 LEU 66 3HD2 LEU 66 0.540 -4.440 -10.023 420 H SER 67 HN SER 67 0.457 -4.318 -4.395 421 HA SER 67 HA SER 67 2.915 -4.232 -3.129 422 HB2 SER 67 3HB SER 67 1.645 -6.847 -3.969 423 HB3 SER 67 2HB SER 67 2.503 -6.463 -2.478 424 HG SER 67 HG SER 67 -0.045 -5.481 -3.280 425 H SER 68 HN SER 68 4.946 -4.038 -4.286 426 HA SER 68 HA SER 68 5.323 -5.951 -6.490 427 HB2 SER 68 3HB SER 68 5.747 -3.672 -7.189 428 HB3 SER 68 2HB SER 68 6.842 -3.407 -5.828 429 HG SER 68 HG SER 68 7.868 -3.870 -7.880 430 H LEU 69 HN LEU 69 5.493 -7.601 -4.913 431 HA LEU 69 HA LEU 69 8.195 -8.028 -3.951 432 HB2 LEU 69 3HB LEU 69 5.793 -7.965 -2.116 433 HB3 LEU 69 2HB LEU 69 7.297 -8.758 -1.697 434 HG LEU 69 HG LEU 69 6.992 -5.804 -2.246 435 HD11 LEU 69 1HD1 LEU 69 7.299 -7.318 0.343 436 HD12 LEU 69 2HD1 LEU 69 5.864 -6.445 -0.197 437 HD13 LEU 69 3HD1 LEU 69 7.346 -5.563 0.171 438 HD21 LEU 69 1HD2 LEU 69 9.212 -6.632 -2.800 439 HD22 LEU 69 2HD2 LEU 69 9.332 -7.414 -1.226 440 HD23 LEU 69 3HD2 LEU 69 9.262 -5.656 -1.335 441 H HIS 70 HN HIS 70 8.429 -10.313 -3.172 442 HA HIS 70 HA HIS 70 6.827 -12.034 -4.878 443 HB2 HIS 70 3HB HIS 70 9.367 -12.171 -4.667 444 HB3 HIS 70 2HB HIS 70 9.098 -12.893 -3.085 445 HD1 HIS 70 1HD HIS 70 9.007 -15.367 -3.103 446 HD2 HIS 70 2HD HIS 70 7.931 -13.751 -6.779 447 HE1 HIS 70 1HE HIS 70 8.634 -17.334 -4.625 448 HE2 HIS 70 2HE HIS 70 8.051 -16.331 -6.861 449 H HIS 71 HN HIS 71 5.211 -11.047 -3.031 450 HA HIS 71 HA HIS 71 4.547 -13.422 -1.442 451 HB2 HIS 71 3HB HIS 71 4.455 -10.566 -0.432 452 HB3 HIS 71 2HB HIS 71 3.687 -11.923 0.381 453 HD1 HIS 71 1HD HIS 71 5.280 -13.659 1.541 454 HD2 HIS 71 2HD HIS 71 7.180 -10.321 -0.044 455 HE1 HIS 71 1HE HIS 71 7.580 -13.650 2.548 456 HE2 HIS 71 2HE HIS 71 8.771 -11.752 1.401 457 H HIS 72 HN HIS 72 3.183 -13.766 -3.321 458 HA HIS 72 HA HIS 72 1.279 -11.787 -4.107 459 HB2 HIS 72 3HB HIS 72 2.181 -13.465 -5.680 460 HB3 HIS 72 2HB HIS 72 1.343 -14.731 -4.791 461 HD1 HIS 72 1HD HIS 72 -1.088 -15.126 -5.356 462 HD2 HIS 72 2HD HIS 72 0.431 -11.656 -7.074 463 HE1 HIS 72 1HE HIS 72 -2.876 -14.306 -6.916 464 HE2 HIS 72 2HE HIS 72 -1.865 -12.308 -8.072 465 H HIS 73 HN HIS 73 1.242 -14.423 -1.827 466 HA HIS 73 HA HIS 73 -1.658 -14.010 -1.488 467 HB2 HIS 73 3HB HIS 73 -0.711 -16.342 -2.162 468 HB3 HIS 73 2HB HIS 73 -0.206 -16.443 -0.479 469 HD1 HIS 73 1HD HIS 73 -1.895 -17.395 1.073 470 HD2 HIS 73 2HD HIS 73 -3.635 -15.846 -2.370 471 HE1 HIS 73 1HE HIS 73 -4.342 -17.964 1.233 472 HE2 HIS 73 2HE HIS 73 -5.371 -17.044 -0.874 473 H HIS 74 HN HIS 74 0.200 -12.270 -0.415 474 HA HIS 74 HA HIS 74 0.697 -11.140 1.467 475 HB2 HIS 74 3HB HIS 74 -1.667 -11.566 2.069 476 HB3 HIS 74 2HB HIS 74 -1.175 -13.053 2.871 477 HD1 HIS 74 1HD HIS 74 -0.977 -12.791 5.309 478 HD2 HIS 74 2HD HIS 74 -0.125 -9.245 3.308 479 HE1 HIS 74 1HE HIS 74 -0.501 -11.094 7.102 480 HE2 HIS 74 2HE HIS 74 -0.160 -8.929 5.875 481 H HIS 75 HN HIS 75 0.284 -14.312 3.034 482 HA HIS 75 HA HIS 75 3.067 -14.877 3.064 483 HB2 HIS 75 3HB HIS 75 2.751 -12.944 4.759 484 HB3 HIS 75 2HB HIS 75 1.980 -14.156 5.775 485 HD1 HIS 75 1HD HIS 75 5.228 -12.821 4.834 486 HD2 HIS 75 2HD HIS 75 3.784 -16.354 6.467 487 HE1 HIS 75 1HE HIS 75 7.223 -13.960 5.841 488 HE2 HIS 75 2HE HIS 75 6.291 -15.999 6.986 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -16.028 11.188 -10.417 2 H2 MET 1 2HT MET 1 -15.690 12.758 -10.941 3 H3 MET 1 3HT MET 1 -14.422 11.661 -10.680 4 HA MET 1 HA MET 1 -16.533 11.409 -12.744 5 HB2 MET 1 3HB MET 1 -13.594 12.092 -12.980 6 HB3 MET 1 2HB MET 1 -14.652 11.749 -14.339 7 HG2 MET 1 3HG MET 1 -15.014 14.024 -12.404 8 HG3 MET 1 2HG MET 1 -14.253 14.151 -13.987 9 HE1 MET 1 1HE MET 1 -17.188 13.546 -16.442 10 HE2 MET 1 2HE MET 1 -16.031 12.347 -15.866 11 HE3 MET 1 3HE MET 1 -15.489 13.981 -16.256 12 H CYS 2 HN CYS 2 -13.194 10.348 -12.233 13 HA CYS 2 HA CYS 2 -13.869 7.634 -11.756 14 HB2 CYS 2 3HB CYS 2 -12.745 6.749 -13.843 15 HB3 CYS 2 2HB CYS 2 -14.327 7.477 -14.097 16 HG CYS 2 HG CYS 2 -11.662 9.502 -14.515 17 H GLU 3 HN GLU 3 -12.550 8.449 -10.002 18 HA GLU 3 HA GLU 3 -9.883 9.372 -10.557 19 HB2 GLU 3 3HB GLU 3 -11.372 8.884 -7.980 20 HB3 GLU 3 2HB GLU 3 -9.719 9.473 -8.041 21 HG2 GLU 3 3HG GLU 3 -11.127 11.345 -7.715 22 HG3 GLU 3 2HG GLU 3 -10.543 11.415 -9.376 23 H PHE 4 HN PHE 4 -10.540 6.602 -11.283 24 HA PHE 4 HA PHE 4 -8.600 5.191 -9.537 25 HB2 PHE 4 3HB PHE 4 -9.561 3.101 -10.590 26 HB3 PHE 4 2HB PHE 4 -10.659 3.993 -9.545 27 HD1 PHE 4 1HD PHE 4 -9.862 3.141 -13.035 28 HD2 PHE 4 2HD PHE 4 -12.644 4.978 -10.394 29 HE1 PHE 4 1HE PHE 4 -11.530 3.203 -14.841 30 HE2 PHE 4 2HE PHE 4 -14.318 5.042 -12.193 31 HZ PHE 4 HZ PHE 4 -13.763 4.156 -14.419 32 H ILE 5 HN ILE 5 -8.119 7.068 -11.779 33 HA ILE 5 HA ILE 5 -6.199 5.513 -13.232 34 HB ILE 5 HB ILE 5 -6.996 6.335 -15.526 35 HG12 ILE 5 3HG1 ILE 5 -9.676 6.334 -14.100 36 HG13 ILE 5 2HG1 ILE 5 -8.876 7.762 -14.744 37 HG21 ILE 5 1HG2 ILE 5 -8.324 4.304 -15.845 38 HG22 ILE 5 2HG2 ILE 5 -8.396 4.106 -14.095 39 HG23 ILE 5 3HG2 ILE 5 -6.845 4.028 -14.926 40 HD11 ILE 5 1HD1 ILE 5 -9.845 5.412 -16.343 41 HD12 ILE 5 2HD1 ILE 5 -9.050 6.847 -16.990 42 HD13 ILE 5 3HD1 ILE 5 -10.630 6.987 -16.218 43 H GLU 6 HN GLU 6 -7.790 8.584 -14.027 44 HA GLU 6 HA GLU 6 -5.481 9.993 -14.608 45 HB2 GLU 6 3HB GLU 6 -7.806 10.748 -15.088 46 HB3 GLU 6 2HB GLU 6 -7.999 11.134 -13.388 47 HG2 GLU 6 3HG GLU 6 -6.178 12.768 -13.569 48 HG3 GLU 6 2HG GLU 6 -6.049 12.409 -15.292 49 H ASP 7 HN ASP 7 -7.051 9.392 -11.594 50 HA ASP 7 HA ASP 7 -5.462 11.212 -10.046 51 HB2 ASP 7 3HB ASP 7 -7.706 10.591 -9.297 52 HB3 ASP 7 2HB ASP 7 -7.225 8.904 -9.190 53 H SER 8 HN SER 8 -5.266 7.923 -11.044 54 HA SER 8 HA SER 8 -3.321 7.119 -9.093 55 HB2 SER 8 3HB SER 8 -4.898 5.514 -10.132 56 HB3 SER 8 2HB SER 8 -4.115 5.773 -11.689 57 HG SER 8 HG SER 8 -2.738 4.866 -9.382 58 H GLU 9 HN GLU 9 -3.252 8.399 -12.345 59 HA GLU 9 HA GLU 9 -0.460 7.784 -12.730 60 HB2 GLU 9 3HB GLU 9 -2.407 9.390 -14.383 61 HB3 GLU 9 2HB GLU 9 -0.759 9.019 -14.868 62 HG2 GLU 9 3HG GLU 9 -1.275 6.639 -14.832 63 HG3 GLU 9 2HG GLU 9 -2.922 7.002 -14.321 64 H ASP 10 HN ASP 10 -2.337 10.396 -11.513 65 HA ASP 10 HA ASP 10 -1.818 12.385 -10.575 66 HB2 ASP 10 3HB ASP 10 -0.287 11.112 -9.203 67 HB3 ASP 10 2HB ASP 10 0.941 11.154 -10.461 68 H ILE 11 HN ILE 11 1.413 12.320 -11.938 69 HA ILE 11 HA ILE 11 0.724 14.663 -13.530 70 HB ILE 11 HB ILE 11 3.396 13.393 -12.907 71 HG12 ILE 11 3HG1 ILE 11 2.394 14.530 -11.008 72 HG13 ILE 11 2HG1 ILE 11 3.759 15.464 -11.606 73 HG21 ILE 11 1HG2 ILE 11 4.430 15.346 -13.958 74 HG22 ILE 11 2HG2 ILE 11 2.839 15.916 -14.462 75 HG23 ILE 11 3HG2 ILE 11 3.485 14.411 -15.118 76 HD11 ILE 11 1HD1 ILE 11 2.182 16.949 -12.786 77 HD12 ILE 11 2HD1 ILE 11 1.952 16.939 -11.038 78 HD13 ILE 11 3HD1 ILE 11 0.844 16.045 -12.077 79 H GLN 12 HN GLN 12 1.381 11.310 -13.922 80 HA GLN 12 HA GLN 12 2.260 11.410 -16.638 81 HB2 GLN 12 3HB GLN 12 1.228 9.170 -14.903 82 HB3 GLN 12 2HB GLN 12 1.739 8.926 -16.566 83 HG2 GLN 12 3HG GLN 12 3.979 9.659 -16.020 84 HG3 GLN 12 2HG GLN 12 3.490 10.015 -14.370 85 HE21 GLN 12 1HE2 GLN 12 2.443 7.198 -16.186 86 HE22 GLN 12 2HE2 GLN 12 3.294 6.039 -15.223 87 H GLY 13 HN GLY 13 -0.790 11.486 -15.062 88 HA2 GLY 13 2HA GLY 13 -2.215 10.891 -17.552 89 HA3 GLY 13 1HA GLY 13 -2.942 11.053 -15.961 90 H LEU 14 HN LEU 14 -0.746 13.510 -16.384 91 HA LEU 14 HA LEU 14 -2.798 15.341 -17.427 92 HB2 LEU 14 3HB LEU 14 -0.886 15.817 -15.141 93 HB3 LEU 14 2HB LEU 14 -1.903 17.049 -15.855 94 HG LEU 14 HG LEU 14 -2.903 14.583 -14.430 95 HD11 LEU 14 1HD1 LEU 14 -3.574 16.144 -12.679 96 HD12 LEU 14 2HD1 LEU 14 -2.813 17.467 -13.562 97 HD13 LEU 14 3HD1 LEU 14 -1.826 16.155 -12.916 98 HD21 LEU 14 1HD2 LEU 14 -4.444 15.336 -16.158 99 HD22 LEU 14 2HD2 LEU 14 -4.376 16.979 -15.522 100 HD23 LEU 14 3HD2 LEU 14 -5.087 15.687 -14.555 101 H LYS 15 HN LYS 15 -1.692 14.997 -19.465 102 HA LYS 15 HA LYS 15 1.122 15.684 -19.568 103 HB2 LYS 15 3HB LYS 15 -0.707 14.737 -21.776 104 HB3 LYS 15 2HB LYS 15 1.029 14.963 -21.913 105 HG2 LYS 15 3HG LYS 15 0.968 13.340 -19.787 106 HG3 LYS 15 2HG LYS 15 -0.498 12.804 -20.605 107 HD2 LYS 15 3HD LYS 15 1.294 11.441 -21.380 108 HD3 LYS 15 2HD LYS 15 0.851 12.536 -22.689 109 HE2 LYS 15 3HE LYS 15 3.281 12.331 -22.456 110 HE3 LYS 15 2HE LYS 15 2.734 13.977 -22.148 111 HZ1 LYS 15 1HZ LYS 15 4.397 13.205 -20.541 112 HZ2 LYS 15 2HZ LYS 15 3.350 11.978 -20.039 113 HZ3 LYS 15 3HZ LYS 15 2.934 13.596 -19.795 114 H SER 16 HN SER 16 -1.643 17.483 -19.699 115 HA SER 16 HA SER 16 -0.606 19.445 -21.559 116 HB2 SER 16 3HB SER 16 -2.903 19.671 -19.590 117 HB3 SER 16 2HB SER 16 -2.539 20.798 -20.897 118 HG SER 16 HG SER 16 -2.754 18.209 -21.749 119 H LEU 17 HN LEU 17 -0.324 18.568 -18.286 120 HA LEU 17 HA LEU 17 0.656 21.176 -17.432 121 HB2 LEU 17 3HB LEU 17 0.118 18.585 -16.013 122 HB3 LEU 17 2HB LEU 17 1.055 19.851 -15.249 123 HG LEU 17 HG LEU 17 -0.901 21.383 -15.509 124 HD11 LEU 17 1HD1 LEU 17 -2.016 20.241 -17.364 125 HD12 LEU 17 2HD1 LEU 17 -3.092 20.438 -15.981 126 HD13 LEU 17 3HD1 LEU 17 -2.360 18.871 -16.312 127 HD21 LEU 17 1HD2 LEU 17 -0.476 20.293 -13.405 128 HD22 LEU 17 2HD2 LEU 17 -1.314 18.840 -13.950 129 HD23 LEU 17 3HD2 LEU 17 -2.214 20.337 -13.703 130 H ARG 18 HN ARG 18 1.729 18.182 -18.569 131 HA ARG 18 HA ARG 18 3.731 17.349 -19.188 132 HB2 ARG 18 3HB ARG 18 4.063 19.822 -19.882 133 HB3 ARG 18 2HB ARG 18 5.100 19.919 -18.466 134 HG2 ARG 18 3HG ARG 18 6.585 18.278 -19.340 135 HG3 ARG 18 2HG ARG 18 5.471 17.885 -20.650 136 HD2 ARG 18 3HD ARG 18 7.094 19.232 -21.654 137 HD3 ARG 18 2HD ARG 18 5.737 20.316 -21.372 138 HE ARG 18 HE ARG 18 7.881 20.233 -19.386 139 HH11 ARG 18 1HH1 ARG 18 6.196 21.983 -21.911 140 HH12 ARG 18 2HH1 ARG 18 7.041 23.469 -21.614 141 HH21 ARG 18 1HH2 ARG 18 8.990 22.180 -18.997 142 HH22 ARG 18 2HH2 ARG 18 8.623 23.582 -19.956 143 H LYS 19 HN LYS 19 4.818 19.540 -16.619 144 HA LYS 19 HA LYS 19 5.521 17.154 -15.052 145 HB2 LYS 19 3HB LYS 19 6.920 19.834 -15.150 146 HB3 LYS 19 2HB LYS 19 7.242 18.616 -13.924 147 HG2 LYS 19 3HG LYS 19 7.614 18.272 -16.892 148 HG3 LYS 19 2HG LYS 19 8.893 18.547 -15.707 149 HD2 LYS 19 3HD LYS 19 8.299 16.449 -14.587 150 HD3 LYS 19 2HD LYS 19 7.029 16.175 -15.779 151 HE2 LYS 19 3HE LYS 19 8.739 16.149 -17.551 152 HE3 LYS 19 2HE LYS 19 9.989 16.335 -16.323 153 HZ1 LYS 19 1HZ LYS 19 9.198 14.240 -15.329 154 HZ2 LYS 19 2HZ LYS 19 9.786 14.038 -16.901 155 HZ3 LYS 19 3HZ LYS 19 8.119 14.049 -16.619 156 H SER 20 HN SER 20 3.992 20.296 -15.037 157 HA SER 20 HA SER 20 2.095 19.778 -13.160 158 HB2 SER 20 3HB SER 20 3.913 19.464 -11.496 159 HB3 SER 20 2HB SER 20 4.459 21.111 -11.792 160 HG SER 20 HG SER 20 1.795 20.598 -11.013 161 H HIS 21 HN HIS 21 4.242 22.606 -12.859 162 HA HIS 21 HA HIS 21 2.061 24.242 -13.987 163 HB2 HIS 21 3HB HIS 21 2.665 24.567 -11.547 164 HB3 HIS 21 2HB HIS 21 4.231 25.156 -12.088 165 HD1 HIS 21 1HD HIS 21 4.339 27.619 -12.141 166 HD2 HIS 21 2HD HIS 21 0.496 26.223 -12.916 167 HE1 HIS 21 1HE HIS 21 2.921 29.672 -12.461 168 HE2 HIS 21 2HE HIS 21 0.603 28.814 -12.964 169 H THR 22 HN THR 22 4.712 22.849 -14.925 170 HA THR 22 HA THR 22 6.705 24.599 -15.674 171 HB THR 22 HB THR 22 6.590 23.008 -17.902 172 HG1 THR 22 1HG THR 22 4.829 21.807 -17.376 173 HG21 THR 22 1HG2 THR 22 7.671 22.289 -15.170 174 HG22 THR 22 2HG2 THR 22 8.496 23.236 -16.404 175 HG23 THR 22 3HG2 THR 22 8.139 21.535 -16.691 176 H SER 23 HN SER 23 3.987 23.827 -17.959 177 HA SER 23 HA SER 23 4.227 26.586 -18.902 178 HB2 SER 23 3HB SER 23 5.465 24.932 -20.406 179 HB3 SER 23 2HB SER 23 3.888 24.253 -20.792 180 HG SER 23 HG SER 23 3.352 26.559 -21.326 181 H LEU 24 HN LEU 24 2.400 25.464 -17.088 182 HA LEU 24 HA LEU 24 -0.094 25.623 -18.625 183 HB2 LEU 24 3HB LEU 24 0.651 23.253 -17.860 184 HB3 LEU 24 2HB LEU 24 0.204 23.793 -16.257 185 HG LEU 24 HG LEU 24 -1.536 22.432 -17.420 186 HD11 LEU 24 1HD1 LEU 24 -2.156 23.927 -15.602 187 HD12 LEU 24 2HD1 LEU 24 -3.424 23.846 -16.825 188 HD13 LEU 24 3HD1 LEU 24 -2.359 25.249 -16.752 189 HD21 LEU 24 1HD2 LEU 24 -2.826 23.396 -19.209 190 HD22 LEU 24 2HD2 LEU 24 -1.129 23.319 -19.683 191 HD23 LEU 24 3HD2 LEU 24 -1.837 24.855 -19.182 192 H GLU 25 HN GLU 25 -0.374 27.750 -18.000 193 HA GLU 25 HA GLU 25 -0.670 28.262 -15.125 194 HB2 GLU 25 3HB GLU 25 0.749 29.829 -16.433 195 HB3 GLU 25 2HB GLU 25 -0.643 30.225 -17.428 196 HG2 GLU 25 3HG GLU 25 -0.357 31.958 -15.820 197 HG3 GLU 25 2HG GLU 25 -1.800 31.041 -15.391 198 H ASP 26 HN ASP 26 -2.632 27.083 -14.971 199 HA ASP 26 HA ASP 26 -4.958 28.644 -15.752 200 HB2 ASP 26 3HB ASP 26 -4.497 26.964 -17.592 201 HB3 ASP 26 2HB ASP 26 -4.829 25.698 -16.418 202 H ASP 27 HN ASP 27 -6.948 27.730 -14.724 203 HA ASP 27 HA ASP 27 -6.251 27.085 -11.973 204 HB2 ASP 27 3HB ASP 27 -8.869 27.987 -13.179 205 HB3 ASP 27 2HB ASP 27 -8.609 27.683 -11.465 206 H ASP 28 HN ASP 28 -6.876 25.356 -14.595 207 HA ASP 28 HA ASP 28 -8.807 23.503 -14.147 208 HB2 ASP 28 3HB ASP 28 -7.471 23.394 -16.135 209 HB3 ASP 28 2HB ASP 28 -6.019 23.062 -15.196 210 H ASP 29 HN ASP 29 -5.494 23.016 -13.127 211 HA ASP 29 HA ASP 29 -4.542 21.866 -11.406 212 HB2 ASP 29 3HB ASP 29 -5.697 23.740 -10.208 213 HB3 ASP 29 2HB ASP 29 -7.058 22.660 -9.924 214 H GLY 30 HN GLY 30 -5.286 20.057 -12.995 215 HA2 GLY 30 2HA GLY 30 -7.365 18.318 -12.037 216 HA3 GLY 30 1HA GLY 30 -6.286 18.016 -13.387 217 H SER 31 HN SER 31 -4.481 18.852 -10.729 218 HA SER 31 HA SER 31 -3.397 16.216 -10.516 219 HB2 SER 31 3HB SER 31 -2.788 18.658 -8.840 220 HB3 SER 31 2HB SER 31 -1.774 17.228 -9.033 221 HG SER 31 HG SER 31 -1.567 17.763 -11.247 222 H ARG 32 HN ARG 32 -6.201 16.633 -9.593 223 HA ARG 32 HA ARG 32 -5.891 15.766 -6.790 224 HB2 ARG 32 3HB ARG 32 -8.384 17.057 -7.894 225 HB3 ARG 32 2HB ARG 32 -7.940 16.818 -6.212 226 HG2 ARG 32 3HG ARG 32 -6.701 18.762 -8.146 227 HG3 ARG 32 2HG ARG 32 -7.737 19.139 -6.771 228 HD2 ARG 32 3HD ARG 32 -6.080 18.681 -5.228 229 HD3 ARG 32 2HD ARG 32 -5.197 17.631 -6.337 230 HE ARG 32 HE ARG 32 -5.338 20.425 -7.104 231 HH11 ARG 32 1HH1 ARG 32 -3.489 17.956 -5.416 232 HH12 ARG 32 2HH1 ARG 32 -1.979 18.785 -5.615 233 HH21 ARG 32 1HH2 ARG 32 -3.353 21.478 -7.397 234 HH22 ARG 32 2HH2 ARG 32 -1.897 20.785 -6.740 235 H GLY 33 HN GLY 33 -7.671 14.289 -6.077 236 HA2 GLY 33 2HA GLY 33 -9.207 12.938 -8.084 237 HA3 GLY 33 1HA GLY 33 -7.810 12.003 -7.570 238 H GLY 34 HN GLY 34 -8.518 10.438 -6.295 239 HA2 GLY 34 2HA GLY 34 -10.504 11.148 -4.219 240 HA3 GLY 34 1HA GLY 34 -10.504 9.602 -5.059 241 H ASP 35 HN ASP 35 -7.842 8.951 -5.046 242 HA ASP 35 HA ASP 35 -7.351 8.637 -2.162 243 HB2 ASP 35 3HB ASP 35 -6.038 6.631 -2.727 244 HB3 ASP 35 2HB ASP 35 -7.698 6.500 -3.287 245 H CYS 36 HN CYS 36 -6.558 10.744 -4.249 246 HA CYS 36 HA CYS 36 -3.791 10.821 -4.519 247 HB2 CYS 36 3HB CYS 36 -4.109 13.324 -4.594 248 HB3 CYS 36 2HB CYS 36 -5.126 12.415 -5.707 249 HG CYS 36 HG CYS 36 -6.212 13.576 -2.678 250 H GLU 37 HN GLU 37 -2.246 10.863 -3.081 251 HA GLU 37 HA GLU 37 -1.084 11.003 -1.136 252 HB2 GLU 37 3HB GLU 37 -1.782 13.471 -1.477 253 HB3 GLU 37 2HB GLU 37 -2.972 13.165 -0.221 254 HG2 GLU 37 3HG GLU 37 -1.274 12.684 1.377 255 HG3 GLU 37 2HG GLU 37 -0.024 12.699 0.133 256 H GLY 38 HN GLY 38 -2.666 8.992 -1.249 257 HA2 GLY 38 2HA GLY 38 -3.760 8.557 1.385 258 HA3 GLY 38 1HA GLY 38 -4.955 8.662 0.086 259 H CYS 39 HN CYS 39 -2.049 7.704 -1.073 260 HA CYS 39 HA CYS 39 -1.915 4.988 -0.660 261 HB2 CYS 39 3HB CYS 39 -4.145 5.262 -2.022 262 HB3 CYS 39 2HB CYS 39 -3.082 5.653 -3.369 263 H SER 40 HN SER 40 -0.664 4.238 -2.816 264 HA SER 40 HA SER 40 1.227 4.335 -3.993 265 HB2 SER 40 3HB SER 40 1.408 6.075 -5.599 266 HB3 SER 40 2HB SER 40 -0.303 5.806 -5.275 267 HG SER 40 HG SER 40 -0.434 7.688 -4.185 268 H GLY 41 HN GLY 41 1.521 7.745 -3.127 269 HA2 GLY 41 2HA GLY 41 4.169 7.193 -2.007 270 HA3 GLY 41 1HA GLY 41 3.452 8.792 -2.130 271 H THR 42 HN THR 42 1.305 6.619 -0.640 272 HA THR 42 HA THR 42 1.786 7.799 1.949 273 HB THR 42 HB THR 42 -0.168 5.656 1.088 274 HG1 THR 42 1HG THR 42 -0.569 8.423 1.660 275 HG21 THR 42 1HG2 THR 42 -1.333 6.134 3.197 276 HG22 THR 42 2HG2 THR 42 -0.039 7.237 3.662 277 HG23 THR 42 3HG2 THR 42 0.291 5.513 3.492 278 H ALA 43 HN ALA 43 2.663 6.834 3.721 279 HA ALA 43 HA ALA 43 4.394 4.562 3.055 280 HB1 ALA 43 1HB ALA 43 5.488 6.550 3.912 281 HB2 ALA 43 2HB ALA 43 5.636 5.239 5.084 282 HB3 ALA 43 3HB ALA 43 4.469 6.533 5.349 283 H CYS 44 HN CYS 44 4.168 2.706 3.780 284 HA CYS 44 HA CYS 44 2.515 2.136 6.150 285 HB2 CYS 44 3HB CYS 44 2.224 -0.116 5.055 286 HB3 CYS 44 2HB CYS 44 1.428 1.222 4.231 287 H SER 45 HN SER 45 3.659 1.323 7.784 288 HA SER 45 HA SER 45 6.168 -0.049 7.212 289 HB2 SER 45 3HB SER 45 4.872 0.045 9.946 290 HB3 SER 45 2HB SER 45 6.581 -0.050 9.529 291 HG SER 45 HG SER 45 5.823 2.165 8.441 292 H SER 46 HN SER 46 2.828 -0.660 7.898 293 HA SER 46 HA SER 46 3.371 -3.536 7.789 294 HB2 SER 46 3HB SER 46 1.069 -3.736 8.904 295 HB3 SER 46 2HB SER 46 2.407 -3.171 9.903 296 HG SER 46 HG SER 46 1.159 -1.544 10.301 297 H ASP 47 HN ASP 47 2.172 -4.797 6.432 298 HA ASP 47 HA ASP 47 1.176 -3.756 4.060 299 HB2 ASP 47 3HB ASP 47 1.027 -6.434 5.363 300 HB3 ASP 47 2HB ASP 47 0.066 -6.121 3.922 301 H ALA 48 HN ALA 48 -0.597 -4.594 7.037 302 HA ALA 48 HA ALA 48 -3.100 -4.719 5.924 303 HB1 ALA 48 1HB ALA 48 -2.601 -5.533 8.157 304 HB2 ALA 48 2HB ALA 48 -3.957 -4.406 8.184 305 HB3 ALA 48 3HB ALA 48 -2.360 -3.876 8.711 306 H GLN 49 HN GLN 49 -1.116 -2.000 6.438 307 HA GLN 49 HA GLN 49 -3.192 -0.060 6.745 308 HB2 GLN 49 3HB GLN 49 -0.290 0.305 5.978 309 HB3 GLN 49 2HB GLN 49 -1.394 1.586 6.469 310 HG2 GLN 49 3HG GLN 49 -1.666 0.493 8.631 311 HG3 GLN 49 2HG GLN 49 -0.506 -0.737 8.143 312 HE21 GLN 49 1HE2 GLN 49 -0.257 1.151 10.434 313 HE22 GLN 49 2HE2 GLN 49 1.169 2.067 10.123 314 H CYS 50 HN CYS 50 -1.463 -1.542 4.113 315 HA CYS 50 HA CYS 50 -2.755 0.221 2.171 316 HB2 CYS 50 3HB CYS 50 -1.127 -2.251 1.618 317 HB3 CYS 50 2HB CYS 50 -1.585 -1.011 0.468 318 H ARG 51 HN ARG 51 -2.888 -3.119 3.274 319 HA ARG 51 HA ARG 51 -4.836 -4.095 1.571 320 HB2 ARG 51 3HB ARG 51 -4.351 -4.763 4.480 321 HB3 ARG 51 2HB ARG 51 -5.406 -5.679 3.426 322 HG2 ARG 51 3HG ARG 51 -2.430 -5.349 3.166 323 HG3 ARG 51 2HG ARG 51 -3.318 -6.812 3.594 324 HD2 ARG 51 3HD ARG 51 -3.589 -5.352 0.979 325 HD3 ARG 51 2HD ARG 51 -2.545 -6.748 1.238 326 HE ARG 51 HE ARG 51 -5.161 -7.394 2.041 327 HH11 ARG 51 1HH1 ARG 51 -3.337 -6.716 -0.865 328 HH12 ARG 51 2HH1 ARG 51 -4.317 -7.739 -1.870 329 HH21 ARG 51 1HH2 ARG 51 -6.460 -8.732 0.726 330 HH22 ARG 51 2HH2 ARG 51 -6.101 -8.879 -0.966 331 H ALA 52 HN ALA 52 -5.237 -2.534 4.730 332 HA ALA 52 HA ALA 52 -8.096 -2.479 4.522 333 HB1 ALA 52 1HB ALA 52 -6.261 -0.985 6.393 334 HB2 ALA 52 2HB ALA 52 -6.992 -2.561 6.697 335 HB3 ALA 52 3HB ALA 52 -8.011 -1.128 6.557 336 H ARG 53 HN ARG 53 -5.554 -0.610 3.260 337 HA ARG 53 HA ARG 53 -7.088 1.811 3.035 338 HB2 ARG 53 3HB ARG 53 -4.549 1.705 3.163 339 HB3 ARG 53 2HB ARG 53 -4.608 1.200 1.479 340 HG2 ARG 53 3HG ARG 53 -4.183 3.554 1.570 341 HG3 ARG 53 2HG ARG 53 -5.809 3.296 0.936 342 HD2 ARG 53 3HD ARG 53 -6.705 3.728 3.213 343 HD3 ARG 53 2HD ARG 53 -5.070 4.109 3.747 344 HE ARG 53 HE ARG 53 -5.792 5.665 1.480 345 HH11 ARG 53 1HH1 ARG 53 -6.292 5.421 4.940 346 HH12 ARG 53 2HH1 ARG 53 -6.641 7.110 5.133 347 HH21 ARG 53 1HH2 ARG 53 -6.278 7.876 1.733 348 HH22 ARG 53 2HH2 ARG 53 -6.630 8.506 3.312 349 H GLY 54 HN GLY 54 -7.098 -1.098 1.476 350 HA2 GLY 54 2HA GLY 54 -8.190 -1.795 -0.434 351 HA3 GLY 54 1HA GLY 54 -8.691 -0.129 -0.708 352 H CYS 55 HN CYS 55 -5.540 0.123 -0.156 353 HA CYS 55 HA CYS 55 -4.831 0.666 -2.806 354 HB2 CYS 55 3HB CYS 55 -3.131 0.254 -0.350 355 HB3 CYS 55 2HB CYS 55 -2.415 0.570 -1.928 356 H ASP 56 HN ASP 56 -3.186 -2.014 -0.999 357 HA ASP 56 HA ASP 56 -3.951 -4.165 -2.470 358 HB2 ASP 56 3HB ASP 56 -3.285 -3.170 -4.556 359 HB3 ASP 56 2HB ASP 56 -1.737 -2.668 -3.899 360 H GLY 57 HN GLY 57 -0.730 -2.648 -1.835 361 HA2 GLY 57 2HA GLY 57 -0.276 -4.485 0.326 362 HA3 GLY 57 1HA GLY 57 0.617 -4.921 -1.122 363 H CYS 58 HN CYS 58 1.726 -4.178 1.368 364 HA CYS 58 HA CYS 58 2.804 -1.509 0.968 365 HB2 CYS 58 3HB CYS 58 2.235 -2.476 3.239 366 HB3 CYS 58 2HB CYS 58 3.616 -3.554 3.042 367 H SER 59 HN SER 59 4.662 -1.121 -0.148 368 HA SER 59 HA SER 59 6.088 -3.504 -1.052 369 HB2 SER 59 3HB SER 59 6.162 -0.632 -1.965 370 HB3 SER 59 2HB SER 59 7.325 -1.831 -2.532 371 HG SER 59 HG SER 59 5.373 -1.537 -3.844 372 H THR 60 HN THR 60 8.505 -3.534 -1.032 373 HA THR 60 HA THR 60 9.490 -3.523 1.505 374 HB THR 60 HB THR 60 11.792 -3.038 0.197 375 HG1 THR 60 1HG THR 60 11.545 -3.620 -1.967 376 HG21 THR 60 1HG2 THR 60 10.134 -5.555 -0.052 377 HG22 THR 60 2HG2 THR 60 11.151 -5.126 1.322 378 HG23 THR 60 3HG2 THR 60 11.881 -5.440 -0.251 379 H SER 61 HN SER 61 9.468 -0.606 -0.564 380 HA SER 61 HA SER 61 11.214 0.832 1.177 381 HB2 SER 61 3HB SER 61 9.455 1.871 -1.046 382 HB3 SER 61 2HB SER 61 10.816 2.712 -0.307 383 HG SER 61 HG SER 61 12.158 0.997 -1.080 384 H GLY 62 HN GLY 62 8.298 -0.188 1.925 385 HA2 GLY 62 2HA GLY 62 6.761 0.482 3.480 386 HA3 GLY 62 1HA GLY 62 7.815 1.839 3.843 387 H VAL 63 HN VAL 63 6.184 0.984 0.813 388 HA VAL 63 HA VAL 63 4.659 3.494 1.037 389 HB VAL 63 HB VAL 63 4.746 3.723 -1.430 390 HG11 VAL 63 1HG1 VAL 63 7.440 3.649 -0.082 391 HG12 VAL 63 2HG1 VAL 63 6.290 4.988 -0.052 392 HG13 VAL 63 3HG1 VAL 63 7.058 4.518 -1.568 393 HG21 VAL 63 1HG2 VAL 63 6.408 2.463 -2.716 394 HG22 VAL 63 2HG2 VAL 63 5.165 1.408 -2.046 395 HG23 VAL 63 3HG2 VAL 63 6.759 1.482 -1.296 396 H CYS 64 HN CYS 64 2.614 3.491 -0.112 397 HA CYS 64 HA CYS 64 1.362 0.829 0.258 398 HB2 CYS 64 3HB CYS 64 0.554 3.482 1.188 399 HB3 CYS 64 2HB CYS 64 -0.689 2.785 0.175 400 H VAL 65 HN VAL 65 1.024 -0.112 -1.661 401 HA VAL 65 HA VAL 65 0.148 1.509 -3.937 402 HB VAL 65 HB VAL 65 2.059 0.802 -5.334 403 HG11 VAL 65 1HG1 VAL 65 3.857 2.104 -4.150 404 HG12 VAL 65 2HG1 VAL 65 2.696 2.296 -2.834 405 HG13 VAL 65 3HG1 VAL 65 2.331 2.934 -4.436 406 HG21 VAL 65 1HG2 VAL 65 4.019 -0.223 -4.352 407 HG22 VAL 65 2HG2 VAL 65 2.604 -1.249 -4.116 408 HG23 VAL 65 3HG2 VAL 65 3.224 -0.280 -2.779 409 H LEU 66 HN LEU 66 0.019 0.072 -5.968 410 HA LEU 66 HA LEU 66 -0.646 -2.668 -5.487 411 HB2 LEU 66 3HB LEU 66 -1.139 -1.169 -7.569 412 HB3 LEU 66 2HB LEU 66 0.474 -1.616 -8.078 413 HG LEU 66 HG LEU 66 -1.713 -3.618 -7.505 414 HD11 LEU 66 1HD1 LEU 66 -2.373 -2.189 -9.352 415 HD12 LEU 66 2HD1 LEU 66 -1.933 -3.791 -9.940 416 HD13 LEU 66 3HD1 LEU 66 -0.813 -2.444 -10.131 417 HD21 LEU 66 1HD2 LEU 66 0.923 -3.882 -8.950 418 HD22 LEU 66 2HD2 LEU 66 -0.283 -5.152 -8.755 419 HD23 LEU 66 3HD2 LEU 66 0.559 -4.512 -7.344 420 H SER 67 HN SER 67 0.973 -3.533 -4.210 421 HA SER 67 HA SER 67 3.682 -2.805 -4.302 422 HB2 SER 67 3HB SER 67 2.676 -3.897 -2.287 423 HB3 SER 67 2HB SER 67 2.627 -5.433 -3.169 424 HG SER 67 HG SER 67 4.912 -3.905 -2.474 425 H SER 68 HN SER 68 5.581 -4.311 -4.785 426 HA SER 68 HA SER 68 5.059 -6.327 -6.811 427 HB2 SER 68 3HB SER 68 6.878 -3.957 -7.330 428 HB3 SER 68 2HB SER 68 6.622 -5.326 -8.412 429 HG SER 68 HG SER 68 4.252 -4.270 -7.727 430 H LEU 69 HN LEU 69 5.902 -7.901 -5.499 431 HA LEU 69 HA LEU 69 8.437 -7.387 -4.157 432 HB2 LEU 69 3HB LEU 69 6.556 -9.740 -3.964 433 HB3 LEU 69 2HB LEU 69 8.001 -9.518 -2.997 434 HG LEU 69 HG LEU 69 5.548 -7.754 -2.930 435 HD11 LEU 69 1HD1 LEU 69 5.240 -8.682 -0.688 436 HD12 LEU 69 2HD1 LEU 69 6.621 -9.750 -0.940 437 HD13 LEU 69 3HD1 LEU 69 5.170 -9.937 -1.924 438 HD21 LEU 69 1HD2 LEU 69 6.637 -6.695 -1.001 439 HD22 LEU 69 2HD2 LEU 69 7.564 -6.469 -2.484 440 HD23 LEU 69 3HD2 LEU 69 8.082 -7.662 -1.293 441 H HIS 70 HN HIS 70 10.047 -7.571 -5.632 442 HA HIS 70 HA HIS 70 10.214 -9.778 -7.461 443 HB2 HIS 70 3HB HIS 70 12.268 -7.750 -6.557 444 HB3 HIS 70 2HB HIS 70 12.601 -9.001 -7.745 445 HD1 HIS 70 1HD HIS 70 12.043 -8.482 -10.115 446 HD2 HIS 70 2HD HIS 70 10.236 -5.849 -7.456 447 HE1 HIS 70 1HE HIS 70 11.003 -6.693 -11.538 448 HE2 HIS 70 2HE HIS 70 9.824 -5.170 -9.912 449 H HIS 71 HN HIS 71 10.948 -9.204 -4.187 450 HA HIS 71 HA HIS 71 12.477 -11.713 -4.009 451 HB2 HIS 71 3HB HIS 71 12.372 -9.440 -2.007 452 HB3 HIS 71 2HB HIS 71 13.405 -10.863 -1.921 453 HD1 HIS 71 1HD HIS 71 13.640 -7.445 -2.712 454 HD2 HIS 71 2HD HIS 71 15.097 -10.908 -4.500 455 HE1 HIS 71 1HE HIS 71 15.547 -6.704 -4.173 456 HE2 HIS 71 2HE HIS 71 16.423 -8.814 -5.237 457 H HIS 72 HN HIS 72 11.130 -13.305 -3.533 458 HA HIS 72 HA HIS 72 8.564 -12.968 -2.415 459 HB2 HIS 72 3HB HIS 72 9.167 -14.843 -3.894 460 HB3 HIS 72 2HB HIS 72 10.245 -15.474 -2.656 461 HD1 HIS 72 1HD HIS 72 9.209 -16.858 -0.787 462 HD2 HIS 72 2HD HIS 72 6.391 -15.140 -3.316 463 HE1 HIS 72 1HE HIS 72 7.025 -17.943 -0.199 464 HE2 HIS 72 2HE HIS 72 5.376 -17.028 -1.864 465 H HIS 73 HN HIS 73 11.646 -14.000 -1.033 466 HA HIS 73 HA HIS 73 12.393 -14.252 1.083 467 HB2 HIS 73 3HB HIS 73 9.978 -12.566 1.719 468 HB3 HIS 73 2HB HIS 73 11.106 -13.117 2.951 469 HD1 HIS 73 1HD HIS 73 13.616 -12.225 2.690 470 HD2 HIS 73 2HD HIS 73 10.743 -10.315 0.371 471 HE1 HIS 73 1HE HIS 73 14.673 -10.070 1.945 472 HE2 HIS 73 2HE HIS 73 12.859 -8.860 0.689 473 H HIS 74 HN HIS 74 12.444 -16.187 1.867 474 HA HIS 74 HA HIS 74 11.918 -18.046 3.050 475 HB2 HIS 74 3HB HIS 74 10.604 -16.430 4.483 476 HB3 HIS 74 2HB HIS 74 9.184 -16.853 3.537 477 HD1 HIS 74 1HD HIS 74 11.370 -18.058 6.264 478 HD2 HIS 74 2HD HIS 74 8.219 -19.494 3.974 479 HE1 HIS 74 1HE HIS 74 10.539 -20.104 7.466 480 HE2 HIS 74 2HE HIS 74 8.499 -20.817 6.174 481 H HIS 75 HN HIS 75 11.364 -20.021 2.353 482 HA HIS 75 HA HIS 75 9.623 -20.193 0.014 483 HB2 HIS 75 3HB HIS 75 11.526 -22.174 1.275 484 HB3 HIS 75 2HB HIS 75 10.465 -22.581 -0.066 485 HD1 HIS 75 1HD HIS 75 11.591 -22.452 -2.247 486 HD2 HIS 75 2HD HIS 75 13.233 -19.782 0.479 487 HE1 HIS 75 1HE HIS 75 13.490 -21.339 -3.455 488 HE2 HIS 75 2HE HIS 75 14.376 -19.628 -1.835 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -14.435 -3.246 -4.112 2 H2 MET 1 2HT MET 1 -14.669 -2.861 -5.740 3 H3 MET 1 3HT MET 1 -13.110 -3.159 -5.161 4 HA MET 1 HA MET 1 -15.311 -5.128 -5.296 5 HB2 MET 1 3HB MET 1 -14.048 -6.197 -7.071 6 HB3 MET 1 2HB MET 1 -14.384 -4.531 -7.509 7 HG2 MET 1 3HG MET 1 -11.768 -5.555 -6.427 8 HG3 MET 1 2HG MET 1 -12.119 -5.238 -8.123 9 HE1 MET 1 1HE MET 1 -9.632 -4.025 -6.463 10 HE2 MET 1 2HE MET 1 -9.617 -2.378 -7.094 11 HE3 MET 1 3HE MET 1 -9.902 -3.736 -8.181 12 H CYS 2 HN CYS 2 -15.087 -6.829 -4.024 13 HA CYS 2 HA CYS 2 -14.294 -8.253 -2.459 14 HB2 CYS 2 3HB CYS 2 -11.795 -8.047 -4.144 15 HB3 CYS 2 2HB CYS 2 -12.106 -9.297 -2.944 16 HG CYS 2 HG CYS 2 -14.639 -9.208 -5.019 17 H GLU 3 HN GLU 3 -10.974 -7.323 -2.620 18 HA GLU 3 HA GLU 3 -11.202 -6.285 0.101 19 HB2 GLU 3 3HB GLU 3 -9.563 -8.123 -0.524 20 HB3 GLU 3 2HB GLU 3 -8.668 -6.906 -1.421 21 HG2 GLU 3 3HG GLU 3 -8.305 -5.636 0.616 22 HG3 GLU 3 2HG GLU 3 -9.251 -6.808 1.531 23 H PHE 4 HN PHE 4 -12.292 -4.506 -1.348 24 HA PHE 4 HA PHE 4 -10.551 -2.211 -1.227 25 HB2 PHE 4 3HB PHE 4 -10.138 -3.149 -3.539 26 HB3 PHE 4 2HB PHE 4 -11.852 -2.965 -3.874 27 HD1 PHE 4 1HD PHE 4 -12.615 -1.015 -4.842 28 HD2 PHE 4 2HD PHE 4 -8.863 -0.999 -2.848 29 HE1 PHE 4 1HE PHE 4 -12.207 1.273 -5.647 30 HE2 PHE 4 2HE PHE 4 -8.445 1.290 -3.645 31 HZ PHE 4 HZ PHE 4 -10.116 2.430 -5.047 32 H ILE 5 HN ILE 5 -12.133 -1.937 0.438 33 HA ILE 5 HA ILE 5 -14.938 -2.002 -0.227 34 HB ILE 5 HB ILE 5 -13.668 -1.159 2.395 35 HG12 ILE 5 3HG1 ILE 5 -14.562 -3.543 3.035 36 HG13 ILE 5 2HG1 ILE 5 -14.419 -3.853 1.309 37 HG21 ILE 5 1HG2 ILE 5 -16.478 -2.042 1.731 38 HG22 ILE 5 2HG2 ILE 5 -15.970 -0.409 2.164 39 HG23 ILE 5 3HG2 ILE 5 -15.867 -1.709 3.352 40 HD11 ILE 5 1HD1 ILE 5 -12.052 -3.384 1.388 41 HD12 ILE 5 2HD1 ILE 5 -12.465 -4.608 2.587 42 HD13 ILE 5 3HD1 ILE 5 -12.170 -2.944 3.092 43 H GLU 6 HN GLU 6 -14.135 -0.344 -1.876 44 HA GLU 6 HA GLU 6 -14.713 2.351 -0.792 45 HB2 GLU 6 3HB GLU 6 -13.115 1.610 -3.257 46 HB3 GLU 6 2HB GLU 6 -13.567 3.248 -2.817 47 HG2 GLU 6 3HG GLU 6 -11.899 1.451 -1.081 48 HG3 GLU 6 2HG GLU 6 -11.239 2.619 -2.226 49 H ASP 7 HN ASP 7 -16.516 0.172 -1.670 50 HA ASP 7 HA ASP 7 -17.636 1.065 -4.196 51 HB2 ASP 7 3HB ASP 7 -17.480 -1.355 -3.552 52 HB3 ASP 7 2HB ASP 7 -18.658 -1.048 -2.284 53 H SER 8 HN SER 8 -17.872 1.992 -1.028 54 HA SER 8 HA SER 8 -20.633 2.426 -0.679 55 HB2 SER 8 3HB SER 8 -18.330 3.924 0.583 56 HB3 SER 8 2HB SER 8 -19.980 3.822 1.200 57 HG SER 8 HG SER 8 -19.318 2.112 2.209 58 H GLU 9 HN GLU 9 -18.595 3.852 -2.870 59 HA GLU 9 HA GLU 9 -19.347 6.540 -2.848 60 HB2 GLU 9 3HB GLU 9 -18.845 6.380 -5.378 61 HB3 GLU 9 2HB GLU 9 -17.545 6.080 -4.237 62 HG2 GLU 9 3HG GLU 9 -17.241 4.391 -5.760 63 HG3 GLU 9 2HG GLU 9 -18.203 3.587 -4.526 64 H ASP 10 HN ASP 10 -20.923 3.718 -4.180 65 HA ASP 10 HA ASP 10 -23.098 3.266 -4.577 66 HB2 ASP 10 3HB ASP 10 -23.408 4.635 -2.475 67 HB3 ASP 10 2HB ASP 10 -23.778 6.005 -3.516 68 H ILE 11 HN ILE 11 -21.365 5.245 -6.327 69 HA ILE 11 HA ILE 11 -23.231 6.788 -7.797 70 HB ILE 11 HB ILE 11 -20.483 5.814 -8.600 71 HG12 ILE 11 3HG1 ILE 11 -21.386 8.464 -7.445 72 HG13 ILE 11 2HG1 ILE 11 -20.550 7.202 -6.547 73 HG21 ILE 11 1HG2 ILE 11 -21.796 6.457 -10.552 74 HG22 ILE 11 2HG2 ILE 11 -20.516 7.630 -10.244 75 HG23 ILE 11 3HG2 ILE 11 -22.180 8.002 -9.796 76 HD11 ILE 11 1HD1 ILE 11 -19.446 8.729 -8.892 77 HD12 ILE 11 2HD1 ILE 11 -18.604 7.470 -7.989 78 HD13 ILE 11 3HD1 ILE 11 -19.038 8.984 -7.195 79 H GLN 12 HN GLN 12 -22.000 3.518 -8.109 80 HA GLN 12 HA GLN 12 -23.118 2.967 -10.640 81 HB2 GLN 12 3HB GLN 12 -21.340 1.620 -9.818 82 HB3 GLN 12 2HB GLN 12 -22.200 1.270 -8.330 83 HG2 GLN 12 3HG GLN 12 -22.172 -0.638 -9.739 84 HG3 GLN 12 2HG GLN 12 -23.820 -0.052 -9.586 85 HE21 GLN 12 1HE2 GLN 12 -21.390 1.403 -11.660 86 HE22 GLN 12 2HE2 GLN 12 -22.144 0.974 -13.156 87 H GLY 13 HN GLY 13 -24.421 3.128 -7.442 88 HA2 GLY 13 2HA GLY 13 -26.782 1.562 -8.168 89 HA3 GLY 13 1HA GLY 13 -26.377 2.146 -6.562 90 H LEU 14 HN LEU 14 -25.964 4.529 -8.905 91 HA LEU 14 HA LEU 14 -27.070 6.420 -9.482 92 HB2 LEU 14 3HB LEU 14 -29.460 4.641 -9.041 93 HB3 LEU 14 2HB LEU 14 -29.619 6.310 -9.542 94 HG LEU 14 HG LEU 14 -29.829 4.998 -11.494 95 HD11 LEU 14 1HD1 LEU 14 -28.440 6.996 -11.740 96 HD12 LEU 14 2HD1 LEU 14 -27.986 5.725 -12.872 97 HD13 LEU 14 3HD1 LEU 14 -27.000 6.022 -11.443 98 HD21 LEU 14 1HD2 LEU 14 -28.193 3.338 -12.206 99 HD22 LEU 14 2HD2 LEU 14 -28.902 2.915 -10.650 100 HD23 LEU 14 3HD2 LEU 14 -27.278 3.594 -10.722 101 H LYS 15 HN LYS 15 -26.481 7.832 -7.928 102 HA LYS 15 HA LYS 15 -27.731 7.759 -5.322 103 HB2 LYS 15 3HB LYS 15 -25.843 9.834 -6.435 104 HB3 LYS 15 2HB LYS 15 -26.255 9.576 -4.742 105 HG2 LYS 15 3HG LYS 15 -25.287 7.295 -4.928 106 HG3 LYS 15 2HG LYS 15 -24.743 7.720 -6.547 107 HD2 LYS 15 3HD LYS 15 -22.882 8.084 -5.149 108 HD3 LYS 15 2HD LYS 15 -23.551 9.690 -5.450 109 HE2 LYS 15 3HE LYS 15 -24.577 9.758 -3.307 110 HE3 LYS 15 2HE LYS 15 -24.250 8.049 -3.025 111 HZ1 LYS 15 1HZ LYS 15 -22.682 9.309 -1.792 112 HZ2 LYS 15 2HZ LYS 15 -22.274 10.256 -3.139 113 HZ3 LYS 15 3HZ LYS 15 -21.848 8.618 -3.097 114 H SER 16 HN SER 16 -28.905 8.660 -8.136 115 HA SER 16 HA SER 16 -30.214 11.101 -7.467 116 HB2 SER 16 3HB SER 16 -31.803 10.319 -9.331 117 HB3 SER 16 2HB SER 16 -30.116 10.578 -9.779 118 HG SER 16 HG SER 16 -31.588 8.231 -9.649 119 H LEU 17 HN LEU 17 -30.365 8.013 -6.290 120 HA LEU 17 HA LEU 17 -33.159 8.114 -5.432 121 HB2 LEU 17 3HB LEU 17 -30.970 6.143 -4.788 122 HB3 LEU 17 2HB LEU 17 -32.660 5.957 -4.368 123 HG LEU 17 HG LEU 17 -31.531 5.983 -7.170 124 HD11 LEU 17 1HD1 LEU 17 -32.187 3.626 -7.189 125 HD12 LEU 17 2HD1 LEU 17 -32.668 3.747 -5.498 126 HD13 LEU 17 3HD1 LEU 17 -30.976 3.953 -5.952 127 HD21 LEU 17 1HD2 LEU 17 -33.771 6.943 -7.078 128 HD22 LEU 17 2HD2 LEU 17 -34.348 5.530 -6.196 129 HD23 LEU 17 3HD2 LEU 17 -33.788 5.363 -7.858 130 H ARG 18 HN ARG 18 -31.103 10.053 -4.674 131 HA ARG 18 HA ARG 18 -29.941 9.931 -2.249 132 HB2 ARG 18 3HB ARG 18 -29.741 11.854 -3.679 133 HB3 ARG 18 2HB ARG 18 -31.443 12.236 -3.482 134 HG2 ARG 18 3HG ARG 18 -31.107 12.842 -1.190 135 HG3 ARG 18 2HG ARG 18 -29.432 12.286 -1.249 136 HD2 ARG 18 3HD ARG 18 -30.543 14.497 -2.963 137 HD3 ARG 18 2HD ARG 18 -29.699 14.758 -1.437 138 HE ARG 18 HE ARG 18 -27.852 13.400 -2.661 139 HH11 ARG 18 1HH1 ARG 18 -29.971 15.784 -4.096 140 HH12 ARG 18 2HH1 ARG 18 -28.823 16.268 -5.300 141 HH21 ARG 18 1HH2 ARG 18 -26.336 14.024 -4.242 142 HH22 ARG 18 2HH2 ARG 18 -26.751 15.261 -5.385 143 H LYS 19 HN LYS 19 -30.546 9.488 -0.281 144 HA LYS 19 HA LYS 19 -33.375 9.723 0.462 145 HB2 LYS 19 3HB LYS 19 -31.103 8.094 1.614 146 HB3 LYS 19 2HB LYS 19 -32.673 8.216 2.385 147 HG2 LYS 19 3HG LYS 19 -32.123 7.065 -0.345 148 HG3 LYS 19 2HG LYS 19 -32.496 6.164 1.123 149 HD2 LYS 19 3HD LYS 19 -34.694 7.223 1.222 150 HD3 LYS 19 2HD LYS 19 -34.322 8.144 -0.234 151 HE2 LYS 19 3HE LYS 19 -35.703 6.216 -0.766 152 HE3 LYS 19 2HE LYS 19 -34.106 6.063 -1.499 153 HZ1 LYS 19 1HZ LYS 19 -33.476 4.608 0.354 154 HZ2 LYS 19 2HZ LYS 19 -34.769 3.984 -0.531 155 HZ3 LYS 19 3HZ LYS 19 -35.047 4.706 0.971 156 H SER 20 HN SER 20 -33.998 10.882 2.294 157 HA SER 20 HA SER 20 -32.161 13.089 2.807 158 HB2 SER 20 3HB SER 20 -34.583 13.484 2.205 159 HB3 SER 20 2HB SER 20 -35.025 12.830 3.786 160 HG SER 20 HG SER 20 -33.258 14.565 4.392 161 H HIS 21 HN HIS 21 -33.060 10.176 4.417 162 HA HIS 21 HA HIS 21 -32.755 11.207 7.071 163 HB2 HIS 21 3HB HIS 21 -33.058 8.990 7.858 164 HB3 HIS 21 2HB HIS 21 -34.118 9.163 6.471 165 HD1 HIS 21 1HD HIS 21 -32.752 6.502 7.768 166 HD2 HIS 21 2HD HIS 21 -31.810 8.361 4.176 167 HE1 HIS 21 1HE HIS 21 -31.688 4.725 6.351 168 HE2 HIS 21 2HE HIS 21 -30.939 5.931 4.272 169 H THR 22 HN THR 22 -30.555 11.158 4.818 170 HA THR 22 HA THR 22 -28.387 9.581 5.822 171 HB THR 22 HB THR 22 -27.101 11.443 4.385 172 HG1 THR 22 1HG THR 22 -29.340 11.525 2.823 173 HG21 THR 22 1HG2 THR 22 -27.481 10.045 2.410 174 HG22 THR 22 2HG2 THR 22 -28.845 9.265 3.210 175 HG23 THR 22 3HG2 THR 22 -27.214 9.058 3.845 176 H SER 23 HN SER 23 -29.599 11.896 7.719 177 HA SER 23 HA SER 23 -27.127 13.357 8.166 178 HB2 SER 23 3HB SER 23 -29.821 13.673 9.509 179 HB3 SER 23 2HB SER 23 -28.447 14.772 9.650 180 HG SER 23 HG SER 23 -28.637 14.946 7.267 181 H LEU 24 HN LEU 24 -29.011 10.790 9.482 182 HA LEU 24 HA LEU 24 -27.213 10.656 11.802 183 HB2 LEU 24 3HB LEU 24 -29.943 9.476 11.330 184 HB3 LEU 24 2HB LEU 24 -28.899 8.906 12.615 185 HG LEU 24 HG LEU 24 -28.872 11.315 13.458 186 HD11 LEU 24 1HD1 LEU 24 -31.238 11.519 11.603 187 HD12 LEU 24 2HD1 LEU 24 -29.712 12.388 11.437 188 HD13 LEU 24 3HD1 LEU 24 -30.764 12.709 12.814 189 HD21 LEU 24 1HD2 LEU 24 -31.481 9.808 13.467 190 HD22 LEU 24 2HD2 LEU 24 -30.976 11.026 14.638 191 HD23 LEU 24 3HD2 LEU 24 -30.107 9.495 14.527 192 H GLU 25 HN GLU 25 -28.741 8.613 9.333 193 HA GLU 25 HA GLU 25 -26.476 6.758 9.615 194 HB2 GLU 25 3HB GLU 25 -29.355 6.189 8.900 195 HB3 GLU 25 2HB GLU 25 -28.060 5.014 8.723 196 HG2 GLU 25 3HG GLU 25 -28.947 6.297 11.297 197 HG3 GLU 25 2HG GLU 25 -29.307 4.653 10.773 198 H ASP 26 HN ASP 26 -25.235 7.827 8.046 199 HA ASP 26 HA ASP 26 -26.306 7.970 5.347 200 HB2 ASP 26 3HB ASP 26 -24.118 8.932 4.742 201 HB3 ASP 26 2HB ASP 26 -24.894 9.806 6.051 202 H ASP 27 HN ASP 27 -25.688 6.753 3.683 203 HA ASP 27 HA ASP 27 -24.396 4.224 4.348 204 HB2 ASP 27 3HB ASP 27 -25.967 5.106 1.923 205 HB3 ASP 27 2HB ASP 27 -25.158 3.548 2.036 206 H ASP 28 HN ASP 28 -23.348 7.109 3.490 207 HA ASP 28 HA ASP 28 -21.667 6.410 1.254 208 HB2 ASP 28 3HB ASP 28 -21.884 8.955 2.856 209 HB3 ASP 28 2HB ASP 28 -20.814 8.752 1.475 210 H ASP 29 HN ASP 29 -21.146 7.520 4.542 211 HA ASP 29 HA ASP 29 -19.377 7.428 5.958 212 HB2 ASP 29 3HB ASP 29 -19.523 5.007 5.738 213 HB3 ASP 29 2HB ASP 29 -18.547 5.058 4.273 214 H GLY 30 HN GLY 30 -18.267 9.352 5.563 215 HA2 GLY 30 2HA GLY 30 -16.885 9.947 3.193 216 HA3 GLY 30 1HA GLY 30 -16.705 10.791 4.720 217 H SER 31 HN SER 31 -15.981 7.789 5.594 218 HA SER 31 HA SER 31 -13.161 8.228 5.583 219 HB2 SER 31 3HB SER 31 -14.560 5.627 6.212 220 HB3 SER 31 2HB SER 31 -13.017 6.208 6.838 221 HG SER 31 HG SER 31 -15.627 6.888 7.569 222 H ARG 32 HN ARG 32 -15.225 7.180 3.207 223 HA ARG 32 HA ARG 32 -13.110 6.039 1.625 224 HB2 ARG 32 3HB ARG 32 -14.112 3.864 1.289 225 HB3 ARG 32 2HB ARG 32 -13.820 4.109 3.004 226 HG2 ARG 32 3HG ARG 32 -16.256 4.796 3.178 227 HG3 ARG 32 2HG ARG 32 -16.442 4.170 1.540 228 HD2 ARG 32 3HD ARG 32 -17.062 2.450 3.080 229 HD3 ARG 32 2HD ARG 32 -15.525 2.002 2.340 230 HE ARG 32 HE ARG 32 -15.748 3.196 5.035 231 HH11 ARG 32 1HH1 ARG 32 -14.263 0.952 2.785 232 HH12 ARG 32 2HH1 ARG 32 -13.241 0.230 3.989 233 HH21 ARG 32 1HH2 ARG 32 -14.373 2.267 6.606 234 HH22 ARG 32 2HH2 ARG 32 -13.297 0.985 6.154 235 H GLY 33 HN GLY 33 -13.984 5.332 -0.558 236 HA2 GLY 33 2HA GLY 33 -16.068 5.367 -1.945 237 HA3 GLY 33 1HA GLY 33 -16.369 6.950 -1.242 238 H GLY 34 HN GLY 34 -13.398 5.497 -2.556 239 HA2 GLY 34 2HA GLY 34 -13.534 7.385 -4.784 240 HA3 GLY 34 1HA GLY 34 -12.139 7.485 -3.715 241 H ASP 35 HN ASP 35 -11.584 6.987 -6.331 242 HA ASP 35 HA ASP 35 -11.273 4.082 -6.571 243 HB2 ASP 35 3HB ASP 35 -10.751 4.523 -8.941 244 HB3 ASP 35 2HB ASP 35 -12.312 5.198 -8.491 245 H CYS 36 HN CYS 36 -9.690 4.982 -4.668 246 HA CYS 36 HA CYS 36 -7.196 6.034 -5.516 247 HB2 CYS 36 3HB CYS 36 -6.459 5.297 -3.196 248 HB3 CYS 36 2HB CYS 36 -7.807 6.427 -3.261 249 HG CYS 36 HG CYS 36 -8.246 3.055 -2.915 250 H GLU 37 HN GLU 37 -6.174 4.848 -7.060 251 HA GLU 37 HA GLU 37 -5.370 2.120 -6.296 252 HB2 GLU 37 3HB GLU 37 -5.817 3.213 -9.086 253 HB3 GLU 37 2HB GLU 37 -5.236 1.600 -8.705 254 HG2 GLU 37 3HG GLU 37 -7.357 1.078 -7.631 255 HG3 GLU 37 2HG GLU 37 -7.939 2.706 -7.978 256 H GLY 38 HN GLY 38 -4.083 4.552 -5.558 257 HA2 GLY 38 2HA GLY 38 -1.489 4.146 -6.569 258 HA3 GLY 38 1HA GLY 38 -2.213 5.551 -7.317 259 H CYS 39 HN CYS 39 -2.609 4.386 -4.000 260 HA CYS 39 HA CYS 39 -2.028 7.075 -3.060 261 HB2 CYS 39 3HB CYS 39 -2.714 5.826 -0.816 262 HB3 CYS 39 2HB CYS 39 -3.923 6.376 -1.972 263 H SER 40 HN SER 40 0.206 5.943 -4.044 264 HA SER 40 HA SER 40 1.668 4.558 -1.975 265 HB2 SER 40 3HB SER 40 3.534 4.709 -3.694 266 HB3 SER 40 2HB SER 40 2.086 3.819 -4.144 267 HG SER 40 HG SER 40 1.775 5.151 -5.716 268 H GLY 41 HN GLY 41 0.951 7.672 -2.700 269 HA2 GLY 41 2HA GLY 41 3.332 8.921 -1.596 270 HA3 GLY 41 1HA GLY 41 1.768 9.710 -1.738 271 H THR 42 HN THR 42 1.373 6.776 -0.186 272 HA THR 42 HA THR 42 1.632 8.026 2.463 273 HB THR 42 HB THR 42 -0.232 5.765 1.678 274 HG1 THR 42 1HG THR 42 -0.669 8.573 1.892 275 HG21 THR 42 1HG2 THR 42 -1.328 6.291 3.823 276 HG22 THR 42 2HG2 THR 42 -0.078 7.490 4.152 277 HG23 THR 42 3HG2 THR 42 0.346 5.782 4.043 278 H ALA 43 HN ALA 43 2.580 6.704 4.086 279 HA ALA 43 HA ALA 43 4.118 4.445 2.964 280 HB1 ALA 43 1HB ALA 43 5.861 4.980 4.570 281 HB2 ALA 43 2HB ALA 43 4.883 6.290 5.231 282 HB3 ALA 43 3HB ALA 43 5.491 6.392 3.579 283 H CYS 44 HN CYS 44 3.149 2.661 3.510 284 HA CYS 44 HA CYS 44 2.564 2.251 6.371 285 HB2 CYS 44 3HB CYS 44 1.493 0.135 5.520 286 HB3 CYS 44 2HB CYS 44 0.710 1.637 5.038 287 H SER 45 HN SER 45 3.978 1.220 7.553 288 HA SER 45 HA SER 45 6.171 -0.200 6.290 289 HB2 SER 45 3HB SER 45 5.668 -0.097 9.278 290 HB3 SER 45 2HB SER 45 7.192 -0.321 8.422 291 HG SER 45 HG SER 45 6.565 1.920 7.535 292 H SER 46 HN SER 46 3.099 -0.787 7.670 293 HA SER 46 HA SER 46 3.595 -3.659 7.444 294 HB2 SER 46 3HB SER 46 1.309 -2.281 8.861 295 HB3 SER 46 2HB SER 46 1.688 -4.003 8.897 296 HG SER 46 HG SER 46 3.864 -2.706 9.643 297 H ASP 47 HN ASP 47 2.424 -4.793 6.058 298 HA ASP 47 HA ASP 47 1.413 -3.591 3.779 299 HB2 ASP 47 3HB ASP 47 2.447 -5.792 3.792 300 HB3 ASP 47 2HB ASP 47 1.127 -6.432 4.762 301 H ALA 48 HN ALA 48 -0.368 -5.167 6.455 302 HA ALA 48 HA ALA 48 -2.764 -5.381 5.175 303 HB1 ALA 48 1HB ALA 48 -2.266 -5.054 8.116 304 HB2 ALA 48 2HB ALA 48 -2.183 -6.568 7.216 305 HB3 ALA 48 3HB ALA 48 -3.722 -5.724 7.381 306 H GLN 49 HN GLN 49 -1.377 -2.547 6.653 307 HA GLN 49 HA GLN 49 -3.917 -1.435 7.351 308 HB2 GLN 49 3HB GLN 49 -2.702 0.506 8.139 309 HB3 GLN 49 2HB GLN 49 -1.967 -0.971 8.733 310 HG2 GLN 49 3HG GLN 49 -0.236 -0.773 6.985 311 HG3 GLN 49 2HG GLN 49 -0.957 0.756 6.488 312 HE21 GLN 49 1HE2 GLN 49 -0.768 -0.300 9.809 313 HE22 GLN 49 2HE2 GLN 49 0.379 0.890 10.322 314 H CYS 50 HN CYS 50 -1.664 -1.016 4.658 315 HA CYS 50 HA CYS 50 -3.499 1.030 3.608 316 HB2 CYS 50 3HB CYS 50 -0.747 0.254 2.711 317 HB3 CYS 50 2HB CYS 50 -1.826 1.164 1.677 318 H ARG 51 HN ARG 51 -2.169 -2.126 2.813 319 HA ARG 51 HA ARG 51 -3.516 -2.790 0.558 320 HB2 ARG 51 3HB ARG 51 -2.138 -4.433 1.433 321 HB3 ARG 51 2HB ARG 51 -2.827 -4.304 3.041 322 HG2 ARG 51 3HG ARG 51 -4.943 -5.162 1.973 323 HG3 ARG 51 2HG ARG 51 -3.913 -5.680 0.636 324 HD2 ARG 51 3HD ARG 51 -2.500 -6.865 2.267 325 HD3 ARG 51 2HD ARG 51 -3.659 -6.412 3.530 326 HE ARG 51 HE ARG 51 -5.119 -7.670 1.534 327 HH11 ARG 51 1HH1 ARG 51 -2.530 -8.529 3.742 328 HH12 ARG 51 2HH1 ARG 51 -2.979 -10.204 3.810 329 HH21 ARG 51 1HH2 ARG 51 -5.709 -9.862 1.642 330 HH22 ARG 51 2HH2 ARG 51 -4.779 -10.964 2.610 331 H ALA 52 HN ALA 52 -4.829 -3.160 3.890 332 HA ALA 52 HA ALA 52 -7.423 -3.869 2.868 333 HB1 ALA 52 1HB ALA 52 -6.605 -3.130 5.677 334 HB2 ALA 52 2HB ALA 52 -6.629 -4.762 5.008 335 HB3 ALA 52 3HB ALA 52 -8.135 -3.864 5.200 336 H ARG 53 HN ARG 53 -5.715 -1.024 3.360 337 HA ARG 53 HA ARG 53 -8.137 0.573 3.533 338 HB2 ARG 53 3HB ARG 53 -5.999 1.188 4.777 339 HB3 ARG 53 2HB ARG 53 -5.375 1.690 3.211 340 HG2 ARG 53 3HG ARG 53 -7.239 3.273 2.992 341 HG3 ARG 53 2HG ARG 53 -7.815 2.795 4.589 342 HD2 ARG 53 3HD ARG 53 -5.734 3.580 5.583 343 HD3 ARG 53 2HD ARG 53 -5.130 4.027 3.987 344 HE ARG 53 HE ARG 53 -7.633 5.269 4.595 345 HH11 ARG 53 1HH1 ARG 53 -4.177 5.502 5.115 346 HH12 ARG 53 2HH1 ARG 53 -4.213 7.213 5.401 347 HH21 ARG 53 1HH2 ARG 53 -7.681 7.508 4.960 348 HH22 ARG 53 2HH2 ARG 53 -6.206 8.357 5.310 349 H GLY 54 HN GLY 54 -7.314 -1.112 1.195 350 HA2 GLY 54 2HA GLY 54 -8.271 -0.888 -0.919 351 HA3 GLY 54 1HA GLY 54 -8.333 0.851 -0.685 352 H CYS 55 HN CYS 55 -5.451 0.942 0.117 353 HA CYS 55 HA CYS 55 -4.363 1.621 -2.310 354 HB2 CYS 55 3HB CYS 55 -3.017 0.778 0.240 355 HB3 CYS 55 2HB CYS 55 -2.082 1.232 -1.182 356 H ASP 56 HN ASP 56 -3.393 -1.507 -0.697 357 HA ASP 56 HA ASP 56 -4.202 -3.415 -2.366 358 HB2 ASP 56 3HB ASP 56 -2.270 -1.808 -3.895 359 HB3 ASP 56 2HB ASP 56 -1.806 -3.497 -3.755 360 H GLY 57 HN GLY 57 -1.028 -2.086 -1.452 361 HA2 GLY 57 2HA GLY 57 -0.660 -3.960 0.625 362 HA3 GLY 57 1HA GLY 57 0.298 -4.370 -0.790 363 H CYS 58 HN CYS 58 1.820 -3.958 1.055 364 HA CYS 58 HA CYS 58 2.893 -1.257 0.606 365 HB2 CYS 58 3HB CYS 58 3.356 -2.971 3.057 366 HB3 CYS 58 2HB CYS 58 3.852 -1.296 2.813 367 H SER 59 HN SER 59 4.973 -1.138 -0.160 368 HA SER 59 HA SER 59 6.074 -3.797 -0.819 369 HB2 SER 59 3HB SER 59 6.241 -1.208 -2.363 370 HB3 SER 59 2HB SER 59 7.114 -2.678 -2.797 371 HG SER 59 HG SER 59 4.293 -2.498 -2.518 372 H THR 60 HN THR 60 8.534 -3.437 -1.567 373 HA THR 60 HA THR 60 10.076 -3.312 0.675 374 HB THR 60 HB THR 60 11.903 -2.446 -1.078 375 HG1 THR 60 1HG THR 60 11.051 -2.227 -2.992 376 HG21 THR 60 1HG2 THR 60 12.204 -4.794 -1.740 377 HG22 THR 60 2HG2 THR 60 10.604 -5.174 -1.107 378 HG23 THR 60 3HG2 THR 60 11.879 -4.642 -0.014 379 H SER 61 HN SER 61 8.994 -0.392 -1.075 380 HA SER 61 HA SER 61 10.939 1.212 0.316 381 HB2 SER 61 3HB SER 61 10.341 1.670 -2.072 382 HB3 SER 61 2HB SER 61 8.736 2.152 -1.527 383 HG SER 61 HG SER 61 9.973 3.675 -0.111 384 H GLY 62 HN GLY 62 8.212 -0.153 1.323 385 HA2 GLY 62 2HA GLY 62 6.910 0.212 3.177 386 HA3 GLY 62 1HA GLY 62 7.979 1.547 3.576 387 H VAL 63 HN VAL 63 6.232 1.332 0.583 388 HA VAL 63 HA VAL 63 4.606 3.649 1.394 389 HB VAL 63 HB VAL 63 4.544 4.297 -0.979 390 HG11 VAL 63 1HG1 VAL 63 6.255 5.199 0.486 391 HG12 VAL 63 2HG1 VAL 63 6.859 5.021 -1.164 392 HG13 VAL 63 3HG1 VAL 63 7.325 3.857 0.076 393 HG21 VAL 63 1HG2 VAL 63 4.823 1.999 -1.907 394 HG22 VAL 63 2HG2 VAL 63 6.529 2.082 -1.468 395 HG23 VAL 63 3HG2 VAL 63 5.867 3.207 -2.649 396 H CYS 64 HN CYS 64 2.481 3.765 0.064 397 HA CYS 64 HA CYS 64 1.287 1.103 0.401 398 HB2 CYS 64 3HB CYS 64 -0.079 3.810 0.200 399 HB3 CYS 64 2HB CYS 64 -0.803 2.302 0.682 400 H VAL 65 HN VAL 65 0.976 -0.037 -1.398 401 HA VAL 65 HA VAL 65 0.488 1.159 -3.986 402 HB VAL 65 HB VAL 65 2.776 1.883 -3.589 403 HG11 VAL 65 1HG1 VAL 65 4.583 0.265 -3.167 404 HG12 VAL 65 2HG1 VAL 65 3.360 -0.995 -2.979 405 HG13 VAL 65 3HG1 VAL 65 3.399 0.373 -1.864 406 HG21 VAL 65 1HG2 VAL 65 2.960 -0.487 -5.427 407 HG22 VAL 65 2HG2 VAL 65 4.021 0.914 -5.386 408 HG23 VAL 65 3HG2 VAL 65 2.343 1.106 -5.889 409 H LEU 66 HN LEU 66 0.487 -0.636 -5.696 410 HA LEU 66 HA LEU 66 -0.319 -3.120 -4.706 411 HB2 LEU 66 3HB LEU 66 -0.251 -3.939 -6.961 412 HB3 LEU 66 2HB LEU 66 -0.885 -2.311 -6.975 413 HG LEU 66 HG LEU 66 1.991 -2.925 -7.642 414 HD11 LEU 66 1HD1 LEU 66 -0.356 -2.702 -9.522 415 HD12 LEU 66 2HD1 LEU 66 0.564 -4.167 -9.178 416 HD13 LEU 66 3HD1 LEU 66 1.339 -2.810 -9.997 417 HD21 LEU 66 1HD2 LEU 66 1.536 -0.609 -7.078 418 HD22 LEU 66 2HD2 LEU 66 0.203 -0.570 -8.231 419 HD23 LEU 66 3HD2 LEU 66 1.859 -0.764 -8.804 420 H SER 67 HN SER 67 0.870 -4.658 -3.752 421 HA SER 67 HA SER 67 3.477 -4.220 -2.976 422 HB2 SER 67 3HB SER 67 2.301 -6.990 -3.187 423 HB3 SER 67 2HB SER 67 3.386 -6.337 -1.960 424 HG SER 67 HG SER 67 1.399 -6.289 -1.041 425 H SER 68 HN SER 68 5.207 -4.023 -4.531 426 HA SER 68 HA SER 68 5.501 -5.919 -6.644 427 HB2 SER 68 3HB SER 68 7.579 -4.066 -5.447 428 HB3 SER 68 2HB SER 68 7.618 -4.811 -7.046 429 HG SER 68 HG SER 68 5.493 -3.633 -7.299 430 H LEU 69 HN LEU 69 5.242 -7.850 -5.376 431 HA LEU 69 HA LEU 69 7.121 -8.512 -3.326 432 HB2 LEU 69 3HB LEU 69 6.046 -10.686 -3.250 433 HB3 LEU 69 2HB LEU 69 4.861 -9.402 -3.235 434 HG LEU 69 HG LEU 69 5.530 -10.893 -5.767 435 HD11 LEU 69 1HD1 LEU 69 4.873 -12.532 -4.080 436 HD12 LEU 69 2HD1 LEU 69 3.624 -12.342 -5.311 437 HD13 LEU 69 3HD1 LEU 69 3.423 -11.592 -3.727 438 HD21 LEU 69 1HD2 LEU 69 4.292 -8.889 -6.162 439 HD22 LEU 69 2HD2 LEU 69 3.180 -9.248 -4.844 440 HD23 LEU 69 3HD2 LEU 69 3.170 -10.240 -6.300 441 H HIS 70 HN HIS 70 8.979 -7.996 -4.713 442 HA HIS 70 HA HIS 70 9.880 -10.436 -6.091 443 HB2 HIS 70 3HB HIS 70 9.332 -8.548 -7.671 444 HB3 HIS 70 2HB HIS 70 10.609 -7.615 -6.904 445 HD1 HIS 70 1HD HIS 70 12.814 -7.770 -8.025 446 HD2 HIS 70 2HD HIS 70 10.426 -11.071 -8.831 447 HE1 HIS 70 1HE HIS 70 14.114 -9.156 -9.668 448 HE2 HIS 70 2HE HIS 70 12.727 -11.233 -9.993 449 H HIS 71 HN HIS 71 10.186 -8.869 -3.384 450 HA HIS 71 HA HIS 71 12.893 -8.187 -3.110 451 HB2 HIS 71 3HB HIS 71 12.547 -8.273 -0.719 452 HB3 HIS 71 2HB HIS 71 11.129 -7.563 -1.473 453 HD1 HIS 71 1HD HIS 71 11.942 -9.779 1.129 454 HD2 HIS 71 2HD HIS 71 9.092 -9.849 -1.900 455 HE1 HIS 71 1HE HIS 71 10.162 -11.380 1.904 456 HE2 HIS 71 2HE HIS 71 8.384 -11.288 0.125 457 H HIS 72 HN HIS 72 14.694 -9.344 -2.898 458 HA HIS 72 HA HIS 72 14.470 -12.217 -3.202 459 HB2 HIS 72 3HB HIS 72 16.017 -10.886 -4.615 460 HB3 HIS 72 2HB HIS 72 16.933 -10.462 -3.176 461 HD1 HIS 72 1HD HIS 72 16.166 -13.383 -5.424 462 HD2 HIS 72 2HD HIS 72 18.725 -12.377 -2.312 463 HE1 HIS 72 1HE HIS 72 17.868 -15.226 -5.330 464 HE2 HIS 72 2HE HIS 72 19.536 -14.462 -3.606 465 H HIS 73 HN HIS 73 13.779 -12.899 -1.197 466 HA HIS 73 HA HIS 73 14.948 -12.262 1.274 467 HB2 HIS 73 3HB HIS 73 12.755 -13.379 1.021 468 HB3 HIS 73 2HB HIS 73 13.565 -14.826 0.435 469 HD1 HIS 73 1HD HIS 73 12.785 -12.928 3.549 470 HD2 HIS 73 2HD HIS 73 14.812 -16.382 2.432 471 HE1 HIS 73 1HE HIS 73 13.188 -14.196 5.681 472 HE2 HIS 73 2HE HIS 73 14.265 -16.356 4.959 473 H HIS 74 HN HIS 74 16.666 -13.049 2.363 474 HA HIS 74 HA HIS 74 18.663 -14.031 2.773 475 HB2 HIS 74 3HB HIS 74 17.415 -16.151 2.699 476 HB3 HIS 74 2HB HIS 74 17.646 -16.230 0.958 477 HD1 HIS 74 1HD HIS 74 19.484 -16.659 4.201 478 HD2 HIS 74 2HD HIS 74 20.140 -17.150 0.128 479 HE1 HIS 74 1HE HIS 74 21.637 -17.935 4.013 480 HE2 HIS 74 2HE HIS 74 21.893 -18.405 1.554 481 H HIS 75 HN HIS 75 19.851 -12.433 1.806 482 HA HIS 75 HA HIS 75 20.384 -12.461 -1.022 483 HB2 HIS 75 3HB HIS 75 21.621 -10.824 1.201 484 HB3 HIS 75 2HB HIS 75 21.907 -10.572 -0.515 485 HD1 HIS 75 1HD HIS 75 19.592 -9.739 2.199 486 HD2 HIS 75 2HD HIS 75 19.564 -9.669 -1.952 487 HE1 HIS 75 1HE HIS 75 17.653 -8.273 1.564 488 HE2 HIS 75 2HE HIS 75 17.526 -8.435 -0.945 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -4.489 -2.836 -24.844 2 H2 MET 1 2HT MET 1 -3.366 -3.266 -23.659 3 H3 MET 1 3HT MET 1 -2.909 -2.244 -24.931 4 HA MET 1 HA MET 1 -3.188 -0.907 -23.031 5 HB2 MET 1 3HB MET 1 -5.421 -0.716 -25.038 6 HB3 MET 1 2HB MET 1 -5.250 0.459 -23.743 7 HG2 MET 1 3HG MET 1 -4.250 1.284 -25.781 8 HG3 MET 1 2HG MET 1 -3.018 1.028 -24.548 9 HE1 MET 1 1HE MET 1 -2.240 1.491 -27.540 10 HE2 MET 1 2HE MET 1 -1.041 0.226 -27.800 11 HE3 MET 1 3HE MET 1 -1.055 1.129 -26.286 12 H CYS 2 HN CYS 2 -5.842 -3.158 -23.488 13 HA CYS 2 HA CYS 2 -6.971 -2.422 -20.898 14 HB2 CYS 2 3HB CYS 2 -8.433 -2.905 -22.900 15 HB3 CYS 2 2HB CYS 2 -7.894 -4.577 -22.813 16 HG CYS 2 HG CYS 2 -8.879 -4.116 -19.854 17 H GLU 3 HN GLU 3 -4.643 -3.149 -20.250 18 HA GLU 3 HA GLU 3 -4.248 -6.018 -20.136 19 HB2 GLU 3 3HB GLU 3 -2.497 -3.968 -18.809 20 HB3 GLU 3 2HB GLU 3 -2.054 -5.546 -19.440 21 HG2 GLU 3 3HG GLU 3 -2.779 -3.119 -21.059 22 HG3 GLU 3 2HG GLU 3 -1.163 -3.777 -20.826 23 H PHE 4 HN PHE 4 -3.565 -7.005 -18.008 24 HA PHE 4 HA PHE 4 -4.828 -5.687 -15.684 25 HB2 PHE 4 3HB PHE 4 -6.455 -7.290 -16.779 26 HB3 PHE 4 2HB PHE 4 -5.345 -8.591 -16.362 27 HD1 PHE 4 1HD PHE 4 -7.578 -6.003 -14.998 28 HD2 PHE 4 2HD PHE 4 -5.230 -9.449 -14.143 29 HE1 PHE 4 1HE PHE 4 -8.630 -6.165 -12.781 30 HE2 PHE 4 2HE PHE 4 -6.276 -9.614 -11.923 31 HZ PHE 4 HZ PHE 4 -7.979 -7.971 -11.241 32 H ILE 5 HN ILE 5 -2.849 -5.328 -14.803 33 HA ILE 5 HA ILE 5 -0.858 -5.724 -13.630 34 HB ILE 5 HB ILE 5 -2.700 -6.317 -12.032 35 HG12 ILE 5 3HG1 ILE 5 -0.073 -7.778 -11.700 36 HG13 ILE 5 2HG1 ILE 5 -0.384 -6.095 -11.289 37 HG21 ILE 5 1HG2 ILE 5 -1.997 -9.154 -12.764 38 HG22 ILE 5 2HG2 ILE 5 -3.535 -8.345 -13.061 39 HG23 ILE 5 3HG2 ILE 5 -3.014 -8.667 -11.407 40 HD11 ILE 5 1HD1 ILE 5 -1.692 -8.477 -10.003 41 HD12 ILE 5 2HD1 ILE 5 -1.949 -6.787 -9.571 42 HD13 ILE 5 3HD1 ILE 5 -0.369 -7.532 -9.322 43 H GLU 6 HN GLU 6 -0.727 -6.811 -16.169 44 HA GLU 6 HA GLU 6 0.351 -9.471 -15.849 45 HB2 GLU 6 3HB GLU 6 -1.251 -8.787 -17.728 46 HB3 GLU 6 2HB GLU 6 0.131 -7.964 -18.439 47 HG2 GLU 6 3HG GLU 6 -0.130 -10.123 -19.451 48 HG3 GLU 6 2HG GLU 6 1.348 -10.102 -18.487 49 H ASP 7 HN ASP 7 1.351 -6.242 -16.212 50 HA ASP 7 HA ASP 7 3.898 -6.728 -17.423 51 HB2 ASP 7 3HB ASP 7 2.842 -4.301 -15.964 52 HB3 ASP 7 2HB ASP 7 4.404 -4.363 -16.772 53 H SER 8 HN SER 8 2.832 -7.566 -14.474 54 HA SER 8 HA SER 8 4.992 -6.871 -12.794 55 HB2 SER 8 3HB SER 8 3.181 -9.295 -12.617 56 HB3 SER 8 2HB SER 8 4.138 -8.604 -11.307 57 HG SER 8 HG SER 8 1.786 -8.031 -11.508 58 H GLU 9 HN GLU 9 4.222 -10.011 -14.314 59 HA GLU 9 HA GLU 9 7.016 -10.784 -14.037 60 HB2 GLU 9 3HB GLU 9 4.614 -12.368 -14.945 61 HB3 GLU 9 2HB GLU 9 6.233 -13.016 -14.735 62 HG2 GLU 9 3HG GLU 9 6.145 -12.436 -12.356 63 HG3 GLU 9 2HG GLU 9 4.504 -11.833 -12.578 64 H ASP 10 HN ASP 10 4.824 -9.692 -16.476 65 HA ASP 10 HA ASP 10 6.210 -10.880 -18.687 66 HB2 ASP 10 3HB ASP 10 3.777 -10.214 -18.717 67 HB3 ASP 10 2HB ASP 10 4.309 -8.536 -18.793 68 H ILE 11 HN ILE 11 8.311 -10.305 -18.765 69 HA ILE 11 HA ILE 11 8.986 -7.455 -18.809 70 HB ILE 11 HB ILE 11 10.958 -9.733 -18.990 71 HG12 ILE 11 3HG1 ILE 11 9.942 -8.412 -16.461 72 HG13 ILE 11 2HG1 ILE 11 9.519 -10.039 -16.985 73 HG21 ILE 11 1HG2 ILE 11 11.805 -7.513 -19.537 74 HG22 ILE 11 2HG2 ILE 11 12.498 -8.082 -18.018 75 HG23 ILE 11 3HG2 ILE 11 11.199 -6.889 -18.003 76 HD11 ILE 11 1HD1 ILE 11 11.230 -10.099 -15.277 77 HD12 ILE 11 2HD1 ILE 11 12.272 -9.067 -16.257 78 HD13 ILE 11 3HD1 ILE 11 11.869 -10.692 -16.809 79 H GLN 12 HN GLN 12 7.842 -9.583 -20.923 80 HA GLN 12 HA GLN 12 9.694 -9.288 -23.105 81 HB2 GLN 12 3HB GLN 12 6.855 -10.315 -23.036 82 HB3 GLN 12 2HB GLN 12 7.869 -10.321 -24.466 83 HG2 GLN 12 3HG GLN 12 8.372 -11.846 -21.917 84 HG3 GLN 12 2HG GLN 12 7.813 -12.509 -23.448 85 HE21 GLN 12 1HE2 GLN 12 10.521 -11.388 -21.632 86 HE22 GLN 12 2HE2 GLN 12 11.743 -11.855 -22.769 87 H GLY 13 HN GLY 13 6.769 -7.708 -22.004 88 HA2 GLY 13 2HA GLY 13 6.611 -6.064 -24.393 89 HA3 GLY 13 1HA GLY 13 5.555 -5.977 -22.992 90 H LEU 14 HN LEU 14 8.977 -5.939 -22.490 91 HA LEU 14 HA LEU 14 8.923 -3.461 -21.155 92 HB2 LEU 14 3HB LEU 14 11.219 -3.689 -20.824 93 HB3 LEU 14 2HB LEU 14 10.638 -5.339 -20.905 94 HG LEU 14 HG LEU 14 11.952 -3.896 -23.211 95 HD11 LEU 14 1HD1 LEU 14 13.924 -5.242 -22.695 96 HD12 LEU 14 2HD1 LEU 14 13.119 -5.871 -21.258 97 HD13 LEU 14 3HD1 LEU 14 13.516 -4.157 -21.366 98 HD21 LEU 14 1HD2 LEU 14 12.201 -6.166 -24.131 99 HD22 LEU 14 2HD2 LEU 14 10.511 -5.700 -23.939 100 HD23 LEU 14 3HD2 LEU 14 11.260 -6.799 -22.781 101 H LYS 15 HN LYS 15 9.220 -4.291 -24.457 102 HA LYS 15 HA LYS 15 10.499 -1.996 -25.455 103 HB2 LYS 15 3HB LYS 15 9.306 -2.612 -27.612 104 HB3 LYS 15 2HB LYS 15 10.341 -3.847 -26.913 105 HG2 LYS 15 3HG LYS 15 8.465 -5.071 -26.096 106 HG3 LYS 15 2HG LYS 15 7.357 -3.759 -26.521 107 HD2 LYS 15 3HD LYS 15 7.900 -4.109 -28.893 108 HD3 LYS 15 2HD LYS 15 8.975 -5.433 -28.443 109 HE2 LYS 15 3HE LYS 15 6.849 -6.324 -29.164 110 HE3 LYS 15 2HE LYS 15 7.060 -6.613 -27.440 111 HZ1 LYS 15 1HZ LYS 15 5.618 -4.746 -26.971 112 HZ2 LYS 15 2HZ LYS 15 4.826 -5.847 -27.976 113 HZ3 LYS 15 3HZ LYS 15 5.451 -4.415 -28.622 114 H SER 16 HN SER 16 7.397 -2.385 -24.084 115 HA SER 16 HA SER 16 6.426 0.076 -25.333 116 HB2 SER 16 3HB SER 16 4.898 -1.888 -25.309 117 HB3 SER 16 2HB SER 16 4.960 -1.886 -23.548 118 HG SER 16 HG SER 16 4.045 0.277 -25.146 119 H LEU 17 HN LEU 17 7.311 -1.395 -22.305 120 HA LEU 17 HA LEU 17 6.499 0.803 -20.661 121 HB2 LEU 17 3HB LEU 17 8.388 -1.456 -19.998 122 HB3 LEU 17 2HB LEU 17 7.567 -0.414 -18.854 123 HG LEU 17 HG LEU 17 6.245 -2.429 -20.671 124 HD11 LEU 17 1HD1 LEU 17 7.483 -3.472 -18.863 125 HD12 LEU 17 2HD1 LEU 17 5.745 -3.616 -18.591 126 HD13 LEU 17 3HD1 LEU 17 6.683 -2.424 -17.691 127 HD21 LEU 17 1HD2 LEU 17 5.078 -0.595 -18.583 128 HD22 LEU 17 2HD2 LEU 17 4.212 -1.908 -19.380 129 HD23 LEU 17 3HD2 LEU 17 4.787 -0.535 -20.322 130 H ARG 18 HN ARG 18 9.127 0.212 -22.654 131 HA ARG 18 HA ARG 18 11.228 1.496 -21.301 132 HB2 ARG 18 3HB ARG 18 11.642 0.085 -23.223 133 HB3 ARG 18 2HB ARG 18 10.695 1.146 -24.254 134 HG2 ARG 18 3HG ARG 18 12.353 2.927 -23.924 135 HG3 ARG 18 2HG ARG 18 13.309 1.834 -22.922 136 HD2 ARG 18 3HD ARG 18 12.567 1.320 -25.798 137 HD3 ARG 18 2HD ARG 18 14.106 1.994 -25.271 138 HE ARG 18 HE ARG 18 14.358 -0.155 -23.984 139 HH11 ARG 18 1HH1 ARG 18 12.394 0.004 -26.880 140 HH12 ARG 18 2HH1 ARG 18 12.681 -1.650 -27.315 141 HH21 ARG 18 1HH2 ARG 18 14.739 -2.328 -24.557 142 HH22 ARG 18 2HH2 ARG 18 14.004 -2.982 -25.988 143 H LYS 19 HN LYS 19 8.441 2.767 -22.897 144 HA LYS 19 HA LYS 19 9.721 5.354 -23.329 145 HB2 LYS 19 3HB LYS 19 7.102 4.188 -24.233 146 HB3 LYS 19 2HB LYS 19 7.444 5.906 -24.380 147 HG2 LYS 19 3HG LYS 19 9.372 5.437 -25.768 148 HG3 LYS 19 2HG LYS 19 9.116 3.704 -25.577 149 HD2 LYS 19 3HD LYS 19 6.985 3.865 -26.728 150 HD3 LYS 19 2HD LYS 19 7.169 5.617 -26.858 151 HE2 LYS 19 3HE LYS 19 9.124 5.343 -28.257 152 HE3 LYS 19 2HE LYS 19 9.058 3.595 -28.054 153 HZ1 LYS 19 1HZ LYS 19 6.981 3.542 -29.232 154 HZ2 LYS 19 2HZ LYS 19 8.137 4.342 -30.178 155 HZ3 LYS 19 3HZ LYS 19 6.953 5.227 -29.357 156 H SER 20 HN SER 20 9.183 4.402 -20.645 157 HA SER 20 HA SER 20 7.116 6.255 -19.708 158 HB2 SER 20 3HB SER 20 7.669 5.173 -17.472 159 HB3 SER 20 2HB SER 20 6.969 4.112 -18.693 160 HG SER 20 HG SER 20 8.778 3.022 -18.816 161 H HIS 21 HN HIS 21 10.520 6.133 -20.202 162 HA HIS 21 HA HIS 21 10.952 8.265 -18.238 163 HB2 HIS 21 3HB HIS 21 13.320 7.940 -18.560 164 HB3 HIS 21 2HB HIS 21 12.575 6.373 -18.289 165 HD1 HIS 21 1HD HIS 21 12.888 4.620 -20.073 166 HD2 HIS 21 2HD HIS 21 14.183 8.380 -21.277 167 HE1 HIS 21 1HE HIS 21 14.122 4.250 -22.229 168 HE2 HIS 21 2HE HIS 21 15.057 6.507 -22.834 169 H THR 22 HN THR 22 9.982 7.953 -21.337 170 HA THR 22 HA THR 22 11.474 9.650 -22.941 171 HB THR 22 HB THR 22 8.479 9.942 -23.067 172 HG1 THR 22 1HG THR 22 8.301 7.831 -23.122 173 HG21 THR 22 1HG2 THR 22 10.641 9.501 -25.131 174 HG22 THR 22 2HG2 THR 22 9.898 11.050 -24.731 175 HG23 THR 22 3HG2 THR 22 8.929 9.771 -25.461 176 H SER 23 HN SER 23 8.926 10.841 -20.632 177 HA SER 23 HA SER 23 10.184 13.476 -20.934 178 HB2 SER 23 3HB SER 23 7.363 12.935 -20.010 179 HB3 SER 23 2HB SER 23 8.065 14.489 -20.460 180 HG SER 23 HG SER 23 7.367 12.300 -22.116 181 H LEU 24 HN LEU 24 8.538 11.308 -18.717 182 HA LEU 24 HA LEU 24 10.334 11.602 -16.586 183 HB2 LEU 24 3HB LEU 24 9.484 13.878 -16.399 184 HB3 LEU 24 2HB LEU 24 7.833 13.291 -16.383 185 HG LEU 24 HG LEU 24 8.271 12.180 -14.215 186 HD11 LEU 24 1HD1 LEU 24 10.672 11.847 -14.447 187 HD12 LEU 24 2HD1 LEU 24 10.295 12.735 -12.972 188 HD13 LEU 24 3HD1 LEU 24 10.928 13.590 -14.376 189 HD21 LEU 24 1HD2 LEU 24 8.328 14.224 -12.879 190 HD22 LEU 24 2HD2 LEU 24 7.280 14.404 -14.286 191 HD23 LEU 24 3HD2 LEU 24 8.888 15.130 -14.284 192 H GLU 25 HN GLU 25 6.978 11.204 -17.492 193 HA GLU 25 HA GLU 25 6.936 8.643 -16.094 194 HB2 GLU 25 3HB GLU 25 5.868 10.240 -14.572 195 HB3 GLU 25 2HB GLU 25 4.729 10.702 -15.817 196 HG2 GLU 25 3HG GLU 25 3.607 9.223 -14.366 197 HG3 GLU 25 2HG GLU 25 3.941 8.324 -15.845 198 H ASP 26 HN ASP 26 5.017 10.735 -18.232 199 HA ASP 26 HA ASP 26 4.068 10.439 -20.237 200 HB2 ASP 26 3HB ASP 26 5.899 8.065 -20.472 201 HB3 ASP 26 2HB ASP 26 5.050 8.846 -21.788 202 H ASP 27 HN ASP 27 2.397 9.521 -21.204 203 HA ASP 27 HA ASP 27 1.043 7.390 -19.746 204 HB2 ASP 27 3HB ASP 27 -0.246 9.423 -20.136 205 HB3 ASP 27 2HB ASP 27 0.031 9.293 -21.868 206 H ASP 28 HN ASP 28 3.152 7.536 -22.164 207 HA ASP 28 HA ASP 28 2.004 6.213 -24.331 208 HB2 ASP 28 3HB ASP 28 4.864 6.282 -23.389 209 HB3 ASP 28 2HB ASP 28 4.366 5.553 -24.913 210 H ASP 29 HN ASP 29 3.390 4.982 -21.417 211 HA ASP 29 HA ASP 29 2.556 2.277 -22.230 212 HB2 ASP 29 3HB ASP 29 4.283 1.345 -20.845 213 HB3 ASP 29 2HB ASP 29 5.025 2.558 -21.883 214 H GLY 30 HN GLY 30 0.829 4.232 -21.124 215 HA2 GLY 30 2HA GLY 30 0.422 3.979 -18.353 216 HA3 GLY 30 1HA GLY 30 -0.808 4.421 -19.526 217 H SER 31 HN SER 31 -0.095 1.749 -20.866 218 HA SER 31 HA SER 31 -2.110 0.166 -19.653 219 HB2 SER 31 3HB SER 31 0.016 -0.620 -21.660 220 HB3 SER 31 2HB SER 31 -1.444 -1.536 -21.289 221 HG SER 31 HG SER 31 -1.206 0.968 -22.578 222 H ARG 32 HN ARG 32 1.065 0.749 -18.760 223 HA ARG 32 HA ARG 32 2.053 -1.662 -17.861 224 HB2 ARG 32 3HB ARG 32 3.456 -0.449 -16.364 225 HB3 ARG 32 2HB ARG 32 3.233 0.568 -17.777 226 HG2 ARG 32 3HG ARG 32 1.633 1.944 -16.562 227 HG3 ARG 32 2HG ARG 32 1.765 0.884 -15.161 228 HD2 ARG 32 3HD ARG 32 3.143 2.707 -14.663 229 HD3 ARG 32 2HD ARG 32 4.249 1.436 -15.183 230 HE ARG 32 HE ARG 32 4.031 2.678 -17.462 231 HH11 ARG 32 1HH1 ARG 32 4.229 4.095 -14.266 232 HH12 ARG 32 2HH1 ARG 32 4.918 5.592 -14.827 233 HH21 ARG 32 1HH2 ARG 32 4.892 4.672 -18.219 234 HH22 ARG 32 2HH2 ARG 32 5.250 5.936 -17.070 235 H GLY 33 HN GLY 33 1.007 -3.165 -16.710 236 HA2 GLY 33 2HA GLY 33 0.103 -4.128 -14.813 237 HA3 GLY 33 1HA GLY 33 0.141 -2.553 -14.037 238 H GLY 34 HN GLY 34 -1.419 -2.060 -16.872 239 HA2 GLY 34 2HA GLY 34 -3.653 -2.074 -17.511 240 HA3 GLY 34 1HA GLY 34 -4.044 -2.982 -16.059 241 H ASP 35 HN ASP 35 -3.705 -1.642 -13.964 242 HA ASP 35 HA ASP 35 -4.458 1.160 -14.354 243 HB2 ASP 35 3HB ASP 35 -6.098 -0.855 -12.808 244 HB3 ASP 35 2HB ASP 35 -6.277 0.884 -12.617 245 H CYS 36 HN CYS 36 -2.126 1.143 -13.550 246 HA CYS 36 HA CYS 36 -1.724 0.486 -10.783 247 HB2 CYS 36 3HB CYS 36 0.015 2.158 -12.619 248 HB3 CYS 36 2HB CYS 36 0.476 1.548 -11.035 249 HG CYS 36 HG CYS 36 0.185 -0.130 -13.962 250 H GLU 37 HN GLU 37 -3.330 1.608 -9.703 251 HA GLU 37 HA GLU 37 -2.972 4.523 -9.554 252 HB2 GLU 37 3HB GLU 37 -5.255 3.639 -10.098 253 HB3 GLU 37 2HB GLU 37 -5.272 2.847 -8.530 254 HG2 GLU 37 3HG GLU 37 -4.972 5.112 -7.496 255 HG3 GLU 37 2HG GLU 37 -5.239 5.797 -9.099 256 H GLY 38 HN GLY 38 -0.964 3.714 -8.375 257 HA2 GLY 38 2HA GLY 38 -1.289 2.468 -5.809 258 HA3 GLY 38 1HA GLY 38 0.205 3.158 -6.434 259 H CYS 39 HN CYS 39 -1.309 3.335 -3.777 260 HA CYS 39 HA CYS 39 -1.768 6.209 -3.572 261 HB2 CYS 39 3HB CYS 39 -1.796 4.169 -1.342 262 HB3 CYS 39 2HB CYS 39 -2.600 5.734 -1.386 263 H SER 40 HN SER 40 0.683 5.943 -4.375 264 HA SER 40 HA SER 40 2.565 4.917 -2.540 265 HB2 SER 40 3HB SER 40 4.181 6.030 -4.201 266 HB3 SER 40 2HB SER 40 3.108 4.753 -4.765 267 HG SER 40 HG SER 40 3.271 7.294 -5.611 268 H GLY 41 HN GLY 41 1.079 7.947 -2.842 269 HA2 GLY 41 2HA GLY 41 3.077 9.407 -1.314 270 HA3 GLY 41 1HA GLY 41 1.417 9.922 -1.540 271 H THR 42 HN THR 42 1.690 6.740 -0.364 272 HA THR 42 HA THR 42 1.237 7.696 2.392 273 HB THR 42 HB THR 42 -0.068 5.309 1.063 274 HG1 THR 42 1HG THR 42 -0.812 7.473 0.414 275 HG21 THR 42 1HG2 THR 42 -1.434 5.202 3.095 276 HG22 THR 42 2HG2 THR 42 -0.518 6.542 3.785 277 HG23 THR 42 3HG2 THR 42 0.276 5.000 3.471 278 H ALA 43 HN ALA 43 2.521 6.822 3.895 279 HA ALA 43 HA ALA 43 4.391 4.736 3.029 280 HB1 ALA 43 1HB ALA 43 5.344 6.820 3.932 281 HB2 ALA 43 2HB ALA 43 5.761 5.421 4.921 282 HB3 ALA 43 3HB ALA 43 4.503 6.535 5.456 283 H CYS 44 HN CYS 44 4.187 2.793 3.623 284 HA CYS 44 HA CYS 44 2.461 2.073 5.898 285 HB2 CYS 44 3HB CYS 44 2.455 -0.168 4.774 286 HB3 CYS 44 2HB CYS 44 1.702 1.119 3.839 287 H SER 45 HN SER 45 3.481 1.437 7.672 288 HA SER 45 HA SER 45 6.080 0.145 7.428 289 HB2 SER 45 3HB SER 45 5.816 0.020 9.985 290 HB3 SER 45 2HB SER 45 5.983 1.631 9.283 291 HG SER 45 HG SER 45 4.259 1.850 10.563 292 H SER 46 HN SER 46 2.721 -0.539 7.705 293 HA SER 46 HA SER 46 3.347 -3.348 8.201 294 HB2 SER 46 3HB SER 46 0.771 -1.866 8.746 295 HB3 SER 46 2HB SER 46 1.070 -3.570 9.085 296 HG SER 46 HG SER 46 2.729 -2.908 10.522 297 H ASP 47 HN ASP 47 2.567 -4.859 6.834 298 HA ASP 47 HA ASP 47 1.868 -4.197 4.211 299 HB2 ASP 47 3HB ASP 47 1.429 -6.665 3.973 300 HB3 ASP 47 2HB ASP 47 3.017 -6.239 4.590 301 H ALA 48 HN ALA 48 -0.236 -5.406 6.873 302 HA ALA 48 HA ALA 48 -2.438 -5.798 5.252 303 HB1 ALA 48 1HB ALA 48 -2.282 -5.337 8.210 304 HB2 ALA 48 2HB ALA 48 -2.210 -6.892 7.382 305 HB3 ALA 48 3HB ALA 48 -3.697 -5.945 7.351 306 H GLN 49 HN GLN 49 -1.138 -2.879 6.524 307 HA GLN 49 HA GLN 49 -3.670 -1.567 6.791 308 HB2 GLN 49 3HB GLN 49 -2.445 0.433 7.350 309 HB3 GLN 49 2HB GLN 49 -1.785 -0.932 8.231 310 HG2 GLN 49 3HG GLN 49 0.047 -1.054 6.573 311 HG3 GLN 49 2HG GLN 49 -0.593 0.407 5.821 312 HE21 GLN 49 1HE2 GLN 49 -0.690 -0.117 9.266 313 HE22 GLN 49 2HE2 GLN 49 0.493 1.078 9.680 314 H CYS 50 HN CYS 50 -1.565 -2.280 4.265 315 HA CYS 50 HA CYS 50 -2.629 -0.144 2.589 316 HB2 CYS 50 3HB CYS 50 -0.512 -2.217 2.014 317 HB3 CYS 50 2HB CYS 50 -1.361 -1.407 0.721 318 H ARG 51 HN ARG 51 -3.082 -3.574 3.121 319 HA ARG 51 HA ARG 51 -4.985 -3.825 1.002 320 HB2 ARG 51 3HB ARG 51 -4.414 -5.508 3.430 321 HB3 ARG 51 2HB ARG 51 -5.729 -5.871 2.330 322 HG2 ARG 51 3HG ARG 51 -4.207 -7.150 1.306 323 HG3 ARG 51 2HG ARG 51 -3.672 -5.626 0.593 324 HD2 ARG 51 3HD ARG 51 -1.759 -6.769 1.475 325 HD3 ARG 51 2HD ARG 51 -2.096 -5.360 2.487 326 HE ARG 51 HE ARG 51 -3.419 -7.249 3.809 327 HH11 ARG 51 1HH1 ARG 51 -0.200 -7.309 2.445 328 HH12 ARG 51 2HH1 ARG 51 0.415 -8.418 3.631 329 HH21 ARG 51 1HH2 ARG 51 -2.624 -8.709 5.354 330 HH22 ARG 51 2HH2 ARG 51 -0.961 -9.201 5.295 331 H ALA 52 HN ALA 52 -5.051 -3.067 4.415 332 HA ALA 52 HA ALA 52 -7.908 -2.789 4.550 333 HB1 ALA 52 1HB ALA 52 -6.599 -3.316 6.545 334 HB2 ALA 52 2HB ALA 52 -7.510 -1.821 6.757 335 HB3 ALA 52 3HB ALA 52 -5.779 -1.761 6.424 336 H ARG 53 HN ARG 53 -5.349 -0.927 3.350 337 HA ARG 53 HA ARG 53 -6.658 1.619 3.561 338 HB2 ARG 53 3HB ARG 53 -4.134 1.137 3.261 339 HB3 ARG 53 2HB ARG 53 -4.526 0.968 1.558 340 HG2 ARG 53 3HG ARG 53 -3.691 3.200 2.105 341 HG3 ARG 53 2HG ARG 53 -5.344 3.244 1.486 342 HD2 ARG 53 3HD ARG 53 -4.818 4.697 3.514 343 HD3 ARG 53 2HD ARG 53 -6.245 3.671 3.606 344 HE ARG 53 HE ARG 53 -4.965 2.150 4.998 345 HH11 ARG 53 1HH1 ARG 53 -3.569 5.332 4.528 346 HH12 ARG 53 2HH1 ARG 53 -2.657 5.278 6.005 347 HH21 ARG 53 1HH2 ARG 53 -3.787 2.095 6.934 348 HH22 ARG 53 2HH2 ARG 53 -2.782 3.439 7.373 349 H GLY 54 HN GLY 54 -7.127 -1.119 1.708 350 HA2 GLY 54 2HA GLY 54 -8.549 -1.520 -0.071 351 HA3 GLY 54 1HA GLY 54 -8.920 0.200 -0.118 352 H CYS 55 HN CYS 55 -5.819 0.399 -0.043 353 HA CYS 55 HA CYS 55 -5.485 0.920 -2.791 354 HB2 CYS 55 3HB CYS 55 -3.441 0.786 -0.577 355 HB3 CYS 55 2HB CYS 55 -3.083 1.322 -2.218 356 H ASP 56 HN ASP 56 -3.290 -1.462 -1.148 357 HA ASP 56 HA ASP 56 -4.119 -3.675 -2.601 358 HB2 ASP 56 3HB ASP 56 -3.371 -2.597 -4.648 359 HB3 ASP 56 2HB ASP 56 -1.823 -2.180 -3.917 360 H GLY 57 HN GLY 57 -0.913 -2.136 -1.936 361 HA2 GLY 57 2HA GLY 57 -0.442 -4.027 0.182 362 HA3 GLY 57 1HA GLY 57 0.398 -4.456 -1.296 363 H CYS 58 HN CYS 58 1.542 -3.838 1.189 364 HA CYS 58 HA CYS 58 2.757 -1.242 0.967 365 HB2 CYS 58 3HB CYS 58 2.312 -2.404 3.154 366 HB3 CYS 58 2HB CYS 58 3.568 -3.565 2.728 367 H SER 59 HN SER 59 4.558 -0.772 -0.158 368 HA SER 59 HA SER 59 5.981 -2.919 -1.488 369 HB2 SER 59 3HB SER 59 5.497 -0.819 -2.694 370 HB3 SER 59 2HB SER 59 6.443 0.081 -1.512 371 HG SER 59 HG SER 59 7.270 -1.270 -3.699 372 H THR 60 HN THR 60 8.328 -3.277 -1.194 373 HA THR 60 HA THR 60 9.120 -3.369 1.487 374 HB THR 60 HB THR 60 11.479 -3.634 0.238 375 HG1 THR 60 1HG THR 60 10.880 -4.649 -1.845 376 HG21 THR 60 1HG2 THR 60 10.336 -5.361 1.532 377 HG22 THR 60 2HG2 THR 60 10.939 -6.017 0.010 378 HG23 THR 60 3HG2 THR 60 9.225 -5.643 0.192 379 H SER 61 HN SER 61 8.861 -0.469 -0.019 380 HA SER 61 HA SER 61 11.186 0.605 1.388 381 HB2 SER 61 3HB SER 61 11.322 0.821 -1.095 382 HB3 SER 61 2HB SER 61 9.842 1.775 -1.058 383 HG SER 61 HG SER 61 12.266 2.444 0.267 384 H GLY 62 HN GLY 62 8.319 0.097 2.239 385 HA2 GLY 62 2HA GLY 62 6.838 1.120 3.636 386 HA3 GLY 62 1HA GLY 62 8.027 2.395 3.827 387 H VAL 63 HN VAL 63 6.399 1.465 0.815 388 HA VAL 63 HA VAL 63 4.786 3.915 1.001 389 HB VAL 63 HB VAL 63 5.028 4.312 -1.424 390 HG11 VAL 63 1HG1 VAL 63 7.636 4.277 0.083 391 HG12 VAL 63 2HG1 VAL 63 6.423 5.558 0.112 392 HG13 VAL 63 3HG1 VAL 63 7.306 5.213 -1.375 393 HG21 VAL 63 1HG2 VAL 63 7.191 2.219 -1.336 394 HG22 VAL 63 2HG2 VAL 63 6.745 3.211 -2.723 395 HG23 VAL 63 3HG2 VAL 63 5.611 2.017 -2.091 396 H CYS 64 HN CYS 64 2.793 3.829 -0.386 397 HA CYS 64 HA CYS 64 1.804 1.051 -0.105 398 HB2 CYS 64 3HB CYS 64 0.825 3.019 1.295 399 HB3 CYS 64 2HB CYS 64 0.021 3.475 -0.201 400 H VAL 65 HN VAL 65 1.516 0.009 -1.987 401 HA VAL 65 HA VAL 65 0.706 1.535 -4.359 402 HB VAL 65 HB VAL 65 2.593 0.794 -5.681 403 HG11 VAL 65 1HG1 VAL 65 2.912 2.831 -4.434 404 HG12 VAL 65 2HG1 VAL 65 4.432 1.947 -4.572 405 HG13 VAL 65 3HG1 VAL 65 3.518 1.908 -3.063 406 HG21 VAL 65 1HG2 VAL 65 4.463 -0.465 -4.698 407 HG22 VAL 65 2HG2 VAL 65 2.960 -1.390 -4.676 408 HG23 VAL 65 3HG2 VAL 65 3.547 -0.628 -3.199 409 H LEU 66 HN LEU 66 0.677 -0.155 -6.321 410 HA LEU 66 HA LEU 66 -0.477 -2.652 -5.558 411 HB2 LEU 66 3HB LEU 66 -0.605 -1.390 -7.842 412 HB3 LEU 66 2HB LEU 66 0.941 -2.145 -8.169 413 HG LEU 66 HG LEU 66 -1.574 -3.688 -7.521 414 HD11 LEU 66 1HD1 LEU 66 -0.340 -3.067 -10.201 415 HD12 LEU 66 2HD1 LEU 66 -1.876 -2.450 -9.589 416 HD13 LEU 66 3HD1 LEU 66 -1.685 -4.172 -9.917 417 HD21 LEU 66 1HD2 LEU 66 1.062 -4.568 -8.694 418 HD22 LEU 66 2HD2 LEU 66 -0.351 -5.588 -8.429 419 HD23 LEU 66 3HD2 LEU 66 0.502 -4.891 -7.053 420 H SER 67 HN SER 67 0.917 -3.475 -4.023 421 HA SER 67 HA SER 67 3.638 -3.299 -3.804 422 HB2 SER 67 3HB SER 67 3.408 -5.583 -2.565 423 HB3 SER 67 2HB SER 67 2.582 -4.162 -1.932 424 HG SER 67 HG SER 67 0.801 -5.076 -3.466 425 H SER 68 HN SER 68 5.075 -3.782 -5.597 426 HA SER 68 HA SER 68 4.900 -6.295 -6.955 427 HB2 SER 68 3HB SER 68 7.284 -5.519 -7.672 428 HB3 SER 68 2HB SER 68 5.889 -4.593 -8.228 429 HG SER 68 HG SER 68 7.899 -3.600 -7.012 430 H LEU 69 HN LEU 69 4.743 -7.398 -4.769 431 HA LEU 69 HA LEU 69 7.385 -8.220 -3.845 432 HB2 LEU 69 3HB LEU 69 6.665 -6.315 -2.425 433 HB3 LEU 69 2HB LEU 69 5.209 -7.198 -2.012 434 HG LEU 69 HG LEU 69 6.601 -8.931 -0.920 435 HD11 LEU 69 1HD1 LEU 69 8.655 -8.685 -2.154 436 HD12 LEU 69 2HD1 LEU 69 8.966 -8.385 -0.445 437 HD13 LEU 69 3HD1 LEU 69 8.850 -7.034 -1.570 438 HD21 LEU 69 1HD2 LEU 69 7.221 -7.564 1.019 439 HD22 LEU 69 2HD2 LEU 69 5.633 -7.131 0.387 440 HD23 LEU 69 3HD2 LEU 69 7.026 -6.107 0.045 441 H HIS 70 HN HIS 70 7.368 -10.273 -2.845 442 HA HIS 70 HA HIS 70 5.128 -11.914 -3.676 443 HB2 HIS 70 3HB HIS 70 7.794 -12.643 -2.442 444 HB3 HIS 70 2HB HIS 70 6.571 -13.816 -2.920 445 HD1 HIS 70 1HD HIS 70 6.345 -14.337 -5.421 446 HD2 HIS 70 2HD HIS 70 9.136 -11.376 -4.585 447 HE1 HIS 70 1HE HIS 70 7.596 -13.963 -7.566 448 HE2 HIS 70 2HE HIS 70 9.135 -12.030 -7.087 449 H HIS 71 HN HIS 71 3.704 -12.923 -2.376 450 HA HIS 71 HA HIS 71 3.983 -12.577 0.533 451 HB2 HIS 71 3HB HIS 71 1.426 -12.144 -1.036 452 HB3 HIS 71 2HB HIS 71 1.604 -12.022 0.710 453 HD1 HIS 71 1HD HIS 71 1.816 -10.071 -2.367 454 HD2 HIS 71 2HD HIS 71 3.270 -9.762 1.517 455 HE1 HIS 71 1HE HIS 71 2.520 -7.674 -2.097 456 HE2 HIS 71 2HE HIS 71 3.267 -7.482 0.302 457 H HIS 72 HN HIS 72 3.728 -14.451 1.583 458 HA HIS 72 HA HIS 72 2.081 -16.548 0.381 459 HB2 HIS 72 3HB HIS 72 4.394 -16.921 -0.400 460 HB3 HIS 72 2HB HIS 72 4.946 -16.950 1.264 461 HD1 HIS 72 1HD HIS 72 5.340 -19.239 2.084 462 HD2 HIS 72 2HD HIS 72 2.307 -19.122 -0.766 463 HE1 HIS 72 1HE HIS 72 4.627 -21.628 1.752 464 HE2 HIS 72 2HE HIS 72 2.712 -21.523 0.118 465 H HIS 73 HN HIS 73 4.373 -16.210 3.076 466 HA HIS 73 HA HIS 73 2.569 -16.130 5.188 467 HB2 HIS 73 3HB HIS 73 1.974 -18.427 4.230 468 HB3 HIS 73 2HB HIS 73 3.572 -18.950 4.739 469 HD1 HIS 73 1HD HIS 73 3.321 -20.320 6.770 470 HD2 HIS 73 2HD HIS 73 0.716 -17.079 6.773 471 HE1 HIS 73 1HE HIS 73 2.066 -20.461 8.944 472 HE2 HIS 73 2HE HIS 73 0.594 -18.420 8.983 473 H HIS 74 HN HIS 74 3.716 -15.958 7.148 474 HA HIS 74 HA HIS 74 5.509 -15.377 8.410 475 HB2 HIS 74 3HB HIS 74 6.668 -17.685 6.871 476 HB3 HIS 74 2HB HIS 74 7.662 -16.762 7.990 477 HD1 HIS 74 1HD HIS 74 5.800 -19.740 7.907 478 HD2 HIS 74 2HD HIS 74 6.172 -16.655 10.667 479 HE1 HIS 74 1HE HIS 74 5.063 -20.707 10.111 480 HE2 HIS 74 2HE HIS 74 5.170 -18.788 11.734 481 H HIS 75 HN HIS 75 5.163 -13.461 6.830 482 HA HIS 75 HA HIS 75 7.507 -13.025 5.137 483 HB2 HIS 75 3HB HIS 75 5.310 -12.526 4.151 484 HB3 HIS 75 2HB HIS 75 4.980 -11.384 5.447 485 HD1 HIS 75 1HD HIS 75 7.208 -11.836 2.437 486 HD2 HIS 75 2HD HIS 75 6.021 -8.861 5.084 487 HE1 HIS 75 1HE HIS 75 8.086 -9.687 1.474 488 HE2 HIS 75 2HE HIS 75 7.544 -7.940 3.209 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -20.313 -8.922 4.700 2 H2 MET 1 2HT MET 1 -21.183 -8.072 3.527 3 H3 MET 1 3HT MET 1 -21.918 -8.479 4.991 4 HA MET 1 HA MET 1 -21.293 -6.140 4.883 5 HB2 MET 1 3HB MET 1 -19.849 -7.859 6.906 6 HB3 MET 1 2HB MET 1 -19.979 -6.113 7.032 7 HG2 MET 1 3HG MET 1 -21.630 -7.086 8.435 8 HG3 MET 1 2HG MET 1 -22.445 -6.347 7.060 9 HE1 MET 1 1HE MET 1 -20.527 -9.813 7.332 10 HE2 MET 1 2HE MET 1 -21.880 -10.892 7.670 11 HE3 MET 1 3HE MET 1 -21.416 -9.663 8.846 12 H CYS 2 HN CYS 2 -20.050 -6.278 2.732 13 HA CYS 2 HA CYS 2 -17.159 -6.291 3.101 14 HB2 CYS 2 3HB CYS 2 -17.093 -6.125 0.620 15 HB3 CYS 2 2HB CYS 2 -17.988 -7.526 1.193 16 HG CYS 2 HG CYS 2 -18.996 -5.878 -1.138 17 H GLU 3 HN GLU 3 -16.309 -4.513 1.210 18 HA GLU 3 HA GLU 3 -16.572 -2.043 2.594 19 HB2 GLU 3 3HB GLU 3 -15.143 -2.875 0.088 20 HB3 GLU 3 2HB GLU 3 -15.227 -1.185 0.558 21 HG2 GLU 3 3HG GLU 3 -13.146 -2.170 1.281 22 HG3 GLU 3 2HG GLU 3 -14.125 -1.714 2.671 23 H PHE 4 HN PHE 4 -17.398 -0.094 1.864 24 HA PHE 4 HA PHE 4 -19.213 -0.193 -0.466 25 HB2 PHE 4 3HB PHE 4 -20.502 -0.366 1.664 26 HB3 PHE 4 2HB PHE 4 -19.779 1.143 2.208 27 HD1 PHE 4 1HD PHE 4 -20.871 3.129 1.804 28 HD2 PHE 4 2HD PHE 4 -21.801 -0.262 -0.589 29 HE1 PHE 4 1HE PHE 4 -22.683 4.395 0.725 30 HE2 PHE 4 2HE PHE 4 -23.615 0.995 -1.673 31 HZ PHE 4 HZ PHE 4 -24.058 3.328 -1.018 32 H ILE 5 HN ILE 5 -19.531 1.947 -1.419 33 HA ILE 5 HA ILE 5 -17.031 3.389 -1.388 34 HB ILE 5 HB ILE 5 -19.448 3.784 -3.178 35 HG12 ILE 5 3HG1 ILE 5 -17.786 2.833 -4.908 36 HG13 ILE 5 2HG1 ILE 5 -16.862 2.265 -3.525 37 HG21 ILE 5 1HG2 ILE 5 -18.136 5.830 -2.971 38 HG22 ILE 5 2HG2 ILE 5 -17.958 5.131 -4.579 39 HG23 ILE 5 3HG2 ILE 5 -16.671 4.944 -3.391 40 HD11 ILE 5 1HD1 ILE 5 -19.690 1.494 -4.208 41 HD12 ILE 5 2HD1 ILE 5 -18.785 0.935 -2.804 42 HD13 ILE 5 3HD1 ILE 5 -18.250 0.502 -4.426 43 H GLU 6 HN GLU 6 -17.613 3.941 0.868 44 HA GLU 6 HA GLU 6 -18.746 6.631 0.854 45 HB2 GLU 6 3HB GLU 6 -20.358 5.001 1.883 46 HB3 GLU 6 2HB GLU 6 -19.135 4.639 3.091 47 HG2 GLU 6 3HG GLU 6 -20.749 6.158 4.009 48 HG3 GLU 6 2HG GLU 6 -19.206 6.988 3.827 49 H ASP 7 HN ASP 7 -16.120 5.695 0.508 50 HA ASP 7 HA ASP 7 -14.749 5.960 3.060 51 HB2 ASP 7 3HB ASP 7 -12.765 5.240 1.808 52 HB3 ASP 7 2HB ASP 7 -14.105 4.123 1.583 53 H SER 8 HN SER 8 -16.039 8.246 1.587 54 HA SER 8 HA SER 8 -13.797 9.883 0.757 55 HB2 SER 8 3HB SER 8 -16.665 10.768 1.078 56 HB3 SER 8 2HB SER 8 -15.415 11.485 0.068 57 HG SER 8 HG SER 8 -17.109 9.436 -0.474 58 H GLU 9 HN GLU 9 -15.037 9.025 3.684 59 HA GLU 9 HA GLU 9 -15.218 11.520 5.024 60 HB2 GLU 9 3HB GLU 9 -14.697 8.774 6.176 61 HB3 GLU 9 2HB GLU 9 -15.175 10.195 7.093 62 HG2 GLU 9 3HG GLU 9 -16.810 8.802 4.986 63 HG3 GLU 9 2HG GLU 9 -17.060 8.721 6.727 64 H ASP 10 HN ASP 10 -12.549 9.883 3.812 65 HA ASP 10 HA ASP 10 -10.613 10.610 5.765 66 HB2 ASP 10 3HB ASP 10 -10.161 8.898 4.032 67 HB3 ASP 10 2HB ASP 10 -10.209 10.158 2.802 68 H ILE 11 HN ILE 11 -12.032 12.186 2.985 69 HA ILE 11 HA ILE 11 -10.341 14.461 2.938 70 HB ILE 11 HB ILE 11 -13.213 14.200 2.021 71 HG12 ILE 11 3HG1 ILE 11 -11.755 12.592 0.905 72 HG13 ILE 11 2HG1 ILE 11 -12.245 13.855 -0.218 73 HG21 ILE 11 1HG2 ILE 11 -12.747 16.129 0.593 74 HG22 ILE 11 2HG2 ILE 11 -11.136 16.265 1.299 75 HG23 ILE 11 3HG2 ILE 11 -12.565 16.531 2.301 76 HD11 ILE 11 1HD1 ILE 11 -10.068 14.947 0.092 77 HD12 ILE 11 2HD1 ILE 11 -9.916 13.302 -0.526 78 HD13 ILE 11 3HD1 ILE 11 -9.585 13.641 1.173 79 H GLN 12 HN GLN 12 -13.260 13.612 4.689 80 HA GLN 12 HA GLN 12 -13.880 16.067 5.821 81 HB2 GLN 12 3HB GLN 12 -15.354 14.116 5.866 82 HB3 GLN 12 2HB GLN 12 -14.219 13.270 6.912 83 HG2 GLN 12 3HG GLN 12 -14.551 14.949 8.624 84 HG3 GLN 12 2HG GLN 12 -15.692 15.779 7.579 85 HE21 GLN 12 1HE2 GLN 12 -17.713 14.848 7.189 86 HE22 GLN 12 2HE2 GLN 12 -18.350 13.593 8.189 87 H GLY 13 HN GLY 13 -11.640 13.548 6.764 88 HA2 GLY 13 2HA GLY 13 -10.958 14.497 9.317 89 HA3 GLY 13 1HA GLY 13 -9.976 13.433 8.328 90 H LEU 14 HN LEU 14 -10.115 15.756 6.245 91 HA LEU 14 HA LEU 14 -7.599 16.880 6.908 92 HB2 LEU 14 3HB LEU 14 -9.640 17.824 4.891 93 HB3 LEU 14 2HB LEU 14 -7.968 18.345 4.966 94 HG LEU 14 HG LEU 14 -8.889 15.529 4.386 95 HD11 LEU 14 1HD1 LEU 14 -9.409 17.095 2.578 96 HD12 LEU 14 2HD1 LEU 14 -8.138 15.964 2.117 97 HD13 LEU 14 3HD1 LEU 14 -7.727 17.622 2.555 98 HD21 LEU 14 1HD2 LEU 14 -6.533 15.144 3.812 99 HD22 LEU 14 2HD2 LEU 14 -6.739 15.569 5.510 100 HD23 LEU 14 3HD2 LEU 14 -6.141 16.769 4.367 101 H LYS 15 HN LYS 15 -10.899 17.912 7.368 102 HA LYS 15 HA LYS 15 -9.918 20.303 8.763 103 HB2 LYS 15 3HB LYS 15 -11.980 21.497 8.032 104 HB3 LYS 15 2HB LYS 15 -10.888 21.100 6.718 105 HG2 LYS 15 3HG LYS 15 -13.196 19.308 7.354 106 HG3 LYS 15 2HG LYS 15 -13.432 20.773 6.404 107 HD2 LYS 15 3HD LYS 15 -11.730 19.986 4.809 108 HD3 LYS 15 2HD LYS 15 -11.548 18.508 5.753 109 HE2 LYS 15 3HE LYS 15 -12.986 18.092 3.856 110 HE3 LYS 15 2HE LYS 15 -13.918 17.987 5.346 111 HZ1 LYS 15 1HZ LYS 15 -15.077 19.206 3.592 112 HZ2 LYS 15 2HZ LYS 15 -13.838 20.357 3.563 113 HZ3 LYS 15 3HZ LYS 15 -14.795 20.176 4.947 114 H SER 16 HN SER 16 -10.476 17.737 9.882 115 HA SER 16 HA SER 16 -13.118 17.729 10.998 116 HB2 SER 16 3HB SER 16 -12.187 15.761 12.304 117 HB3 SER 16 2HB SER 16 -12.153 15.607 10.548 118 HG SER 16 HG SER 16 -10.167 15.042 11.768 119 H LEU 17 HN LEU 17 -11.427 20.052 11.645 120 HA LEU 17 HA LEU 17 -10.971 19.820 14.489 121 HB2 LEU 17 3HB LEU 17 -9.593 21.244 12.884 122 HB3 LEU 17 2HB LEU 17 -10.962 22.330 12.821 123 HG LEU 17 HG LEU 17 -9.074 23.011 14.350 124 HD11 LEU 17 1HD1 LEU 17 -11.287 23.996 14.563 125 HD12 LEU 17 2HD1 LEU 17 -10.529 23.795 16.141 126 HD13 LEU 17 3HD1 LEU 17 -11.786 22.675 15.618 127 HD21 LEU 17 1HD2 LEU 17 -10.146 20.781 16.072 128 HD22 LEU 17 2HD2 LEU 17 -8.911 21.955 16.525 129 HD23 LEU 17 3HD2 LEU 17 -8.587 20.783 15.249 130 H ARG 18 HN ARG 18 -13.255 21.190 12.263 131 HA ARG 18 HA ARG 18 -14.998 22.014 14.474 132 HB2 ARG 18 3HB ARG 18 -14.447 23.692 12.709 133 HB3 ARG 18 2HB ARG 18 -15.246 22.664 11.530 134 HG2 ARG 18 3HG ARG 18 -17.360 22.943 12.657 135 HG3 ARG 18 2HG ARG 18 -16.584 23.867 13.941 136 HD2 ARG 18 3HD ARG 18 -17.618 25.432 12.488 137 HD3 ARG 18 2HD ARG 18 -15.883 25.524 12.196 138 HE ARG 18 HE ARG 18 -17.137 23.716 10.391 139 HH11 ARG 18 1HH1 ARG 18 -16.627 27.119 11.020 140 HH12 ARG 18 2HH1 ARG 18 -16.854 27.594 9.368 141 HH21 ARG 18 1HH2 ARG 18 -17.457 24.340 8.212 142 HH22 ARG 18 2HH2 ARG 18 -17.334 26.016 7.774 143 H LYS 19 HN LYS 19 -15.840 20.026 15.055 144 HA LYS 19 HA LYS 19 -18.027 19.091 13.520 145 HB2 LYS 19 3HB LYS 19 -17.261 16.757 13.159 146 HB3 LYS 19 2HB LYS 19 -16.383 17.924 12.197 147 HG2 LYS 19 3HG LYS 19 -14.765 16.417 12.894 148 HG3 LYS 19 2HG LYS 19 -14.564 17.765 14.005 149 HD2 LYS 19 3HD LYS 19 -15.880 16.557 15.689 150 HD3 LYS 19 2HD LYS 19 -16.071 15.211 14.565 151 HE2 LYS 19 3HE LYS 19 -13.652 14.880 14.543 152 HE3 LYS 19 2HE LYS 19 -13.449 16.240 15.646 153 HZ1 LYS 19 1HZ LYS 19 -14.630 15.051 17.337 154 HZ2 LYS 19 2HZ LYS 19 -13.384 14.055 16.759 155 HZ3 LYS 19 3HZ LYS 19 -14.988 13.781 16.279 156 H SER 20 HN SER 20 -19.477 17.976 14.773 157 HA SER 20 HA SER 20 -18.619 17.539 17.556 158 HB2 SER 20 3HB SER 20 -21.403 18.271 16.613 159 HB3 SER 20 2HB SER 20 -20.822 18.206 18.278 160 HG SER 20 HG SER 20 -20.346 20.111 16.287 161 H HIS 21 HN HIS 21 -21.446 16.539 15.560 162 HA HIS 21 HA HIS 21 -20.938 13.803 16.495 163 HB2 HIS 21 3HB HIS 21 -23.226 13.265 15.915 164 HB3 HIS 21 2HB HIS 21 -23.209 14.694 16.935 165 HD1 HIS 21 1HD HIS 21 -24.238 16.804 15.998 166 HD2 HIS 21 2HD HIS 21 -23.926 13.765 13.181 167 HE1 HIS 21 1HE HIS 21 -25.585 17.571 14.025 168 HE2 HIS 21 2HE HIS 21 -25.529 15.642 12.408 169 H THR 22 HN THR 22 -20.555 15.834 13.853 170 HA THR 22 HA THR 22 -20.890 14.326 11.568 171 HB THR 22 HB THR 22 -18.234 15.622 11.708 172 HG1 THR 22 1HG THR 22 -20.303 17.460 11.727 173 HG21 THR 22 1HG2 THR 22 -19.314 15.000 9.598 174 HG22 THR 22 2HG2 THR 22 -19.089 16.746 9.710 175 HG23 THR 22 3HG2 THR 22 -20.682 16.043 9.988 176 H SER 23 HN SER 23 -18.063 13.932 13.806 177 HA SER 23 HA SER 23 -17.816 11.218 12.862 178 HB2 SER 23 3HB SER 23 -16.330 12.373 11.322 179 HB3 SER 23 2HB SER 23 -15.552 13.222 12.657 180 HG SER 23 HG SER 23 -14.780 10.974 11.620 181 H LEU 24 HN LEU 24 -17.739 10.042 14.639 182 HA LEU 24 HA LEU 24 -16.885 11.238 17.145 183 HB2 LEU 24 3HB LEU 24 -17.991 8.483 16.588 184 HB3 LEU 24 2HB LEU 24 -17.758 9.198 18.170 185 HG LEU 24 HG LEU 24 -19.659 10.246 16.072 186 HD11 LEU 24 1HD1 LEU 24 -20.216 8.680 18.584 187 HD12 LEU 24 2HD1 LEU 24 -20.367 8.080 16.934 188 HD13 LEU 24 3HD1 LEU 24 -21.423 9.372 17.503 189 HD21 LEU 24 1HD2 LEU 24 -19.230 11.026 18.955 190 HD22 LEU 24 2HD2 LEU 24 -20.529 11.618 17.920 191 HD23 LEU 24 3HD2 LEU 24 -18.853 12.003 17.534 192 H GLU 25 HN GLU 25 -15.435 9.732 14.644 193 HA GLU 25 HA GLU 25 -13.302 9.046 14.266 194 HB2 GLU 25 3HB GLU 25 -12.879 10.076 17.069 195 HB3 GLU 25 2HB GLU 25 -11.586 9.596 15.976 196 HG2 GLU 25 3HG GLU 25 -12.303 11.298 14.379 197 HG3 GLU 25 2HG GLU 25 -13.592 11.784 15.478 198 H ASP 26 HN ASP 26 -15.183 7.123 15.167 199 HA ASP 26 HA ASP 26 -13.231 5.146 16.075 200 HB2 ASP 26 3HB ASP 26 -14.945 3.889 17.215 201 HB3 ASP 26 2HB ASP 26 -14.970 5.539 17.819 202 H ASP 27 HN ASP 27 -16.160 5.688 14.302 203 HA ASP 27 HA ASP 27 -15.628 3.445 12.521 204 HB2 ASP 27 3HB ASP 27 -17.945 3.868 13.339 205 HB3 ASP 27 2HB ASP 27 -17.928 5.419 12.506 206 H ASP 28 HN ASP 28 -14.506 6.406 12.853 207 HA ASP 28 HA ASP 28 -14.923 7.718 10.408 208 HB2 ASP 28 3HB ASP 28 -14.166 8.907 12.394 209 HB3 ASP 28 2HB ASP 28 -12.663 7.990 12.388 210 H ASP 29 HN ASP 29 -12.301 5.722 11.550 211 HA ASP 29 HA ASP 29 -10.781 5.904 9.141 212 HB2 ASP 29 3HB ASP 29 -9.769 5.411 11.363 213 HB3 ASP 29 2HB ASP 29 -10.562 3.839 11.341 214 H GLY 30 HN GLY 30 -13.365 3.902 10.245 215 HA2 GLY 30 2HA GLY 30 -13.042 1.724 8.463 216 HA3 GLY 30 1HA GLY 30 -14.548 2.217 9.226 217 H SER 31 HN SER 31 -14.905 4.729 8.242 218 HA SER 31 HA SER 31 -15.507 4.236 5.444 219 HB2 SER 31 3HB SER 31 -16.134 6.633 7.189 220 HB3 SER 31 2HB SER 31 -16.772 6.338 5.570 221 HG SER 31 HG SER 31 -17.963 5.656 7.683 222 H ARG 32 HN ARG 32 -12.749 4.662 6.508 223 HA ARG 32 HA ARG 32 -11.979 7.021 4.930 224 HB2 ARG 32 3HB ARG 32 -11.284 7.128 7.264 225 HB3 ARG 32 2HB ARG 32 -10.519 5.553 7.132 226 HG2 ARG 32 3HG ARG 32 -8.965 6.523 5.449 227 HG3 ARG 32 2HG ARG 32 -9.669 8.105 5.797 228 HD2 ARG 32 3HD ARG 32 -9.013 7.897 8.131 229 HD3 ARG 32 2HD ARG 32 -8.342 6.298 7.811 230 HE ARG 32 HE ARG 32 -7.277 8.575 6.311 231 HH11 ARG 32 1HH1 ARG 32 -6.882 6.160 8.816 232 HH12 ARG 32 2HH1 ARG 32 -5.174 6.422 8.980 233 HH21 ARG 32 1HH2 ARG 32 -5.016 8.915 6.514 234 HH22 ARG 32 2HH2 ARG 32 -4.108 7.977 7.660 235 H GLY 33 HN GLY 33 -11.527 6.341 2.888 236 HA2 GLY 33 2HA GLY 33 -9.755 3.993 2.641 237 HA3 GLY 33 1HA GLY 33 -11.096 4.264 1.538 238 H GLY 34 HN GLY 34 -10.972 5.942 0.009 239 HA2 GLY 34 2HA GLY 34 -9.848 7.494 -1.329 240 HA3 GLY 34 1HA GLY 34 -8.458 7.378 -0.255 241 H ASP 35 HN ASP 35 -10.307 5.260 -2.436 242 HA ASP 35 HA ASP 35 -8.353 3.355 -2.905 243 HB2 ASP 35 3HB ASP 35 -9.504 2.901 -5.075 244 HB3 ASP 35 2HB ASP 35 -10.593 2.945 -3.694 245 H CYS 36 HN CYS 36 -8.888 6.395 -4.662 246 HA CYS 36 HA CYS 36 -6.014 6.277 -5.282 247 HB2 CYS 36 3HB CYS 36 -7.447 5.974 -7.344 248 HB3 CYS 36 2HB CYS 36 -8.106 7.579 -7.054 249 HG CYS 36 HG CYS 36 -5.622 6.867 -8.890 250 H GLU 37 HN GLU 37 -5.845 7.256 -3.305 251 HA GLU 37 HA GLU 37 -5.158 9.915 -3.360 252 HB2 GLU 37 3HB GLU 37 -7.834 9.998 -3.365 253 HB3 GLU 37 2HB GLU 37 -7.604 9.760 -1.640 254 HG2 GLU 37 3HG GLU 37 -6.414 12.003 -3.261 255 HG3 GLU 37 2HG GLU 37 -7.848 12.125 -2.248 256 H GLY 38 HN GLY 38 -3.577 8.326 -2.464 257 HA2 GLY 38 2HA GLY 38 -2.571 8.382 -0.146 258 HA3 GLY 38 1HA GLY 38 -4.121 7.746 0.382 259 H CYS 39 HN CYS 39 -2.958 6.617 -2.640 260 HA CYS 39 HA CYS 39 -1.924 4.175 -1.409 261 HB2 CYS 39 3HB CYS 39 -3.894 4.415 -3.687 262 HB3 CYS 39 2HB CYS 39 -3.028 2.928 -3.309 263 H SER 40 HN SER 40 -0.033 5.842 -2.012 264 HA SER 40 HA SER 40 1.462 4.463 -3.944 265 HB2 SER 40 3HB SER 40 1.781 6.422 -5.533 266 HB3 SER 40 2HB SER 40 0.255 5.556 -5.612 267 HG SER 40 HG SER 40 -0.698 7.212 -4.371 268 H GLY 41 HN GLY 41 1.292 7.867 -3.035 269 HA2 GLY 41 2HA GLY 41 4.094 7.729 -2.131 270 HA3 GLY 41 1HA GLY 41 3.164 9.218 -2.268 271 H THR 42 HN THR 42 1.646 6.538 -0.719 272 HA THR 42 HA THR 42 1.844 7.928 1.847 273 HB THR 42 HB THR 42 0.258 5.859 2.413 274 HG1 THR 42 1HG THR 42 -1.046 5.546 0.436 275 HG21 THR 42 1HG2 THR 42 -0.367 8.201 2.626 276 HG22 THR 42 2HG2 THR 42 -1.657 7.301 1.826 277 HG23 THR 42 3HG2 THR 42 -0.577 8.324 0.880 278 H ALA 43 HN ALA 43 2.373 6.722 3.794 279 HA ALA 43 HA ALA 43 4.397 4.660 3.191 280 HB1 ALA 43 1HB ALA 43 5.597 5.424 5.164 281 HB2 ALA 43 2HB ALA 43 4.332 6.603 5.502 282 HB3 ALA 43 3HB ALA 43 5.322 6.766 4.053 283 H CYS 44 HN CYS 44 3.874 2.766 3.719 284 HA CYS 44 HA CYS 44 2.303 2.203 6.140 285 HB2 CYS 44 3HB CYS 44 2.220 -0.102 5.106 286 HB3 CYS 44 2HB CYS 44 1.388 1.161 4.201 287 H SER 45 HN SER 45 3.404 1.487 7.891 288 HA SER 45 HA SER 45 6.010 0.253 7.520 289 HB2 SER 45 3HB SER 45 4.461 0.137 10.115 290 HB3 SER 45 2HB SER 45 6.203 0.211 9.862 291 HG SER 45 HG SER 45 5.864 2.386 9.071 292 H SER 46 HN SER 46 2.671 -0.571 7.924 293 HA SER 46 HA SER 46 3.354 -3.430 7.859 294 HB2 SER 46 3HB SER 46 2.163 -2.812 9.906 295 HB3 SER 46 2HB SER 46 0.875 -2.080 8.956 296 HG SER 46 HG SER 46 1.042 -4.568 9.760 297 H ASP 47 HN ASP 47 2.418 -4.707 6.294 298 HA ASP 47 HA ASP 47 1.269 -3.676 3.987 299 HB2 ASP 47 3HB ASP 47 1.613 -6.362 5.148 300 HB3 ASP 47 2HB ASP 47 0.324 -6.207 3.959 301 H ALA 48 HN ALA 48 -0.314 -4.632 7.008 302 HA ALA 48 HA ALA 48 -2.831 -5.051 5.972 303 HB1 ALA 48 1HB ALA 48 -2.156 -5.782 8.199 304 HB2 ALA 48 2HB ALA 48 -3.636 -4.826 8.259 305 HB3 ALA 48 3HB ALA 48 -2.098 -4.102 8.731 306 H GLN 49 HN GLN 49 -1.121 -2.135 6.381 307 HA GLN 49 HA GLN 49 -3.401 -0.449 6.828 308 HB2 GLN 49 3HB GLN 49 -0.640 0.401 5.949 309 HB3 GLN 49 2HB GLN 49 -1.863 1.387 6.736 310 HG2 GLN 49 3HG GLN 49 -1.652 -0.074 8.739 311 HG3 GLN 49 2HG GLN 49 -0.303 -0.877 7.941 312 HE21 GLN 49 1HE2 GLN 49 -1.079 2.552 7.829 313 HE22 GLN 49 2HE2 GLN 49 0.339 3.090 8.665 314 H CYS 50 HN CYS 50 -1.376 -1.456 4.131 315 HA CYS 50 HA CYS 50 -2.718 0.290 2.267 316 HB2 CYS 50 3HB CYS 50 -0.938 -2.098 1.724 317 HB3 CYS 50 2HB CYS 50 -1.434 -0.890 0.548 318 H ARG 51 HN ARG 51 -2.767 -3.081 3.211 319 HA ARG 51 HA ARG 51 -4.669 -4.030 1.424 320 HB2 ARG 51 3HB ARG 51 -4.007 -4.883 4.241 321 HB3 ARG 51 2HB ARG 51 -5.107 -5.764 3.198 322 HG2 ARG 51 3HG ARG 51 -2.179 -5.282 2.757 323 HG3 ARG 51 2HG ARG 51 -2.981 -6.817 3.094 324 HD2 ARG 51 3HD ARG 51 -3.472 -5.113 0.664 325 HD3 ARG 51 2HD ARG 51 -2.399 -6.508 0.710 326 HE ARG 51 HE ARG 51 -5.007 -7.194 1.609 327 HH11 ARG 51 1HH1 ARG 51 -3.171 -6.508 -1.293 328 HH12 ARG 51 2HH1 ARG 51 -4.161 -7.512 -2.306 329 HH21 ARG 51 1HH2 ARG 51 -6.308 -8.521 0.273 330 HH22 ARG 51 2HH2 ARG 51 -5.941 -8.653 -1.417 331 H ALA 52 HN ALA 52 -5.145 -2.824 4.745 332 HA ALA 52 HA ALA 52 -7.978 -3.068 4.604 333 HB1 ALA 52 1HB ALA 52 -8.012 -1.873 6.720 334 HB2 ALA 52 2HB ALA 52 -6.316 -1.435 6.515 335 HB3 ALA 52 3HB ALA 52 -6.769 -3.126 6.731 336 H ARG 53 HN ARG 53 -5.769 -0.722 3.437 337 HA ARG 53 HA ARG 53 -7.822 1.357 3.413 338 HB2 ARG 53 3HB ARG 53 -5.446 1.944 3.895 339 HB3 ARG 53 2HB ARG 53 -5.048 1.503 2.239 340 HG2 ARG 53 3HG ARG 53 -6.431 3.259 1.374 341 HG3 ARG 53 2HG ARG 53 -7.037 3.632 2.988 342 HD2 ARG 53 3HD ARG 53 -4.816 4.332 3.680 343 HD3 ARG 53 2HD ARG 53 -4.171 3.903 2.095 344 HE ARG 53 HE ARG 53 -5.861 5.633 1.264 345 HH11 ARG 53 1HH1 ARG 53 -4.221 5.853 4.350 346 HH12 ARG 53 2HH1 ARG 53 -4.269 7.587 4.391 347 HH21 ARG 53 1HH2 ARG 53 -5.937 7.911 1.323 348 HH22 ARG 53 2HH2 ARG 53 -5.256 8.751 2.680 349 H GLY 54 HN GLY 54 -6.931 -1.213 1.488 350 HA2 GLY 54 2HA GLY 54 -7.915 -1.855 -0.539 351 HA3 GLY 54 1HA GLY 54 -8.614 -0.248 -0.669 352 H CYS 55 HN CYS 55 -5.391 -0.034 0.075 353 HA CYS 55 HA CYS 55 -4.664 1.031 -2.428 354 HB2 CYS 55 3HB CYS 55 -3.013 0.276 -0.013 355 HB3 CYS 55 2HB CYS 55 -2.319 1.015 -1.456 356 H ASP 56 HN ASP 56 -2.635 -1.631 -1.157 357 HA ASP 56 HA ASP 56 -3.697 -3.710 -2.624 358 HB2 ASP 56 3HB ASP 56 -3.017 -2.505 -4.656 359 HB3 ASP 56 2HB ASP 56 -1.371 -2.373 -4.052 360 H GLY 57 HN GLY 57 -0.381 -2.355 -1.982 361 HA2 GLY 57 2HA GLY 57 -0.163 -4.167 0.246 362 HA3 GLY 57 1HA GLY 57 0.805 -4.673 -1.126 363 H CYS 58 HN CYS 58 1.924 -4.035 1.289 364 HA CYS 58 HA CYS 58 2.976 -1.339 1.094 365 HB2 CYS 58 3HB CYS 58 2.432 -2.549 3.279 366 HB3 CYS 58 2HB CYS 58 3.888 -3.498 2.999 367 H SER 59 HN SER 59 4.748 -0.849 -0.034 368 HA SER 59 HA SER 59 6.260 -3.020 -1.211 369 HB2 SER 59 3HB SER 59 5.608 -1.069 -2.579 370 HB3 SER 59 2HB SER 59 6.585 -0.028 -1.548 371 HG SER 59 HG SER 59 7.412 -2.017 -3.374 372 H THR 60 HN THR 60 8.703 -2.908 -1.205 373 HA THR 60 HA THR 60 9.690 -3.463 1.269 374 HB THR 60 HB THR 60 11.964 -2.589 0.126 375 HG1 THR 60 1HG THR 60 11.539 -1.883 -1.822 376 HG21 THR 60 1HG2 THR 60 12.134 -4.806 -0.910 377 HG22 THR 60 2HG2 THR 60 10.400 -5.040 -0.701 378 HG23 THR 60 3HG2 THR 60 11.448 -4.905 0.709 379 H SER 61 HN SER 61 9.640 -0.140 -0.071 380 HA SER 61 HA SER 61 11.241 0.754 2.179 381 HB2 SER 61 3HB SER 61 10.326 2.320 -0.230 382 HB3 SER 61 2HB SER 61 11.544 2.812 0.947 383 HG SER 61 HG SER 61 12.590 0.710 0.253 384 H GLY 62 HN GLY 62 8.283 0.036 2.305 385 HA2 GLY 62 2HA GLY 62 6.596 0.743 3.682 386 HA3 GLY 62 1HA GLY 62 7.647 2.050 4.193 387 H VAL 63 HN VAL 63 5.988 1.160 1.172 388 HA VAL 63 HA VAL 63 4.532 3.705 1.307 389 HB VAL 63 HB VAL 63 4.726 3.870 -1.225 390 HG11 VAL 63 1HG1 VAL 63 7.214 4.274 0.430 391 HG12 VAL 63 2HG1 VAL 63 5.875 5.409 0.260 392 HG13 VAL 63 3HG1 VAL 63 6.888 5.026 -1.133 393 HG21 VAL 63 1HG2 VAL 63 6.999 1.965 -0.729 394 HG22 VAL 63 2HG2 VAL 63 6.765 2.886 -2.212 395 HG23 VAL 63 3HG2 VAL 63 5.578 1.678 -1.728 396 H CYS 64 HN CYS 64 2.558 3.682 0.012 397 HA CYS 64 HA CYS 64 1.371 0.981 0.248 398 HB2 CYS 64 3HB CYS 64 0.255 3.679 0.856 399 HB3 CYS 64 2HB CYS 64 -0.818 2.623 -0.036 400 H VAL 65 HN VAL 65 1.090 -0.031 -1.615 401 HA VAL 65 HA VAL 65 0.744 1.504 -4.085 402 HB VAL 65 HB VAL 65 2.814 0.880 -5.071 403 HG11 VAL 65 1HG1 VAL 65 3.041 2.713 -3.509 404 HG12 VAL 65 2HG1 VAL 65 4.509 1.731 -3.527 405 HG13 VAL 65 3HG1 VAL 65 3.346 1.563 -2.205 406 HG21 VAL 65 1HG2 VAL 65 3.593 -0.751 -2.673 407 HG22 VAL 65 2HG2 VAL 65 4.307 -0.746 -4.284 408 HG23 VAL 65 3HG2 VAL 65 2.713 -1.461 -4.025 409 H LEU 66 HN LEU 66 0.925 -0.075 -6.026 410 HA LEU 66 HA LEU 66 -0.207 -2.641 -5.566 411 HB2 LEU 66 3HB LEU 66 0.301 -3.106 -7.885 412 HB3 LEU 66 2HB LEU 66 -0.363 -1.497 -7.750 413 HG LEU 66 HG LEU 66 2.598 -2.027 -8.010 414 HD11 LEU 66 1HD1 LEU 66 1.469 -2.941 -9.952 415 HD12 LEU 66 2HD1 LEU 66 2.325 -1.461 -10.380 416 HD13 LEU 66 3HD1 LEU 66 0.576 -1.436 -10.165 417 HD21 LEU 66 1HD2 LEU 66 2.130 0.162 -7.144 418 HD22 LEU 66 2HD2 LEU 66 0.892 0.434 -8.370 419 HD23 LEU 66 3HD2 LEU 66 2.588 0.323 -8.838 420 H SER 67 HN SER 67 0.855 -4.262 -4.517 421 HA SER 67 HA SER 67 3.313 -3.791 -3.303 422 HB2 SER 67 3HB SER 67 3.179 -6.463 -3.058 423 HB3 SER 67 2HB SER 67 2.116 -5.381 -2.169 424 HG SER 67 HG SER 67 0.524 -5.712 -3.765 425 H SER 68 HN SER 68 5.369 -5.152 -3.451 426 HA SER 68 HA SER 68 6.253 -4.947 -6.190 427 HB2 SER 68 3HB SER 68 7.797 -5.566 -3.663 428 HB3 SER 68 2HB SER 68 8.491 -5.139 -5.227 429 HG SER 68 HG SER 68 7.845 -3.096 -4.989 430 H LEU 69 HN LEU 69 4.716 -6.996 -6.514 431 HA LEU 69 HA LEU 69 6.537 -9.316 -6.460 432 HB2 LEU 69 3HB LEU 69 3.538 -9.252 -6.168 433 HB3 LEU 69 2HB LEU 69 4.395 -10.704 -6.636 434 HG LEU 69 HG LEU 69 3.998 -10.922 -4.334 435 HD11 LEU 69 1HD1 LEU 69 6.198 -10.953 -3.331 436 HD12 LEU 69 2HD1 LEU 69 6.808 -9.877 -4.585 437 HD13 LEU 69 3HD1 LEU 69 6.277 -11.505 -5.004 438 HD21 LEU 69 1HD2 LEU 69 5.052 -8.125 -3.960 439 HD22 LEU 69 2HD2 LEU 69 4.544 -9.219 -2.672 440 HD23 LEU 69 3HD2 LEU 69 3.366 -8.628 -3.843 441 H HIS 70 HN HIS 70 5.258 -7.003 -8.307 442 HA HIS 70 HA HIS 70 4.942 -6.615 -10.501 443 HB2 HIS 70 3HB HIS 70 6.575 -9.135 -10.836 444 HB3 HIS 70 2HB HIS 70 6.224 -7.978 -12.115 445 HD1 HIS 70 1HD HIS 70 7.502 -5.708 -12.035 446 HD2 HIS 70 2HD HIS 70 8.563 -8.388 -9.040 447 HE1 HIS 70 1HE HIS 70 9.608 -4.788 -11.014 448 HE2 HIS 70 2HE HIS 70 10.198 -6.392 -9.165 449 H HIS 71 HN HIS 71 4.961 -10.116 -10.985 450 HA HIS 71 HA HIS 71 2.053 -10.063 -11.351 451 HB2 HIS 71 3HB HIS 71 4.052 -11.104 -13.369 452 HB3 HIS 71 2HB HIS 71 2.334 -11.479 -13.418 453 HD1 HIS 71 1HD HIS 71 4.752 -9.084 -14.625 454 HD2 HIS 71 2HD HIS 71 0.701 -9.027 -13.703 455 HE1 HIS 71 1HE HIS 71 3.831 -7.038 -15.757 456 HE2 HIS 71 2HE HIS 71 1.400 -6.965 -15.100 457 H HIS 72 HN HIS 72 3.814 -11.053 -9.283 458 HA HIS 72 HA HIS 72 3.996 -12.808 -7.873 459 HB2 HIS 72 3HB HIS 72 1.500 -12.870 -8.236 460 HB3 HIS 72 2HB HIS 72 1.771 -14.107 -9.457 461 HD1 HIS 72 1HD HIS 72 1.851 -13.545 -5.753 462 HD2 HIS 72 2HD HIS 72 2.360 -16.659 -8.463 463 HE1 HIS 72 1HE HIS 72 1.895 -15.647 -4.372 464 HE2 HIS 72 2HE HIS 72 2.111 -17.526 -6.038 465 H HIS 73 HN HIS 73 6.039 -12.965 -9.244 466 HA HIS 73 HA HIS 73 6.263 -15.792 -9.998 467 HB2 HIS 73 3HB HIS 73 7.473 -13.451 -11.475 468 HB3 HIS 73 2HB HIS 73 8.033 -15.104 -11.674 469 HD1 HIS 73 1HD HIS 73 5.798 -12.744 -13.142 470 HD2 HIS 73 2HD HIS 73 5.752 -16.857 -12.553 471 HE1 HIS 73 1HE HIS 73 4.120 -13.643 -14.786 472 HE2 HIS 73 2HE HIS 73 4.247 -16.145 -14.530 473 H HIS 74 HN HIS 74 7.494 -16.698 -8.509 474 HA HIS 74 HA HIS 74 9.390 -15.185 -6.974 475 HB2 HIS 74 3HB HIS 74 8.083 -17.060 -5.997 476 HB3 HIS 74 2HB HIS 74 8.928 -18.180 -7.057 477 HD1 HIS 74 1HD HIS 74 9.267 -16.312 -3.880 478 HD2 HIS 74 2HD HIS 74 11.667 -18.618 -6.367 479 HE1 HIS 74 1HE HIS 74 11.302 -16.878 -2.521 480 HE2 HIS 74 2HE HIS 74 12.815 -18.111 -4.109 481 H HIS 75 HN HIS 75 11.316 -14.642 -7.756 482 HA HIS 75 HA HIS 75 12.952 -16.659 -9.030 483 HB2 HIS 75 3HB HIS 75 13.512 -15.313 -10.994 484 HB3 HIS 75 2HB HIS 75 11.793 -15.675 -10.960 485 HD1 HIS 75 1HD HIS 75 14.123 -12.947 -11.385 486 HD2 HIS 75 2HD HIS 75 10.217 -13.341 -10.023 487 HE1 HIS 75 1HE HIS 75 13.127 -10.648 -11.521 488 HE2 HIS 75 2HE HIS 75 10.832 -10.875 -10.512 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -19.828 2.437 -17.531 2 H2 MET 1 2HT MET 1 -20.760 1.449 -16.528 3 H3 MET 1 3HT MET 1 -20.768 1.197 -18.198 4 HA MET 1 HA MET 1 -19.435 -0.461 -17.112 5 HB2 MET 1 3HB MET 1 -17.882 1.586 -18.701 6 HB3 MET 1 2HB MET 1 -17.265 -0.011 -18.306 7 HG2 MET 1 3HG MET 1 -19.737 0.567 -19.920 8 HG3 MET 1 2HG MET 1 -18.170 0.083 -20.566 9 HE1 MET 1 1HE MET 1 -21.019 -1.392 -21.119 10 HE2 MET 1 2HE MET 1 -20.488 -3.072 -21.082 11 HE3 MET 1 3HE MET 1 -19.499 -1.854 -21.886 12 H CYS 2 HN CYS 2 -18.100 -1.023 -15.498 13 HA CYS 2 HA CYS 2 -16.494 1.021 -14.178 14 HB2 CYS 2 3HB CYS 2 -18.806 0.895 -13.105 15 HB3 CYS 2 2HB CYS 2 -18.381 -0.734 -12.598 16 HG CYS 2 HG CYS 2 -18.144 1.084 -10.445 17 H GLU 3 HN GLU 3 -15.620 -0.397 -12.041 18 HA GLU 3 HA GLU 3 -14.339 -2.092 -11.267 19 HB2 GLU 3 3HB GLU 3 -15.456 -3.665 -13.591 20 HB3 GLU 3 2HB GLU 3 -14.470 -4.337 -12.301 21 HG2 GLU 3 3HG GLU 3 -16.202 -3.646 -10.677 22 HG3 GLU 3 2HG GLU 3 -17.201 -3.105 -12.025 23 H PHE 4 HN PHE 4 -12.445 -3.486 -11.858 24 HA PHE 4 HA PHE 4 -10.895 -2.195 -14.036 25 HB2 PHE 4 3HB PHE 4 -9.846 -3.268 -11.379 26 HB3 PHE 4 2HB PHE 4 -8.882 -2.526 -12.645 27 HD1 PHE 4 1HD PHE 4 -8.697 -0.186 -12.842 28 HD2 PHE 4 2HD PHE 4 -11.451 -1.878 -10.077 29 HE1 PHE 4 1HE PHE 4 -9.017 2.026 -11.814 30 HE2 PHE 4 2HE PHE 4 -11.779 0.332 -9.045 31 HZ PHE 4 HZ PHE 4 -10.561 2.287 -9.915 32 H ILE 5 HN ILE 5 -10.385 -3.620 -15.601 33 HA ILE 5 HA ILE 5 -10.739 -6.435 -15.185 34 HB ILE 5 HB ILE 5 -10.986 -5.165 -17.446 35 HG12 ILE 5 3HG1 ILE 5 -9.565 -7.826 -17.331 36 HG13 ILE 5 2HG1 ILE 5 -11.291 -7.592 -17.075 37 HG21 ILE 5 1HG2 ILE 5 -8.024 -5.742 -17.447 38 HG22 ILE 5 2HG2 ILE 5 -8.811 -4.192 -17.742 39 HG23 ILE 5 3HG2 ILE 5 -8.963 -5.494 -18.913 40 HD11 ILE 5 1HD1 ILE 5 -11.509 -6.776 -19.371 41 HD12 ILE 5 2HD1 ILE 5 -10.848 -8.409 -19.309 42 HD13 ILE 5 3HD1 ILE 5 -9.784 -7.038 -19.620 43 H GLU 6 HN GLU 6 -8.590 -4.846 -13.681 44 HA GLU 6 HA GLU 6 -6.338 -4.891 -13.135 45 HB2 GLU 6 3HB GLU 6 -7.021 -7.781 -13.558 46 HB3 GLU 6 2HB GLU 6 -5.384 -7.289 -13.160 47 HG2 GLU 6 3HG GLU 6 -6.481 -7.933 -11.149 48 HG3 GLU 6 2HG GLU 6 -6.269 -6.184 -11.122 49 H ASP 7 HN ASP 7 -6.334 -3.821 -15.424 50 HA ASP 7 HA ASP 7 -5.130 -5.274 -17.553 51 HB2 ASP 7 3HB ASP 7 -6.553 -3.268 -17.904 52 HB3 ASP 7 2HB ASP 7 -5.285 -2.277 -17.195 53 H SER 8 HN SER 8 -3.902 -3.683 -14.787 54 HA SER 8 HA SER 8 -1.268 -3.173 -15.739 55 HB2 SER 8 3HB SER 8 -2.151 -3.645 -12.880 56 HB3 SER 8 2HB SER 8 -0.693 -2.812 -13.413 57 HG SER 8 HG SER 8 -2.600 -1.549 -14.613 58 H GLU 9 HN GLU 9 -2.946 -5.958 -14.597 59 HA GLU 9 HA GLU 9 -0.556 -7.423 -13.887 60 HB2 GLU 9 3HB GLU 9 -2.680 -7.644 -12.620 61 HB3 GLU 9 2HB GLU 9 -3.425 -8.355 -14.041 62 HG2 GLU 9 3HG GLU 9 -1.968 -10.251 -13.928 63 HG3 GLU 9 2HG GLU 9 -1.041 -9.511 -12.623 64 H ASP 10 HN ASP 10 -3.137 -7.717 -16.333 65 HA ASP 10 HA ASP 10 -1.853 -9.990 -17.529 66 HB2 ASP 10 3HB ASP 10 -4.338 -9.661 -17.492 67 HB3 ASP 10 2HB ASP 10 -4.130 -8.363 -18.664 68 H ILE 11 HN ILE 11 0.094 -9.494 -18.337 69 HA ILE 11 HA ILE 11 0.503 -7.156 -19.986 70 HB ILE 11 HB ILE 11 2.416 -9.435 -19.452 71 HG12 ILE 11 3HG1 ILE 11 1.699 -8.416 -17.343 72 HG13 ILE 11 2HG1 ILE 11 3.374 -8.006 -17.690 73 HG21 ILE 11 1HG2 ILE 11 3.036 -8.063 -21.369 74 HG22 ILE 11 2HG2 ILE 11 4.153 -7.807 -20.029 75 HG23 ILE 11 3HG2 ILE 11 2.910 -6.607 -20.382 76 HD11 ILE 11 1HD1 ILE 11 2.185 -6.094 -16.812 77 HD12 ILE 11 2HD1 ILE 11 0.984 -6.221 -18.097 78 HD13 ILE 11 3HD1 ILE 11 2.653 -5.805 -18.488 79 H GLN 12 HN GLN 12 -0.363 -10.453 -20.441 80 HA GLN 12 HA GLN 12 0.593 -10.887 -23.031 81 HB2 GLN 12 3HB GLN 12 -0.216 -12.642 -21.494 82 HB3 GLN 12 2HB GLN 12 -1.851 -12.016 -21.660 83 HG2 GLN 12 3HG GLN 12 -1.837 -12.536 -24.003 84 HG3 GLN 12 2HG GLN 12 -0.178 -13.105 -23.886 85 HE21 GLN 12 1HE2 GLN 12 0.248 -15.056 -22.822 86 HE22 GLN 12 2HE2 GLN 12 -0.995 -16.220 -22.517 87 H GLY 13 HN GLY 13 -2.537 -9.698 -21.828 88 HA2 GLY 13 2HA GLY 13 -3.659 -9.291 -24.413 89 HA3 GLY 13 1HA GLY 13 -4.268 -8.640 -22.901 90 H LEU 14 HN LEU 14 -1.504 -7.444 -22.473 91 HA LEU 14 HA LEU 14 -1.962 -4.870 -23.470 92 HB2 LEU 14 3HB LEU 14 -0.451 -5.509 -21.560 93 HB3 LEU 14 2HB LEU 14 0.711 -6.081 -22.734 94 HG LEU 14 HG LEU 14 1.092 -3.778 -21.681 95 HD11 LEU 14 1HD1 LEU 14 1.100 -4.050 -24.681 96 HD12 LEU 14 2HD1 LEU 14 2.380 -4.553 -23.575 97 HD13 LEU 14 3HD1 LEU 14 1.992 -2.841 -23.754 98 HD21 LEU 14 1HD2 LEU 14 -1.207 -2.966 -21.937 99 HD22 LEU 14 2HD2 LEU 14 -1.014 -3.000 -23.690 100 HD23 LEU 14 3HD2 LEU 14 -0.036 -1.904 -22.715 101 H LYS 15 HN LYS 15 -0.355 -7.649 -24.806 102 HA LYS 15 HA LYS 15 0.908 -6.382 -27.011 103 HB2 LYS 15 3HB LYS 15 1.476 -8.688 -26.302 104 HB3 LYS 15 2HB LYS 15 -0.109 -9.236 -26.834 105 HG2 LYS 15 3HG LYS 15 0.475 -8.516 -29.131 106 HG3 LYS 15 2HG LYS 15 2.094 -8.127 -28.554 107 HD2 LYS 15 3HD LYS 15 0.853 -10.862 -28.297 108 HD3 LYS 15 2HD LYS 15 1.838 -10.374 -29.673 109 HE2 LYS 15 3HE LYS 15 3.342 -11.479 -28.280 110 HE3 LYS 15 2HE LYS 15 3.624 -9.777 -27.929 111 HZ1 LYS 15 1HZ LYS 15 1.890 -11.543 -26.291 112 HZ2 LYS 15 2HZ LYS 15 2.384 -9.969 -25.916 113 HZ3 LYS 15 3HZ LYS 15 3.511 -11.221 -25.944 114 H SER 16 HN SER 16 -2.345 -7.497 -26.432 115 HA SER 16 HA SER 16 -3.179 -7.218 -29.179 116 HB2 SER 16 3HB SER 16 -4.208 -8.890 -27.639 117 HB3 SER 16 2HB SER 16 -4.871 -7.563 -26.688 118 HG SER 16 HG SER 16 -6.495 -7.823 -28.010 119 H LEU 17 HN LEU 17 -2.868 -5.220 -26.419 120 HA LEU 17 HA LEU 17 -4.742 -3.206 -27.316 121 HB2 LEU 17 3HB LEU 17 -2.664 -3.121 -25.124 122 HB3 LEU 17 2HB LEU 17 -3.873 -1.888 -25.418 123 HG LEU 17 HG LEU 17 -4.421 -4.728 -24.553 124 HD11 LEU 17 1HD1 LEU 17 -4.672 -2.115 -23.073 125 HD12 LEU 17 2HD1 LEU 17 -3.443 -3.350 -22.794 126 HD13 LEU 17 3HD1 LEU 17 -5.140 -3.703 -22.461 127 HD21 LEU 17 1HD2 LEU 17 -6.301 -2.419 -25.030 128 HD22 LEU 17 2HD2 LEU 17 -6.744 -3.960 -24.295 129 HD23 LEU 17 3HD2 LEU 17 -6.207 -3.906 -25.972 130 H ARG 18 HN ARG 18 -1.772 -4.164 -28.299 131 HA ARG 18 HA ARG 18 -0.521 -1.604 -28.699 132 HB2 ARG 18 3HB ARG 18 0.152 -4.357 -29.748 133 HB3 ARG 18 2HB ARG 18 1.139 -2.928 -30.009 134 HG2 ARG 18 3HG ARG 18 1.521 -2.723 -27.626 135 HG3 ARG 18 2HG ARG 18 0.467 -4.103 -27.321 136 HD2 ARG 18 3HD ARG 18 2.771 -4.805 -27.230 137 HD3 ARG 18 2HD ARG 18 1.990 -5.520 -28.639 138 HE ARG 18 HE ARG 18 3.096 -3.328 -29.693 139 HH11 ARG 18 1HH1 ARG 18 4.380 -5.816 -27.604 140 HH12 ARG 18 2HH1 ARG 18 6.006 -5.629 -28.168 141 HH21 ARG 18 1HH2 ARG 18 5.230 -3.078 -30.449 142 HH22 ARG 18 2HH2 ARG 18 6.493 -4.067 -29.793 143 H LYS 19 HN LYS 19 -2.919 -1.288 -29.727 144 HA LYS 19 HA LYS 19 -2.974 -1.980 -32.539 145 HB2 LYS 19 3HB LYS 19 -5.040 -2.048 -31.189 146 HB3 LYS 19 2HB LYS 19 -4.904 -0.323 -30.892 147 HG2 LYS 19 3HG LYS 19 -6.552 -0.815 -32.614 148 HG3 LYS 19 2HG LYS 19 -5.212 0.134 -33.255 149 HD2 LYS 19 3HD LYS 19 -5.811 -1.598 -34.830 150 HD3 LYS 19 2HD LYS 19 -4.218 -1.938 -34.158 151 HE2 LYS 19 3HE LYS 19 -5.235 -3.544 -32.601 152 HE3 LYS 19 2HE LYS 19 -6.817 -3.210 -33.302 153 HZ1 LYS 19 1HZ LYS 19 -6.012 -4.045 -35.423 154 HZ2 LYS 19 2HZ LYS 19 -5.851 -5.221 -34.219 155 HZ3 LYS 19 3HZ LYS 19 -4.493 -4.364 -34.746 156 H SER 20 HN SER 20 -2.111 0.720 -30.546 157 HA SER 20 HA SER 20 -0.837 2.042 -32.698 158 HB2 SER 20 3HB SER 20 -2.226 4.154 -32.608 159 HB3 SER 20 2HB SER 20 -3.034 2.777 -33.358 160 HG SER 20 HG SER 20 -4.537 3.035 -31.926 161 H HIS 21 HN HIS 21 -2.484 3.835 -30.144 162 HA HIS 21 HA HIS 21 0.111 4.137 -28.772 163 HB2 HIS 21 3HB HIS 21 -0.655 6.301 -27.969 164 HB3 HIS 21 2HB HIS 21 -0.772 6.243 -29.722 165 HD1 HIS 21 1HD HIS 21 -2.727 6.956 -26.717 166 HD2 HIS 21 2HD HIS 21 -3.511 5.894 -30.661 167 HE1 HIS 21 1HE HIS 21 -5.157 7.476 -27.091 168 HE2 HIS 21 2HE HIS 21 -5.643 6.664 -29.426 169 H THR 22 HN THR 22 -2.983 2.840 -28.583 170 HA THR 22 HA THR 22 -3.605 3.199 -25.830 171 HB THR 22 HB THR 22 -4.847 0.855 -26.528 172 HG1 THR 22 1HG THR 22 -5.489 1.609 -28.823 173 HG21 THR 22 1HG2 THR 22 -5.908 2.885 -25.647 174 HG22 THR 22 2HG2 THR 22 -6.768 2.282 -27.062 175 HG23 THR 22 3HG2 THR 22 -5.697 3.677 -27.208 176 H SER 23 HN SER 23 -0.815 1.826 -26.578 177 HA SER 23 HA SER 23 -1.015 -0.173 -24.452 178 HB2 SER 23 3HB SER 23 0.665 -1.531 -25.752 179 HB3 SER 23 2HB SER 23 -0.929 -1.442 -26.502 180 HG SER 23 HG SER 23 1.495 -0.343 -27.321 181 H LEU 24 HN LEU 24 0.045 2.703 -25.144 182 HA LEU 24 HA LEU 24 2.711 2.321 -23.970 183 HB2 LEU 24 3HB LEU 24 1.983 4.187 -26.230 184 HB3 LEU 24 2HB LEU 24 3.529 4.171 -25.406 185 HG LEU 24 HG LEU 24 2.407 1.853 -26.978 186 HD11 LEU 24 1HD1 LEU 24 2.901 3.710 -28.452 187 HD12 LEU 24 2HD1 LEU 24 4.104 2.437 -28.651 188 HD13 LEU 24 3HD1 LEU 24 4.499 3.887 -27.730 189 HD21 LEU 24 1HD2 LEU 24 4.693 0.979 -26.797 190 HD22 LEU 24 2HD2 LEU 24 3.922 1.152 -25.223 191 HD23 LEU 24 3HD2 LEU 24 5.119 2.333 -25.754 192 H GLU 25 HN GLU 25 0.172 4.701 -24.700 193 HA GLU 25 HA GLU 25 0.127 5.700 -22.060 194 HB2 GLU 25 3HB GLU 25 2.244 6.744 -22.718 195 HB3 GLU 25 2HB GLU 25 1.464 7.464 -24.121 196 HG2 GLU 25 3HG GLU 25 -0.032 8.709 -22.596 197 HG3 GLU 25 2HG GLU 25 0.872 8.058 -21.232 198 H ASP 26 HN ASP 26 -2.011 5.876 -21.980 199 HA ASP 26 HA ASP 26 -3.153 8.040 -23.516 200 HB2 ASP 26 3HB ASP 26 -5.154 6.842 -24.120 201 HB3 ASP 26 2HB ASP 26 -3.762 6.038 -24.803 202 H ASP 27 HN ASP 27 -4.774 9.092 -22.501 203 HA ASP 27 HA ASP 27 -4.899 8.613 -19.624 204 HB2 ASP 27 3HB ASP 27 -5.554 10.979 -21.347 205 HB3 ASP 27 2HB ASP 27 -6.175 10.877 -19.703 206 H ASP 28 HN ASP 28 -6.535 7.569 -22.155 207 HA ASP 28 HA ASP 28 -9.228 7.939 -21.202 208 HB2 ASP 28 3HB ASP 28 -8.781 7.842 -23.613 209 HB3 ASP 28 2HB ASP 28 -8.147 6.212 -23.429 210 H ASP 29 HN ASP 29 -7.219 5.165 -21.874 211 HA ASP 29 HA ASP 29 -7.058 3.081 -20.981 212 HB2 ASP 29 3HB ASP 29 -6.065 4.579 -19.214 213 HB3 ASP 29 2HB ASP 29 -7.601 4.471 -18.360 214 H GLY 30 HN GLY 30 -9.105 2.519 -22.054 215 HA2 GLY 30 2HA GLY 30 -11.583 2.564 -20.685 216 HA3 GLY 30 1HA GLY 30 -11.203 1.588 -22.093 217 H SER 31 HN SER 31 -8.931 0.309 -20.634 218 HA SER 31 HA SER 31 -10.559 -1.718 -19.299 219 HB2 SER 31 3HB SER 31 -7.665 -1.789 -20.188 220 HB3 SER 31 2HB SER 31 -8.572 -3.152 -19.536 221 HG SER 31 HG SER 31 -9.184 -1.725 -21.916 222 H ARG 32 HN ARG 32 -9.572 0.938 -18.200 223 HA ARG 32 HA ARG 32 -8.242 1.808 -16.502 224 HB2 ARG 32 3HB ARG 32 -10.459 0.136 -15.429 225 HB3 ARG 32 2HB ARG 32 -9.368 0.929 -14.304 226 HG2 ARG 32 3HG ARG 32 -11.041 2.274 -16.413 227 HG3 ARG 32 2HG ARG 32 -11.323 2.292 -14.671 228 HD2 ARG 32 3HD ARG 32 -9.062 3.562 -16.200 229 HD3 ARG 32 2HD ARG 32 -10.286 4.355 -15.212 230 HE ARG 32 HE ARG 32 -9.003 2.721 -13.458 231 HH11 ARG 32 1HH1 ARG 32 -7.973 5.206 -15.676 232 HH12 ARG 32 2HH1 ARG 32 -6.568 5.636 -14.759 233 HH21 ARG 32 1HH2 ARG 32 -7.144 3.285 -12.221 234 HH22 ARG 32 2HH2 ARG 32 -6.103 4.550 -12.791 235 H GLY 33 HN GLY 33 -6.142 1.200 -16.482 236 HA2 GLY 33 2HA GLY 33 -5.000 0.010 -14.347 237 HA3 GLY 33 1HA GLY 33 -5.335 -1.360 -15.393 238 H GLY 34 HN GLY 34 -4.645 1.654 -16.932 239 HA2 GLY 34 2HA GLY 34 -2.090 0.556 -17.850 240 HA3 GLY 34 1HA GLY 34 -2.952 1.913 -18.557 241 H ASP 35 HN ASP 35 -2.889 2.105 -15.227 242 HA ASP 35 HA ASP 35 -0.435 3.669 -15.131 243 HB2 ASP 35 3HB ASP 35 -2.059 5.343 -15.742 244 HB3 ASP 35 2HB ASP 35 -3.189 4.776 -14.521 245 H CYS 36 HN CYS 36 0.190 4.196 -12.858 246 HA CYS 36 HA CYS 36 -1.051 2.375 -10.911 247 HB2 CYS 36 3HB CYS 36 1.298 2.150 -9.953 248 HB3 CYS 36 2HB CYS 36 1.006 1.333 -11.483 249 HG CYS 36 HG CYS 36 2.462 4.420 -11.331 250 H GLU 37 HN GLU 37 -2.177 3.783 -9.718 251 HA GLU 37 HA GLU 37 -0.733 5.939 -8.403 252 HB2 GLU 37 3HB GLU 37 -1.742 6.902 -10.474 253 HB3 GLU 37 2HB GLU 37 -3.323 6.409 -9.890 254 HG2 GLU 37 3HG GLU 37 -3.059 7.864 -7.945 255 HG3 GLU 37 2HG GLU 37 -1.483 8.371 -8.547 256 H GLY 38 HN GLY 38 -1.211 3.879 -7.011 257 HA2 GLY 38 2HA GLY 38 -3.828 3.834 -5.799 258 HA3 GLY 38 1HA GLY 38 -2.397 3.001 -5.208 259 H CYS 39 HN CYS 39 -1.813 3.677 -3.233 260 HA CYS 39 HA CYS 39 -1.976 6.569 -2.713 261 HB2 CYS 39 3HB CYS 39 -2.201 5.880 -0.265 262 HB3 CYS 39 2HB CYS 39 -3.603 5.599 -1.290 263 H SER 40 HN SER 40 0.200 5.998 -3.911 264 HA SER 40 HA SER 40 2.212 4.611 -2.487 265 HB2 SER 40 3HB SER 40 3.701 5.774 -4.225 266 HB3 SER 40 2HB SER 40 2.443 4.685 -4.796 267 HG SER 40 HG SER 40 2.783 7.221 -5.435 268 H GLY 41 HN GLY 41 1.140 7.884 -2.579 269 HA2 GLY 41 2HA GLY 41 3.398 8.935 -1.079 270 HA3 GLY 41 1HA GLY 41 1.868 9.763 -1.299 271 H THR 42 HN THR 42 1.669 6.554 -0.124 272 HA THR 42 HA THR 42 1.419 7.568 2.639 273 HB THR 42 HB THR 42 -0.055 5.199 1.465 274 HG1 THR 42 1HG THR 42 -0.573 7.600 0.865 275 HG21 THR 42 1HG2 THR 42 0.316 5.071 3.883 276 HG22 THR 42 2HG2 THR 42 -1.389 5.335 3.519 277 HG23 THR 42 3HG2 THR 42 -0.388 6.674 4.081 278 H ALA 43 HN ALA 43 3.199 6.960 3.684 279 HA ALA 43 HA ALA 43 4.688 4.611 2.930 280 HB1 ALA 43 1HB ALA 43 6.197 5.236 4.743 281 HB2 ALA 43 2HB ALA 43 5.046 6.445 5.312 282 HB3 ALA 43 3HB ALA 43 5.826 6.640 3.743 283 H CYS 44 HN CYS 44 4.401 2.709 3.565 284 HA CYS 44 HA CYS 44 2.744 2.129 5.936 285 HB2 CYS 44 3HB CYS 44 2.544 -0.116 4.802 286 HB3 CYS 44 2HB CYS 44 1.787 1.230 3.954 287 H SER 45 HN SER 45 3.833 1.398 7.657 288 HA SER 45 HA SER 45 6.311 -0.090 7.194 289 HB2 SER 45 3HB SER 45 5.017 0.332 9.911 290 HB3 SER 45 2HB SER 45 6.698 -0.036 9.539 291 HG SER 45 HG SER 45 5.592 2.320 8.503 292 H SER 46 HN SER 46 2.947 -0.527 7.787 293 HA SER 46 HA SER 46 3.390 -3.424 8.012 294 HB2 SER 46 3HB SER 46 1.014 -3.451 8.927 295 HB3 SER 46 2HB SER 46 2.223 -2.699 9.967 296 HG SER 46 HG SER 46 1.517 -0.666 9.195 297 H ASP 47 HN ASP 47 2.451 -4.743 6.511 298 HA ASP 47 HA ASP 47 1.509 -3.657 4.102 299 HB2 ASP 47 3HB ASP 47 2.697 -5.853 4.394 300 HB3 ASP 47 2HB ASP 47 1.195 -6.507 5.039 301 H ALA 48 HN ALA 48 -0.229 -4.676 7.003 302 HA ALA 48 HA ALA 48 -2.553 -5.406 5.773 303 HB1 ALA 48 1HB ALA 48 -2.136 -4.421 8.578 304 HB2 ALA 48 2HB ALA 48 -2.000 -6.092 8.030 305 HB3 ALA 48 3HB ALA 48 -3.563 -5.276 7.994 306 H GLN 49 HN GLN 49 -1.306 -2.268 6.646 307 HA GLN 49 HA GLN 49 -3.870 -1.005 6.688 308 HB2 GLN 49 3HB GLN 49 -2.670 1.090 6.901 309 HB3 GLN 49 2HB GLN 49 -1.999 -0.097 8.005 310 HG2 GLN 49 3HG GLN 49 -0.113 -0.444 6.531 311 HG3 GLN 49 2HG GLN 49 -0.808 0.669 5.353 312 HE21 GLN 49 1HE2 GLN 49 -0.979 1.210 8.795 313 HE22 GLN 49 2HE2 GLN 49 0.097 2.564 8.830 314 H CYS 50 HN CYS 50 -1.656 -2.002 4.329 315 HA CYS 50 HA CYS 50 -2.568 -0.100 2.339 316 HB2 CYS 50 3HB CYS 50 -0.655 -2.436 2.100 317 HB3 CYS 50 2HB CYS 50 -1.329 -1.625 0.705 318 H ARG 51 HN ARG 51 -3.217 -3.406 3.238 319 HA ARG 51 HA ARG 51 -5.128 -3.784 1.150 320 HB2 ARG 51 3HB ARG 51 -4.830 -5.191 3.802 321 HB3 ARG 51 2HB ARG 51 -5.899 -5.690 2.513 322 HG2 ARG 51 3HG ARG 51 -4.236 -6.985 1.816 323 HG3 ARG 51 2HG ARG 51 -3.452 -5.499 1.268 324 HD2 ARG 51 3HD ARG 51 -1.893 -6.663 2.635 325 HD3 ARG 51 2HD ARG 51 -2.488 -5.261 3.544 326 HE ARG 51 HE ARG 51 -4.163 -7.171 4.377 327 HH11 ARG 51 1HH1 ARG 51 -0.676 -7.230 4.085 328 HH12 ARG 51 2HH1 ARG 51 -0.471 -8.312 5.432 329 HH21 ARG 51 1HH2 ARG 51 -3.889 -8.600 6.107 330 HH22 ARG 51 2HH2 ARG 51 -2.292 -9.094 6.578 331 H ALA 52 HN ALA 52 -5.098 -2.572 4.418 332 HA ALA 52 HA ALA 52 -7.910 -2.337 4.744 333 HB1 ALA 52 1HB ALA 52 -7.406 -0.949 6.654 334 HB2 ALA 52 2HB ALA 52 -5.745 -0.737 6.103 335 HB3 ALA 52 3HB ALA 52 -6.303 -2.325 6.629 336 H ARG 53 HN ARG 53 -5.435 -0.386 3.254 337 HA ARG 53 HA ARG 53 -7.217 1.873 2.961 338 HB2 ARG 53 3HB ARG 53 -4.454 1.381 1.901 339 HB3 ARG 53 2HB ARG 53 -5.407 2.776 1.416 340 HG2 ARG 53 3HG ARG 53 -4.552 2.106 4.224 341 HG3 ARG 53 2HG ARG 53 -3.873 3.366 3.191 342 HD2 ARG 53 3HD ARG 53 -6.073 4.474 3.136 343 HD3 ARG 53 2HD ARG 53 -6.710 3.233 4.212 344 HE ARG 53 HE ARG 53 -4.458 4.926 5.058 345 HH11 ARG 53 1HH1 ARG 53 -7.730 3.754 5.519 346 HH12 ARG 53 2HH1 ARG 53 -7.908 4.502 7.073 347 HH21 ARG 53 1HH2 ARG 53 -4.703 5.905 7.101 348 HH22 ARG 53 2HH2 ARG 53 -6.188 5.713 7.976 349 H GLY 54 HN GLY 54 -7.281 -1.013 1.575 350 HA2 GLY 54 2HA GLY 54 -8.392 -1.805 -0.277 351 HA3 GLY 54 1HA GLY 54 -8.910 -0.155 -0.600 352 H CYS 55 HN CYS 55 -5.856 0.385 -0.386 353 HA CYS 55 HA CYS 55 -5.315 0.615 -3.094 354 HB2 CYS 55 3HB CYS 55 -3.473 0.650 -0.716 355 HB3 CYS 55 2HB CYS 55 -2.865 0.836 -2.360 356 H ASP 56 HN ASP 56 -3.404 -1.741 -1.106 357 HA ASP 56 HA ASP 56 -4.162 -4.041 -2.407 358 HB2 ASP 56 3HB ASP 56 -3.406 -3.219 -4.540 359 HB3 ASP 56 2HB ASP 56 -1.882 -2.660 -3.857 360 H GLY 57 HN GLY 57 -0.960 -2.463 -1.825 361 HA2 GLY 57 2HA GLY 57 -0.444 -4.253 0.361 362 HA3 GLY 57 1HA GLY 57 0.381 -4.736 -1.109 363 H CYS 58 HN CYS 58 1.464 -3.909 1.400 364 HA CYS 58 HA CYS 58 2.760 -1.380 0.876 365 HB2 CYS 58 3HB CYS 58 2.260 -2.189 3.185 366 HB3 CYS 58 2HB CYS 58 3.426 -3.490 2.942 367 H SER 59 HN SER 59 4.759 -1.116 -0.043 368 HA SER 59 HA SER 59 5.950 -3.604 -1.058 369 HB2 SER 59 3HB SER 59 6.347 -0.753 -1.993 370 HB3 SER 59 2HB SER 59 7.103 -2.177 -2.712 371 HG SER 59 HG SER 59 4.316 -1.705 -2.502 372 H THR 60 HN THR 60 8.377 -3.721 -1.134 373 HA THR 60 HA THR 60 9.524 -3.688 1.338 374 HB THR 60 HB THR 60 11.442 -2.904 -0.816 375 HG1 THR 60 1HG THR 60 10.353 -5.510 -0.876 376 HG21 THR 60 1HG2 THR 60 12.652 -4.814 0.098 377 HG22 THR 60 2HG2 THR 60 11.288 -5.194 1.149 378 HG23 THR 60 3HG2 THR 60 12.187 -3.693 1.378 379 H SER 61 HN SER 61 9.344 -0.766 -0.707 380 HA SER 61 HA SER 61 11.191 0.595 1.052 381 HB2 SER 61 3HB SER 61 9.817 1.565 -1.455 382 HB3 SER 61 2HB SER 61 11.098 2.409 -0.588 383 HG SER 61 HG SER 61 11.230 0.173 -2.240 384 H GLY 62 HN GLY 62 8.432 -0.177 1.918 385 HA2 GLY 62 2HA GLY 62 6.844 0.715 3.293 386 HA3 GLY 62 1HA GLY 62 7.961 2.044 3.537 387 H VAL 63 HN VAL 63 6.369 1.101 0.515 388 HA VAL 63 HA VAL 63 4.818 3.597 0.688 389 HB VAL 63 HB VAL 63 4.914 3.805 -1.760 390 HG11 VAL 63 1HG1 VAL 63 6.480 5.050 -0.378 391 HG12 VAL 63 2HG1 VAL 63 7.226 4.589 -1.910 392 HG13 VAL 63 3HG1 VAL 63 7.616 3.703 -0.433 393 HG21 VAL 63 1HG2 VAL 63 6.522 2.511 -3.063 394 HG22 VAL 63 2HG2 VAL 63 5.314 1.457 -2.327 395 HG23 VAL 63 3HG2 VAL 63 6.931 1.567 -1.633 396 H CYS 64 HN CYS 64 2.729 3.559 -0.433 397 HA CYS 64 HA CYS 64 1.637 0.833 -0.057 398 HB2 CYS 64 3HB CYS 64 0.942 2.866 1.445 399 HB3 CYS 64 2HB CYS 64 -0.040 3.323 0.059 400 H VAL 65 HN VAL 65 1.213 -0.143 -1.946 401 HA VAL 65 HA VAL 65 0.109 1.371 -4.190 402 HB VAL 65 HB VAL 65 1.940 0.920 -5.704 403 HG11 VAL 65 1HG1 VAL 65 3.083 1.942 -3.138 404 HG12 VAL 65 2HG1 VAL 65 2.155 2.896 -4.293 405 HG13 VAL 65 3HG1 VAL 65 3.721 2.228 -4.757 406 HG21 VAL 65 1HG2 VAL 65 2.619 -1.265 -4.846 407 HG22 VAL 65 2HG2 VAL 65 3.297 -0.491 -3.415 408 HG23 VAL 65 3HG2 VAL 65 4.003 -0.184 -5.000 409 H LEU 66 HN LEU 66 0.150 -0.310 -6.234 410 HA LEU 66 HA LEU 66 -0.610 -2.925 -5.439 411 HB2 LEU 66 3HB LEU 66 -0.413 -3.554 -7.758 412 HB3 LEU 66 2HB LEU 66 -1.189 -1.992 -7.657 413 HG LEU 66 HG LEU 66 1.736 -2.327 -8.331 414 HD11 LEU 66 1HD1 LEU 66 0.408 -3.504 -9.989 415 HD12 LEU 66 2HD1 LEU 66 1.077 -2.022 -10.670 416 HD13 LEU 66 3HD1 LEU 66 -0.620 -2.087 -10.197 417 HD21 LEU 66 1HD2 LEU 66 1.465 -0.077 -9.298 418 HD22 LEU 66 2HD2 LEU 66 1.153 -0.102 -7.564 419 HD23 LEU 66 3HD2 LEU 66 -0.193 -0.035 -8.700 420 H SER 67 HN SER 67 0.886 -3.611 -3.956 421 HA SER 67 HA SER 67 3.581 -3.235 -3.782 422 HB2 SER 67 3HB SER 67 3.557 -5.574 -2.626 423 HB3 SER 67 2HB SER 67 2.635 -4.247 -1.923 424 HG SER 67 HG SER 67 0.847 -5.184 -3.339 425 H SER 68 HN SER 68 4.915 -3.475 -5.691 426 HA SER 68 HA SER 68 5.181 -5.544 -7.402 427 HB2 SER 68 3HB SER 68 7.569 -4.417 -5.940 428 HB3 SER 68 2HB SER 68 7.475 -4.961 -7.615 429 HG SER 68 HG SER 68 6.218 -3.180 -8.108 430 H LEU 69 HN LEU 69 7.486 -5.644 -4.659 431 HA LEU 69 HA LEU 69 6.387 -8.219 -3.887 432 HB2 LEU 69 3HB LEU 69 8.762 -9.082 -3.570 433 HB3 LEU 69 2HB LEU 69 8.120 -9.050 -5.191 434 HG LEU 69 HG LEU 69 10.529 -8.428 -4.993 435 HD11 LEU 69 1HD1 LEU 69 8.708 -6.331 -6.143 436 HD12 LEU 69 2HD1 LEU 69 9.293 -7.782 -6.953 437 HD13 LEU 69 3HD1 LEU 69 10.424 -6.506 -6.506 438 HD21 LEU 69 1HD2 LEU 69 10.471 -7.177 -2.919 439 HD22 LEU 69 2HD2 LEU 69 9.467 -5.939 -3.674 440 HD23 LEU 69 3HD2 LEU 69 11.123 -6.189 -4.226 441 H HIS 70 HN HIS 70 7.464 -8.972 -1.781 442 HA HIS 70 HA HIS 70 7.648 -6.631 -0.024 443 HB2 HIS 70 3HB HIS 70 6.958 -9.520 0.533 444 HB3 HIS 70 2HB HIS 70 7.265 -8.349 1.811 445 HD1 HIS 70 1HD HIS 70 4.845 -8.998 -1.029 446 HD2 HIS 70 2HD HIS 70 5.137 -6.742 2.448 447 HE1 HIS 70 1HE HIS 70 2.593 -7.929 -0.725 448 HE2 HIS 70 2HE HIS 70 2.831 -6.454 1.306 449 H HIS 71 HN HIS 71 9.017 -9.914 -0.080 450 HA HIS 71 HA HIS 71 11.064 -10.733 0.409 451 HB2 HIS 71 3HB HIS 71 11.819 -8.172 -0.984 452 HB3 HIS 71 2HB HIS 71 13.022 -9.342 -0.459 453 HD1 HIS 71 1HD HIS 71 12.686 -8.686 -3.448 454 HD2 HIS 71 2HD HIS 71 10.780 -11.838 -1.520 455 HE1 HIS 71 1HE HIS 71 12.103 -10.332 -5.253 456 HE2 HIS 71 2HE HIS 71 11.102 -12.300 -4.044 457 H HIS 72 HN HIS 72 10.588 -10.567 2.683 458 HA HIS 72 HA HIS 72 12.583 -8.852 3.989 459 HB2 HIS 72 3HB HIS 72 9.736 -9.296 4.893 460 HB3 HIS 72 2HB HIS 72 10.995 -8.700 5.967 461 HD1 HIS 72 1HD HIS 72 8.364 -7.464 3.966 462 HD2 HIS 72 2HD HIS 72 12.286 -6.273 4.645 463 HE1 HIS 72 1HE HIS 72 8.469 -5.047 3.283 464 HE2 HIS 72 2HE HIS 72 10.786 -4.299 3.917 465 H HIS 73 HN HIS 73 13.303 -11.232 3.261 466 HA HIS 73 HA HIS 73 13.178 -12.873 5.706 467 HB2 HIS 73 3HB HIS 73 11.988 -13.968 3.864 468 HB3 HIS 73 2HB HIS 73 13.406 -13.809 2.836 469 HD1 HIS 73 1HD HIS 73 14.766 -15.861 2.692 470 HD2 HIS 73 2HD HIS 73 12.681 -15.645 6.284 471 HE1 HIS 73 1HE HIS 73 15.271 -18.007 3.900 472 HE2 HIS 73 2HE HIS 73 14.081 -17.812 6.110 473 H HIS 74 HN HIS 74 15.096 -11.442 3.211 474 HA HIS 74 HA HIS 74 17.528 -11.904 4.705 475 HB2 HIS 74 3HB HIS 74 17.373 -13.929 3.314 476 HB3 HIS 74 2HB HIS 74 17.198 -12.937 1.877 477 HD1 HIS 74 1HD HIS 74 19.290 -12.522 0.626 478 HD2 HIS 74 2HD HIS 74 20.011 -13.502 4.600 479 HE1 HIS 74 1HE HIS 74 21.787 -12.730 0.828 480 HE2 HIS 74 2HE HIS 74 22.169 -13.549 3.182 481 H HIS 75 HN HIS 75 16.760 -11.104 1.332 482 HA HIS 75 HA HIS 75 16.730 -8.319 1.697 483 HB2 HIS 75 3HB HIS 75 19.194 -8.666 1.976 484 HB3 HIS 75 2HB HIS 75 19.243 -9.334 0.347 485 HD1 HIS 75 1HD HIS 75 18.899 -7.671 -1.630 486 HD2 HIS 75 2HD HIS 75 18.990 -5.885 2.124 487 HE1 HIS 75 1HE HIS 75 19.169 -5.209 -2.060 488 HE2 HIS 75 2HE HIS 75 19.080 -4.136 0.219
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