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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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11575 |
1rq6 ![]() ![]() |
6028 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -24.571 8.279 -12.329 2 2H MET 1 2HT MET 1 -23.725 9.008 -13.609 3 3H MET 1 3HT MET 1 -24.067 9.893 -12.207 4 HA MET 1 HA MET 1 -22.630 8.550 -10.895 5 1HB MET 1 2HB MET 1 -21.320 6.743 -11.853 6 2HB MET 1 1HB MET 1 -23.030 6.433 -12.109 7 1HG MET 1 2HG MET 1 -22.858 7.119 -14.409 8 2HG MET 1 1HG MET 1 -21.178 7.595 -14.172 9 1HE MET 1 1HE MET 1 -23.710 4.595 -14.403 10 2HE MET 1 2HE MET 1 -23.057 4.424 -12.774 11 3HE MET 1 3HE MET 1 -22.669 3.227 -14.012 12 H GLY 2 H GLY 2 -20.158 8.521 -11.098 13 1HA GLY 2 2HA GLY 2 -19.263 10.549 -13.054 14 2HA GLY 2 1HA GLY 2 -18.753 10.600 -11.370 15 H ASN 3 H ASN 3 -16.562 10.416 -11.940 16 HA ASN 3 HA ASN 3 -15.675 8.049 -13.375 17 1HB ASN 3 2HB ASN 3 -14.151 10.309 -12.071 18 2HB ASN 3 1HB ASN 3 -13.387 8.973 -12.925 19 1HD2 ASN 3 1HD2 ASN 3 -15.249 11.887 -13.225 20 2HD2 ASN 3 2HD2 ASN 3 -15.091 12.047 -14.944 21 H ILE 4 H ILE 4 -14.297 6.443 -12.477 22 HA ILE 4 HA ILE 4 -15.062 5.647 -9.840 23 HB ILE 4 HB ILE 4 -12.898 4.469 -11.595 24 1HG1 ILE 4 2HG1 ILE 4 -15.799 3.654 -11.345 25 2HG1 ILE 4 1HG1 ILE 4 -15.142 4.577 -12.689 26 1HG2 ILE 4 1HG2 ILE 4 -14.452 3.291 -9.294 27 2HG2 ILE 4 2HG2 ILE 4 -12.755 3.768 -9.261 28 3HG2 ILE 4 3HG2 ILE 4 -13.276 2.431 -10.288 29 1HD1 ILE 4 1HD1 ILE 4 -14.352 1.778 -11.919 30 2HD1 ILE 4 2HD1 ILE 4 -13.696 2.702 -13.270 31 3HD1 ILE 4 3HD1 ILE 4 -15.396 2.236 -13.264 32 H ARG 5 H ARG 5 -11.793 6.048 -11.197 33 HA ARG 5 HA ARG 5 -9.879 6.930 -10.385 34 1HB ARG 5 2HB ARG 5 -11.048 9.007 -10.444 35 2HB ARG 5 1HB ARG 5 -11.871 8.656 -8.931 36 1HG ARG 5 2HG ARG 5 -9.812 8.871 -7.705 37 2HG ARG 5 1HG ARG 5 -8.903 9.072 -9.207 38 1HD ARG 5 2HD ARG 5 -11.157 10.920 -8.528 39 2HD ARG 5 1HD ARG 5 -9.558 11.165 -7.827 40 HE ARG 5 HE ARG 5 -8.709 11.356 -10.120 41 1HH1 ARG 5 1HH1 ARG 5 -12.175 11.735 -9.662 42 2HH1 ARG 5 2HH1 ARG 5 -12.353 12.791 -11.036 43 1HH2 ARG 5 1HH2 ARG 5 -8.951 12.717 -11.908 44 2HH2 ARG 5 2HH2 ARG 5 -10.520 13.348 -12.314 45 H THR 6 H THR 6 -9.213 5.017 -9.390 46 HA THR 6 HA THR 6 -8.546 5.425 -6.640 47 HB THR 6 HB THR 6 -10.818 4.413 -6.425 48 HG1 THR 6 1HG THR 6 -9.239 4.094 -4.793 49 1HG2 THR 6 1HG2 THR 6 -11.115 2.030 -6.924 50 2HG2 THR 6 2HG2 THR 6 -9.514 1.983 -7.661 51 3HG2 THR 6 3HG2 THR 6 -10.793 2.955 -8.391 52 H SER 7 H SER 7 -8.405 3.612 -9.595 53 HA SER 7 HA SER 7 -6.585 1.610 -8.894 54 1HB SER 7 2HB SER 7 -7.857 1.591 -10.986 55 2HB SER 7 1HB SER 7 -6.953 2.990 -11.566 56 HG SER 7 HG SER 7 -5.971 1.217 -12.432 57 H PHE 8 H PHE 8 -6.057 4.983 -9.670 58 HA PHE 8 HA PHE 8 -3.297 4.834 -10.186 59 1HB PHE 8 2HB PHE 8 -5.039 7.091 -9.211 60 2HB PHE 8 1HB PHE 8 -3.321 7.292 -9.538 61 HD1 PHE 8 1HD PHE 8 -6.627 6.790 -11.004 62 HD2 PHE 8 2HD PHE 8 -2.463 7.175 -11.803 63 HE1 PHE 8 1HE PHE 8 -7.123 7.167 -13.384 64 HE2 PHE 8 2HE PHE 8 -2.952 7.554 -14.186 65 HZ PHE 8 HZ PHE 8 -5.284 7.547 -14.979 66 H VAL 9 H VAL 9 -5.118 5.136 -7.188 67 HA VAL 9 HA VAL 9 -2.906 5.638 -5.487 68 HB VAL 9 HB VAL 9 -5.506 4.255 -4.782 69 1HG1 VAL 9 1HG1 VAL 9 -5.062 5.066 -2.514 70 2HG1 VAL 9 2HG1 VAL 9 -3.523 5.734 -3.058 71 3HG1 VAL 9 3HG1 VAL 9 -3.783 3.990 -3.080 72 1HG2 VAL 9 1HG2 VAL 9 -5.912 6.417 -5.846 73 2HG2 VAL 9 2HG2 VAL 9 -4.821 7.192 -4.698 74 3HG2 VAL 9 3HG2 VAL 9 -6.322 6.462 -4.131 75 H LYS 10 H LYS 10 -4.457 2.757 -6.714 76 HA LYS 10 HA LYS 10 -3.037 0.850 -5.193 77 1HB LYS 10 2HB LYS 10 -5.121 0.316 -6.328 78 2HB LYS 10 1HB LYS 10 -4.390 0.641 -7.889 79 1HG LYS 10 2HG LYS 10 -3.011 -1.293 -7.730 80 2HG LYS 10 1HG LYS 10 -3.463 -1.541 -6.040 81 1HD LYS 10 2HD LYS 10 -5.735 -2.030 -6.670 82 2HD LYS 10 1HD LYS 10 -5.395 -1.632 -8.355 83 1HE LYS 10 2HE LYS 10 -3.958 -3.821 -6.884 84 2HE LYS 10 1HE LYS 10 -5.470 -4.094 -7.748 85 1HZ LYS 10 1HZ LYS 10 -4.439 -3.402 -9.782 86 2HZ LYS 10 2HZ LYS 10 -3.489 -4.615 -9.075 87 3HZ LYS 10 3HZ LYS 10 -3.000 -2.992 -8.982 88 H ARG 11 H ARG 11 -2.361 2.509 -8.221 89 HA ARG 11 HA ARG 11 -0.129 0.950 -8.984 90 1HB ARG 11 2HB ARG 11 -1.364 2.528 -10.491 91 2HB ARG 11 1HB ARG 11 -0.620 3.864 -9.622 92 1HG ARG 11 2HG ARG 11 1.604 2.980 -10.264 93 2HG ARG 11 1HG ARG 11 0.797 1.752 -11.236 94 1HD ARG 11 2HD ARG 11 -0.279 3.554 -12.546 95 2HD ARG 11 1HD ARG 11 0.635 4.741 -11.613 96 HE ARG 11 HE ARG 11 1.945 2.668 -13.264 97 1HH1 ARG 11 1HH1 ARG 11 1.563 6.012 -12.272 98 2HH1 ARG 11 2HH1 ARG 11 2.960 6.561 -13.157 99 1HH2 ARG 11 1HH2 ARG 11 3.760 3.378 -14.416 100 2HH2 ARG 11 2HH2 ARG 11 4.230 5.050 -14.361 101 H ILE 12 H ILE 12 -0.456 3.905 -7.058 102 HA ILE 12 HA ILE 12 2.292 4.337 -6.609 103 HB ILE 12 HB ILE 12 -0.213 5.250 -5.270 104 1HG1 ILE 12 2HG1 ILE 12 0.809 7.470 -5.678 105 2HG1 ILE 12 1HG1 ILE 12 2.241 6.678 -6.320 106 1HG2 ILE 12 1HG2 ILE 12 2.507 5.565 -4.010 107 2HG2 ILE 12 2HG2 ILE 12 1.139 4.673 -3.348 108 3HG2 ILE 12 3HG2 ILE 12 1.049 6.426 -3.515 109 1HD1 ILE 12 1HD1 ILE 12 0.925 5.752 -8.139 110 2HD1 ILE 12 2HD1 ILE 12 0.800 7.511 -8.087 111 3HD1 ILE 12 3HD1 ILE 12 -0.525 6.515 -7.486 112 H ALA 13 H ALA 13 -0.114 2.421 -4.857 113 HA ALA 13 HA ALA 13 1.514 1.589 -2.732 114 1HB ALA 13 1HB ALA 13 -0.711 0.052 -4.072 115 2HB ALA 13 2HB ALA 13 -0.912 1.238 -2.783 116 3HB ALA 13 3HB ALA 13 -0.044 -0.265 -2.470 117 H LYS 14 H LYS 14 0.925 0.104 -5.906 118 HA LYS 14 HA LYS 14 2.592 -2.112 -5.657 119 1HB LYS 14 2HB LYS 14 1.721 -0.478 -8.024 120 2HB LYS 14 1HB LYS 14 2.839 -1.821 -8.220 121 1HG LYS 14 2HG LYS 14 0.156 -2.107 -6.900 122 2HG LYS 14 1HG LYS 14 0.422 -2.345 -8.629 123 1HD LYS 14 2HD LYS 14 1.855 -3.849 -6.439 124 2HD LYS 14 1HD LYS 14 0.463 -4.460 -7.336 125 1HE LYS 14 2HE LYS 14 1.732 -4.301 -9.420 126 2HE LYS 14 1HE LYS 14 3.120 -3.671 -8.533 127 1HZ LYS 14 1HZ LYS 14 1.909 -6.345 -8.083 128 2HZ LYS 14 2HZ LYS 14 3.330 -5.741 -7.370 129 3HZ LYS 14 3HZ LYS 14 3.284 -6.061 -9.036 130 H GLU 15 H GLU 15 3.375 1.118 -6.934 131 HA GLU 15 HA GLU 15 6.058 0.642 -7.550 132 1HB GLU 15 2HB GLU 15 4.714 2.642 -8.217 133 2HB GLU 15 1HB GLU 15 4.846 3.233 -6.568 134 1HG GLU 15 2HG GLU 15 6.449 4.355 -7.948 135 2HG GLU 15 1HG GLU 15 7.296 3.299 -6.817 136 H MET 16 H MET 16 4.526 1.595 -4.533 137 HA MET 16 HA MET 16 6.912 2.158 -3.095 138 1HB MET 16 2HB MET 16 4.628 2.998 -2.527 139 2HB MET 16 1HB MET 16 4.212 1.374 -1.999 140 1HG MET 16 2HG MET 16 5.883 1.469 -0.266 141 2HG MET 16 1HG MET 16 6.420 3.048 -0.837 142 1HE MET 16 1HE MET 16 3.444 4.212 -1.620 143 2HE MET 16 2HE MET 16 4.710 5.202 -0.890 144 3HE MET 16 3HE MET 16 3.101 5.152 -0.167 145 H ILE 17 H ILE 17 4.810 -0.699 -3.277 146 HA ILE 17 HA ILE 17 6.309 -2.165 -1.323 147 HB ILE 17 HB ILE 17 4.325 -3.222 -3.344 148 1HG1 ILE 17 2HG1 ILE 17 3.835 -2.413 -0.469 149 2HG1 ILE 17 1HG1 ILE 17 3.408 -1.423 -1.861 150 1HG2 ILE 17 1HG2 ILE 17 5.741 -4.945 -2.351 151 2HG2 ILE 17 2HG2 ILE 17 4.075 -5.085 -1.790 152 3HG2 ILE 17 3HG2 ILE 17 5.304 -4.383 -0.738 153 1HD1 ILE 17 1HD1 ILE 17 1.473 -2.611 -1.049 154 2HD1 ILE 17 2HD1 ILE 17 2.315 -4.150 -1.211 155 3HD1 ILE 17 3HD1 ILE 17 1.914 -3.208 -2.648 156 H GLU 18 H GLU 18 6.049 -2.283 -4.863 157 HA GLU 18 HA GLU 18 7.485 -4.695 -5.158 158 1HB GLU 18 2HB GLU 18 5.942 -3.088 -6.776 159 2HB GLU 18 1HB GLU 18 7.545 -2.930 -7.479 160 1HG GLU 18 2HG GLU 18 6.269 -4.723 -8.521 161 2HG GLU 18 1HG GLU 18 7.713 -5.332 -7.711 162 H THR 19 H THR 19 8.665 -1.639 -4.386 163 HA THR 19 HA THR 19 11.138 -1.808 -5.841 164 HB THR 19 HB THR 19 10.068 0.356 -5.017 165 HG1 THR 19 1HG THR 19 12.493 -0.178 -5.533 166 1HG2 THR 19 1HG2 THR 19 9.578 -0.311 -2.732 167 2HG2 THR 19 2HG2 THR 19 10.680 1.067 -2.736 168 3HG2 THR 19 3HG2 THR 19 11.295 -0.554 -2.413 169 H HIS 20 H HIS 20 9.863 -3.187 -3.015 170 HA HIS 20 HA HIS 20 12.450 -4.403 -2.409 171 1HB HIS 20 2HB HIS 20 12.225 -2.488 -0.855 172 2HB HIS 20 1HB HIS 20 10.681 -3.124 -0.300 173 HD1 HIS 20 1HD HIS 20 12.303 -2.814 1.991 174 HD2 HIS 20 2HD HIS 20 12.950 -6.091 -0.495 175 HE1 HIS 20 1HE HIS 20 13.492 -4.519 3.400 176 HE2 HIS 20 2HE HIS 20 13.690 -6.558 1.940 177 HA PRO 21 HA PRO 21 9.421 -7.709 -2.801 178 1HB PRO 21 2HB PRO 21 11.798 -9.424 -2.516 179 2HB PRO 21 1HB PRO 21 10.644 -9.309 -3.849 180 1HG PRO 21 2HG PRO 21 13.136 -8.368 -4.087 181 2HG PRO 21 1HG PRO 21 11.759 -7.540 -4.837 182 1HD PRO 21 2HD PRO 21 13.205 -6.881 -2.291 183 2HD PRO 21 1HD PRO 21 12.666 -5.792 -3.589 184 H GLY 22 H GLY 22 10.336 -6.589 -0.086 185 1HA GLY 22 2HA GLY 22 10.288 -8.963 1.600 186 2HA GLY 22 1HA GLY 22 10.314 -7.288 2.149 187 H LYS 23 H LYS 23 8.222 -9.460 0.298 188 HA LYS 23 HA LYS 23 5.890 -7.972 1.294 189 1HB LYS 23 2HB LYS 23 6.389 -7.962 -1.163 190 2HB LYS 23 1HB LYS 23 6.143 -9.699 -1.176 191 1HG LYS 23 2HG LYS 23 3.810 -9.286 -0.374 192 2HG LYS 23 1HG LYS 23 4.103 -7.561 -0.612 193 1HD LYS 23 2HD LYS 23 4.235 -9.712 -2.727 194 2HD LYS 23 1HD LYS 23 2.970 -8.495 -2.547 195 1HE LYS 23 2HE LYS 23 4.527 -6.729 -3.049 196 2HE LYS 23 1HE LYS 23 5.876 -7.865 -3.054 197 1HZ LYS 23 1HZ LYS 23 3.619 -7.819 -4.985 198 2HZ LYS 23 2HZ LYS 23 4.854 -8.978 -4.962 199 3HZ LYS 23 3HZ LYS 23 5.221 -7.355 -5.297 200 H PHE 24 H PHE 24 3.967 -9.166 1.744 201 HA PHE 24 HA PHE 24 2.682 -10.837 2.539 202 1HB PHE 24 2HB PHE 24 3.327 -11.933 0.388 203 2HB PHE 24 1HB PHE 24 4.659 -12.716 1.228 204 HD1 PHE 24 1HD PHE 24 4.336 -14.826 2.100 205 HD2 PHE 24 2HD PHE 24 0.961 -12.329 1.422 206 HE1 PHE 24 1HE PHE 24 2.848 -16.676 2.734 207 HE2 PHE 24 2HE PHE 24 -0.536 -14.172 2.057 208 HZ PHE 24 HZ PHE 24 0.406 -16.351 2.717 209 H THR 25 H THR 25 4.231 -9.773 4.425 210 HA THR 25 HA THR 25 5.146 -12.092 5.983 211 HB THR 25 HB THR 25 5.478 -9.187 6.759 212 HG1 THR 25 1HG THR 25 6.754 -10.684 4.813 213 1HG2 THR 25 1HG2 THR 25 6.997 -11.695 7.509 214 2HG2 THR 25 2HG2 THR 25 5.848 -10.841 8.538 215 3HG2 THR 25 3HG2 THR 25 7.360 -10.065 8.072 216 H ASP 26 H ASP 26 2.481 -10.411 5.338 217 HA ASP 26 HA ASP 26 0.464 -10.009 6.264 218 1HB ASP 26 2HB ASP 26 -0.580 -11.959 7.270 219 2HB ASP 26 1HB ASP 26 0.394 -12.412 5.883 220 H ASP 27 H ASP 27 2.483 -8.726 7.797 221 HA ASP 27 HA ASP 27 0.997 -8.583 10.325 222 1HB ASP 27 2HB ASP 27 3.161 -9.732 10.702 223 2HB ASP 27 1HB ASP 27 4.003 -8.325 10.062 224 H PHE 28 H PHE 28 0.740 -6.510 11.190 225 HA PHE 28 HA PHE 28 0.582 -4.454 9.245 226 1HB PHE 28 2HB PHE 28 0.206 -4.413 12.240 227 2HB PHE 28 1HB PHE 28 -0.073 -3.013 11.212 228 HD1 PHE 28 1HD PHE 28 -1.993 -2.896 9.763 229 HD2 PHE 28 2HD PHE 28 -1.291 -6.329 12.176 230 HE1 PHE 28 1HE PHE 28 -4.302 -3.643 9.363 231 HE2 PHE 28 2HE PHE 28 -3.597 -7.085 11.779 232 HZ PHE 28 HZ PHE 28 -5.107 -5.739 10.374 233 H ASP 29 H ASP 29 2.881 -5.170 11.807 234 HA ASP 29 HA ASP 29 4.186 -2.652 11.799 235 1HB ASP 29 2HB ASP 29 4.380 -4.373 13.614 236 2HB ASP 29 1HB ASP 29 5.379 -5.334 12.529 237 H THR 30 H THR 30 4.677 -5.652 10.040 238 HA THR 30 HA THR 30 7.094 -5.017 8.782 239 HB THR 30 HB THR 30 4.908 -6.686 7.537 240 HG1 THR 30 1HG THR 30 6.687 -7.251 9.683 241 1HG2 THR 30 1HG2 THR 30 6.806 -7.936 6.606 242 2HG2 THR 30 2HG2 THR 30 7.924 -6.829 7.405 243 3HG2 THR 30 3HG2 THR 30 6.859 -6.239 6.128 244 H ASN 31 H ASN 31 3.741 -4.664 7.605 245 HA ASN 31 HA ASN 31 4.446 -3.462 5.159 246 1HB ASN 31 2HB ASN 31 1.852 -3.307 6.710 247 2HB ASN 31 1HB ASN 31 2.056 -2.844 5.021 248 1HD2 ASN 31 1HD2 ASN 31 0.365 -4.916 6.256 249 2HD2 ASN 31 2HD2 ASN 31 0.812 -6.392 5.477 250 H LYS 32 H LYS 32 3.812 -2.179 8.353 251 HA LYS 32 HA LYS 32 3.632 0.545 7.755 252 1HB LYS 32 2HB LYS 32 3.182 -0.389 9.992 253 2HB LYS 32 1HB LYS 32 4.889 -0.765 10.179 254 1HG LYS 32 2HG LYS 32 5.417 1.628 10.070 255 2HG LYS 32 1HG LYS 32 3.694 1.991 9.932 256 1HD LYS 32 2HD LYS 32 3.344 0.834 12.112 257 2HD LYS 32 1HD LYS 32 5.093 0.666 12.253 258 1HE LYS 32 2HE LYS 32 3.666 3.303 11.957 259 2HE LYS 32 1HE LYS 32 4.130 2.601 13.504 260 1HZ LYS 32 1HZ LYS 32 5.717 4.257 12.643 261 2HZ LYS 32 2HZ LYS 32 6.050 3.242 11.323 262 3HZ LYS 32 3HZ LYS 32 6.424 2.738 12.900 263 H LYS 33 H LYS 33 6.494 -1.368 8.644 264 HA LYS 33 HA LYS 33 8.342 0.741 8.261 265 1HB LYS 33 2HB LYS 33 8.564 -2.227 8.563 266 2HB LYS 33 1HB LYS 33 9.973 -1.308 8.062 267 1HG LYS 33 2HG LYS 33 9.933 -1.720 10.474 268 2HG LYS 33 1HG LYS 33 9.899 0.000 10.092 269 1HD LYS 33 2HD LYS 33 7.517 0.084 10.525 270 2HD LYS 33 1HD LYS 33 7.474 -1.658 10.788 271 1HE LYS 33 2HE LYS 33 9.060 0.293 12.455 272 2HE LYS 33 1HE LYS 33 7.467 -0.333 12.884 273 1HZ LYS 33 1HZ LYS 33 9.212 -1.578 13.983 274 2HZ LYS 33 2HZ LYS 33 9.922 -1.963 12.496 275 3HZ LYS 33 3HZ LYS 33 8.384 -2.572 12.886 276 H LEU 34 H LEU 34 7.114 -1.797 6.160 277 HA LEU 34 HA LEU 34 8.849 -1.531 3.992 278 1HB LEU 34 2HB LEU 34 7.157 -3.318 4.282 279 2HB LEU 34 1HB LEU 34 5.891 -2.154 3.951 280 HG LEU 34 HG LEU 34 6.858 -1.842 1.663 281 1HD1 LEU 34 1HD1 LEU 34 8.422 -3.522 0.826 282 2HD1 LEU 34 2HD1 LEU 34 8.552 -4.211 2.445 283 3HD1 LEU 34 3HD1 LEU 34 9.139 -2.577 2.132 284 1HD2 LEU 34 1HD2 LEU 34 5.976 -3.931 0.784 285 2HD2 LEU 34 2HD2 LEU 34 4.952 -3.320 2.084 286 3HD2 LEU 34 3HD2 LEU 34 6.060 -4.659 2.388 287 H VAL 35 H VAL 35 5.910 0.262 4.806 288 HA VAL 35 HA VAL 35 5.904 1.896 2.484 289 HB VAL 35 HB VAL 35 4.645 2.352 5.198 290 1HG1 VAL 35 1HG1 VAL 35 4.164 3.835 2.615 291 2HG1 VAL 35 2HG1 VAL 35 4.980 4.481 4.039 292 3HG1 VAL 35 3HG1 VAL 35 3.270 4.055 4.120 293 1HG2 VAL 35 1HG2 VAL 35 3.774 0.406 4.016 294 2HG2 VAL 35 2HG2 VAL 35 3.467 1.399 2.590 295 3HG2 VAL 35 3HG2 VAL 35 2.571 1.696 4.082 296 H GLU 36 H GLU 36 7.189 2.321 5.762 297 HA GLU 36 HA GLU 36 7.793 5.072 5.396 298 1HB GLU 36 2HB GLU 36 8.735 3.131 7.502 299 2HB GLU 36 1HB GLU 36 8.974 4.873 7.563 300 1HG GLU 36 2HG GLU 36 6.500 5.145 7.486 301 2HG GLU 36 1HG GLU 36 6.353 3.393 7.618 302 H GLU 37 H GLU 37 9.602 2.160 4.747 303 HA GLU 37 HA GLU 37 12.136 3.516 4.699 304 1HB GLU 37 2HB GLU 37 13.030 1.428 3.774 305 2HB GLU 37 1HB GLU 37 12.086 1.155 5.228 306 1HG GLU 37 2HG GLU 37 10.220 0.373 3.909 307 2HG GLU 37 1HG GLU 37 11.097 0.723 2.421 308 H PHE 38 H PHE 38 9.541 3.227 2.528 309 HA PHE 38 HA PHE 38 11.258 4.238 0.359 310 1HB PHE 38 2HB PHE 38 10.042 2.119 -0.159 311 2HB PHE 38 1HB PHE 38 8.521 2.969 0.091 312 HD1 PHE 38 1HD PHE 38 11.644 3.153 -1.932 313 HD2 PHE 38 2HD PHE 38 7.470 3.950 -1.713 314 HE1 PHE 38 1HE PHE 38 11.652 3.839 -4.293 315 HE2 PHE 38 2HE PHE 38 7.473 4.639 -4.070 316 HZ PHE 38 HZ PHE 38 9.565 4.583 -5.366 317 H SER 39 H SER 39 7.754 4.446 0.772 318 HA SER 39 HA SER 39 6.303 6.167 1.008 319 1HB SER 39 2HB SER 39 8.699 7.549 2.230 320 2HB SER 39 1HB SER 39 7.059 8.195 2.260 321 HG SER 39 HG SER 39 7.489 5.579 3.172 322 H THR 40 H THR 40 5.708 6.737 -0.987 323 HA THR 40 HA THR 40 7.098 9.046 -2.158 324 HB THR 40 HB THR 40 7.616 6.953 -3.439 325 HG1 THR 40 1HG THR 40 7.545 9.044 -4.458 326 1HG2 THR 40 1HG2 THR 40 5.503 5.773 -3.113 327 2HG2 THR 40 2HG2 THR 40 5.861 5.954 -4.829 328 3HG2 THR 40 3HG2 THR 40 4.659 6.995 -4.065 329 H VAL 41 H VAL 41 4.657 8.498 -0.454 330 HA VAL 41 HA VAL 41 2.551 9.485 -2.246 331 HB VAL 41 HB VAL 41 2.067 7.320 -1.180 332 1HG1 VAL 41 1HG1 VAL 41 3.330 7.556 0.868 333 2HG1 VAL 41 2HG1 VAL 41 1.644 7.195 1.237 334 3HG1 VAL 41 3HG1 VAL 41 2.253 8.841 1.416 335 1HG2 VAL 41 1HG2 VAL 41 0.341 9.589 -0.203 336 2HG2 VAL 41 2HG2 VAL 41 -0.140 7.892 -0.259 337 3HG2 VAL 41 3HG2 VAL 41 0.212 8.759 -1.754 338 H SER 42 H SER 42 1.527 11.366 -1.808 339 HA SER 42 HA SER 42 2.605 13.057 0.286 340 1HB SER 42 2HB SER 42 0.517 13.657 -1.830 341 2HB SER 42 1HB SER 42 1.309 14.840 -0.785 342 HG SER 42 HG SER 42 3.229 14.466 -1.815 343 H THR 43 H THR 43 1.014 14.377 1.583 344 HA THR 43 HA THR 43 -0.646 14.520 3.129 345 HB THR 43 HB THR 43 -2.018 12.277 1.634 346 HG1 THR 43 1HG THR 43 -1.551 14.783 0.889 347 1HG2 THR 43 1HG2 THR 43 -3.103 14.304 3.600 348 2HG2 THR 43 2HG2 THR 43 -2.875 12.581 3.908 349 3HG2 THR 43 3HG2 THR 43 -4.058 13.111 2.711 350 H LYS 44 H LYS 44 0.040 13.935 5.059 351 HA LYS 44 HA LYS 44 1.573 11.585 5.407 352 1HB LYS 44 2HB LYS 44 0.546 13.536 7.471 353 2HB LYS 44 1HB LYS 44 1.778 12.313 7.755 354 1HG LYS 44 2HG LYS 44 1.987 14.629 5.839 355 2HG LYS 44 1HG LYS 44 2.785 14.490 7.406 356 1HD LYS 44 2HD LYS 44 4.056 12.576 6.616 357 2HD LYS 44 1HD LYS 44 3.212 12.628 5.067 358 1HE LYS 44 2HE LYS 44 4.151 14.840 4.627 359 2HE LYS 44 1HE LYS 44 4.984 14.803 6.177 360 1HZ LYS 44 1HZ LYS 44 5.448 12.903 3.934 361 2HZ LYS 44 2HZ LYS 44 6.265 12.908 5.425 362 3HZ LYS 44 3HZ LYS 44 6.456 14.202 4.351 363 H HIS 45 H HIS 45 -1.754 12.369 6.312 364 HA HIS 45 HA HIS 45 -2.024 9.996 7.926 365 1HB HIS 45 2HB HIS 45 -3.355 12.099 8.303 366 2HB HIS 45 1HB HIS 45 -4.244 11.734 6.827 367 HD1 HIS 45 1HD HIS 45 -6.284 10.334 7.104 368 HD2 HIS 45 2HD HIS 45 -3.675 9.961 10.328 369 HE1 HIS 45 1HE HIS 45 -7.472 8.880 8.785 370 HE2 HIS 45 2HE HIS 45 -5.847 8.600 10.695 371 H LEU 46 H LEU 46 -2.035 10.593 4.612 372 HA LEU 46 HA LEU 46 -3.960 8.615 3.835 373 1HB LEU 46 2HB LEU 46 -3.284 10.543 2.403 374 2HB LEU 46 1HB LEU 46 -1.701 9.812 2.223 375 HG LEU 46 HG LEU 46 -2.737 7.873 1.091 376 1HD1 LEU 46 1HD1 LEU 46 -4.933 7.956 2.134 377 2HD1 LEU 46 2HD1 LEU 46 -5.074 8.010 0.377 378 3HD1 LEU 46 3HD1 LEU 46 -5.275 9.484 1.323 379 1HD2 LEU 46 1HD2 LEU 46 -3.328 9.042 -0.986 380 2HD2 LEU 46 2HD2 LEU 46 -1.881 9.715 -0.235 381 3HD2 LEU 46 3HD2 LEU 46 -3.422 10.560 -0.092 382 H ARG 47 H ARG 47 -0.681 8.635 4.816 383 HA ARG 47 HA ARG 47 0.297 6.291 3.642 384 1HB ARG 47 2HB ARG 47 1.681 7.942 4.882 385 2HB ARG 47 1HB ARG 47 0.952 7.394 6.385 386 1HG ARG 47 2HG ARG 47 1.864 5.134 5.949 387 2HG ARG 47 1HG ARG 47 2.682 5.780 4.528 388 1HD ARG 47 2HD ARG 47 4.246 5.705 6.348 389 2HD ARG 47 1HD ARG 47 3.865 7.390 5.994 390 HE ARG 47 HE ARG 47 2.877 7.589 8.064 391 1HH1 ARG 47 1HH1 ARG 47 3.471 4.205 7.392 392 2HH1 ARG 47 2HH1 ARG 47 3.157 3.699 9.020 393 1HH2 ARG 47 1HH2 ARG 47 2.509 6.916 10.232 394 2HH2 ARG 47 2HH2 ARG 47 2.634 5.228 10.627 395 H ASN 48 H ASN 48 -1.824 6.816 6.356 396 HA ASN 48 HA ASN 48 -1.692 4.290 7.575 397 1HB ASN 48 2HB ASN 48 -4.069 6.160 7.387 398 2HB ASN 48 1HB ASN 48 -3.907 4.823 8.519 399 1HD2 ASN 48 1HD2 ASN 48 -4.060 6.076 10.324 400 2HD2 ASN 48 2HD2 ASN 48 -2.840 7.214 10.803 401 H LYS 49 H LYS 49 -3.725 5.539 4.976 402 HA LYS 49 HA LYS 49 -5.292 3.196 4.674 403 1HB LYS 49 2HB LYS 49 -4.744 5.451 2.732 404 2HB LYS 49 1HB LYS 49 -5.957 4.200 2.496 405 1HG LYS 49 2HG LYS 49 -7.125 4.944 4.508 406 2HG LYS 49 1HG LYS 49 -5.906 6.198 4.752 407 1HD LYS 49 2HD LYS 49 -6.519 7.215 2.618 408 2HD LYS 49 1HD LYS 49 -7.720 5.948 2.352 409 1HE LYS 49 2HE LYS 49 -7.742 7.866 4.680 410 2HE LYS 49 1HE LYS 49 -8.675 8.081 3.201 411 1HZ LYS 49 1HZ LYS 49 -8.927 5.787 5.082 412 2HZ LYS 49 2HZ LYS 49 -9.836 6.014 3.667 413 3HZ LYS 49 3HZ LYS 49 -10.003 7.093 4.958 414 H ILE 50 H ILE 50 -2.276 4.313 3.282 415 HA ILE 50 HA ILE 50 -2.017 2.330 1.288 416 HB ILE 50 HB ILE 50 0.160 3.794 2.791 417 1HG1 ILE 50 2HG1 ILE 50 -1.367 5.330 1.659 418 2HG1 ILE 50 1HG1 ILE 50 0.188 5.302 0.838 419 1HG2 ILE 50 1HG2 ILE 50 1.572 3.269 0.851 420 2HG2 ILE 50 2HG2 ILE 50 0.269 2.290 0.177 421 3HG2 ILE 50 3HG2 ILE 50 1.034 1.818 1.695 422 1HD1 ILE 50 1HD1 ILE 50 -1.608 5.344 -0.766 423 2HD1 ILE 50 2HD1 ILE 50 -2.325 3.901 -0.046 424 3HD1 ILE 50 3HD1 ILE 50 -0.763 3.799 -0.860 425 H ALA 51 H ALA 51 -0.766 2.511 4.616 426 HA ALA 51 HA ALA 51 0.548 0.030 4.636 427 1HB ALA 51 1HB ALA 51 0.924 1.767 6.325 428 2HB ALA 51 2HB ALA 51 0.524 0.213 7.062 429 3HB ALA 51 3HB ALA 51 -0.694 1.487 6.969 430 H GLY 52 H GLY 52 -2.763 0.912 5.544 431 1HA GLY 52 2HA GLY 52 -3.557 -1.688 6.362 432 2HA GLY 52 1HA GLY 52 -4.632 -0.379 5.894 433 H TYR 53 H TYR 53 -3.492 -0.048 3.276 434 HA TYR 53 HA TYR 53 -5.107 -1.818 1.807 435 1HB TYR 53 2HB TYR 53 -4.143 0.536 1.215 436 2HB TYR 53 1HB TYR 53 -2.769 -0.373 0.599 437 HD1 TYR 53 1HD TYR 53 -6.419 0.122 0.234 438 HD2 TYR 53 2HD TYR 53 -2.862 -1.414 -1.523 439 HE1 TYR 53 1HE TYR 53 -7.610 -0.182 -1.895 440 HE2 TYR 53 2HE TYR 53 -4.046 -1.725 -3.655 441 HH TYR 53 HH TYR 53 -6.385 -2.040 -4.430 442 H ILE 54 H ILE 54 -1.584 -1.716 2.301 443 HA ILE 54 HA ILE 54 -0.888 -3.916 0.711 444 HB ILE 54 HB ILE 54 0.466 -3.174 3.306 445 1HG1 ILE 54 2HG1 ILE 54 0.949 -2.016 0.552 446 2HG1 ILE 54 1HG1 ILE 54 0.157 -1.178 1.882 447 1HG2 ILE 54 1HG2 ILE 54 1.193 -5.284 2.326 448 2HG2 ILE 54 2HG2 ILE 54 2.468 -4.071 2.208 449 3HG2 ILE 54 3HG2 ILE 54 1.504 -4.476 0.790 450 1HD1 ILE 54 1HD1 ILE 54 2.197 -1.317 3.199 451 2HD1 ILE 54 2HD1 ILE 54 2.479 -0.491 1.666 452 3HD1 ILE 54 3HD1 ILE 54 2.999 -2.164 1.877 453 H THR 55 H THR 55 -1.332 -3.813 4.242 454 HA THR 55 HA THR 55 -1.256 -6.473 4.854 455 HB THR 55 HB THR 55 -3.297 -4.636 6.092 456 HG1 THR 55 1HG THR 55 -1.534 -3.347 6.187 457 1HG2 THR 55 1HG2 THR 55 -2.688 -5.832 8.132 458 2HG2 THR 55 2HG2 THR 55 -1.499 -6.776 7.233 459 3HG2 THR 55 3HG2 THR 55 -3.219 -6.960 6.882 460 H ARG 56 H ARG 56 -4.029 -4.665 3.575 461 HA ARG 56 HA ARG 56 -5.922 -6.747 3.791 462 1HB ARG 56 2HB ARG 56 -6.571 -4.405 3.462 463 2HB ARG 56 1HB ARG 56 -5.851 -4.423 1.857 464 1HG ARG 56 2HG ARG 56 -7.461 -6.126 1.160 465 2HG ARG 56 1HG ARG 56 -8.194 -6.081 2.766 466 1HD ARG 56 2HD ARG 56 -8.770 -3.734 2.443 467 2HD ARG 56 1HD ARG 56 -8.007 -3.760 0.851 468 HE ARG 56 HE ARG 56 -9.955 -5.792 0.992 469 1HH1 ARG 56 1HH1 ARG 56 -9.748 -2.284 0.853 470 2HH1 ARG 56 2HH1 ARG 56 -11.269 -2.115 0.028 471 1HH2 ARG 56 1HH2 ARG 56 -11.921 -5.556 -0.081 472 2HH2 ARG 56 2HH2 ARG 56 -12.506 -3.977 -0.509 473 H ILE 57 H ILE 57 -3.890 -5.693 1.053 474 HA ILE 57 HA ILE 57 -4.792 -7.585 -0.807 475 HB ILE 57 HB ILE 57 -2.044 -6.335 -0.584 476 1HG1 ILE 57 2HG1 ILE 57 -4.444 -5.550 -2.257 477 2HG1 ILE 57 1HG1 ILE 57 -3.894 -4.708 -0.813 478 1HG2 ILE 57 1HG2 ILE 57 -3.351 -7.796 -2.877 479 2HG2 ILE 57 2HG2 ILE 57 -1.923 -8.302 -1.971 480 3HG2 ILE 57 3HG2 ILE 57 -1.854 -6.869 -2.996 481 1HD1 ILE 57 1HD1 ILE 57 -3.194 -3.550 -2.822 482 2HD1 ILE 57 2HD1 ILE 57 -2.357 -4.997 -3.383 483 3HD1 ILE 57 3HD1 ILE 57 -1.796 -4.160 -1.936 484 H ILE 58 H ILE 58 -2.191 -7.742 1.579 485 HA ILE 58 HA ILE 58 -1.124 -10.228 0.818 486 HB ILE 58 HB ILE 58 -1.105 -8.829 3.489 487 1HG1 ILE 58 2HG1 ILE 58 0.984 -9.069 1.316 488 2HG1 ILE 58 1HG1 ILE 58 0.031 -7.633 1.672 489 1HG2 ILE 58 1HG2 ILE 58 0.713 -10.323 4.124 490 2HG2 ILE 58 2HG2 ILE 58 0.516 -11.209 2.613 491 3HG2 ILE 58 3HG2 ILE 58 -0.774 -11.219 3.815 492 1HD1 ILE 58 1HD1 ILE 58 1.071 -7.501 3.881 493 2HD1 ILE 58 2HD1 ILE 58 2.262 -7.434 2.582 494 3HD1 ILE 58 3HD1 ILE 58 2.040 -8.923 3.501 495 H SER 59 H SER 59 -3.571 -9.427 3.283 496 HA SER 59 HA SER 59 -3.792 -12.058 4.283 497 1HB SER 59 2HB SER 59 -6.018 -11.142 5.219 498 2HB SER 59 1HB SER 59 -4.517 -10.387 5.751 499 HG SER 59 HG SER 59 -4.907 -8.669 4.421 500 H GLN 60 H GLN 60 -5.399 -10.405 1.650 501 HA GLN 60 HA GLN 60 -7.330 -12.538 1.300 502 1HB GLN 60 2HB GLN 60 -6.719 -10.069 -0.328 503 2HB GLN 60 1HB GLN 60 -7.967 -11.233 -0.753 504 1HG GLN 60 2HG GLN 60 -7.848 -9.571 1.752 505 2HG GLN 60 1HG GLN 60 -8.938 -9.342 0.384 506 1HE2 GLN 60 1HE2 GLN 60 -9.553 -9.828 3.192 507 2HE2 GLN 60 2HE2 GLN 60 -10.507 -11.274 3.237 508 H GLN 61 H GLN 61 -4.148 -11.874 0.297 509 HA GLN 61 HA GLN 61 -4.212 -13.215 -2.229 510 1HB GLN 61 2HB GLN 61 -2.545 -11.443 -1.453 511 2HB GLN 61 1HB GLN 61 -1.783 -12.711 -0.508 512 1HG GLN 61 2HG GLN 61 -2.183 -13.012 -3.458 513 2HG GLN 61 1HG GLN 61 -0.813 -12.122 -2.806 514 1HE2 GLN 61 1HE2 GLN 61 -0.580 -13.867 -0.480 515 2HE2 GLN 61 2HE2 GLN 61 0.105 -15.349 -1.048 516 H LYS 62 H LYS 62 -3.473 -14.113 1.076 517 HA LYS 62 HA LYS 62 -2.414 -16.693 0.405 518 1HB LYS 62 2HB LYS 62 -1.707 -15.469 2.421 519 2HB LYS 62 1HB LYS 62 -3.337 -15.595 3.064 520 1HG LYS 62 2HG LYS 62 -3.144 -17.983 3.233 521 2HG LYS 62 1HG LYS 62 -1.570 -17.947 2.432 522 1HD LYS 62 2HD LYS 62 -0.637 -16.669 4.272 523 2HD LYS 62 1HD LYS 62 -2.212 -16.615 5.062 524 1HE LYS 62 2HE LYS 62 -0.784 -18.302 6.074 525 2HE LYS 62 1HE LYS 62 -2.180 -19.044 5.297 526 1HZ LYS 62 1HZ LYS 62 0.468 -18.840 3.981 527 2HZ LYS 62 2HZ LYS 62 -0.856 -19.788 3.511 528 3HZ LYS 62 3HZ LYS 62 0.007 -20.169 4.921 Start of MODEL 2 1 1H MET 1 1HT MET 1 -15.260 11.740 -17.435 2 2H MET 1 2HT MET 1 -16.257 11.387 -18.759 3 3H MET 1 3HT MET 1 -14.582 11.509 -18.974 4 HA MET 1 HA MET 1 -15.940 9.471 -17.306 5 1HB MET 1 2HB MET 1 -14.774 9.283 -20.090 6 2HB MET 1 1HB MET 1 -15.204 7.889 -19.112 7 1HG MET 1 2HG MET 1 -16.957 8.298 -20.675 8 2HG MET 1 1HG MET 1 -17.543 8.707 -19.063 9 1HE MET 1 1HE MET 1 -18.967 9.575 -21.805 10 2HE MET 1 2HE MET 1 -19.403 11.242 -21.435 11 3HE MET 1 3HE MET 1 -19.607 9.986 -20.214 12 H GLY 2 H GLY 2 -14.640 8.638 -15.838 13 1HA GLY 2 2HA GLY 2 -11.764 8.449 -16.465 14 2HA GLY 2 1HA GLY 2 -12.283 9.140 -14.932 15 H ASN 3 H ASN 3 -13.872 6.473 -16.542 16 HA ASN 3 HA ASN 3 -14.031 4.929 -14.205 17 1HB ASN 3 2HB ASN 3 -14.942 3.173 -15.641 18 2HB ASN 3 1HB ASN 3 -15.618 4.737 -16.082 19 1HD2 ASN 3 1HD2 ASN 3 -13.727 2.057 -17.110 20 2HD2 ASN 3 2HD2 ASN 3 -13.478 2.584 -18.737 21 H ILE 4 H ILE 4 -11.605 5.049 -16.702 22 HA ILE 4 HA ILE 4 -10.378 2.562 -15.866 23 HB ILE 4 HB ILE 4 -10.330 3.228 -18.245 24 1HG1 ILE 4 2HG1 ILE 4 -7.908 2.813 -18.643 25 2HG1 ILE 4 1HG1 ILE 4 -7.610 3.064 -16.926 26 1HG2 ILE 4 1HG2 ILE 4 -10.158 5.626 -17.992 27 2HG2 ILE 4 2HG2 ILE 4 -8.824 5.028 -18.980 28 3HG2 ILE 4 3HG2 ILE 4 -8.547 5.464 -17.293 29 1HD1 ILE 4 1HD1 ILE 4 -7.684 0.705 -17.462 30 2HD1 ILE 4 2HD1 ILE 4 -9.307 0.889 -18.127 31 3HD1 ILE 4 3HD1 ILE 4 -9.025 1.145 -16.405 32 H ARG 5 H ARG 5 -10.188 5.887 -15.071 33 HA ARG 5 HA ARG 5 -7.555 5.593 -13.859 34 1HB ARG 5 2HB ARG 5 -9.325 7.983 -14.343 35 2HB ARG 5 1HB ARG 5 -7.899 8.066 -13.316 36 1HG ARG 5 2HG ARG 5 -6.498 7.370 -15.183 37 2HG ARG 5 1HG ARG 5 -7.920 7.259 -16.217 38 1HD ARG 5 2HD ARG 5 -7.025 9.783 -14.839 39 2HD ARG 5 1HD ARG 5 -6.592 9.354 -16.493 40 HE ARG 5 HE ARG 5 -9.359 9.827 -15.567 41 1HH1 ARG 5 1HH1 ARG 5 -6.838 10.054 -17.990 42 2HH1 ARG 5 2HH1 ARG 5 -7.884 10.731 -19.200 43 1HH2 ARG 5 1HH2 ARG 5 -10.725 10.760 -17.144 44 2HH2 ARG 5 2HH2 ARG 5 -10.090 11.168 -18.709 45 H THR 6 H THR 6 -7.802 4.386 -12.114 46 HA THR 6 HA THR 6 -9.015 5.481 -9.771 47 HB THR 6 HB THR 6 -11.055 4.591 -10.711 48 HG1 THR 6 1HG THR 6 -11.367 4.047 -8.686 49 1HG2 THR 6 1HG2 THR 6 -9.581 1.972 -11.006 50 2HG2 THR 6 2HG2 THR 6 -10.125 3.021 -12.313 51 3HG2 THR 6 3HG2 THR 6 -11.308 2.212 -11.288 52 H SER 7 H SER 7 -7.158 3.163 -11.464 53 HA SER 7 HA SER 7 -6.482 1.490 -9.264 54 1HB SER 7 2HB SER 7 -4.968 1.832 -11.855 55 2HB SER 7 1HB SER 7 -4.974 0.427 -10.788 56 HG SER 7 HG SER 7 -6.561 -0.248 -11.979 57 H PHE 8 H PHE 8 -5.776 4.628 -9.501 58 HA PHE 8 HA PHE 8 -2.959 4.766 -9.383 59 1HB PHE 8 2HB PHE 8 -5.084 6.672 -8.406 60 2HB PHE 8 1HB PHE 8 -3.361 7.032 -8.338 61 HD1 PHE 8 1HD PHE 8 -6.256 6.590 -10.528 62 HD2 PHE 8 2HD PHE 8 -2.104 7.492 -10.343 63 HE1 PHE 8 1HE PHE 8 -6.335 7.418 -12.841 64 HE2 PHE 8 2HE PHE 8 -2.175 8.327 -12.655 65 HZ PHE 8 HZ PHE 8 -4.295 8.288 -13.908 66 H VAL 9 H VAL 9 -5.414 4.627 -6.820 67 HA VAL 9 HA VAL 9 -3.683 4.752 -4.620 68 HB VAL 9 HB VAL 9 -6.290 3.234 -4.879 69 1HG1 VAL 9 1HG1 VAL 9 -4.809 4.100 -2.394 70 2HG1 VAL 9 2HG1 VAL 9 -4.994 2.442 -2.964 71 3HG1 VAL 9 3HG1 VAL 9 -6.407 3.356 -2.436 72 1HG2 VAL 9 1HG2 VAL 9 -7.287 5.202 -3.820 73 2HG2 VAL 9 2HG2 VAL 9 -6.518 5.615 -5.352 74 3HG2 VAL 9 3HG2 VAL 9 -5.717 6.005 -3.830 75 H LYS 10 H LYS 10 -4.926 1.942 -6.382 76 HA LYS 10 HA LYS 10 -3.528 -0.033 -4.939 77 1HB LYS 10 2HB LYS 10 -5.490 -0.381 -6.473 78 2HB LYS 10 1HB LYS 10 -4.399 -0.160 -7.830 79 1HG LYS 10 2HG LYS 10 -3.148 -2.125 -7.192 80 2HG LYS 10 1HG LYS 10 -4.142 -2.317 -5.747 81 1HD LYS 10 2HD LYS 10 -6.130 -2.561 -7.203 82 2HD LYS 10 1HD LYS 10 -5.067 -2.499 -8.609 83 1HE LYS 10 2HE LYS 10 -3.922 -4.507 -7.843 84 2HE LYS 10 1HE LYS 10 -4.938 -4.553 -6.404 85 1HZ LYS 10 1HZ LYS 10 -5.749 -6.083 -8.070 86 2HZ LYS 10 2HZ LYS 10 -5.874 -4.834 -9.210 87 3HZ LYS 10 3HZ LYS 10 -6.875 -4.838 -7.839 88 H ARG 11 H ARG 11 -2.630 2.002 -7.638 89 HA ARG 11 HA ARG 11 -0.273 0.685 -8.439 90 1HB ARG 11 2HB ARG 11 -1.324 2.474 -9.761 91 2HB ARG 11 1HB ARG 11 -0.937 3.639 -8.503 92 1HG ARG 11 2HG ARG 11 0.755 4.038 -9.982 93 2HG ARG 11 1HG ARG 11 1.522 2.838 -8.941 94 1HD ARG 11 2HD ARG 11 0.241 2.370 -11.628 95 2HD ARG 11 1HD ARG 11 1.959 2.300 -11.246 96 HE ARG 11 HE ARG 11 0.323 0.450 -9.753 97 1HH1 ARG 11 1HH1 ARG 11 2.263 0.982 -12.624 98 2HH1 ARG 11 2HH1 ARG 11 2.434 -0.716 -12.965 99 1HH2 ARG 11 1HH2 ARG 11 0.552 -1.764 -10.187 100 2HH2 ARG 11 2HH2 ARG 11 1.501 -2.281 -11.551 101 H ILE 12 H ILE 12 -0.749 3.413 -6.210 102 HA ILE 12 HA ILE 12 1.910 3.780 -5.455 103 HB ILE 12 HB ILE 12 -0.573 4.257 -3.793 104 1HG1 ILE 12 2HG1 ILE 12 0.964 6.149 -5.589 105 2HG1 ILE 12 1HG1 ILE 12 -0.570 5.392 -6.006 106 1HG2 ILE 12 1HG2 ILE 12 0.774 5.861 -2.554 107 2HG2 ILE 12 2HG2 ILE 12 2.183 5.464 -3.537 108 3HG2 ILE 12 3HG2 ILE 12 1.491 4.252 -2.457 109 1HD1 ILE 12 1HD1 ILE 12 -0.095 7.333 -3.754 110 2HD1 ILE 12 2HD1 ILE 12 -1.629 6.543 -4.120 111 3HD1 ILE 12 3HD1 ILE 12 -0.918 7.665 -5.281 112 H ALA 13 H ALA 13 -0.603 1.740 -4.035 113 HA ALA 13 HA ALA 13 0.899 0.833 -1.827 114 1HB ALA 13 1HB ALA 13 -1.393 -0.547 -3.220 115 2HB ALA 13 2HB ALA 13 -1.549 0.672 -1.955 116 3HB ALA 13 3HB ALA 13 -0.802 -0.885 -1.592 117 H LYS 14 H LYS 14 0.286 -0.635 -5.016 118 HA LYS 14 HA LYS 14 1.777 -2.978 -4.508 119 1HB LYS 14 2HB LYS 14 0.088 -2.841 -6.282 120 2HB LYS 14 1HB LYS 14 1.092 -1.695 -7.161 121 1HG LYS 14 2HG LYS 14 2.749 -3.359 -7.577 122 2HG LYS 14 1HG LYS 14 1.954 -4.499 -6.492 123 1HD LYS 14 2HD LYS 14 0.019 -4.570 -7.986 124 2HD LYS 14 1HD LYS 14 0.809 -3.421 -9.065 125 1HE LYS 14 2HE LYS 14 2.028 -6.069 -8.328 126 2HE LYS 14 1HE LYS 14 0.947 -5.872 -9.707 127 1HZ LYS 14 1HZ LYS 14 3.291 -5.737 -10.330 128 2HZ LYS 14 2HZ LYS 14 3.498 -4.394 -9.321 129 3HZ LYS 14 3HZ LYS 14 2.474 -4.294 -10.667 130 H GLU 15 H GLU 15 2.643 0.086 -6.084 131 HA GLU 15 HA GLU 15 5.237 -0.658 -6.875 132 1HB GLU 15 2HB GLU 15 4.032 1.343 -7.711 133 2HB GLU 15 1HB GLU 15 4.228 2.099 -6.136 134 1HG GLU 15 2HG GLU 15 6.676 1.981 -6.428 135 2HG GLU 15 1HG GLU 15 6.422 1.332 -8.047 136 H MET 16 H MET 16 3.979 0.729 -3.899 137 HA MET 16 HA MET 16 6.338 1.369 -2.555 138 1HB MET 16 2HB MET 16 3.868 1.745 -1.897 139 2HB MET 16 1HB MET 16 3.954 0.140 -1.187 140 1HG MET 16 2HG MET 16 4.329 1.849 0.484 141 2HG MET 16 1HG MET 16 5.777 0.870 0.255 142 1HE MET 16 1HE MET 16 4.024 4.242 -0.863 143 2HE MET 16 2HE MET 16 4.616 3.521 -2.358 144 3HE MET 16 3HE MET 16 5.345 5.005 -1.743 145 H ILE 17 H ILE 17 4.523 -1.686 -2.608 146 HA ILE 17 HA ILE 17 6.435 -3.078 -0.985 147 HB ILE 17 HB ILE 17 4.257 -4.243 -2.721 148 1HG1 ILE 17 2HG1 ILE 17 4.175 -3.511 0.215 149 2HG1 ILE 17 1HG1 ILE 17 3.389 -2.606 -1.078 150 1HG2 ILE 17 1HG2 ILE 17 5.770 -5.391 -0.376 151 2HG2 ILE 17 2HG2 ILE 17 5.930 -5.874 -2.065 152 3HG2 ILE 17 3HG2 ILE 17 4.419 -6.170 -1.203 153 1HD1 ILE 17 1HD1 ILE 17 2.770 -5.406 -0.177 154 2HD1 ILE 17 2HD1 ILE 17 2.062 -4.638 -1.597 155 3HD1 ILE 17 3HD1 ILE 17 1.761 -3.970 0.005 156 H GLU 18 H GLU 18 5.585 -3.125 -4.432 157 HA GLU 18 HA GLU 18 7.090 -5.400 -5.070 158 1HB GLU 18 2HB GLU 18 5.223 -4.615 -6.417 159 2HB GLU 18 1HB GLU 18 6.122 -3.168 -6.850 160 1HG GLU 18 2HG GLU 18 7.661 -4.400 -8.149 161 2HG GLU 18 1HG GLU 18 7.061 -5.939 -7.527 162 H THR 19 H THR 19 8.047 -2.059 -4.850 163 HA THR 19 HA THR 19 10.382 -2.150 -6.400 164 HB THR 19 HB THR 19 11.148 -0.349 -4.656 165 HG1 THR 19 1HG THR 19 8.384 -0.142 -4.170 166 1HG2 THR 19 1HG2 THR 19 10.404 0.138 -6.942 167 2HG2 THR 19 2HG2 THR 19 9.775 1.328 -5.802 168 3HG2 THR 19 3HG2 THR 19 8.725 0.053 -6.415 169 H HIS 20 H HIS 20 9.651 -3.472 -3.292 170 HA HIS 20 HA HIS 20 12.234 -4.793 -3.332 171 1HB HIS 20 2HB HIS 20 12.712 -4.391 -0.973 172 2HB HIS 20 1HB HIS 20 12.619 -2.870 -1.843 173 HD1 HIS 20 1HD HIS 20 10.037 -1.720 -1.577 174 HD2 HIS 20 2HD HIS 20 11.400 -4.329 1.356 175 HE1 HIS 20 1HE HIS 20 8.648 -1.233 0.460 176 HE2 HIS 20 2HE HIS 20 9.587 -2.736 2.262 177 HA PRO 21 HA PRO 21 8.718 -7.606 -2.911 178 1HB PRO 21 2HB PRO 21 9.991 -9.768 -3.962 179 2HB PRO 21 1HB PRO 21 9.275 -8.487 -4.951 180 1HG PRO 21 2HG PRO 21 12.130 -8.886 -4.138 181 2HG PRO 21 1HG PRO 21 11.469 -8.428 -5.720 182 1HD PRO 21 2HD PRO 21 12.528 -6.608 -4.030 183 2HD PRO 21 1HD PRO 21 11.163 -6.226 -5.099 184 H GLY 22 H GLY 22 8.316 -9.609 -1.796 185 1HA GLY 22 2HA GLY 22 9.542 -11.427 -0.504 186 2HA GLY 22 1HA GLY 22 10.255 -10.079 0.371 187 H LYS 23 H LYS 23 8.385 -8.442 1.062 188 HA LYS 23 HA LYS 23 6.812 -8.050 2.648 189 1HB LYS 23 2HB LYS 23 5.540 -10.592 1.596 190 2HB LYS 23 1HB LYS 23 4.768 -9.442 2.673 191 1HG LYS 23 2HG LYS 23 5.098 -7.715 0.847 192 2HG LYS 23 1HG LYS 23 5.526 -9.065 -0.209 193 1HD LYS 23 2HD LYS 23 3.353 -10.124 0.348 194 2HD LYS 23 1HD LYS 23 2.927 -8.688 1.278 195 1HE LYS 23 2HE LYS 23 1.886 -8.440 -0.826 196 2HE LYS 23 1HE LYS 23 3.280 -7.365 -0.844 197 1HZ LYS 23 1HZ LYS 23 2.899 -8.774 -2.892 198 2HZ LYS 23 2HZ LYS 23 3.390 -10.103 -1.960 199 3HZ LYS 23 3HZ LYS 23 4.464 -8.818 -2.235 200 H PHE 24 H PHE 24 5.370 -9.982 4.263 201 HA PHE 24 HA PHE 24 7.309 -11.775 5.396 202 1HB PHE 24 2HB PHE 24 7.942 -9.523 6.332 203 2HB PHE 24 1HB PHE 24 6.364 -9.469 7.110 204 HD1 PHE 24 1HD PHE 24 6.136 -10.282 9.256 205 HD2 PHE 24 2HD PHE 24 9.395 -11.614 6.862 206 HE1 PHE 24 1HE PHE 24 7.058 -11.494 11.189 207 HE2 PHE 24 2HE PHE 24 10.319 -12.827 8.791 208 HZ PHE 24 HZ PHE 24 9.150 -12.770 10.957 209 H THR 25 H THR 25 4.571 -9.992 6.804 210 HA THR 25 HA THR 25 2.811 -12.279 6.551 211 HB THR 25 HB THR 25 3.551 -11.218 9.299 212 HG1 THR 25 1HG THR 25 4.665 -13.153 7.748 213 1HG2 THR 25 1HG2 THR 25 2.195 -13.083 10.144 214 2HG2 THR 25 2HG2 THR 25 1.762 -13.514 8.488 215 3HG2 THR 25 3HG2 THR 25 1.229 -11.977 9.164 216 H ASP 26 H ASP 26 0.556 -11.668 7.260 217 HA ASP 26 HA ASP 26 0.043 -8.939 6.519 218 1HB ASP 26 2HB ASP 26 -2.350 -9.563 6.755 219 2HB ASP 26 1HB ASP 26 -1.455 -10.636 5.689 220 H ASP 27 H ASP 27 1.314 -8.134 8.340 221 HA ASP 27 HA ASP 27 -0.447 -7.578 10.615 222 1HB ASP 27 2HB ASP 27 1.188 -9.317 11.317 223 2HB ASP 27 1HB ASP 27 2.501 -8.233 10.867 224 H PHE 28 H PHE 28 0.148 -5.583 11.736 225 HA PHE 28 HA PHE 28 0.515 -3.503 9.889 226 1HB PHE 28 2HB PHE 28 0.621 -3.432 12.909 227 2HB PHE 28 1HB PHE 28 0.513 -2.014 11.868 228 HD1 PHE 28 1HD PHE 28 -1.296 -4.627 13.523 229 HD2 PHE 28 2HD PHE 28 -1.509 -1.759 10.385 230 HE1 PHE 28 1HE PHE 28 -3.746 -4.845 13.498 231 HE2 PHE 28 2HE PHE 28 -3.962 -1.966 10.360 232 HZ PHE 28 HZ PHE 28 -5.082 -3.512 11.912 233 H ASP 29 H ASP 29 2.750 -5.194 11.948 234 HA ASP 29 HA ASP 29 4.907 -3.405 11.892 235 1HB ASP 29 2HB ASP 29 4.919 -5.316 13.363 236 2HB ASP 29 1HB ASP 29 4.824 -6.424 12.000 237 H THR 30 H THR 30 3.938 -5.959 9.656 238 HA THR 30 HA THR 30 6.207 -5.804 7.987 239 HB THR 30 HB THR 30 3.449 -6.857 7.352 240 HG1 THR 30 1HG THR 30 5.269 -7.724 9.051 241 1HG2 THR 30 1HG2 THR 30 4.782 -6.427 5.327 242 2HG2 THR 30 2HG2 THR 30 4.562 -8.157 5.603 243 3HG2 THR 30 3HG2 THR 30 6.099 -7.390 5.999 244 H ASN 31 H ASN 31 2.902 -4.455 7.573 245 HA ASN 31 HA ASN 31 3.519 -3.265 5.077 246 1HB ASN 31 2HB ASN 31 1.446 -1.966 5.329 247 2HB ASN 31 1HB ASN 31 1.200 -3.674 5.661 248 1HD2 ASN 31 1HD2 ASN 31 1.456 -0.487 7.088 249 2HD2 ASN 31 2HD2 ASN 31 0.654 -0.891 8.562 250 H LYS 32 H LYS 32 3.936 -2.210 8.362 251 HA LYS 32 HA LYS 32 4.344 0.531 7.929 252 1HB LYS 32 2HB LYS 32 4.142 -0.622 10.165 253 2HB LYS 32 1HB LYS 32 5.792 -1.193 9.952 254 1HG LYS 32 2HG LYS 32 6.537 1.159 9.801 255 2HG LYS 32 1HG LYS 32 4.882 1.665 10.155 256 1HD LYS 32 2HD LYS 32 5.010 0.372 12.277 257 2HD LYS 32 1HD LYS 32 6.714 0.059 11.936 258 1HE LYS 32 2HE LYS 32 5.402 2.742 12.341 259 2HE LYS 32 1HE LYS 32 6.526 1.938 13.435 260 1HZ LYS 32 1HZ LYS 32 7.606 3.672 12.127 261 2HZ LYS 32 2HZ LYS 32 7.177 2.887 10.688 262 3HZ LYS 32 3HZ LYS 32 8.261 2.150 11.773 263 H LYS 33 H LYS 33 6.631 -2.182 7.963 264 HA LYS 33 HA LYS 33 8.935 -0.676 7.366 265 1HB LYS 33 2HB LYS 33 8.360 -3.587 6.783 266 2HB LYS 33 1HB LYS 33 9.951 -2.841 6.761 267 1HG LYS 33 2HG LYS 33 9.825 -2.399 9.127 268 2HG LYS 33 1HG LYS 33 8.168 -3.003 9.182 269 1HD LYS 33 2HD LYS 33 9.642 -4.716 10.001 270 2HD LYS 33 1HD LYS 33 9.016 -5.218 8.429 271 1HE LYS 33 2HE LYS 33 11.365 -5.711 8.524 272 2HE LYS 33 1HE LYS 33 11.104 -4.391 7.387 273 1HZ LYS 33 1HZ LYS 33 13.008 -3.969 8.803 274 2HZ LYS 33 2HZ LYS 33 12.048 -4.105 10.192 275 3HZ LYS 33 3HZ LYS 33 11.794 -2.826 9.106 276 H LEU 34 H LEU 34 6.479 -2.140 5.345 277 HA LEU 34 HA LEU 34 7.900 -1.981 2.897 278 1HB LEU 34 2HB LEU 34 4.932 -2.115 3.435 279 2HB LEU 34 1HB LEU 34 5.663 -2.303 1.853 280 HG LEU 34 HG LEU 34 6.129 -4.140 4.207 281 1HD1 LEU 34 1HD1 LEU 34 4.808 -5.758 2.935 282 2HD1 LEU 34 2HD1 LEU 34 4.477 -4.530 1.715 283 3HD1 LEU 34 3HD1 LEU 34 3.857 -4.333 3.354 284 1HD2 LEU 34 1HD2 LEU 34 6.984 -4.375 1.323 285 2HD2 LEU 34 2HD2 LEU 34 7.245 -5.578 2.585 286 3HD2 LEU 34 3HD2 LEU 34 8.044 -4.011 2.684 287 H VAL 35 H VAL 35 5.575 0.173 4.486 288 HA VAL 35 HA VAL 35 5.450 1.947 2.230 289 HB VAL 35 HB VAL 35 4.435 2.388 5.046 290 1HG1 VAL 35 1HG1 VAL 35 2.946 4.043 3.954 291 2HG1 VAL 35 2HG1 VAL 35 3.855 3.823 2.459 292 3HG1 VAL 35 3HG1 VAL 35 4.653 4.483 3.887 293 1HG2 VAL 35 1HG2 VAL 35 3.431 0.420 4.004 294 2HG2 VAL 35 2HG2 VAL 35 2.996 1.380 2.590 295 3HG2 VAL 35 3HG2 VAL 35 2.255 1.727 4.154 296 H GLU 36 H GLU 36 6.990 2.066 5.439 297 HA GLU 36 HA GLU 36 7.997 4.669 5.287 298 1HB GLU 36 2HB GLU 36 8.562 2.278 6.894 299 2HB GLU 36 1HB GLU 36 9.929 3.368 6.717 300 1HG GLU 36 2HG GLU 36 8.874 4.055 8.669 301 2HG GLU 36 1HG GLU 36 8.348 5.214 7.451 302 H GLU 37 H GLU 37 8.966 1.858 3.602 303 HA GLU 37 HA GLU 37 11.725 2.372 3.348 304 1HB GLU 37 2HB GLU 37 10.524 0.181 2.923 305 2HB GLU 37 1HB GLU 37 10.022 0.852 1.376 306 1HG GLU 37 2HG GLU 37 11.924 -0.477 0.953 307 2HG GLU 37 1HG GLU 37 12.451 1.203 0.852 308 H PHE 38 H PHE 38 8.945 3.357 1.379 309 HA PHE 38 HA PHE 38 10.828 4.887 -0.288 310 1HB PHE 38 2HB PHE 38 8.463 3.251 -1.188 311 2HB PHE 38 1HB PHE 38 9.184 4.503 -2.197 312 HD1 PHE 38 1HD PHE 38 11.365 4.213 -3.172 313 HD2 PHE 38 2HD PHE 38 9.660 1.201 -0.701 314 HE1 PHE 38 1HE PHE 38 13.059 2.610 -3.958 315 HE2 PHE 38 2HE PHE 38 11.350 -0.404 -1.483 316 HZ PHE 38 HZ PHE 38 13.056 0.300 -3.113 317 H SER 39 H SER 39 7.365 4.662 0.565 318 HA SER 39 HA SER 39 6.527 7.132 -0.283 319 1HB SER 39 2HB SER 39 5.083 5.357 0.727 320 2HB SER 39 1HB SER 39 5.659 5.854 2.316 321 HG SER 39 HG SER 39 3.624 6.815 1.585 322 H THR 40 H THR 40 7.464 9.023 0.010 323 HA THR 40 HA THR 40 8.259 9.806 2.735 324 HB THR 40 HB THR 40 10.245 9.470 1.323 325 HG1 THR 40 1HG THR 40 9.858 11.453 2.832 326 1HG2 THR 40 1HG2 THR 40 9.044 11.598 -0.449 327 2HG2 THR 40 2HG2 THR 40 9.282 9.901 -0.866 328 3HG2 THR 40 3HG2 THR 40 10.677 10.949 -0.599 329 H VAL 41 H VAL 41 5.869 10.143 0.780 330 HA VAL 41 HA VAL 41 5.719 13.016 0.452 331 HB VAL 41 HB VAL 41 4.838 11.304 -1.207 332 1HG1 VAL 41 1HG1 VAL 41 2.648 11.035 0.837 333 2HG1 VAL 41 2HG1 VAL 41 3.737 9.771 0.264 334 3HG1 VAL 41 3HG1 VAL 41 2.548 10.471 -0.833 335 1HG2 VAL 41 1HG2 VAL 41 4.265 13.649 -1.398 336 2HG2 VAL 41 2HG2 VAL 41 2.931 13.437 -0.266 337 3HG2 VAL 41 3HG2 VAL 41 2.884 12.642 -1.837 338 H SER 42 H SER 42 2.968 13.438 1.025 339 HA SER 42 HA SER 42 2.906 14.216 3.640 340 1HB SER 42 2HB SER 42 0.497 13.241 2.089 341 2HB SER 42 1HB SER 42 0.515 14.432 3.392 342 HG SER 42 HG SER 42 0.728 15.822 1.830 343 H THR 43 H THR 43 3.240 13.054 5.388 344 HA THR 43 HA THR 43 2.830 10.187 5.325 345 HB THR 43 HB THR 43 4.024 11.884 7.508 346 HG1 THR 43 1HG THR 43 4.937 11.353 5.013 347 1HG2 THR 43 1HG2 THR 43 3.472 9.605 8.192 348 2HG2 THR 43 2HG2 THR 43 5.219 9.832 8.115 349 3HG2 THR 43 3HG2 THR 43 4.384 8.966 6.825 350 H LYS 44 H LYS 44 1.625 12.988 7.057 351 HA LYS 44 HA LYS 44 0.876 12.352 9.458 352 1HB LYS 44 2HB LYS 44 -1.131 13.555 7.556 353 2HB LYS 44 1HB LYS 44 -1.124 13.726 9.305 354 1HG LYS 44 2HG LYS 44 0.896 14.811 7.358 355 2HG LYS 44 1HG LYS 44 -0.237 15.725 8.354 356 1HD LYS 44 2HD LYS 44 1.943 13.961 9.471 357 2HD LYS 44 1HD LYS 44 2.126 15.695 9.198 358 1HE LYS 44 2HE LYS 44 -0.017 14.486 10.942 359 2HE LYS 44 1HE LYS 44 1.541 15.046 11.552 360 1HZ LYS 44 1HZ LYS 44 0.013 16.799 11.862 361 2HZ LYS 44 2HZ LYS 44 -0.601 16.662 10.288 362 3HZ LYS 44 3HZ LYS 44 0.972 17.251 10.536 363 H HIS 45 H HIS 45 -1.962 11.907 7.376 364 HA HIS 45 HA HIS 45 -2.162 9.169 8.428 365 1HB HIS 45 2HB HIS 45 -4.153 11.344 8.614 366 2HB HIS 45 1HB HIS 45 -4.782 9.760 8.169 367 HD1 HIS 45 1HD HIS 45 -5.694 8.686 10.205 368 HD2 HIS 45 2HD HIS 45 -2.167 10.754 10.995 369 HE1 HIS 45 1HE HIS 45 -5.166 8.242 12.622 370 HE2 HIS 45 2HE HIS 45 -2.933 9.330 13.015 371 H LEU 46 H LEU 46 -1.706 10.899 5.765 372 HA LEU 46 HA LEU 46 -3.467 9.621 3.905 373 1HB LEU 46 2HB LEU 46 -2.315 11.770 3.447 374 2HB LEU 46 1HB LEU 46 -0.778 10.926 3.434 375 HG LEU 46 HG LEU 46 -1.565 9.603 1.476 376 1HD1 LEU 46 1HD1 LEU 46 -3.538 10.403 0.253 377 2HD1 LEU 46 2HD1 LEU 46 -3.917 11.483 1.594 378 3HD1 LEU 46 3HD1 LEU 46 -3.954 9.735 1.830 379 1HD2 LEU 46 1HD2 LEU 46 -1.346 11.412 -0.144 380 2HD2 LEU 46 2HD2 LEU 46 -0.192 11.602 1.178 381 3HD2 LEU 46 3HD2 LEU 46 -1.648 12.595 1.128 382 H ARG 47 H ARG 47 -0.177 9.128 5.007 383 HA ARG 47 HA ARG 47 0.417 6.839 3.470 384 1HB ARG 47 2HB ARG 47 2.280 7.893 4.335 385 2HB ARG 47 1HB ARG 47 1.533 8.169 5.899 386 1HG ARG 47 2HG ARG 47 1.759 5.744 6.375 387 2HG ARG 47 1HG ARG 47 2.644 5.579 4.856 388 1HD ARG 47 2HD ARG 47 4.453 6.771 5.618 389 2HD ARG 47 1HD ARG 47 3.506 7.645 6.817 390 HE ARG 47 HE ARG 47 4.804 5.071 7.128 391 1HH1 ARG 47 1HH1 ARG 47 2.282 7.199 8.330 392 2HH1 ARG 47 2HH1 ARG 47 2.341 6.573 9.940 393 1HH2 ARG 47 1HH2 ARG 47 4.929 4.276 9.260 394 2HH2 ARG 47 2HH2 ARG 47 3.863 4.917 10.479 395 H ASN 48 H ASN 48 -1.067 7.298 6.633 396 HA ASN 48 HA ASN 48 -1.052 4.638 7.512 397 1HB ASN 48 2HB ASN 48 -3.031 6.855 8.084 398 2HB ASN 48 1HB ASN 48 -3.002 5.315 8.935 399 1HD2 ASN 48 1HD2 ASN 48 -2.609 6.279 10.904 400 2HD2 ASN 48 2HD2 ASN 48 -1.090 6.999 11.318 401 H LYS 49 H LYS 49 -3.334 6.418 5.512 402 HA LYS 49 HA LYS 49 -5.321 4.443 5.297 403 1HB LYS 49 2HB LYS 49 -5.371 6.918 4.573 404 2HB LYS 49 1HB LYS 49 -4.593 6.367 3.098 405 1HG LYS 49 2HG LYS 49 -6.924 6.526 2.674 406 2HG LYS 49 1HG LYS 49 -6.511 4.809 2.752 407 1HD LYS 49 2HD LYS 49 -7.334 4.692 5.034 408 2HD LYS 49 1HD LYS 49 -7.682 6.421 5.019 409 1HE LYS 49 2HE LYS 49 -9.306 6.055 3.204 410 2HE LYS 49 1HE LYS 49 -8.972 4.324 3.276 411 1HZ LYS 49 1HZ LYS 49 -9.747 4.313 5.574 412 2HZ LYS 49 2HZ LYS 49 -10.958 4.869 4.523 413 3HZ LYS 49 3HZ LYS 49 -10.091 5.971 5.479 414 H ILE 50 H ILE 50 -2.510 5.197 3.260 415 HA ILE 50 HA ILE 50 -2.862 3.155 1.360 416 HB ILE 50 HB ILE 50 -0.260 4.391 2.291 417 1HG1 ILE 50 2HG1 ILE 50 -2.056 5.173 -0.015 418 2HG1 ILE 50 1HG1 ILE 50 -1.945 6.041 1.512 419 1HG2 ILE 50 1HG2 ILE 50 0.599 3.744 0.091 420 2HG2 ILE 50 2HG2 ILE 50 -0.926 2.937 -0.265 421 3HG2 ILE 50 3HG2 ILE 50 0.104 2.342 1.035 422 1HD1 ILE 50 1HD1 ILE 50 0.271 5.677 -0.492 423 2HD1 ILE 50 2HD1 ILE 50 0.418 6.511 1.055 424 3HD1 ILE 50 3HD1 ILE 50 -0.648 7.153 -0.195 425 H ALA 51 H ALA 51 -1.132 3.229 4.436 426 HA ALA 51 HA ALA 51 0.120 0.733 4.296 427 1HB ALA 51 1HB ALA 51 0.711 2.397 5.963 428 2HB ALA 51 2HB ALA 51 0.272 0.877 6.745 429 3HB ALA 51 3HB ALA 51 -0.869 2.222 6.726 430 H GLY 52 H GLY 52 -3.132 1.618 5.351 431 1HA GLY 52 2HA GLY 52 -3.884 -0.929 6.328 432 2HA GLY 52 1HA GLY 52 -4.985 0.328 5.783 433 H TYR 53 H TYR 53 -4.015 0.533 3.117 434 HA TYR 53 HA TYR 53 -5.436 -1.602 1.895 435 1HB TYR 53 2HB TYR 53 -5.118 0.758 0.983 436 2HB TYR 53 1HB TYR 53 -3.505 0.249 0.495 437 HD1 TYR 53 1HD TYR 53 -3.179 -1.090 -1.460 438 HD2 TYR 53 2HD TYR 53 -7.112 -0.340 -0.027 439 HE1 TYR 53 1HE TYR 53 -4.106 -2.007 -3.546 440 HE2 TYR 53 2HE TYR 53 -8.050 -1.254 -2.107 441 HH TYR 53 HH TYR 53 -6.269 -3.055 -4.298 442 H ILE 54 H ILE 54 -2.076 -0.989 2.606 443 HA ILE 54 HA ILE 54 -0.870 -2.978 1.049 444 HB ILE 54 HB ILE 54 -0.040 -1.947 3.767 445 1HG1 ILE 54 2HG1 ILE 54 -0.193 -0.239 1.978 446 2HG1 ILE 54 1HG1 ILE 54 1.461 -0.488 2.530 447 1HG2 ILE 54 1HG2 ILE 54 1.559 -3.494 1.733 448 2HG2 ILE 54 2HG2 ILE 54 1.001 -4.106 3.289 449 3HG2 ILE 54 3HG2 ILE 54 2.185 -2.801 3.226 450 1HD1 ILE 54 1HD1 ILE 54 1.349 -0.262 0.116 451 2HD1 ILE 54 2HD1 ILE 54 0.241 -1.633 0.033 452 3HD1 ILE 54 3HD1 ILE 54 1.900 -1.873 0.580 453 H THR 55 H THR 55 -2.047 -3.141 4.423 454 HA THR 55 HA THR 55 -1.435 -5.837 4.829 455 HB THR 55 HB THR 55 -3.830 -5.180 6.252 456 HG1 THR 55 1HG THR 55 -1.936 -3.206 6.800 457 1HG2 THR 55 1HG2 THR 55 -2.311 -5.277 8.171 458 2HG2 THR 55 2HG2 THR 55 -0.926 -5.209 7.081 459 3HG2 THR 55 3HG2 THR 55 -2.004 -6.606 7.053 460 H ARG 56 H ARG 56 -4.214 -4.292 3.324 461 HA ARG 56 HA ARG 56 -5.824 -6.589 3.020 462 1HB ARG 56 2HB ARG 56 -5.640 -4.036 1.431 463 2HB ARG 56 1HB ARG 56 -6.805 -5.298 1.058 464 1HG ARG 56 2HG ARG 56 -7.793 -5.070 3.263 465 2HG ARG 56 1HG ARG 56 -6.595 -3.846 3.687 466 1HD ARG 56 2HD ARG 56 -8.758 -2.867 3.052 467 2HD ARG 56 1HD ARG 56 -7.457 -2.370 1.972 468 HE ARG 56 HE ARG 56 -8.450 -3.558 0.248 469 1HH1 ARG 56 1HH1 ARG 56 -10.131 -4.161 3.255 470 2HH1 ARG 56 2HH1 ARG 56 -11.520 -4.870 2.490 471 1HH2 ARG 56 1HH2 ARG 56 -10.279 -4.466 -0.781 472 2HH2 ARG 56 2HH2 ARG 56 -11.588 -5.087 0.189 473 H ILE 57 H ILE 57 -3.402 -5.146 0.812 474 HA ILE 57 HA ILE 57 -3.838 -7.108 -1.202 475 HB ILE 57 HB ILE 57 -2.841 -4.839 -1.631 476 1HG1 ILE 57 2HG1 ILE 57 -1.229 -7.199 -2.630 477 2HG1 ILE 57 1HG1 ILE 57 -2.774 -6.674 -3.289 478 1HG2 ILE 57 1HG2 ILE 57 -0.325 -6.100 -0.565 479 2HG2 ILE 57 2HG2 ILE 57 -1.238 -4.804 0.208 480 3HG2 ILE 57 3HG2 ILE 57 -0.454 -4.523 -1.347 481 1HD1 ILE 57 1HD1 ILE 57 -0.915 -5.929 -4.665 482 2HD1 ILE 57 2HD1 ILE 57 -0.232 -5.065 -3.288 483 3HD1 ILE 57 3HD1 ILE 57 -1.778 -4.560 -3.966 484 H ILE 58 H ILE 58 -1.780 -6.978 1.621 485 HA ILE 58 HA ILE 58 -0.118 -9.174 0.983 486 HB ILE 58 HB ILE 58 -1.041 -8.247 3.715 487 1HG1 ILE 58 2HG1 ILE 58 1.531 -7.690 2.216 488 2HG1 ILE 58 1HG1 ILE 58 0.204 -6.548 2.401 489 1HG2 ILE 58 1HG2 ILE 58 -0.244 -10.557 3.753 490 2HG2 ILE 58 2HG2 ILE 58 0.886 -9.481 4.579 491 3HG2 ILE 58 3HG2 ILE 58 1.249 -10.060 2.953 492 1HD1 ILE 58 1HD1 ILE 58 1.853 -7.699 4.641 493 2HD1 ILE 58 2HD1 ILE 58 0.542 -6.529 4.809 494 3HD1 ILE 58 3HD1 ILE 58 2.017 -6.083 3.953 495 H SER 59 H SER 59 -3.211 -8.988 2.760 496 HA SER 59 HA SER 59 -3.467 -11.783 3.102 497 1HB SER 59 2HB SER 59 -5.866 -11.287 3.589 498 2HB SER 59 1HB SER 59 -4.739 -10.304 4.518 499 HG SER 59 HG SER 59 -5.331 -9.046 2.220 500 H GLN 60 H GLN 60 -3.882 -9.790 0.352 501 HA GLN 60 HA GLN 60 -5.655 -11.547 -1.053 502 1HB GLN 60 2HB GLN 60 -5.482 -9.178 -1.681 503 2HB GLN 60 1HB GLN 60 -3.795 -9.412 -2.128 504 1HG GLN 60 2HG GLN 60 -4.509 -11.022 -3.849 505 2HG GLN 60 1HG GLN 60 -6.185 -10.696 -3.428 506 1HE2 GLN 60 1HE2 GLN 60 -6.655 -10.008 -5.478 507 2HE2 GLN 60 2HE2 GLN 60 -6.130 -8.475 -6.096 508 H GLN 61 H GLN 61 -2.173 -11.194 -0.730 509 HA GLN 61 HA GLN 61 -1.577 -13.167 -2.731 510 1HB GLN 61 2HB GLN 61 0.053 -11.411 -2.095 511 2HB GLN 61 1HB GLN 61 0.187 -12.138 -0.499 512 1HG GLN 61 2HG GLN 61 0.936 -14.247 -1.626 513 2HG GLN 61 1HG GLN 61 1.005 -13.335 -3.130 514 1HE2 GLN 61 1HE2 GLN 61 3.119 -14.684 -1.672 515 2HE2 GLN 61 2HE2 GLN 61 4.310 -13.480 -1.324 516 H LYS 62 H LYS 62 -1.748 -13.126 0.805 517 HA LYS 62 HA LYS 62 -1.122 -15.957 0.946 518 1HB LYS 62 2HB LYS 62 -0.246 -14.320 2.626 519 2HB LYS 62 1HB LYS 62 -1.896 -14.061 3.174 520 1HG LYS 62 2HG LYS 62 -0.815 -15.594 4.661 521 2HG LYS 62 1HG LYS 62 -2.045 -16.464 3.742 522 1HD LYS 62 2HD LYS 62 -0.202 -17.159 2.163 523 2HD LYS 62 1HD LYS 62 0.939 -16.498 3.336 524 1HE LYS 62 2HE LYS 62 -1.031 -18.737 3.783 525 2HE LYS 62 1HE LYS 62 0.722 -18.879 3.667 526 1HZ LYS 62 1HZ LYS 62 -0.772 -17.443 5.800 527 2HZ LYS 62 2HZ LYS 62 0.918 -17.540 5.686 528 3HZ LYS 62 3HZ LYS 62 0.004 -18.941 5.960 Start of MODEL 3 1 1H MET 1 1HT MET 1 -15.722 -3.637 -18.196 2 2H MET 1 2HT MET 1 -16.759 -4.559 -17.225 3 3H MET 1 3HT MET 1 -15.093 -4.886 -17.233 4 HA MET 1 HA MET 1 -16.433 -2.462 -16.184 5 1HB MET 1 2HB MET 1 -14.800 -4.615 -14.819 6 2HB MET 1 1HB MET 1 -15.424 -3.172 -14.037 7 1HG MET 1 2HG MET 1 -17.705 -3.918 -14.493 8 2HG MET 1 1HG MET 1 -17.068 -5.374 -15.257 9 1HE MET 1 1HE MET 1 -14.570 -5.997 -13.343 10 2HE MET 1 2HE MET 1 -15.674 -7.246 -13.924 11 3HE MET 1 3HE MET 1 -15.300 -7.129 -12.204 12 H GLY 2 H GLY 2 -14.943 -0.963 -15.123 13 1HA GLY 2 2HA GLY 2 -12.130 -1.181 -15.784 14 2HA GLY 2 1HA GLY 2 -12.993 0.109 -16.610 15 H ASN 3 H ASN 3 -12.085 -1.154 -13.464 16 HA ASN 3 HA ASN 3 -12.956 1.100 -11.973 17 1HB ASN 3 2HB ASN 3 -11.278 0.102 -10.250 18 2HB ASN 3 1HB ASN 3 -12.719 -0.816 -10.673 19 1HD2 ASN 3 1HD2 ASN 3 -9.266 -0.662 -10.845 20 2HD2 ASN 3 2HD2 ASN 3 -9.030 -2.243 -11.512 21 H ILE 4 H ILE 4 -12.207 3.028 -12.572 22 HA ILE 4 HA ILE 4 -9.378 3.289 -13.219 23 HB ILE 4 HB ILE 4 -10.731 4.153 -14.937 24 1HG1 ILE 4 2HG1 ILE 4 -9.779 6.514 -13.304 25 2HG1 ILE 4 1HG1 ILE 4 -8.774 5.536 -14.372 26 1HG2 ILE 4 1HG2 ILE 4 -12.484 5.794 -14.663 27 2HG2 ILE 4 2HG2 ILE 4 -12.199 5.849 -12.925 28 3HG2 ILE 4 3HG2 ILE 4 -12.817 4.375 -13.671 29 1HD1 ILE 4 1HD1 ILE 4 -11.110 7.245 -15.199 30 2HD1 ILE 4 2HD1 ILE 4 -10.133 6.249 -16.278 31 3HD1 ILE 4 3HD1 ILE 4 -9.402 7.616 -15.437 32 H ARG 5 H ARG 5 -11.773 5.206 -11.320 33 HA ARG 5 HA ARG 5 -9.550 6.668 -10.160 34 1HB ARG 5 2HB ARG 5 -11.720 7.733 -11.002 35 2HB ARG 5 1HB ARG 5 -12.458 7.111 -9.530 36 1HG ARG 5 2HG ARG 5 -10.919 8.402 -8.177 37 2HG ARG 5 1HG ARG 5 -10.087 8.967 -9.627 38 1HD ARG 5 2HD ARG 5 -11.511 10.728 -9.028 39 2HD ARG 5 1HD ARG 5 -12.336 9.911 -10.351 40 HE ARG 5 HE ARG 5 -13.080 9.116 -7.648 41 1HH1 ARG 5 1HH1 ARG 5 -13.843 10.921 -10.553 42 2HH1 ARG 5 2HH1 ARG 5 -15.483 11.262 -10.071 43 1HH2 ARG 5 1HH2 ARG 5 -15.231 9.590 -6.988 44 2HH2 ARG 5 2HH2 ARG 5 -16.251 10.544 -8.023 45 H THR 6 H THR 6 -8.982 4.475 -9.181 46 HA THR 6 HA THR 6 -9.335 4.725 -6.383 47 HB THR 6 HB THR 6 -11.455 3.646 -6.660 48 HG1 THR 6 1HG THR 6 -10.058 2.848 -4.943 49 1HG2 THR 6 1HG2 THR 6 -11.708 1.446 -7.741 50 2HG2 THR 6 2HG2 THR 6 -10.016 1.509 -8.237 51 3HG2 THR 6 3HG2 THR 6 -11.166 2.682 -8.878 52 H SER 7 H SER 7 -8.389 2.689 -9.095 53 HA SER 7 HA SER 7 -6.577 1.086 -7.609 54 1HB SER 7 2HB SER 7 -6.745 1.518 -10.595 55 2HB SER 7 1HB SER 7 -5.931 0.184 -9.776 56 HG SER 7 HG SER 7 -7.846 -0.662 -9.194 57 H PHE 8 H PHE 8 -6.332 4.277 -8.529 58 HA PHE 8 HA PHE 8 -3.662 4.482 -9.377 59 1HB PHE 8 2HB PHE 8 -5.362 6.453 -7.839 60 2HB PHE 8 1HB PHE 8 -3.790 6.832 -8.527 61 HD1 PHE 8 1HD PHE 8 -3.597 6.184 -11.117 62 HD2 PHE 8 2HD PHE 8 -7.210 7.060 -9.039 63 HE1 PHE 8 1HE PHE 8 -4.666 6.800 -13.245 64 HE2 PHE 8 2HE PHE 8 -8.286 7.676 -11.167 65 HZ PHE 8 HZ PHE 8 -7.013 7.545 -13.271 66 H VAL 9 H VAL 9 -5.027 5.014 -6.132 67 HA VAL 9 HA VAL 9 -2.542 5.170 -4.798 68 HB VAL 9 HB VAL 9 -5.219 4.370 -3.635 69 1HG1 VAL 9 1HG1 VAL 9 -2.782 5.553 -2.314 70 2HG1 VAL 9 2HG1 VAL 9 -3.331 3.884 -2.160 71 3HG1 VAL 9 3HG1 VAL 9 -4.320 5.201 -1.526 72 1HG2 VAL 9 1HG2 VAL 9 -5.382 6.496 -4.824 73 2HG2 VAL 9 2HG2 VAL 9 -3.989 7.109 -3.935 74 3HG2 VAL 9 3HG2 VAL 9 -5.488 6.747 -3.081 75 H LYS 10 H LYS 10 -4.738 2.529 -5.509 76 HA LYS 10 HA LYS 10 -3.570 0.543 -3.916 77 1HB LYS 10 2HB LYS 10 -5.798 0.428 -5.069 78 2HB LYS 10 1HB LYS 10 -4.945 0.163 -6.582 79 1HG LYS 10 2HG LYS 10 -3.962 -1.893 -5.626 80 2HG LYS 10 1HG LYS 10 -4.927 -1.640 -4.168 81 1HD LYS 10 2HD LYS 10 -6.970 -1.691 -5.570 82 2HD LYS 10 1HD LYS 10 -5.964 -2.082 -6.966 83 1HE LYS 10 2HE LYS 10 -5.183 -4.108 -5.776 84 2HE LYS 10 1HE LYS 10 -6.295 -3.726 -4.461 85 1HZ LYS 10 1HZ LYS 10 -8.111 -3.805 -6.136 86 2HZ LYS 10 2HZ LYS 10 -7.354 -5.295 -5.862 87 3HZ LYS 10 3HZ LYS 10 -6.992 -4.407 -7.264 88 H ARG 11 H ARG 11 -2.933 1.550 -7.251 89 HA ARG 11 HA ARG 11 -0.982 -0.431 -7.793 90 1HB ARG 11 2HB ARG 11 -2.189 0.733 -9.569 91 2HB ARG 11 1HB ARG 11 -1.467 2.261 -9.087 92 1HG ARG 11 2HG ARG 11 0.381 0.061 -9.804 93 2HG ARG 11 1HG ARG 11 -0.552 0.798 -11.108 94 1HD ARG 11 2HD ARG 11 1.192 2.292 -9.147 95 2HD ARG 11 1HD ARG 11 1.647 1.864 -10.797 96 HE ARG 11 HE ARG 11 -0.701 3.251 -11.054 97 1HH1 ARG 11 1HH1 ARG 11 2.421 3.928 -9.587 98 2HH1 ARG 11 2HH1 ARG 11 2.341 5.630 -9.941 99 1HH2 ARG 11 1HH2 ARG 11 -0.807 5.462 -11.501 100 2HH2 ARG 11 2HH2 ARG 11 0.510 6.507 -11.055 101 H ILE 12 H ILE 12 -0.789 2.903 -6.609 102 HA ILE 12 HA ILE 12 1.999 3.174 -6.583 103 HB ILE 12 HB ILE 12 -0.037 4.358 -4.681 104 1HG1 ILE 12 2HG1 ILE 12 1.299 5.537 -7.127 105 2HG1 ILE 12 1HG1 ILE 12 -0.350 4.923 -7.074 106 1HG2 ILE 12 1HG2 ILE 12 2.179 4.422 -3.687 107 2HG2 ILE 12 2HG2 ILE 12 1.673 6.042 -4.169 108 3HG2 ILE 12 3HG2 ILE 12 2.835 5.154 -5.153 109 1HD1 ILE 12 1HD1 ILE 12 -0.263 7.359 -6.928 110 2HD1 ILE 12 2HD1 ILE 12 0.703 7.235 -5.458 111 3HD1 ILE 12 3HD1 ILE 12 -0.956 6.640 -5.475 112 H ALA 13 H ALA 13 -0.218 1.945 -4.100 113 HA ALA 13 HA ALA 13 1.734 1.282 -2.190 114 1HB ALA 13 1HB ALA 13 -0.657 1.399 -1.667 115 2HB ALA 13 2HB ALA 13 0.035 -0.152 -1.194 116 3HB ALA 13 3HB ALA 13 -0.943 -0.031 -2.658 117 H LYS 14 H LYS 14 0.296 -0.566 -4.835 118 HA LYS 14 HA LYS 14 1.436 -3.055 -4.340 119 1HB LYS 14 2HB LYS 14 -0.362 -2.407 -6.028 120 2HB LYS 14 1HB LYS 14 0.942 -1.888 -7.081 121 1HG LYS 14 2HG LYS 14 0.901 -4.674 -6.001 122 2HG LYS 14 1HG LYS 14 -0.097 -4.234 -7.384 123 1HD LYS 14 2HD LYS 14 1.987 -3.380 -8.494 124 2HD LYS 14 1HD LYS 14 2.903 -4.087 -7.161 125 1HE LYS 14 2HE LYS 14 2.044 -6.287 -7.695 126 2HE LYS 14 1HE LYS 14 1.030 -5.611 -8.968 127 1HZ LYS 14 1HZ LYS 14 4.001 -5.724 -8.911 128 2HZ LYS 14 2HZ LYS 14 3.110 -4.880 -10.080 129 3HZ LYS 14 3HZ LYS 14 2.959 -6.562 -9.951 130 H GLU 15 H GLU 15 2.700 -0.309 -6.214 131 HA GLU 15 HA GLU 15 5.081 -1.517 -7.088 132 1HB GLU 15 2HB GLU 15 4.539 1.390 -6.460 133 2HB GLU 15 1HB GLU 15 5.929 0.796 -7.357 134 1HG GLU 15 2HG GLU 15 4.445 -0.066 -9.089 135 2HG GLU 15 1HG GLU 15 3.051 0.527 -8.188 136 H MET 16 H MET 16 4.298 0.230 -4.138 137 HA MET 16 HA MET 16 6.954 0.300 -3.131 138 1HB MET 16 2HB MET 16 5.323 1.920 -2.395 139 2HB MET 16 1HB MET 16 4.278 0.651 -1.778 140 1HG MET 16 2HG MET 16 5.648 0.231 0.045 141 2HG MET 16 1HG MET 16 7.042 1.010 -0.698 142 1HE MET 16 1HE MET 16 3.373 3.372 0.812 143 2HE MET 16 2HE MET 16 3.465 1.612 0.828 144 3HE MET 16 3HE MET 16 3.400 2.477 -0.707 145 H ILE 17 H ILE 17 4.157 -1.784 -2.413 146 HA ILE 17 HA ILE 17 5.299 -3.312 -0.365 147 HB ILE 17 HB ILE 17 3.268 -4.215 -2.415 148 1HG1 ILE 17 2HG1 ILE 17 2.789 -3.057 0.337 149 2HG1 ILE 17 1HG1 ILE 17 2.660 -2.136 -1.160 150 1HG2 ILE 17 1HG2 ILE 17 2.559 -5.809 -0.677 151 2HG2 ILE 17 2HG2 ILE 17 3.920 -5.296 0.321 152 3HG2 ILE 17 3HG2 ILE 17 4.211 -6.093 -1.224 153 1HD1 ILE 17 1HD1 ILE 17 0.477 -2.829 -0.418 154 2HD1 ILE 17 2HD1 ILE 17 0.994 -4.515 -0.379 155 3HD1 ILE 17 3HD1 ILE 17 0.890 -3.659 -1.918 156 H GLU 18 H GLU 18 5.320 -3.785 -3.856 157 HA GLU 18 HA GLU 18 6.301 -6.426 -3.832 158 1HB GLU 18 2HB GLU 18 5.032 -5.211 -5.655 159 2HB GLU 18 1HB GLU 18 6.550 -4.443 -6.083 160 1HG GLU 18 2HG GLU 18 7.511 -6.479 -6.756 161 2HG GLU 18 1HG GLU 18 6.228 -7.423 -5.997 162 H THR 19 H THR 19 7.911 -3.627 -3.019 163 HA THR 19 HA THR 19 10.494 -4.290 -4.088 164 HB THR 19 HB THR 19 10.016 -2.476 -1.725 165 HG1 THR 19 1HG THR 19 8.640 -1.568 -3.124 166 1HG2 THR 19 1HG2 THR 19 12.014 -2.429 -4.000 167 2HG2 THR 19 2HG2 THR 19 12.348 -2.933 -2.343 168 3HG2 THR 19 3HG2 THR 19 11.923 -1.255 -2.685 169 H HIS 20 H HIS 20 8.614 -5.237 -1.362 170 HA HIS 20 HA HIS 20 10.810 -6.960 -0.486 171 1HB HIS 20 2HB HIS 20 9.370 -4.979 1.234 172 2HB HIS 20 1HB HIS 20 9.839 -6.520 1.934 173 HD1 HIS 20 1HD HIS 20 12.158 -6.697 2.789 174 HD2 HIS 20 2HD HIS 20 11.649 -3.438 0.258 175 HE1 HIS 20 1HE HIS 20 14.286 -5.371 2.957 176 HE2 HIS 20 2HE HIS 20 13.832 -3.276 1.633 177 HA PRO 21 HA PRO 21 6.886 -9.330 -0.860 178 1HB PRO 21 2HB PRO 21 7.993 -11.498 -2.036 179 2HB PRO 21 1HB PRO 21 7.504 -10.069 -2.955 180 1HG PRO 21 2HG PRO 21 10.227 -10.876 -2.012 181 2HG PRO 21 1HG PRO 21 9.742 -10.194 -3.575 182 1HD PRO 21 2HD PRO 21 10.868 -8.711 -1.586 183 2HD PRO 21 1HD PRO 21 9.731 -8.041 -2.771 184 H GLY 22 H GLY 22 9.953 -9.807 0.608 185 1HA GLY 22 2HA GLY 22 9.308 -12.342 1.850 186 2HA GLY 22 1HA GLY 22 10.768 -11.395 2.091 187 H LYS 23 H LYS 23 7.286 -11.032 2.694 188 HA LYS 23 HA LYS 23 7.806 -10.763 5.550 189 1HB LYS 23 2HB LYS 23 6.288 -8.692 3.942 190 2HB LYS 23 1HB LYS 23 6.230 -8.810 5.692 191 1HG LYS 23 2HG LYS 23 8.786 -8.376 4.166 192 2HG LYS 23 1HG LYS 23 7.773 -7.059 4.756 193 1HD LYS 23 2HD LYS 23 8.854 -9.226 6.552 194 2HD LYS 23 1HD LYS 23 9.726 -7.725 6.230 195 1HE LYS 23 2HE LYS 23 7.881 -6.432 7.144 196 2HE LYS 23 1HE LYS 23 6.943 -7.903 7.397 197 1HZ LYS 23 1HZ LYS 23 8.005 -7.112 9.441 198 2HZ LYS 23 2HZ LYS 23 9.533 -7.278 8.716 199 3HZ LYS 23 3HZ LYS 23 8.575 -8.650 8.993 200 H PHE 24 H PHE 24 5.038 -10.101 3.465 201 HA PHE 24 HA PHE 24 2.929 -10.912 3.361 202 1HB PHE 24 2HB PHE 24 2.833 -13.300 2.701 203 2HB PHE 24 1HB PHE 24 4.036 -12.365 1.828 204 HD1 PHE 24 1HD PHE 24 3.545 -14.928 4.442 205 HD2 PHE 24 2HD PHE 24 6.340 -12.932 1.925 206 HE1 PHE 24 1HE PHE 24 5.251 -16.612 5.001 207 HE2 PHE 24 2HE PHE 24 8.049 -14.610 2.485 208 HZ PHE 24 HZ PHE 24 7.505 -16.456 4.026 209 H THR 25 H THR 25 3.775 -10.669 6.176 210 HA THR 25 HA THR 25 2.574 -12.953 7.482 211 HB THR 25 HB THR 25 3.377 -10.359 8.798 212 HG1 THR 25 1HG THR 25 4.936 -12.465 7.769 213 1HG2 THR 25 1HG2 THR 25 3.746 -11.797 10.745 214 2HG2 THR 25 2HG2 THR 25 3.255 -13.206 9.806 215 3HG2 THR 25 3HG2 THR 25 2.085 -11.937 10.167 216 H ASP 26 H ASP 26 1.559 -9.913 6.273 217 HA ASP 26 HA ASP 26 -0.322 -8.660 6.432 218 1HB ASP 26 2HB ASP 26 -1.475 -10.689 5.729 219 2HB ASP 26 1HB ASP 26 -1.520 -11.272 7.390 220 H ASP 27 H ASP 27 1.247 -7.936 8.221 221 HA ASP 27 HA ASP 27 -0.345 -7.633 10.670 222 1HB ASP 27 2HB ASP 27 1.532 -9.273 11.018 223 2HB ASP 27 1HB ASP 27 2.667 -7.996 10.599 224 H PHE 28 H PHE 28 0.527 -5.661 11.934 225 HA PHE 28 HA PHE 28 0.640 -3.491 10.052 226 1HB PHE 28 2HB PHE 28 0.592 -3.562 13.073 227 2HB PHE 28 1HB PHE 28 0.663 -2.066 12.142 228 HD1 PHE 28 1HD PHE 28 -1.441 -4.746 13.332 229 HD2 PHE 28 2HD PHE 28 -1.198 -1.498 10.592 230 HE1 PHE 28 1HE PHE 28 -3.885 -4.802 13.050 231 HE2 PHE 28 2HE PHE 28 -3.640 -1.546 10.311 232 HZ PHE 28 HZ PHE 28 -4.987 -3.198 11.537 233 H ASP 29 H ASP 29 2.939 -5.289 11.933 234 HA ASP 29 HA ASP 29 5.134 -3.516 11.623 235 1HB ASP 29 2HB ASP 29 5.407 -5.420 13.072 236 2HB ASP 29 1HB ASP 29 5.014 -6.538 11.769 237 H THR 30 H THR 30 3.590 -5.880 9.577 238 HA THR 30 HA THR 30 5.470 -6.004 7.512 239 HB THR 30 HB THR 30 2.489 -6.245 7.113 240 HG1 THR 30 1HG THR 30 4.314 -8.077 8.316 241 1HG2 THR 30 1HG2 THR 30 4.843 -7.629 5.833 242 2HG2 THR 30 2HG2 THR 30 3.856 -6.363 5.105 243 3HG2 THR 30 3HG2 THR 30 3.145 -7.936 5.466 244 H ASN 31 H ASN 31 2.407 -4.145 7.609 245 HA ASN 31 HA ASN 31 2.962 -2.876 5.148 246 1HB ASN 31 2HB ASN 31 1.033 -1.365 5.728 247 2HB ASN 31 1HB ASN 31 0.677 -3.082 5.705 248 1HD2 ASN 31 1HD2 ASN 31 -1.166 -2.742 6.956 249 2HD2 ASN 31 2HD2 ASN 31 -1.067 -2.410 8.651 250 H LYS 32 H LYS 32 3.213 -1.662 8.483 251 HA LYS 32 HA LYS 32 3.837 0.980 7.916 252 1HB LYS 32 2HB LYS 32 3.339 -0.085 10.159 253 2HB LYS 32 1HB LYS 32 5.010 -0.622 10.187 254 1HG LYS 32 2HG LYS 32 5.756 1.710 10.122 255 2HG LYS 32 1HG LYS 32 4.072 2.241 10.115 256 1HD LYS 32 2HD LYS 32 3.786 0.942 12.263 257 2HD LYS 32 1HD LYS 32 5.541 0.768 12.290 258 1HE LYS 32 2HE LYS 32 4.075 3.401 12.208 259 2HE LYS 32 1HE LYS 32 4.685 2.643 13.677 260 1HZ LYS 32 1HZ LYS 32 6.335 3.525 11.366 261 2HZ LYS 32 2HZ LYS 32 6.924 2.785 12.779 262 3HZ LYS 32 3HZ LYS 32 6.203 4.317 12.861 263 H LYS 33 H LYS 33 6.006 -1.800 8.260 264 HA LYS 33 HA LYS 33 8.383 -0.259 7.995 265 1HB LYS 33 2HB LYS 33 8.161 -2.485 9.151 266 2HB LYS 33 1HB LYS 33 8.068 -3.227 7.561 267 1HG LYS 33 2HG LYS 33 10.277 -2.578 7.028 268 2HG LYS 33 1HG LYS 33 10.377 -1.523 8.440 269 1HD LYS 33 2HD LYS 33 10.133 -4.528 8.482 270 2HD LYS 33 1HD LYS 33 11.600 -3.603 8.802 271 1HE LYS 33 2HE LYS 33 10.399 -2.511 10.704 272 2HE LYS 33 1HE LYS 33 9.061 -3.626 10.429 273 1HZ LYS 33 1HZ LYS 33 10.472 -4.456 12.170 274 2HZ LYS 33 2HZ LYS 33 11.842 -4.352 11.176 275 3HZ LYS 33 3HZ LYS 33 10.620 -5.469 10.818 276 H LEU 34 H LEU 34 6.238 -1.850 5.749 277 HA LEU 34 HA LEU 34 8.060 -1.724 3.534 278 1HB LEU 34 2HB LEU 34 5.070 -2.135 3.602 279 2HB LEU 34 1HB LEU 34 6.055 -2.256 2.157 280 HG LEU 34 HG LEU 34 6.162 -4.052 4.578 281 1HD1 LEU 34 1HD1 LEU 34 5.491 -5.778 2.986 282 2HD1 LEU 34 2HD1 LEU 34 5.395 -4.565 1.708 283 3HD1 LEU 34 3HD1 LEU 34 4.297 -4.485 3.085 284 1HD2 LEU 34 1HD2 LEU 34 8.413 -3.672 3.734 285 2HD2 LEU 34 2HD2 LEU 34 7.885 -4.084 2.105 286 3HD2 LEU 34 3HD2 LEU 34 7.872 -5.310 3.371 287 H VAL 35 H VAL 35 5.567 0.357 4.865 288 HA VAL 35 HA VAL 35 5.393 2.140 2.669 289 HB VAL 35 HB VAL 35 4.966 2.838 5.581 290 1HG1 VAL 35 1HG1 VAL 35 3.880 4.054 3.053 291 2HG1 VAL 35 2HG1 VAL 35 5.105 4.761 4.108 292 3HG1 VAL 35 3HG1 VAL 35 3.459 4.531 4.698 293 1HG2 VAL 35 1HG2 VAL 35 2.607 2.324 5.208 294 2HG2 VAL 35 2HG2 VAL 35 3.621 0.897 4.994 295 3HG2 VAL 35 3HG2 VAL 35 2.990 1.748 3.586 296 H GLU 36 H GLU 36 7.531 1.902 5.437 297 HA GLU 36 HA GLU 36 8.879 4.376 5.044 298 1HB GLU 36 2HB GLU 36 9.604 1.852 6.525 299 2HB GLU 36 1HB GLU 36 10.691 3.231 6.447 300 1HG GLU 36 2HG GLU 36 7.903 3.255 7.577 301 2HG GLU 36 1HG GLU 36 9.399 3.201 8.510 302 H GLU 37 H GLU 37 8.872 1.562 3.220 303 HA GLU 37 HA GLU 37 11.691 1.493 2.651 304 1HB GLU 37 2HB GLU 37 10.200 -0.539 2.707 305 2HB GLU 37 1HB GLU 37 9.497 0.023 1.194 306 1HG GLU 37 2HG GLU 37 11.212 -1.671 0.829 307 2HG GLU 37 1HG GLU 37 11.653 -0.121 0.106 308 H PHE 38 H PHE 38 8.794 2.112 0.610 309 HA PHE 38 HA PHE 38 10.656 3.118 -1.410 310 1HB PHE 38 2HB PHE 38 8.566 1.366 -1.649 311 2HB PHE 38 1HB PHE 38 7.853 2.876 -2.212 312 HD1 PHE 38 1HD PHE 38 10.942 0.840 -2.626 313 HD2 PHE 38 2HD PHE 38 8.111 3.447 -4.439 314 HE1 PHE 38 1HE PHE 38 12.054 0.530 -4.797 315 HE2 PHE 38 2HE PHE 38 9.217 3.142 -6.614 316 HZ PHE 38 HZ PHE 38 11.191 1.681 -6.796 317 H SER 39 H SER 39 8.515 4.532 -2.835 318 HA SER 39 HA SER 39 9.159 7.059 -1.557 319 1HB SER 39 2HB SER 39 9.772 6.747 -3.893 320 2HB SER 39 1HB SER 39 8.095 6.409 -4.314 321 HG SER 39 HG SER 39 8.138 8.482 -4.741 322 H THR 40 H THR 40 7.780 8.193 -0.443 323 HA THR 40 HA THR 40 5.053 8.513 -1.417 324 HB THR 40 HB THR 40 4.243 8.621 1.019 325 HG1 THR 40 1HG THR 40 6.693 7.209 1.346 326 1HG2 THR 40 1HG2 THR 40 3.761 6.225 1.105 327 2HG2 THR 40 2HG2 THR 40 4.975 5.937 -0.142 328 3HG2 THR 40 3HG2 THR 40 3.530 6.877 -0.518 329 H VAL 41 H VAL 41 4.860 10.658 -1.776 330 HA VAL 41 HA VAL 41 6.548 12.436 -0.150 331 HB VAL 41 HB VAL 41 7.409 12.279 -2.403 332 1HG1 VAL 41 1HG1 VAL 41 6.119 13.048 -4.342 333 2HG1 VAL 41 2HG1 VAL 41 4.694 13.215 -3.318 334 3HG1 VAL 41 3HG1 VAL 41 5.399 11.622 -3.593 335 1HG2 VAL 41 1HG2 VAL 41 6.051 14.926 -1.903 336 2HG2 VAL 41 2HG2 VAL 41 7.405 14.661 -3.001 337 3HG2 VAL 41 3HG2 VAL 41 7.615 14.419 -1.267 338 H SER 42 H SER 42 5.591 13.929 0.985 339 HA SER 42 HA SER 42 4.108 15.433 1.794 340 1HB SER 42 2HB SER 42 3.108 15.487 -1.062 341 2HB SER 42 1HB SER 42 2.733 16.685 0.178 342 HG SER 42 HG SER 42 4.702 16.836 -1.444 343 H THR 43 H THR 43 3.398 12.482 1.419 344 HA THR 43 HA THR 43 0.486 12.731 1.822 345 HB THR 43 HB THR 43 0.504 10.239 1.237 346 HG1 THR 43 1HG THR 43 3.071 10.549 1.308 347 1HG2 THR 43 1HG2 THR 43 1.305 12.208 -0.908 348 2HG2 THR 43 2HG2 THR 43 -0.333 11.952 -0.304 349 3HG2 THR 43 3HG2 THR 43 0.500 10.663 -1.173 350 H LYS 44 H LYS 44 2.258 13.246 3.905 351 HA LYS 44 HA LYS 44 3.319 11.110 5.275 352 1HB LYS 44 2HB LYS 44 3.503 12.571 7.210 353 2HB LYS 44 1HB LYS 44 3.969 13.397 5.734 354 1HG LYS 44 2HG LYS 44 1.234 13.688 6.945 355 2HG LYS 44 1HG LYS 44 2.596 14.704 7.414 356 1HD LYS 44 2HD LYS 44 2.833 15.242 4.927 357 2HD LYS 44 1HD LYS 44 1.236 14.513 4.739 358 1HE LYS 44 2HE LYS 44 1.006 16.904 4.977 359 2HE LYS 44 1HE LYS 44 0.347 16.105 6.405 360 1HZ LYS 44 1HZ LYS 44 2.447 16.572 7.554 361 2HZ LYS 44 2HZ LYS 44 1.677 17.994 7.053 362 3HZ LYS 44 3HZ LYS 44 3.011 17.404 6.192 363 H HIS 45 H HIS 45 -0.014 12.312 5.509 364 HA HIS 45 HA HIS 45 -0.427 10.169 7.484 365 1HB HIS 45 2HB HIS 45 -1.508 12.923 7.408 366 2HB HIS 45 1HB HIS 45 -2.586 11.652 7.983 367 HD1 HIS 45 1HD HIS 45 -0.038 13.911 9.164 368 HD2 HIS 45 2HD HIS 45 -1.276 10.058 10.143 369 HE1 HIS 45 1HE HIS 45 0.915 13.445 11.442 370 HE2 HIS 45 2HE HIS 45 -0.001 11.192 12.088 371 H LEU 46 H LEU 46 -1.412 11.374 4.398 372 HA LEU 46 HA LEU 46 -3.656 9.645 4.096 373 1HB LEU 46 2HB LEU 46 -3.069 11.470 2.501 374 2HB LEU 46 1HB LEU 46 -1.665 10.548 2.000 375 HG LEU 46 HG LEU 46 -3.162 8.759 1.170 376 1HD1 LEU 46 1HD1 LEU 46 -5.365 10.707 1.830 377 2HD1 LEU 46 2HD1 LEU 46 -5.054 9.185 2.664 378 3HD1 LEU 46 3HD1 LEU 46 -5.549 9.178 0.970 379 1HD2 LEU 46 1HD2 LEU 46 -3.731 11.504 0.058 380 2HD2 LEU 46 2HD2 LEU 46 -3.971 9.976 -0.788 381 3HD2 LEU 46 3HD2 LEU 46 -2.343 10.494 -0.344 382 H ARG 47 H ARG 47 -0.289 9.328 4.195 383 HA ARG 47 HA ARG 47 0.393 6.906 3.122 384 1HB ARG 47 2HB ARG 47 1.526 8.801 4.754 385 2HB ARG 47 1HB ARG 47 1.439 7.414 5.823 386 1HG ARG 47 2HG ARG 47 2.726 6.102 4.213 387 2HG ARG 47 1HG ARG 47 2.829 7.518 3.157 388 1HD ARG 47 2HD ARG 47 3.957 8.763 4.921 389 2HD ARG 47 1HD ARG 47 3.826 7.381 6.000 390 HE ARG 47 HE ARG 47 5.346 7.148 3.491 391 1HH1 ARG 47 1HH1 ARG 47 5.200 7.103 6.991 392 2HH1 ARG 47 2HH1 ARG 47 6.821 6.500 7.192 393 1HH2 ARG 47 1HH2 ARG 47 7.501 6.364 3.746 394 2HH2 ARG 47 2HH2 ARG 47 8.120 6.100 5.351 395 H ASN 48 H ASN 48 -1.239 7.579 6.168 396 HA ASN 48 HA ASN 48 -0.999 5.036 7.337 397 1HB ASN 48 2HB ASN 48 -3.150 7.122 7.782 398 2HB ASN 48 1HB ASN 48 -2.811 5.760 8.845 399 1HD2 ASN 48 1HD2 ASN 48 -2.301 6.990 10.622 400 2HD2 ASN 48 2HD2 ASN 48 -0.873 7.968 10.712 401 H LYS 49 H LYS 49 -3.475 6.436 5.248 402 HA LYS 49 HA LYS 49 -5.224 4.206 5.320 403 1HB LYS 49 2HB LYS 49 -4.863 6.433 3.319 404 2HB LYS 49 1HB LYS 49 -6.083 5.182 3.136 405 1HG LYS 49 2HG LYS 49 -7.089 5.853 5.262 406 2HG LYS 49 1HG LYS 49 -5.860 7.105 5.442 407 1HD LYS 49 2HD LYS 49 -6.657 8.252 3.492 408 2HD LYS 49 1HD LYS 49 -7.774 6.938 3.119 409 1HE LYS 49 2HE LYS 49 -8.899 8.869 4.151 410 2HE LYS 49 1HE LYS 49 -9.047 7.403 5.117 411 1HZ LYS 49 1HZ LYS 49 -7.016 9.508 5.629 412 2HZ LYS 49 2HZ LYS 49 -7.404 8.190 6.624 413 3HZ LYS 49 3HZ LYS 49 -8.523 9.446 6.403 414 H ILE 50 H ILE 50 -2.531 5.133 3.235 415 HA ILE 50 HA ILE 50 -2.723 3.072 1.349 416 HB ILE 50 HB ILE 50 -0.208 4.411 2.362 417 1HG1 ILE 50 2HG1 ILE 50 -1.982 5.122 0.013 418 2HG1 ILE 50 1HG1 ILE 50 -1.912 6.007 1.536 419 1HG2 ILE 50 1HG2 ILE 50 -0.751 2.907 -0.195 420 2HG2 ILE 50 2HG2 ILE 50 0.285 2.384 1.135 421 3HG2 ILE 50 3HG2 ILE 50 0.728 3.795 0.176 422 1HD1 ILE 50 1HD1 ILE 50 0.412 6.581 1.101 423 2HD1 ILE 50 2HD1 ILE 50 -0.633 7.114 -0.216 424 3HD1 ILE 50 3HD1 ILE 50 0.363 5.672 -0.409 425 H ALA 51 H ALA 51 -1.104 3.221 4.488 426 HA ALA 51 HA ALA 51 0.177 0.738 4.425 427 1HB ALA 51 1HB ALA 51 -0.975 2.137 6.838 428 2HB ALA 51 2HB ALA 51 0.603 2.468 6.125 429 3HB ALA 51 3HB ALA 51 0.276 0.892 6.845 430 H GLY 52 H GLY 52 -3.102 1.624 5.411 431 1HA GLY 52 2HA GLY 52 -3.962 -0.901 6.279 432 2HA GLY 52 1HA GLY 52 -5.005 0.350 5.613 433 H TYR 53 H TYR 53 -4.140 0.573 3.044 434 HA TYR 53 HA TYR 53 -5.301 -1.548 1.671 435 1HB TYR 53 2HB TYR 53 -3.353 0.582 0.809 436 2HB TYR 53 1HB TYR 53 -3.908 -0.648 -0.317 437 HD1 TYR 53 1HD TYR 53 -4.908 2.276 1.677 438 HD2 TYR 53 2HD TYR 53 -6.146 -0.602 -1.203 439 HE1 TYR 53 1HE TYR 53 -6.880 3.647 1.162 440 HE2 TYR 53 2HE TYR 53 -8.125 0.761 -1.723 441 HH TYR 53 HH TYR 53 -8.471 3.986 -0.604 442 H ILE 54 H ILE 54 -1.901 -0.941 2.443 443 HA ILE 54 HA ILE 54 -0.714 -2.943 0.950 444 HB ILE 54 HB ILE 54 0.103 -1.846 3.637 445 1HG1 ILE 54 2HG1 ILE 54 0.968 -1.240 0.804 446 2HG1 ILE 54 1HG1 ILE 54 0.020 -0.193 1.853 447 1HG2 ILE 54 1HG2 ILE 54 1.155 -4.004 3.360 448 2HG2 ILE 54 2HG2 ILE 54 2.352 -2.731 3.124 449 3HG2 ILE 54 3HG2 ILE 54 1.677 -3.576 1.731 450 1HD1 ILE 54 1HD1 ILE 54 2.327 0.535 1.718 451 2HD1 ILE 54 2HD1 ILE 54 2.869 -1.036 2.310 452 3HD1 ILE 54 3HD1 ILE 54 1.923 0.024 3.355 453 H THR 55 H THR 55 -1.691 -3.197 4.394 454 HA THR 55 HA THR 55 -1.133 -5.852 4.815 455 HB THR 55 HB THR 55 -3.632 -5.337 6.073 456 HG1 THR 55 1HG THR 55 -3.481 -3.161 5.650 457 1HG2 THR 55 1HG2 THR 55 -0.805 -5.072 7.104 458 2HG2 THR 55 2HG2 THR 55 -1.738 -6.566 7.038 459 3HG2 THR 55 3HG2 THR 55 -2.255 -5.251 8.094 460 H ARG 56 H ARG 56 -4.131 -4.491 3.458 461 HA ARG 56 HA ARG 56 -5.434 -7.003 3.232 462 1HB ARG 56 2HB ARG 56 -6.008 -4.419 1.776 463 2HB ARG 56 1HB ARG 56 -7.081 -5.812 1.854 464 1HG ARG 56 2HG ARG 56 -7.112 -5.548 4.337 465 2HG ARG 56 1HG ARG 56 -6.227 -4.035 4.125 466 1HD ARG 56 2HD ARG 56 -8.069 -3.233 2.666 467 2HD ARG 56 1HD ARG 56 -8.958 -4.708 3.038 468 HE ARG 56 HE ARG 56 -8.259 -2.603 4.989 469 1HH1 ARG 56 1HH1 ARG 56 -10.181 -5.382 4.052 470 2HH1 ARG 56 2HH1 ARG 56 -11.394 -5.114 5.276 471 1HH2 ARG 56 1HH2 ARG 56 -9.850 -2.242 6.589 472 2HH2 ARG 56 2HH2 ARG 56 -11.185 -3.346 6.731 473 H ILE 57 H ILE 57 -3.604 -5.036 0.908 474 HA ILE 57 HA ILE 57 -4.034 -6.659 -1.347 475 HB ILE 57 HB ILE 57 -1.660 -4.913 -0.667 476 1HG1 ILE 57 2HG1 ILE 57 -4.032 -4.419 -2.480 477 2HG1 ILE 57 1HG1 ILE 57 -3.840 -3.750 -0.864 478 1HG2 ILE 57 1HG2 ILE 57 -0.999 -6.576 -2.310 479 2HG2 ILE 57 2HG2 ILE 57 -1.120 -4.987 -3.064 480 3HG2 ILE 57 3HG2 ILE 57 -2.400 -6.177 -3.304 481 1HD1 ILE 57 1HD1 ILE 57 -1.844 -2.542 -1.619 482 2HD1 ILE 57 2HD1 ILE 57 -3.280 -2.108 -2.544 483 3HD1 ILE 57 3HD1 ILE 57 -2.079 -3.194 -3.241 484 H ILE 58 H ILE 58 -1.527 -6.755 1.164 485 HA ILE 58 HA ILE 58 -0.006 -8.835 0.042 486 HB ILE 58 HB ILE 58 -0.318 -8.007 2.925 487 1HG1 ILE 58 2HG1 ILE 58 1.839 -7.448 0.876 488 2HG1 ILE 58 1HG1 ILE 58 0.618 -6.300 1.415 489 1HG2 ILE 58 1HG2 ILE 58 1.698 -9.881 1.692 490 2HG2 ILE 58 2HG2 ILE 58 0.447 -10.302 2.862 491 3HG2 ILE 58 3HG2 ILE 58 1.776 -9.242 3.333 492 1HD1 ILE 58 1HD1 ILE 58 2.794 -7.513 3.094 493 2HD1 ILE 58 2HD1 ILE 58 1.544 -6.419 3.684 494 3HD1 ILE 58 3HD1 ILE 58 2.721 -5.856 2.498 495 H SER 59 H SER 59 -2.736 -8.926 2.328 496 HA SER 59 HA SER 59 -2.644 -11.717 2.732 497 1HB SER 59 2HB SER 59 -5.029 -11.448 3.508 498 2HB SER 59 1HB SER 59 -3.863 -10.398 4.308 499 HG SER 59 HG SER 59 -4.843 -9.170 2.120 500 H GLN 60 H GLN 60 -3.891 -9.796 0.139 501 HA GLN 60 HA GLN 60 -5.384 -11.991 -1.029 502 1HB GLN 60 2HB GLN 60 -4.688 -9.258 -2.118 503 2HB GLN 60 1HB GLN 60 -5.733 -10.422 -2.919 504 1HG GLN 60 2HG GLN 60 -7.325 -10.288 -1.105 505 2HG GLN 60 1HG GLN 60 -6.264 -9.185 -0.231 506 1HE2 GLN 60 1HE2 GLN 60 -6.671 -9.063 -3.690 507 2HE2 GLN 60 2HE2 GLN 60 -7.534 -7.563 -3.733 508 H GLN 61 H GLN 61 -2.217 -10.604 -1.227 509 HA GLN 61 HA GLN 61 -1.626 -11.770 -3.802 510 1HB GLN 61 2HB GLN 61 -0.731 -9.561 -3.107 511 2HB GLN 61 1HB GLN 61 0.213 -10.363 -1.863 512 1HG GLN 61 2HG GLN 61 1.435 -11.595 -3.577 513 2HG GLN 61 1HG GLN 61 0.486 -10.797 -4.829 514 1HE2 GLN 61 1HE2 GLN 61 2.294 -9.882 -5.775 515 2HE2 GLN 61 2HE2 GLN 61 3.154 -8.571 -5.053 516 H LYS 62 H LYS 62 -0.909 -12.443 -0.416 517 HA LYS 62 HA LYS 62 1.132 -14.343 -0.858 518 1HB LYS 62 2HB LYS 62 0.747 -13.319 1.344 519 2HB LYS 62 1HB LYS 62 -0.804 -14.144 1.459 520 1HG LYS 62 2HG LYS 62 0.346 -16.303 1.420 521 2HG LYS 62 1HG LYS 62 1.897 -15.472 1.328 522 1HD LYS 62 2HD LYS 62 1.457 -16.167 3.609 523 2HD LYS 62 1HD LYS 62 1.434 -14.406 3.498 524 1HE LYS 62 2HE LYS 62 -0.990 -14.414 3.474 525 2HE LYS 62 1HE LYS 62 -1.007 -16.177 3.486 526 1HZ LYS 62 1HZ LYS 62 0.128 -14.487 5.648 527 2HZ LYS 62 2HZ LYS 62 -0.024 -16.176 5.662 528 3HZ LYS 62 3HZ LYS 62 -1.408 -15.202 5.682 Start of MODEL 4 1 1H MET 1 1HT MET 1 -18.024 17.966 -2.297 2 2H MET 1 2HT MET 1 -18.455 16.820 -1.119 3 3H MET 1 3HT MET 1 -18.671 16.470 -2.764 4 HA MET 1 HA MET 1 -16.300 16.546 -3.128 5 1HB MET 1 2HB MET 1 -14.789 16.580 -1.176 6 2HB MET 1 1HB MET 1 -15.673 18.086 -1.358 7 1HG MET 1 2HG MET 1 -17.219 17.387 0.405 8 2HG MET 1 1HG MET 1 -16.318 15.883 0.588 9 1HE MET 1 1HE MET 1 -16.165 16.464 3.220 10 2HE MET 1 2HE MET 1 -17.005 17.988 2.939 11 3HE MET 1 3HE MET 1 -15.488 17.972 3.837 12 H GLY 2 H GLY 2 -15.197 14.614 -3.144 13 1HA GLY 2 2HA GLY 2 -15.362 12.405 -1.565 14 2HA GLY 2 1HA GLY 2 -16.847 12.332 -2.507 15 H ASN 3 H ASN 3 -13.637 11.451 -2.435 16 HA ASN 3 HA ASN 3 -13.122 11.791 -5.265 17 1HB ASN 3 2HB ASN 3 -11.326 12.159 -3.612 18 2HB ASN 3 1HB ASN 3 -11.425 10.463 -3.149 19 1HD2 ASN 3 1HD2 ASN 3 -10.614 8.895 -4.526 20 2HD2 ASN 3 2HD2 ASN 3 -9.590 9.275 -5.865 21 H ILE 4 H ILE 4 -14.443 10.441 -6.408 22 HA ILE 4 HA ILE 4 -14.100 7.567 -5.976 23 HB ILE 4 HB ILE 4 -15.683 7.227 -7.820 24 1HG1 ILE 4 2HG1 ILE 4 -15.099 9.411 -9.014 25 2HG1 ILE 4 1HG1 ILE 4 -16.798 8.960 -8.982 26 1HG2 ILE 4 1HG2 ILE 4 -16.541 7.348 -5.576 27 2HG2 ILE 4 2HG2 ILE 4 -17.695 8.074 -6.693 28 3HG2 ILE 4 3HG2 ILE 4 -16.677 9.102 -5.685 29 1HD1 ILE 4 1HD1 ILE 4 -17.140 10.538 -7.124 30 2HD1 ILE 4 2HD1 ILE 4 -16.572 11.317 -8.599 31 3HD1 ILE 4 3HD1 ILE 4 -15.454 11.035 -7.263 32 H ARG 5 H ARG 5 -13.488 6.243 -7.919 33 HA ARG 5 HA ARG 5 -11.817 5.634 -9.331 34 1HB ARG 5 2HB ARG 5 -12.771 7.427 -10.812 35 2HB ARG 5 1HB ARG 5 -11.633 8.561 -10.105 36 1HG ARG 5 2HG ARG 5 -10.694 6.050 -11.448 37 2HG ARG 5 1HG ARG 5 -11.067 7.505 -12.371 38 1HD ARG 5 2HD ARG 5 -9.187 7.572 -10.032 39 2HD ARG 5 1HD ARG 5 -8.632 7.103 -11.636 40 HE ARG 5 HE ARG 5 -9.457 9.346 -12.381 41 1HH1 ARG 5 1HH1 ARG 5 -8.754 8.857 -8.980 42 2HH1 ARG 5 2HH1 ARG 5 -8.166 10.476 -8.731 43 1HH2 ARG 5 1HH2 ARG 5 -8.640 11.473 -12.063 44 2HH2 ARG 5 2HH2 ARG 5 -8.076 11.941 -10.484 45 H THR 6 H THR 6 -9.995 4.970 -8.388 46 HA THR 6 HA THR 6 -8.029 6.837 -7.446 47 HB THR 6 HB THR 6 -9.675 6.988 -5.628 48 HG1 THR 6 1HG THR 6 -7.345 5.574 -4.801 49 1HG2 THR 6 1HG2 THR 6 -9.160 4.037 -5.253 50 2HG2 THR 6 2HG2 THR 6 -10.676 4.775 -5.770 51 3HG2 THR 6 3HG2 THR 6 -10.064 5.065 -4.141 52 H SER 7 H SER 7 -8.256 4.443 -9.185 53 HA SER 7 HA SER 7 -6.859 2.285 -8.001 54 1HB SER 7 2HB SER 7 -8.102 2.164 -10.169 55 2HB SER 7 1HB SER 7 -6.843 3.150 -10.906 56 HG SER 7 HG SER 7 -5.999 1.256 -11.311 57 H PHE 8 H PHE 8 -5.931 5.418 -8.822 58 HA PHE 8 HA PHE 8 -3.240 5.217 -9.485 59 1HB PHE 8 2HB PHE 8 -4.454 7.315 -9.624 60 2HB PHE 8 1HB PHE 8 -4.722 7.318 -7.887 61 HD1 PHE 8 1HD PHE 8 -3.449 8.767 -6.681 62 HD2 PHE 8 2HD PHE 8 -1.820 7.095 -10.239 63 HE1 PHE 8 1HE PHE 8 -1.403 10.096 -6.365 64 HE2 PHE 8 2HE PHE 8 0.231 8.419 -9.926 65 HZ PHE 8 HZ PHE 8 0.439 9.924 -7.986 66 H VAL 9 H VAL 9 -4.813 5.253 -6.293 67 HA VAL 9 HA VAL 9 -2.363 5.289 -4.838 68 HB VAL 9 HB VAL 9 -4.570 6.056 -3.915 69 1HG1 VAL 9 1HG1 VAL 9 -5.093 3.103 -3.641 70 2HG1 VAL 9 2HG1 VAL 9 -5.991 4.244 -4.642 71 3HG1 VAL 9 3HG1 VAL 9 -6.043 4.384 -2.885 72 1HG2 VAL 9 1HG2 VAL 9 -2.645 5.720 -2.485 73 2HG2 VAL 9 2HG2 VAL 9 -3.059 4.015 -2.302 74 3HG2 VAL 9 3HG2 VAL 9 -4.127 5.255 -1.647 75 H LYS 10 H LYS 10 -4.362 2.800 -6.199 76 HA LYS 10 HA LYS 10 -3.221 0.613 -4.776 77 1HB LYS 10 2HB LYS 10 -5.416 0.507 -5.929 78 2HB LYS 10 1HB LYS 10 -4.591 0.637 -7.475 79 1HG LYS 10 2HG LYS 10 -3.564 -1.488 -7.200 80 2HG LYS 10 1HG LYS 10 -4.097 -1.592 -5.520 81 1HD LYS 10 2HD LYS 10 -6.433 -1.642 -6.272 82 2HD LYS 10 1HD LYS 10 -5.888 -1.551 -7.949 83 1HE LYS 10 2HE LYS 10 -5.047 -3.743 -6.067 84 2HE LYS 10 1HE LYS 10 -6.477 -3.858 -7.090 85 1HZ LYS 10 1HZ LYS 10 -5.153 -3.724 -9.030 86 2HZ LYS 10 2HZ LYS 10 -4.417 -4.877 -8.026 87 3HZ LYS 10 3HZ LYS 10 -3.758 -3.323 -8.156 88 H ARG 11 H ARG 11 -2.544 2.231 -7.835 89 HA ARG 11 HA ARG 11 -0.393 0.594 -8.639 90 1HB ARG 11 2HB ARG 11 -1.380 2.113 -10.218 91 2HB ARG 11 1HB ARG 11 -1.005 3.497 -9.199 92 1HG ARG 11 2HG ARG 11 1.384 3.089 -9.535 93 2HG ARG 11 1HG ARG 11 0.997 1.726 -10.585 94 1HD ARG 11 2HD ARG 11 -0.007 3.150 -12.198 95 2HD ARG 11 1HD ARG 11 0.029 4.528 -11.097 96 HE ARG 11 HE ARG 11 2.614 4.051 -11.278 97 1HH1 ARG 11 1HH1 ARG 11 0.221 3.914 -13.837 98 2HH1 ARG 11 2HH1 ARG 11 1.314 4.475 -15.070 99 1HH2 ARG 11 1HH2 ARG 11 4.039 4.825 -12.877 100 2HH2 ARG 11 2HH2 ARG 11 3.501 4.973 -14.526 101 H ILE 12 H ILE 12 -0.535 3.565 -6.699 102 HA ILE 12 HA ILE 12 2.171 3.922 -6.191 103 HB ILE 12 HB ILE 12 -0.156 4.417 -4.323 104 1HG1 ILE 12 2HG1 ILE 12 1.350 6.285 -6.167 105 2HG1 ILE 12 1HG1 ILE 12 -0.272 5.654 -6.449 106 1HG2 ILE 12 1HG2 ILE 12 2.681 5.431 -4.161 107 2HG2 ILE 12 2HG2 ILE 12 1.911 4.293 -3.057 108 3HG2 ILE 12 3HG2 ILE 12 1.347 5.962 -3.139 109 1HD1 ILE 12 1HD1 ILE 12 0.571 7.476 -4.206 110 2HD1 ILE 12 2HD1 ILE 12 -1.046 6.810 -4.428 111 3HD1 ILE 12 3HD1 ILE 12 -0.380 7.920 -5.625 112 H ALA 13 H ALA 13 -0.196 1.985 -4.386 113 HA ALA 13 HA ALA 13 1.541 0.986 -2.438 114 1HB ALA 13 1HB ALA 13 -0.878 -0.377 -3.616 115 2HB ALA 13 2HB ALA 13 -0.901 0.808 -2.311 116 3HB ALA 13 3HB ALA 13 -0.114 -0.751 -2.071 117 H LYS 14 H LYS 14 0.753 -0.247 -5.671 118 HA LYS 14 HA LYS 14 2.177 -2.677 -5.429 119 1HB LYS 14 2HB LYS 14 0.454 -2.107 -7.200 120 2HB LYS 14 1HB LYS 14 1.712 -1.173 -8.003 121 1HG LYS 14 2HG LYS 14 3.080 -3.367 -7.875 122 2HG LYS 14 1HG LYS 14 1.512 -4.129 -7.615 123 1HD LYS 14 2HD LYS 14 1.906 -4.239 -9.939 124 2HD LYS 14 1HD LYS 14 0.748 -2.928 -9.717 125 1HE LYS 14 2HE LYS 14 2.486 -2.287 -11.299 126 2HE LYS 14 1HE LYS 14 2.560 -1.295 -9.845 127 1HZ LYS 14 1HZ LYS 14 4.263 -3.695 -10.197 128 2HZ LYS 14 2HZ LYS 14 4.460 -2.422 -9.098 129 3HZ LYS 14 3HZ LYS 14 4.740 -2.163 -10.745 130 H GLU 15 H GLU 15 3.075 0.450 -6.884 131 HA GLU 15 HA GLU 15 5.692 -0.413 -7.593 132 1HB GLU 15 2HB GLU 15 4.566 2.380 -7.327 133 2HB GLU 15 1HB GLU 15 6.142 1.996 -8.003 134 1HG GLU 15 2HG GLU 15 4.933 0.567 -9.695 135 2HG GLU 15 1HG GLU 15 3.439 1.298 -9.109 136 H MET 16 H MET 16 4.284 0.761 -4.702 137 HA MET 16 HA MET 16 6.663 1.595 -3.394 138 1HB MET 16 2HB MET 16 4.454 2.259 -2.594 139 2HB MET 16 1HB MET 16 4.048 0.578 -2.274 140 1HG MET 16 2HG MET 16 5.811 0.477 -0.583 141 2HG MET 16 1HG MET 16 6.199 2.170 -0.892 142 1HE MET 16 1HE MET 16 4.553 4.186 -0.357 143 2HE MET 16 2HE MET 16 2.934 3.978 0.313 144 3HE MET 16 3HE MET 16 3.288 3.426 -1.324 145 H ILE 17 H ILE 17 4.816 -1.453 -3.369 146 HA ILE 17 HA ILE 17 6.734 -2.801 -1.717 147 HB ILE 17 HB ILE 17 4.594 -4.049 -3.457 148 1HG1 ILE 17 2HG1 ILE 17 4.410 -3.170 -0.566 149 2HG1 ILE 17 1HG1 ILE 17 3.680 -2.320 -1.922 150 1HG2 ILE 17 1HG2 ILE 17 4.697 -5.878 -1.817 151 2HG2 ILE 17 2HG2 ILE 17 6.020 -5.053 -0.993 152 3HG2 ILE 17 3HG2 ILE 17 6.238 -5.641 -2.641 153 1HD1 ILE 17 1HD1 ILE 17 3.013 -5.115 -1.026 154 2HD1 ILE 17 2HD1 ILE 17 2.273 -4.259 -2.380 155 3HD1 ILE 17 3HD1 ILE 17 2.046 -3.669 -0.733 156 H GLU 18 H GLU 18 6.224 -2.345 -5.106 157 HA GLU 18 HA GLU 18 7.587 -2.569 -6.891 158 1HB GLU 18 2HB GLU 18 9.475 -2.024 -5.410 159 2HB GLU 18 1HB GLU 18 9.628 -3.723 -4.985 160 1HG GLU 18 2HG GLU 18 10.080 -4.235 -7.360 161 2HG GLU 18 1HG GLU 18 10.032 -2.509 -7.711 162 H THR 19 H THR 19 8.068 -5.429 -4.810 163 HA THR 19 HA THR 19 7.130 -7.119 -7.006 164 HB THR 19 HB THR 19 9.620 -6.932 -7.199 165 HG1 THR 19 1HG THR 19 9.422 -8.863 -7.990 166 1HG2 THR 19 1HG2 THR 19 11.026 -8.060 -5.525 167 2HG2 THR 19 2HG2 THR 19 9.604 -8.316 -4.512 168 3HG2 THR 19 3HG2 THR 19 10.174 -6.679 -4.838 169 H HIS 20 H HIS 20 7.574 -9.591 -5.912 170 HA HIS 20 HA HIS 20 5.833 -9.533 -3.569 171 1HB HIS 20 2HB HIS 20 6.807 -11.782 -5.334 172 2HB HIS 20 1HB HIS 20 5.884 -12.058 -3.863 173 HD1 HIS 20 1HD HIS 20 3.642 -12.775 -4.649 174 HD2 HIS 20 2HD HIS 20 5.074 -9.499 -6.783 175 HE1 HIS 20 1HE HIS 20 1.764 -12.079 -6.177 176 HE2 HIS 20 2HE HIS 20 2.701 -10.180 -7.555 177 HA PRO 21 HA PRO 21 9.621 -10.058 -1.208 178 1HB PRO 21 2HB PRO 21 8.741 -9.005 1.074 179 2HB PRO 21 1HB PRO 21 9.054 -7.983 -0.333 180 1HG PRO 21 2HG PRO 21 6.453 -8.977 0.746 181 2HG PRO 21 1HG PRO 21 6.849 -7.395 0.049 182 1HD PRO 21 2HD PRO 21 5.606 -9.496 -1.301 183 2HD PRO 21 1HD PRO 21 6.406 -8.110 -2.063 184 H GLY 22 H GLY 22 10.027 -10.980 1.083 185 1HA GLY 22 2HA GLY 22 8.565 -13.502 1.259 186 2HA GLY 22 1HA GLY 22 10.059 -13.101 2.096 187 H LYS 23 H LYS 23 8.409 -10.458 2.645 188 HA LYS 23 HA LYS 23 7.581 -11.309 5.274 189 1HB LYS 23 2HB LYS 23 8.496 -8.910 4.144 190 2HB LYS 23 1HB LYS 23 6.833 -8.596 4.618 191 1HG LYS 23 2HG LYS 23 8.271 -7.986 6.425 192 2HG LYS 23 1HG LYS 23 7.375 -9.434 6.887 193 1HD LYS 23 2HD LYS 23 9.684 -9.662 7.565 194 2HD LYS 23 1HD LYS 23 9.337 -10.803 6.266 195 1HE LYS 23 2HE LYS 23 10.377 -9.314 4.650 196 2HE LYS 23 1HE LYS 23 10.671 -8.120 5.915 197 1HZ LYS 23 1HZ LYS 23 12.126 -9.691 7.019 198 2HZ LYS 23 2HZ LYS 23 12.648 -9.417 5.430 199 3HZ LYS 23 3HZ LYS 23 11.831 -10.852 5.819 200 H PHE 24 H PHE 24 5.737 -12.473 5.251 201 HA PHE 24 HA PHE 24 3.393 -11.275 3.928 202 1HB PHE 24 2HB PHE 24 2.446 -13.503 3.759 203 2HB PHE 24 1HB PHE 24 4.055 -13.500 3.050 204 HD1 PHE 24 1HD PHE 24 5.984 -14.348 4.547 205 HD2 PHE 24 2HD PHE 24 1.872 -15.084 5.347 206 HE1 PHE 24 1HE PHE 24 6.605 -16.261 5.964 207 HE2 PHE 24 2HE PHE 24 2.486 -16.996 6.768 208 HZ PHE 24 HZ PHE 24 4.856 -17.588 7.078 209 H THR 25 H THR 25 4.523 -10.670 6.556 210 HA THR 25 HA THR 25 2.775 -11.874 8.510 211 HB THR 25 HB THR 25 4.654 -9.532 8.878 212 HG1 THR 25 1HG THR 25 6.261 -11.045 9.295 213 1HG2 THR 25 1HG2 THR 25 3.587 -11.594 10.812 214 2HG2 THR 25 2HG2 THR 25 3.071 -9.911 10.711 215 3HG2 THR 25 3HG2 THR 25 4.718 -10.300 11.208 216 H ASP 26 H ASP 26 0.806 -11.127 9.002 217 HA ASP 26 HA ASP 26 -0.175 -8.836 7.542 218 1HB ASP 26 2HB ASP 26 -2.386 -9.535 8.267 219 2HB ASP 26 1HB ASP 26 -1.487 -10.924 7.664 220 H ASP 27 H ASP 27 1.482 -8.862 10.261 221 HA ASP 27 HA ASP 27 -0.121 -7.154 11.917 222 1HB ASP 27 2HB ASP 27 1.829 -8.592 12.702 223 2HB ASP 27 1HB ASP 27 2.893 -7.401 11.960 224 H PHE 28 H PHE 28 -0.156 -4.920 11.977 225 HA PHE 28 HA PHE 28 0.353 -3.628 9.515 226 1HB PHE 28 2HB PHE 28 -0.493 -2.612 12.216 227 2HB PHE 28 1HB PHE 28 -0.222 -1.520 10.862 228 HD1 PHE 28 1HD PHE 28 -1.725 -1.449 9.003 229 HD2 PHE 28 2HD PHE 28 -2.344 -4.208 12.178 230 HE1 PHE 28 1HE PHE 28 -4.000 -1.888 8.172 231 HE2 PHE 28 2HE PHE 28 -4.618 -4.654 11.356 232 HZ PHE 28 HZ PHE 28 -5.451 -3.493 9.351 233 H ASP 29 H ASP 29 2.300 -4.048 12.324 234 HA ASP 29 HA ASP 29 4.119 -1.914 11.948 235 1HB ASP 29 2HB ASP 29 4.301 -2.975 14.017 236 2HB ASP 29 1HB ASP 29 4.242 -4.586 13.311 237 H THR 30 H THR 30 3.733 -5.007 10.428 238 HA THR 30 HA THR 30 6.284 -5.258 9.248 239 HB THR 30 HB THR 30 3.665 -6.347 8.207 240 HG1 THR 30 1HG THR 30 3.669 -7.474 9.981 241 1HG2 THR 30 1HG2 THR 30 5.062 -8.129 7.275 242 2HG2 THR 30 2HG2 THR 30 6.505 -7.327 7.897 243 3HG2 THR 30 3HG2 THR 30 5.537 -6.552 6.641 244 H ASN 31 H ASN 31 3.187 -4.332 7.713 245 HA ASN 31 HA ASN 31 4.395 -3.509 5.306 246 1HB ASN 31 2HB ASN 31 2.186 -2.398 4.853 247 2HB ASN 31 1HB ASN 31 2.082 -4.108 5.265 248 1HD2 ASN 31 1HD2 ASN 31 1.474 -0.859 6.337 249 2HD2 ASN 31 2HD2 ASN 31 0.429 -1.275 7.646 250 H LYS 32 H LYS 32 3.800 -1.836 8.312 251 HA LYS 32 HA LYS 32 4.027 0.811 7.407 252 1HB LYS 32 2HB LYS 32 3.302 0.121 9.697 253 2HB LYS 32 1HB LYS 32 4.975 -0.275 10.067 254 1HG LYS 32 2HG LYS 32 5.597 2.070 9.661 255 2HG LYS 32 1HG LYS 32 3.902 2.449 9.360 256 1HD LYS 32 2HD LYS 32 4.415 3.065 11.616 257 2HD LYS 32 1HD LYS 32 3.389 1.630 11.663 258 1HE LYS 32 2HE LYS 32 5.362 0.229 11.993 259 2HE LYS 32 1HE LYS 32 6.392 1.658 11.935 260 1HZ LYS 32 1HZ LYS 32 5.250 2.497 13.908 261 2HZ LYS 32 2HZ LYS 32 5.973 0.991 14.203 262 3HZ LYS 32 3HZ LYS 32 4.299 1.094 13.966 263 H LYS 33 H LYS 33 6.506 -1.514 8.428 264 HA LYS 33 HA LYS 33 8.667 0.321 8.051 265 1HB LYS 33 2HB LYS 33 8.631 -2.685 8.301 266 2HB LYS 33 1HB LYS 33 10.104 -1.731 8.189 267 1HG LYS 33 2HG LYS 33 9.354 -0.501 10.238 268 2HG LYS 33 1HG LYS 33 8.054 -1.686 10.389 269 1HD LYS 33 2HD LYS 33 11.008 -2.306 10.350 270 2HD LYS 33 1HD LYS 33 9.988 -2.263 11.788 271 1HE LYS 33 2HE LYS 33 9.577 -4.103 9.437 272 2HE LYS 33 1HE LYS 33 10.388 -4.553 10.938 273 1HZ LYS 33 1HZ LYS 33 8.061 -5.239 10.913 274 2HZ LYS 33 2HZ LYS 33 7.573 -3.628 10.727 275 3HZ LYS 33 3HZ LYS 33 8.357 -4.114 12.146 276 H LEU 34 H LEU 34 6.951 -1.911 6.000 277 HA LEU 34 HA LEU 34 8.848 -1.991 3.891 278 1HB LEU 34 2HB LEU 34 5.850 -2.361 3.811 279 2HB LEU 34 1HB LEU 34 6.943 -2.733 2.492 280 HG LEU 34 HG LEU 34 6.945 -4.084 5.195 281 1HD1 LEU 34 1HD1 LEU 34 4.979 -4.655 3.855 282 2HD1 LEU 34 2HD1 LEU 34 6.079 -6.025 4.003 283 3HD1 LEU 34 3HD1 LEU 34 6.027 -5.095 2.505 284 1HD2 LEU 34 1HD2 LEU 34 8.531 -5.638 4.180 285 2HD2 LEU 34 2HD2 LEU 34 9.169 -3.995 4.183 286 3HD2 LEU 34 3HD2 LEU 34 8.523 -4.688 2.694 287 H VAL 35 H VAL 35 5.970 0.013 4.458 288 HA VAL 35 HA VAL 35 6.032 1.580 2.169 289 HB VAL 35 HB VAL 35 5.249 2.436 4.964 290 1HG1 VAL 35 1HG1 VAL 35 5.594 4.366 3.541 291 2HG1 VAL 35 2HG1 VAL 35 3.872 4.136 3.840 292 3HG1 VAL 35 3HG1 VAL 35 4.571 3.658 2.293 293 1HG2 VAL 35 1HG2 VAL 35 3.990 0.494 4.224 294 2HG2 VAL 35 2HG2 VAL 35 3.581 1.315 2.715 295 3HG2 VAL 35 3HG2 VAL 35 2.959 1.926 4.249 296 H GLU 36 H GLU 36 7.477 2.315 5.332 297 HA GLU 36 HA GLU 36 8.544 4.793 4.528 298 1HB GLU 36 2HB GLU 36 8.009 4.121 6.864 299 2HB GLU 36 1HB GLU 36 9.412 3.063 6.847 300 1HG GLU 36 2HG GLU 36 10.907 4.836 6.840 301 2HG GLU 36 1HG GLU 36 9.699 5.977 6.249 302 H GLU 37 H GLU 37 9.795 1.552 4.344 303 HA GLU 37 HA GLU 37 12.537 2.205 4.045 304 1HB GLU 37 2HB GLU 37 11.764 -0.059 4.623 305 2HB GLU 37 1HB GLU 37 11.029 -0.212 3.035 306 1HG GLU 37 2HG GLU 37 13.214 -0.073 1.987 307 2HG GLU 37 1HG GLU 37 13.973 0.146 3.562 308 H PHE 38 H PHE 38 9.959 1.561 1.678 309 HA PHE 38 HA PHE 38 11.750 2.143 -0.529 310 1HB PHE 38 2HB PHE 38 8.830 1.377 -0.420 311 2HB PHE 38 1HB PHE 38 9.678 1.734 -1.920 312 HD1 PHE 38 1HD PHE 38 9.432 -0.609 0.905 313 HD2 PHE 38 2HD PHE 38 11.149 0.161 -2.909 314 HE1 PHE 38 1HE PHE 38 10.144 -2.960 0.756 315 HE2 PHE 38 2HE PHE 38 11.867 -2.186 -3.065 316 HZ PHE 38 HZ PHE 38 11.363 -3.750 -1.233 317 H SER 39 H SER 39 8.461 3.334 0.142 318 HA SER 39 HA SER 39 9.345 6.064 -0.407 319 1HB SER 39 2HB SER 39 8.548 4.967 -2.556 320 2HB SER 39 1HB SER 39 6.958 4.838 -1.808 321 HG SER 39 HG SER 39 8.360 7.111 -2.669 322 H THR 40 H THR 40 8.729 7.104 1.380 323 HA THR 40 HA THR 40 6.657 6.019 3.046 324 HB THR 40 HB THR 40 8.709 6.901 4.049 325 HG1 THR 40 1HG THR 40 7.688 8.068 5.699 326 1HG2 THR 40 1HG2 THR 40 9.137 9.306 4.145 327 2HG2 THR 40 2HG2 THR 40 7.758 9.601 3.089 328 3HG2 THR 40 3HG2 THR 40 9.165 8.727 2.480 329 H VAL 41 H VAL 41 7.049 8.792 0.930 330 HA VAL 41 HA VAL 41 5.591 10.294 0.063 331 HB VAL 41 HB VAL 41 3.439 8.383 0.996 332 1HG1 VAL 41 1HG1 VAL 41 2.073 9.414 -0.755 333 2HG1 VAL 41 2HG1 VAL 41 3.375 10.551 -1.103 334 3HG1 VAL 41 3HG1 VAL 41 2.562 10.591 0.463 335 1HG2 VAL 41 1HG2 VAL 41 3.517 7.486 -1.278 336 2HG2 VAL 41 2HG2 VAL 41 5.062 7.277 -0.453 337 3HG2 VAL 41 3HG2 VAL 41 4.870 8.551 -1.655 338 H SER 42 H SER 42 5.722 12.135 1.185 339 HA SER 42 HA SER 42 4.963 12.453 3.882 340 1HB SER 42 2HB SER 42 6.557 13.961 2.745 341 2HB SER 42 1HB SER 42 5.243 14.590 1.751 342 HG SER 42 HG SER 42 5.696 14.908 4.523 343 H THR 43 H THR 43 2.959 11.978 4.467 344 HA THR 43 HA THR 43 0.791 13.612 3.396 345 HB THR 43 HB THR 43 -0.720 11.555 3.608 346 HG1 THR 43 1HG THR 43 1.810 10.237 3.399 347 1HG2 THR 43 1HG2 THR 43 -0.135 12.541 1.447 348 2HG2 THR 43 2HG2 THR 43 -0.232 10.783 1.342 349 3HG2 THR 43 3HG2 THR 43 1.343 11.576 1.404 350 H LYS 44 H LYS 44 -0.852 14.033 4.922 351 HA LYS 44 HA LYS 44 -0.153 14.302 7.574 352 1HB LYS 44 2HB LYS 44 -2.070 15.417 6.390 353 2HB LYS 44 1HB LYS 44 -2.973 13.918 6.551 354 1HG LYS 44 2HG LYS 44 -3.573 15.579 8.254 355 2HG LYS 44 1HG LYS 44 -2.923 14.095 8.955 356 1HD LYS 44 2HD LYS 44 -0.876 15.110 9.483 357 2HD LYS 44 1HD LYS 44 -1.171 16.470 8.401 358 1HE LYS 44 2HE LYS 44 -1.404 17.041 10.803 359 2HE LYS 44 1HE LYS 44 -2.863 17.341 9.863 360 1HZ LYS 44 1HZ LYS 44 -3.314 16.292 12.012 361 2HZ LYS 44 2HZ LYS 44 -2.404 14.937 11.554 362 3HZ LYS 44 3HZ LYS 44 -3.829 15.329 10.715 363 H HIS 45 H HIS 45 -2.614 11.959 6.464 364 HA HIS 45 HA HIS 45 -1.193 9.812 7.760 365 1HB HIS 45 2HB HIS 45 -3.689 10.936 8.906 366 2HB HIS 45 1HB HIS 45 -3.576 9.178 8.832 367 HD1 HIS 45 1HD HIS 45 -3.214 11.464 11.311 368 HD2 HIS 45 2HD HIS 45 -0.511 8.739 9.707 369 HE1 HIS 45 1HE HIS 45 -1.462 11.114 13.084 370 HE2 HIS 45 2HE HIS 45 0.280 9.664 11.980 371 H LEU 46 H LEU 46 -2.276 10.741 5.094 372 HA LEU 46 HA LEU 46 -4.197 8.847 4.243 373 1HB LEU 46 2HB LEU 46 -3.654 10.896 2.981 374 2HB LEU 46 1HB LEU 46 -2.056 10.263 2.641 375 HG LEU 46 HG LEU 46 -3.099 8.408 1.359 376 1HD1 LEU 46 1HD1 LEU 46 -5.642 9.950 1.852 377 2HD1 LEU 46 2HD1 LEU 46 -5.263 8.338 2.458 378 3HD1 LEU 46 3HD1 LEU 46 -5.464 8.604 0.726 379 1HD2 LEU 46 1HD2 LEU 46 -3.845 11.194 0.487 380 2HD2 LEU 46 2HD2 LEU 46 -3.769 9.781 -0.563 381 3HD2 LEU 46 3HD2 LEU 46 -2.302 10.387 0.206 382 H ARG 47 H ARG 47 -0.750 8.801 4.648 383 HA ARG 47 HA ARG 47 0.021 6.509 3.315 384 1HB ARG 47 2HB ARG 47 1.563 8.027 4.444 385 2HB ARG 47 1HB ARG 47 0.919 7.547 6.006 386 1HG ARG 47 2HG ARG 47 1.710 5.224 5.520 387 2HG ARG 47 1HG ARG 47 2.520 5.876 4.092 388 1HD ARG 47 2HD ARG 47 3.000 6.708 6.950 389 2HD ARG 47 1HD ARG 47 4.072 5.718 5.961 390 HE ARG 47 HE ARG 47 4.297 7.715 4.494 391 1HH1 ARG 47 1HH1 ARG 47 3.305 8.126 7.836 392 2HH1 ARG 47 2HH1 ARG 47 3.966 9.730 7.962 393 1HH2 ARG 47 1HH2 ARG 47 5.163 9.825 4.680 394 2HH2 ARG 47 2HH2 ARG 47 5.057 10.672 6.194 395 H ASN 48 H ASN 48 -1.736 6.839 6.339 396 HA ASN 48 HA ASN 48 -1.363 4.196 7.263 397 1HB ASN 48 2HB ASN 48 -3.518 6.224 7.890 398 2HB ASN 48 1HB ASN 48 -3.344 4.685 8.728 399 1HD2 ASN 48 1HD2 ASN 48 -2.948 5.593 10.704 400 2HD2 ASN 48 2HD2 ASN 48 -1.475 6.422 11.083 401 H LYS 49 H LYS 49 -3.760 5.697 5.175 402 HA LYS 49 HA LYS 49 -5.486 3.439 5.029 403 1HB LYS 49 2HB LYS 49 -5.110 5.857 3.270 404 2HB LYS 49 1HB LYS 49 -6.247 4.583 2.861 405 1HG LYS 49 2HG LYS 49 -7.449 4.965 4.945 406 2HG LYS 49 1HG LYS 49 -6.291 6.220 5.389 407 1HD LYS 49 2HD LYS 49 -6.999 7.624 3.616 408 2HD LYS 49 1HD LYS 49 -7.929 6.325 2.865 409 1HE LYS 49 2HE LYS 49 -8.528 7.476 5.583 410 2HE LYS 49 1HE LYS 49 -9.305 8.013 4.094 411 1HZ LYS 49 1HZ LYS 49 -9.381 5.220 5.122 412 2HZ LYS 49 2HZ LYS 49 -10.220 5.828 3.777 413 3HZ LYS 49 3HZ LYS 49 -10.620 6.357 5.338 414 H ILE 50 H ILE 50 -2.779 4.597 3.085 415 HA ILE 50 HA ILE 50 -2.857 2.603 1.098 416 HB ILE 50 HB ILE 50 -0.411 4.027 2.164 417 1HG1 ILE 50 2HG1 ILE 50 -2.257 4.833 -0.096 418 2HG1 ILE 50 1HG1 ILE 50 -2.209 5.596 1.489 419 1HG2 ILE 50 1HG2 ILE 50 0.503 3.622 -0.090 420 2HG2 ILE 50 2HG2 ILE 50 -0.939 2.687 -0.488 421 3HG2 ILE 50 3HG2 ILE 50 0.156 2.125 0.776 422 1HD1 ILE 50 1HD1 ILE 50 0.085 6.303 1.076 423 2HD1 ILE 50 2HD1 ILE 50 -1.020 6.912 -0.157 424 3HD1 ILE 50 3HD1 ILE 50 0.032 5.543 -0.514 425 H ALA 51 H ALA 51 -1.045 2.842 4.137 426 HA ALA 51 HA ALA 51 0.293 0.392 3.988 427 1HB ALA 51 1HB ALA 51 0.911 2.153 5.556 428 2HB ALA 51 2HB ALA 51 0.627 0.631 6.399 429 3HB ALA 51 3HB ALA 51 -0.593 1.904 6.443 430 H GLY 52 H GLY 52 -2.835 1.223 5.448 431 1HA GLY 52 2HA GLY 52 -3.432 -1.329 6.487 432 2HA GLY 52 1HA GLY 52 -4.609 -0.084 6.085 433 H TYR 53 H TYR 53 -3.905 0.082 3.295 434 HA TYR 53 HA TYR 53 -5.521 -1.998 2.261 435 1HB TYR 53 2HB TYR 53 -5.276 0.276 1.242 436 2HB TYR 53 1HB TYR 53 -3.658 -0.177 0.722 437 HD1 TYR 53 1HD TYR 53 -7.076 -1.710 0.565 438 HD2 TYR 53 2HD TYR 53 -3.504 -0.699 -1.510 439 HE1 TYR 53 1HE TYR 53 -8.017 -2.660 -1.498 440 HE2 TYR 53 2HE TYR 53 -4.434 -1.649 -3.581 441 HH TYR 53 HH TYR 53 -7.731 -2.470 -3.921 442 H ILE 54 H ILE 54 -2.030 -1.490 2.411 443 HA ILE 54 HA ILE 54 -1.169 -3.619 0.826 444 HB ILE 54 HB ILE 54 0.120 -2.608 3.368 445 1HG1 ILE 54 2HG1 ILE 54 0.656 -1.829 0.493 446 2HG1 ILE 54 1HG1 ILE 54 -0.244 -0.851 1.651 447 1HG2 ILE 54 1HG2 ILE 54 0.991 -4.781 2.722 448 2HG2 ILE 54 2HG2 ILE 54 2.197 -3.528 2.426 449 3HG2 ILE 54 3HG2 ILE 54 1.277 -4.201 1.081 450 1HD1 ILE 54 1HD1 ILE 54 2.636 -1.675 1.909 451 2HD1 ILE 54 2HD1 ILE 54 1.734 -0.683 3.056 452 3HD1 ILE 54 3HD1 ILE 54 2.049 -0.082 1.425 453 H THR 55 H THR 55 -1.793 -3.543 4.329 454 HA THR 55 HA THR 55 -1.309 -6.177 4.967 455 HB THR 55 HB THR 55 -3.662 -4.752 6.162 456 HG1 THR 55 1HG THR 55 -0.958 -4.114 6.803 457 1HG2 THR 55 1HG2 THR 55 -2.999 -6.944 7.035 458 2HG2 THR 55 2HG2 THR 55 -2.731 -5.673 8.229 459 3HG2 THR 55 3HG2 THR 55 -1.370 -6.333 7.323 460 H ARG 56 H ARG 56 -4.296 -4.725 3.705 461 HA ARG 56 HA ARG 56 -5.858 -7.075 3.733 462 1HB ARG 56 2HB ARG 56 -6.095 -4.700 1.869 463 2HB ARG 56 1HB ARG 56 -7.344 -5.893 2.192 464 1HG ARG 56 2HG ARG 56 -7.474 -5.166 4.507 465 2HG ARG 56 1HG ARG 56 -6.184 -3.994 4.226 466 1HD ARG 56 2HD ARG 56 -7.646 -2.943 2.481 467 2HD ARG 56 1HD ARG 56 -8.941 -4.017 3.008 468 HE ARG 56 HE ARG 56 -7.940 -2.670 5.255 469 1HH1 ARG 56 1HH1 ARG 56 -9.774 -2.018 2.338 470 2HH1 ARG 56 2HH1 ARG 56 -10.557 -0.615 3.000 471 1HH2 ARG 56 1HH2 ARG 56 -9.000 -0.825 6.125 472 2HH2 ARG 56 2HH2 ARG 56 -10.122 0.058 5.127 473 H ILE 57 H ILE 57 -3.772 -5.628 1.269 474 HA ILE 57 HA ILE 57 -4.268 -7.424 -0.822 475 HB ILE 57 HB ILE 57 -1.713 -5.952 -0.150 476 1HG1 ILE 57 2HG1 ILE 57 -3.930 -5.289 -2.103 477 2HG1 ILE 57 1HG1 ILE 57 -3.673 -4.505 -0.549 478 1HG2 ILE 57 1HG2 ILE 57 -2.517 -7.298 -2.729 479 2HG2 ILE 57 2HG2 ILE 57 -1.253 -7.840 -1.624 480 3HG2 ILE 57 3HG2 ILE 57 -1.074 -6.313 -2.487 481 1HD1 ILE 57 1HD1 ILE 57 -2.831 -3.144 -2.369 482 2HD1 ILE 57 2HD1 ILE 57 -1.774 -4.461 -2.880 483 3HD1 ILE 57 3HD1 ILE 57 -1.515 -3.675 -1.323 484 H ILE 58 H ILE 58 -1.966 -7.592 1.876 485 HA ILE 58 HA ILE 58 -0.614 -9.927 1.157 486 HB ILE 58 HB ILE 58 -1.339 -8.985 3.942 487 1HG1 ILE 58 2HG1 ILE 58 1.179 -8.545 2.321 488 2HG1 ILE 58 1HG1 ILE 58 -0.072 -7.336 2.589 489 1HG2 ILE 58 1HG2 ILE 58 0.535 -10.340 4.709 490 2HG2 ILE 58 2HG2 ILE 58 0.814 -10.905 3.061 491 3HG2 ILE 58 3HG2 ILE 58 -0.672 -11.342 3.903 492 1HD1 ILE 58 1HD1 ILE 58 1.627 -8.608 4.723 493 2HD1 ILE 58 2HD1 ILE 58 0.384 -7.385 4.980 494 3HD1 ILE 58 3HD1 ILE 58 1.833 -6.988 4.057 495 H SER 59 H SER 59 -3.641 -9.497 2.929 496 HA SER 59 HA SER 59 -4.088 -12.224 3.517 497 1HB SER 59 2HB SER 59 -5.191 -10.178 4.575 498 2HB SER 59 1HB SER 59 -6.235 -10.128 3.157 499 HG SER 59 HG SER 59 -5.981 -12.222 5.063 500 H GLN 60 H GLN 60 -4.717 -10.268 0.684 501 HA GLN 60 HA GLN 60 -6.455 -12.215 -0.567 502 1HB GLN 60 2HB GLN 60 -5.042 -9.882 -1.866 503 2HB GLN 60 1HB GLN 60 -6.446 -10.744 -2.474 504 1HG GLN 60 2HG GLN 60 -7.815 -9.850 -0.711 505 2HG GLN 60 1HG GLN 60 -6.409 -9.091 0.039 506 1HE2 GLN 60 1HE2 GLN 60 -8.844 -7.830 -0.909 507 2HE2 GLN 60 2HE2 GLN 60 -8.363 -6.692 -2.122 508 H GLN 61 H GLN 61 -3.090 -11.441 -0.473 509 HA GLN 61 HA GLN 61 -2.315 -12.436 -2.986 510 1HB GLN 61 2HB GLN 61 -1.060 -10.895 -1.311 511 2HB GLN 61 1HB GLN 61 -0.479 -12.401 -0.616 512 1HG GLN 61 2HG GLN 61 1.130 -11.495 -2.179 513 2HG GLN 61 1HG GLN 61 0.487 -13.031 -2.767 514 1HE2 GLN 61 1HE2 GLN 61 0.502 -9.577 -3.194 515 2HE2 GLN 61 2HE2 GLN 61 -0.200 -9.563 -4.774 516 H LYS 62 H LYS 62 -1.725 -13.885 0.230 517 HA LYS 62 HA LYS 62 -2.054 -16.526 -0.974 518 1HB LYS 62 2HB LYS 62 0.352 -16.042 -1.083 519 2HB LYS 62 1HB LYS 62 0.365 -15.699 0.641 520 1HG LYS 62 2HG LYS 62 -0.111 -17.978 1.170 521 2HG LYS 62 1HG LYS 62 -0.382 -18.365 -0.530 522 1HD LYS 62 2HD LYS 62 1.811 -19.138 0.189 523 2HD LYS 62 1HD LYS 62 1.966 -17.857 -1.013 524 1HE LYS 62 2HE LYS 62 2.396 -16.235 0.768 525 2HE LYS 62 1HE LYS 62 2.225 -17.510 1.975 526 1HZ LYS 62 1HZ LYS 62 4.275 -17.468 -0.176 527 2HZ LYS 62 2HZ LYS 62 4.134 -18.627 1.053 528 3HZ LYS 62 3HZ LYS 62 4.553 -17.031 1.437 Start of MODEL 5 1 1H MET 1 1HT MET 1 -18.382 8.183 -16.340 2 2H MET 1 2HT MET 1 -18.217 8.824 -17.900 3 3H MET 1 3HT MET 1 -19.594 9.182 -16.979 4 HA MET 1 HA MET 1 -18.076 11.046 -17.033 5 1HB MET 1 2HB MET 1 -19.471 10.709 -15.044 6 2HB MET 1 1HB MET 1 -18.254 9.650 -14.345 7 1HG MET 1 2HG MET 1 -16.698 11.488 -14.177 8 2HG MET 1 1HG MET 1 -17.840 12.560 -14.985 9 1HE MET 1 1HE MET 1 -17.477 14.292 -12.972 10 2HE MET 1 2HE MET 1 -16.386 13.157 -12.182 11 3HE MET 1 3HE MET 1 -17.717 13.876 -11.274 12 H GLY 2 H GLY 2 -16.018 11.845 -16.900 13 1HA GLY 2 2HA GLY 2 -13.889 9.860 -16.901 14 2HA GLY 2 1HA GLY 2 -13.736 11.559 -17.335 15 H ASN 3 H ASN 3 -11.729 10.970 -15.926 16 HA ASN 3 HA ASN 3 -10.527 11.433 -14.046 17 1HB ASN 3 2HB ASN 3 -13.027 12.898 -13.142 18 2HB ASN 3 1HB ASN 3 -11.414 13.093 -12.468 19 1HD2 ASN 3 1HD2 ASN 3 -10.023 13.070 -14.992 20 2HD2 ASN 3 2HD2 ASN 3 -10.405 14.562 -15.785 21 H ILE 4 H ILE 4 -11.844 11.772 -11.364 22 HA ILE 4 HA ILE 4 -12.252 10.544 -9.528 23 HB ILE 4 HB ILE 4 -14.327 9.240 -9.534 24 1HG1 ILE 4 2HG1 ILE 4 -14.409 9.767 -12.514 25 2HG1 ILE 4 1HG1 ILE 4 -14.105 8.194 -11.780 26 1HG2 ILE 4 1HG2 ILE 4 -14.464 11.835 -11.050 27 2HG2 ILE 4 2HG2 ILE 4 -14.409 11.641 -9.296 28 3HG2 ILE 4 3HG2 ILE 4 -15.810 11.071 -10.204 29 1HD1 ILE 4 1HD1 ILE 4 -16.631 9.806 -11.486 30 2HD1 ILE 4 2HD1 ILE 4 -16.329 8.208 -10.802 31 3HD1 ILE 4 3HD1 ILE 4 -16.406 8.420 -12.550 32 H ARG 5 H ARG 5 -13.372 7.808 -9.422 33 HA ARG 5 HA ARG 5 -12.639 5.695 -9.105 34 1HB ARG 5 2HB ARG 5 -10.666 6.441 -11.266 35 2HB ARG 5 1HB ARG 5 -10.610 4.882 -10.465 36 1HG ARG 5 2HG ARG 5 -11.795 4.562 -12.474 37 2HG ARG 5 1HG ARG 5 -12.995 4.540 -11.181 38 1HD ARG 5 2HD ARG 5 -13.516 6.897 -11.667 39 2HD ARG 5 1HD ARG 5 -12.360 6.861 -12.995 40 HE ARG 5 HE ARG 5 -14.640 5.009 -12.999 41 1HH1 ARG 5 1HH1 ARG 5 -12.960 7.757 -14.358 42 2HH1 ARG 5 2HH1 ARG 5 -13.884 7.762 -15.830 43 1HH2 ARG 5 1HH2 ARG 5 -15.887 5.031 -14.908 44 2HH2 ARG 5 2HH2 ARG 5 -15.568 6.222 -16.136 45 H THR 6 H THR 6 -9.856 4.793 -8.937 46 HA THR 6 HA THR 6 -8.536 6.558 -7.093 47 HB THR 6 HB THR 6 -10.426 5.622 -5.726 48 HG1 THR 6 1HG THR 6 -8.262 6.203 -4.863 49 1HG2 THR 6 1HG2 THR 6 -8.978 3.002 -6.117 50 2HG2 THR 6 2HG2 THR 6 -10.576 3.410 -6.740 51 3HG2 THR 6 3HG2 THR 6 -10.312 3.284 -5.000 52 H SER 7 H SER 7 -8.166 4.849 -9.522 53 HA SER 7 HA SER 7 -6.502 2.653 -8.938 54 1HB SER 7 2HB SER 7 -6.413 4.316 -11.457 55 2HB SER 7 1HB SER 7 -6.085 2.590 -11.279 56 HG SER 7 HG SER 7 -8.169 2.926 -12.130 57 H PHE 8 H PHE 8 -5.945 5.998 -8.792 58 HA PHE 8 HA PHE 8 -3.249 6.184 -9.583 59 1HB PHE 8 2HB PHE 8 -4.503 7.931 -7.473 60 2HB PHE 8 1HB PHE 8 -3.278 8.360 -8.662 61 HD1 PHE 8 1HD PHE 8 -6.795 8.109 -7.945 62 HD2 PHE 8 2HD PHE 8 -3.939 8.623 -11.058 63 HE1 PHE 8 1HE PHE 8 -8.565 8.967 -9.423 64 HE2 PHE 8 2HE PHE 8 -5.704 9.479 -12.540 65 HZ PHE 8 HZ PHE 8 -8.019 9.652 -11.723 66 H VAL 9 H VAL 9 -4.565 6.361 -6.291 67 HA VAL 9 HA VAL 9 -2.070 6.001 -5.023 68 HB VAL 9 HB VAL 9 -4.811 5.495 -3.859 69 1HG1 VAL 9 1HG1 VAL 9 -2.198 6.207 -2.539 70 2HG1 VAL 9 2HG1 VAL 9 -3.017 4.645 -2.469 71 3HG1 VAL 9 3HG1 VAL 9 -3.755 6.062 -1.723 72 1HG2 VAL 9 1HG2 VAL 9 -3.242 8.067 -3.993 73 2HG2 VAL 9 2HG2 VAL 9 -4.748 7.826 -3.107 74 3HG2 VAL 9 3HG2 VAL 9 -4.731 7.701 -4.867 75 H LYS 10 H LYS 10 -4.574 3.804 -6.062 76 HA LYS 10 HA LYS 10 -3.802 1.514 -4.660 77 1HB LYS 10 2HB LYS 10 -5.923 1.734 -5.900 78 2HB LYS 10 1HB LYS 10 -5.033 1.691 -7.415 79 1HG LYS 10 2HG LYS 10 -4.262 -0.572 -6.889 80 2HG LYS 10 1HG LYS 10 -5.184 -0.531 -5.386 81 1HD LYS 10 2HD LYS 10 -7.250 -0.218 -6.692 82 2HD LYS 10 1HD LYS 10 -6.304 -0.313 -8.177 83 1HE LYS 10 2HE LYS 10 -5.611 -2.584 -7.585 84 2HE LYS 10 1HE LYS 10 -6.569 -2.491 -6.107 85 1HZ LYS 10 1HZ LYS 10 -7.604 -2.358 -8.888 86 2HZ LYS 10 2HZ LYS 10 -8.551 -2.178 -7.491 87 3HZ LYS 10 3HZ LYS 10 -7.782 -3.658 -7.810 88 H ARG 11 H ARG 11 -2.724 2.773 -7.811 89 HA ARG 11 HA ARG 11 -1.031 0.521 -8.293 90 1HB ARG 11 2HB ARG 11 -2.007 2.027 -10.088 91 2HB ARG 11 1HB ARG 11 -0.790 3.215 -9.631 92 1HG ARG 11 2HG ARG 11 0.970 1.568 -10.116 93 2HG ARG 11 1HG ARG 11 -0.268 0.424 -10.634 94 1HD ARG 11 2HD ARG 11 -0.973 2.110 -12.347 95 2HD ARG 11 1HD ARG 11 0.441 3.065 -11.896 96 HE ARG 11 HE ARG 11 0.549 0.347 -13.054 97 1HH1 ARG 11 1HH1 ARG 11 1.953 3.517 -12.528 98 2HH1 ARG 11 2HH1 ARG 11 3.358 3.193 -13.501 99 1HH2 ARG 11 1HH2 ARG 11 2.370 -0.055 -14.372 100 2HH2 ARG 11 2HH2 ARG 11 3.576 1.180 -14.583 101 H ILE 12 H ILE 12 -0.660 3.583 -6.669 102 HA ILE 12 HA ILE 12 2.143 3.719 -6.592 103 HB ILE 12 HB ILE 12 0.152 4.619 -4.494 104 1HG1 ILE 12 2HG1 ILE 12 1.551 6.150 -6.704 105 2HG1 ILE 12 1HG1 ILE 12 -0.140 5.665 -6.718 106 1HG2 ILE 12 1HG2 ILE 12 3.051 5.385 -4.837 107 2HG2 ILE 12 2HG2 ILE 12 2.399 4.361 -3.558 108 3HG2 ILE 12 3HG2 ILE 12 1.931 6.058 -3.652 109 1HD1 ILE 12 1HD1 ILE 12 -0.550 7.081 -4.762 110 2HD1 ILE 12 2HD1 ILE 12 0.075 7.999 -6.133 111 3HD1 ILE 12 3HD1 ILE 12 1.140 7.586 -4.788 112 H ALA 13 H ALA 13 -0.165 2.074 -4.459 113 HA ALA 13 HA ALA 13 1.751 0.948 -2.715 114 1HB ALA 13 1HB ALA 13 -0.025 -0.579 -2.038 115 2HB ALA 13 2HB ALA 13 -0.984 -0.103 -3.440 116 3HB ALA 13 3HB ALA 13 -0.634 1.072 -2.171 117 H LYS 14 H LYS 14 0.371 -0.101 -5.765 118 HA LYS 14 HA LYS 14 1.478 -2.670 -5.907 119 1HB LYS 14 2HB LYS 14 -0.271 -2.006 -7.418 120 2HB LYS 14 1HB LYS 14 0.691 -0.677 -8.040 121 1HG LYS 14 2HG LYS 14 1.591 -3.512 -8.392 122 2HG LYS 14 1HG LYS 14 0.398 -2.794 -9.475 123 1HD LYS 14 2HD LYS 14 2.009 -0.956 -9.933 124 2HD LYS 14 1HD LYS 14 3.201 -1.807 -8.953 125 1HE LYS 14 2HE LYS 14 2.860 -3.776 -10.519 126 2HE LYS 14 1HE LYS 14 1.987 -2.656 -11.568 127 1HZ LYS 14 1HZ LYS 14 4.188 -1.253 -11.138 128 2HZ LYS 14 2HZ LYS 14 4.050 -2.365 -12.412 129 3HZ LYS 14 3HZ LYS 14 4.834 -2.819 -10.979 130 H GLU 15 H GLU 15 2.759 0.490 -6.854 131 HA GLU 15 HA GLU 15 5.161 -0.506 -8.007 132 1HB GLU 15 2HB GLU 15 4.482 2.232 -6.922 133 2HB GLU 15 1HB GLU 15 5.912 1.858 -7.873 134 1HG GLU 15 2HG GLU 15 3.145 1.342 -8.907 135 2HG GLU 15 1HG GLU 15 3.924 2.912 -9.069 136 H MET 16 H MET 16 4.203 0.299 -4.756 137 HA MET 16 HA MET 16 6.810 0.445 -3.619 138 1HB MET 16 2HB MET 16 4.809 1.353 -2.509 139 2HB MET 16 1HB MET 16 4.177 -0.278 -2.315 140 1HG MET 16 2HG MET 16 6.125 -0.835 -0.919 141 2HG MET 16 1HG MET 16 6.684 0.829 -1.070 142 1HE MET 16 1HE MET 16 3.751 2.289 -1.017 143 2HE MET 16 2HE MET 16 5.200 2.922 -0.236 144 3HE MET 16 3HE MET 16 3.703 2.748 0.683 145 H ILE 17 H ILE 17 4.364 -2.129 -3.705 146 HA ILE 17 HA ILE 17 6.109 -4.096 -2.532 147 HB ILE 17 HB ILE 17 3.486 -4.617 -3.948 148 1HG1 ILE 17 2HG1 ILE 17 3.933 -3.864 -1.046 149 2HG1 ILE 17 1HG1 ILE 17 3.232 -2.806 -2.269 150 1HG2 ILE 17 1HG2 ILE 17 4.810 -6.600 -3.390 151 2HG2 ILE 17 2HG2 ILE 17 3.346 -6.520 -2.414 152 3HG2 ILE 17 3HG2 ILE 17 4.898 -6.072 -1.709 153 1HD1 ILE 17 1HD1 ILE 17 1.347 -4.318 -2.512 154 2HD1 ILE 17 2HD1 ILE 17 1.533 -3.810 -0.834 155 3HD1 ILE 17 3HD1 ILE 17 2.059 -5.418 -1.335 156 H GLU 18 H GLU 18 6.145 -2.742 -5.482 157 HA GLU 18 HA GLU 18 6.045 -4.819 -7.341 158 1HB GLU 18 2HB GLU 18 5.914 -2.542 -8.067 159 2HB GLU 18 1HB GLU 18 7.486 -2.171 -7.380 160 1HG GLU 18 2HG GLU 18 7.552 -2.335 -9.815 161 2HG GLU 18 1HG GLU 18 8.577 -3.539 -9.040 162 H THR 19 H THR 19 7.293 -6.455 -7.736 163 HA THR 19 HA THR 19 9.142 -7.666 -8.223 164 HB THR 19 HB THR 19 10.660 -5.189 -7.423 165 HG1 THR 19 1HG THR 19 9.212 -5.585 -9.486 166 1HG2 THR 19 1HG2 THR 19 11.673 -7.720 -8.732 167 2HG2 THR 19 2HG2 THR 19 12.070 -7.157 -7.107 168 3HG2 THR 19 3HG2 THR 19 12.598 -6.234 -8.514 169 H HIS 20 H HIS 20 9.679 -5.797 -5.195 170 HA HIS 20 HA HIS 20 10.181 -8.378 -3.904 171 1HB HIS 20 2HB HIS 20 12.381 -7.484 -4.544 172 2HB HIS 20 1HB HIS 20 12.048 -6.015 -3.632 173 HD1 HIS 20 1HD HIS 20 12.411 -9.743 -3.058 174 HD2 HIS 20 2HD HIS 20 12.793 -6.148 -1.000 175 HE1 HIS 20 1HE HIS 20 13.319 -10.351 -0.792 176 HE2 HIS 20 2HE HIS 20 13.306 -8.190 0.508 177 HA PRO 21 HA PRO 21 7.627 -6.168 -0.873 178 1HB PRO 21 2HB PRO 21 6.701 -8.464 0.251 179 2HB PRO 21 1HB PRO 21 5.951 -7.721 -1.165 180 1HG PRO 21 2HG PRO 21 7.828 -10.038 -1.011 181 2HG PRO 21 1HG PRO 21 6.408 -9.812 -2.045 182 1HD PRO 21 2HD PRO 21 8.966 -9.455 -2.914 183 2HD PRO 21 1HD PRO 21 7.576 -8.585 -3.592 184 H GLY 22 H GLY 22 8.283 -5.706 1.191 185 1HA GLY 22 2HA GLY 22 10.809 -6.793 2.047 186 2HA GLY 22 1HA GLY 22 9.891 -5.530 2.850 187 H LYS 23 H LYS 23 9.875 -9.028 2.247 188 HA LYS 23 HA LYS 23 9.269 -10.813 3.506 189 1HB LYS 23 2HB LYS 23 11.000 -9.775 4.998 190 2HB LYS 23 1HB LYS 23 9.707 -8.961 5.860 191 1HG LYS 23 2HG LYS 23 9.635 -11.927 5.610 192 2HG LYS 23 1HG LYS 23 10.748 -11.183 6.756 193 1HD LYS 23 2HD LYS 23 7.794 -10.600 6.678 194 2HD LYS 23 1HD LYS 23 8.512 -11.851 7.689 195 1HE LYS 23 2HE LYS 23 8.224 -9.940 9.060 196 2HE LYS 23 1HE LYS 23 9.947 -10.057 8.711 197 1HZ LYS 23 1HZ LYS 23 8.923 -7.781 8.551 198 2HZ LYS 23 2HZ LYS 23 8.133 -8.316 7.149 199 3HZ LYS 23 3HZ LYS 23 9.825 -8.278 7.206 200 H PHE 24 H PHE 24 7.161 -11.114 2.923 201 HA PHE 24 HA PHE 24 5.174 -9.223 3.836 202 1HB PHE 24 2HB PHE 24 3.631 -10.383 2.291 203 2HB PHE 24 1HB PHE 24 5.090 -9.807 1.503 204 HD1 PHE 24 1HD PHE 24 6.972 -11.553 1.147 205 HD2 PHE 24 2HD PHE 24 2.923 -12.560 2.003 206 HE1 PHE 24 1HE PHE 24 7.330 -13.794 0.206 207 HE2 PHE 24 2HE PHE 24 3.281 -14.807 1.065 208 HZ PHE 24 HZ PHE 24 5.487 -15.424 0.166 209 H THR 25 H THR 25 5.753 -10.202 6.085 210 HA THR 25 HA THR 25 3.852 -12.326 6.717 211 HB THR 25 HB THR 25 5.683 -10.752 8.547 212 HG1 THR 25 1HG THR 25 6.540 -13.131 8.559 213 1HG2 THR 25 1HG2 THR 25 4.014 -13.213 9.088 214 2HG2 THR 25 2HG2 THR 25 3.713 -11.596 9.729 215 3HG2 THR 25 3HG2 THR 25 5.163 -12.480 10.210 216 H ASP 26 H ASP 26 1.838 -11.912 7.438 217 HA ASP 26 HA ASP 26 0.900 -9.236 7.192 218 1HB ASP 26 2HB ASP 26 -1.333 -10.251 7.851 219 2HB ASP 26 1HB ASP 26 -0.590 -10.867 6.382 220 H ASP 27 H ASP 27 2.214 -8.309 8.791 221 HA ASP 27 HA ASP 27 0.723 -8.095 11.307 222 1HB ASP 27 2HB ASP 27 2.847 -9.419 11.671 223 2HB ASP 27 1HB ASP 27 3.749 -8.005 11.138 224 H PHE 28 H PHE 28 0.371 -5.982 11.875 225 HA PHE 28 HA PHE 28 0.528 -4.115 9.789 226 1HB PHE 28 2HB PHE 28 -0.232 -3.850 12.683 227 2HB PHE 28 1HB PHE 28 -0.232 -2.467 11.594 228 HD1 PHE 28 1HD PHE 28 -1.797 -5.717 12.316 229 HD2 PHE 28 2HD PHE 28 -1.900 -2.206 9.916 230 HE1 PHE 28 1HE PHE 28 -4.045 -6.331 11.517 231 HE2 PHE 28 2HE PHE 28 -4.145 -2.809 9.118 232 HZ PHE 28 HZ PHE 28 -5.221 -4.874 9.918 233 H ASP 29 H ASP 29 2.804 -4.886 12.219 234 HA ASP 29 HA ASP 29 4.177 -2.424 12.408 235 1HB ASP 29 2HB ASP 29 4.449 -4.568 13.830 236 2HB ASP 29 1HB ASP 29 5.521 -5.117 12.548 237 H THR 30 H THR 30 4.504 -5.205 10.258 238 HA THR 30 HA THR 30 6.835 -4.329 8.946 239 HB THR 30 HB THR 30 4.713 -6.280 8.030 240 HG1 THR 30 1HG THR 30 5.682 -7.585 9.388 241 1HG2 THR 30 1HG2 THR 30 6.032 -5.479 6.128 242 2HG2 THR 30 2HG2 THR 30 6.437 -7.153 6.510 243 3HG2 THR 30 3HG2 THR 30 7.521 -5.851 6.996 244 H ASN 31 H ASN 31 3.411 -4.251 7.872 245 HA ASN 31 HA ASN 31 4.016 -3.133 5.370 246 1HB ASN 31 2HB ASN 31 1.554 -2.544 5.298 247 2HB ASN 31 1HB ASN 31 1.940 -4.241 5.552 248 1HD2 ASN 31 1HD2 ASN 31 0.554 -1.392 6.908 249 2HD2 ASN 31 2HD2 ASN 31 -0.079 -2.132 8.332 250 H LYS 32 H LYS 32 3.070 -1.526 8.423 251 HA LYS 32 HA LYS 32 2.907 1.030 7.166 252 1HB LYS 32 2HB LYS 32 2.014 1.675 9.109 253 2HB LYS 32 1HB LYS 32 2.206 0.024 9.663 254 1HG LYS 32 2HG LYS 32 4.503 1.881 9.966 255 2HG LYS 32 1HG LYS 32 3.116 2.072 11.039 256 1HD LYS 32 2HD LYS 32 3.332 -0.255 11.738 257 2HD LYS 32 1HD LYS 32 4.690 -0.470 10.635 258 1HE LYS 32 2HE LYS 32 5.993 1.145 11.864 259 2HE LYS 32 1HE LYS 32 4.625 1.501 12.914 260 1HZ LYS 32 1HZ LYS 32 6.227 0.008 13.961 261 2HZ LYS 32 2HZ LYS 32 6.007 -1.125 12.723 262 3HZ LYS 32 3HZ LYS 32 4.719 -0.749 13.763 263 H LYS 33 H LYS 33 5.468 -0.809 8.601 264 HA LYS 33 HA LYS 33 7.333 1.348 8.787 265 1HB LYS 33 2HB LYS 33 7.417 -0.694 10.185 266 2HB LYS 33 1HB LYS 33 7.802 -1.635 8.755 267 1HG LYS 33 2HG LYS 33 9.925 -0.615 8.542 268 2HG LYS 33 1HG LYS 33 9.522 0.628 9.730 269 1HD LYS 33 2HD LYS 33 9.681 -2.321 10.338 270 2HD LYS 33 1HD LYS 33 10.992 -1.174 10.620 271 1HE LYS 33 2HE LYS 33 9.695 0.036 12.208 272 2HE LYS 33 1HE LYS 33 8.238 -0.861 11.789 273 1HZ LYS 33 1HZ LYS 33 9.418 -1.521 13.899 274 2HZ LYS 33 2HZ LYS 33 10.624 -2.197 12.916 275 3HZ LYS 33 3HZ LYS 33 9.035 -2.772 12.831 276 H LEU 34 H LEU 34 6.420 -0.969 6.337 277 HA LEU 34 HA LEU 34 8.623 -0.553 4.606 278 1HB LEU 34 2HB LEU 34 5.790 -1.388 3.985 279 2HB LEU 34 1HB LEU 34 7.113 -1.439 2.839 280 HG LEU 34 HG LEU 34 6.894 -3.060 5.376 281 1HD1 LEU 34 1HD1 LEU 34 6.750 -4.968 3.852 282 2HD1 LEU 34 2HD1 LEU 34 6.758 -3.865 2.475 283 3HD1 LEU 34 3HD1 LEU 34 5.413 -3.841 3.618 284 1HD2 LEU 34 1HD2 LEU 34 9.207 -2.479 4.958 285 2HD2 LEU 34 2HD2 LEU 34 9.061 -3.002 3.280 286 3HD2 LEU 34 3HD2 LEU 34 8.937 -4.182 4.586 287 H VAL 35 H VAL 35 5.369 0.888 4.713 288 HA VAL 35 HA VAL 35 5.753 2.682 2.572 289 HB VAL 35 HB VAL 35 3.953 3.201 4.941 290 1HG1 VAL 35 1HG1 VAL 35 4.175 5.056 3.386 291 2HG1 VAL 35 2HG1 VAL 35 2.562 4.351 3.278 292 3HG1 VAL 35 3HG1 VAL 35 3.765 3.996 2.037 293 1HG2 VAL 35 1HG2 VAL 35 3.421 1.468 2.531 294 2HG2 VAL 35 2HG2 VAL 35 2.201 1.986 3.693 295 3HG2 VAL 35 3HG2 VAL 35 3.523 0.939 4.211 296 H GLU 36 H GLU 36 6.708 2.765 5.898 297 HA GLU 36 HA GLU 36 7.176 5.521 6.202 298 1HB GLU 36 2HB GLU 36 7.108 3.989 8.107 299 2HB GLU 36 1HB GLU 36 8.557 3.178 7.525 300 1HG GLU 36 2HG GLU 36 9.744 5.381 7.746 301 2HG GLU 36 1HG GLU 36 8.312 5.977 8.580 302 H GLU 37 H GLU 37 8.808 3.244 4.238 303 HA GLU 37 HA GLU 37 10.937 5.122 3.709 304 1HB GLU 37 2HB GLU 37 11.567 3.781 5.793 305 2HB GLU 37 1HB GLU 37 11.713 2.396 4.726 306 1HG GLU 37 2HG GLU 37 13.486 3.442 3.507 307 2HG GLU 37 1HG GLU 37 13.259 4.953 4.389 308 H PHE 38 H PHE 38 9.086 4.381 1.979 309 HA PHE 38 HA PHE 38 10.742 3.168 -0.067 310 1HB PHE 38 2HB PHE 38 8.133 1.995 0.810 311 2HB PHE 38 1HB PHE 38 8.531 1.976 -0.905 312 HD1 PHE 38 1HD PHE 38 11.166 1.247 -1.238 313 HD2 PHE 38 2HD PHE 38 8.554 0.021 1.892 314 HE1 PHE 38 1HE PHE 38 12.522 -0.781 -0.905 315 HE2 PHE 38 2HE PHE 38 9.908 -2.005 2.232 316 HZ PHE 38 HZ PHE 38 11.892 -2.410 0.836 317 H SER 39 H SER 39 7.276 3.633 -0.372 318 HA SER 39 HA SER 39 7.707 5.854 -2.187 319 1HB SER 39 2HB SER 39 5.069 4.697 -1.265 320 2HB SER 39 1HB SER 39 5.385 5.628 -2.731 321 HG SER 39 HG SER 39 6.792 3.857 -3.370 322 H THR 40 H THR 40 8.663 6.862 -0.037 323 HA THR 40 HA THR 40 6.586 8.033 1.638 324 HB THR 40 HB THR 40 9.571 8.351 1.961 325 HG1 THR 40 1HG THR 40 7.895 6.349 3.118 326 1HG2 THR 40 1HG2 THR 40 8.191 9.882 3.269 327 2HG2 THR 40 2HG2 THR 40 8.969 8.702 4.322 328 3HG2 THR 40 3HG2 THR 40 7.263 8.527 3.907 329 H VAL 41 H VAL 41 5.717 9.492 0.141 330 HA VAL 41 HA VAL 41 7.059 12.030 0.087 331 HB VAL 41 HB VAL 41 8.051 11.191 -1.919 332 1HG1 VAL 41 1HG1 VAL 41 6.764 10.303 -3.800 333 2HG1 VAL 41 2HG1 VAL 41 5.291 10.393 -2.833 334 3HG1 VAL 41 3HG1 VAL 41 6.592 9.300 -2.360 335 1HG2 VAL 41 1HG2 VAL 41 7.180 12.719 -3.605 336 2HG2 VAL 41 2HG2 VAL 41 7.234 13.493 -2.021 337 3HG2 VAL 41 3HG2 VAL 41 5.698 12.921 -2.672 338 H SER 42 H SER 42 5.514 13.246 0.885 339 HA SER 42 HA SER 42 3.528 14.250 1.270 340 1HB SER 42 2HB SER 42 2.728 13.128 -1.425 341 2HB SER 42 1HB SER 42 1.904 14.422 -0.555 342 HG SER 42 HG SER 42 4.563 14.929 -0.803 343 H THR 43 H THR 43 3.958 11.068 1.349 344 HA THR 43 HA THR 43 1.198 10.236 1.661 345 HB THR 43 HB THR 43 2.402 7.991 2.196 346 HG1 THR 43 1HG THR 43 4.511 7.998 1.068 347 1HG2 THR 43 1HG2 THR 43 1.174 8.418 0.133 348 2HG2 THR 43 2HG2 THR 43 2.658 7.526 -0.206 349 3HG2 THR 43 3HG2 THR 43 2.571 9.256 -0.543 350 H LYS 44 H LYS 44 1.727 12.099 3.510 351 HA LYS 44 HA LYS 44 2.819 11.253 5.954 352 1HB LYS 44 2HB LYS 44 0.656 13.298 5.422 353 2HB LYS 44 1HB LYS 44 1.541 13.134 6.934 354 1HG LYS 44 2HG LYS 44 3.577 13.791 5.913 355 2HG LYS 44 1HG LYS 44 2.873 13.684 4.299 356 1HD LYS 44 2HD LYS 44 1.352 15.533 4.858 357 2HD LYS 44 1HD LYS 44 2.095 15.648 6.455 358 1HE LYS 44 2HE LYS 44 4.211 16.247 5.485 359 2HE LYS 44 1HE LYS 44 3.589 15.967 3.860 360 1HZ LYS 44 1HZ LYS 44 2.633 18.064 5.735 361 2HZ LYS 44 2HZ LYS 44 2.046 17.796 4.170 362 3HZ LYS 44 3HZ LYS 44 3.644 18.318 4.396 363 H HIS 45 H HIS 45 -0.664 11.903 5.569 364 HA HIS 45 HA HIS 45 -1.264 9.770 7.440 365 1HB HIS 45 2HB HIS 45 -2.980 11.800 6.014 366 2HB HIS 45 1HB HIS 45 -3.675 10.498 6.973 367 HD1 HIS 45 1HD HIS 45 -3.685 13.718 7.519 368 HD2 HIS 45 2HD HIS 45 -1.528 10.770 9.512 369 HE1 HIS 45 1HE HIS 45 -3.158 14.673 9.787 370 HE2 HIS 45 2HE HIS 45 -2.009 12.806 11.035 371 H LEU 46 H LEU 46 -0.921 10.129 4.106 372 HA LEU 46 HA LEU 46 -2.708 8.122 3.214 373 1HB LEU 46 2HB LEU 46 -0.160 9.202 2.007 374 2HB LEU 46 1HB LEU 46 -1.172 8.020 1.206 375 HG LEU 46 HG LEU 46 -1.698 10.109 0.245 376 1HD1 LEU 46 1HD1 LEU 46 -3.843 9.498 2.270 377 2HD1 LEU 46 2HD1 LEU 46 -3.631 8.704 0.710 378 3HD1 LEU 46 3HD1 LEU 46 -4.045 10.416 0.778 379 1HD2 LEU 46 1HD2 LEU 46 -2.054 11.198 3.034 380 2HD2 LEU 46 2HD2 LEU 46 -2.378 12.073 1.538 381 3HD2 LEU 46 3HD2 LEU 46 -0.734 11.570 1.924 382 H ARG 47 H ARG 47 0.455 8.092 4.644 383 HA ARG 47 HA ARG 47 1.338 5.533 4.021 384 1HB ARG 47 2HB ARG 47 2.743 7.151 5.182 385 2HB ARG 47 1HB ARG 47 1.678 7.115 6.581 386 1HG ARG 47 2HG ARG 47 2.301 4.852 7.071 387 2HG ARG 47 1HG ARG 47 3.235 4.743 5.578 388 1HD ARG 47 2HD ARG 47 4.712 5.083 7.467 389 2HD ARG 47 1HD ARG 47 4.742 6.492 6.409 390 HE ARG 47 HE ARG 47 2.870 7.123 8.285 391 1HH1 ARG 47 1HH1 ARG 47 6.211 6.099 8.425 392 2HH1 ARG 47 2HH1 ARG 47 6.558 6.964 9.889 393 1HH2 ARG 47 1HH2 ARG 47 3.298 8.244 10.218 394 2HH2 ARG 47 2HH2 ARG 47 4.886 8.164 10.933 395 H ASN 48 H ASN 48 -1.035 6.614 6.358 396 HA ASN 48 HA ASN 48 -1.277 4.196 7.804 397 1HB ASN 48 2HB ASN 48 -2.132 6.409 8.582 398 2HB ASN 48 1HB ASN 48 -3.388 6.320 7.353 399 1HD2 ASN 48 1HD2 ASN 48 -2.173 3.666 9.316 400 2HD2 ASN 48 2HD2 ASN 48 -3.649 3.380 10.166 401 H LYS 49 H LYS 49 -2.999 5.523 5.012 402 HA LYS 49 HA LYS 49 -4.856 3.360 4.848 403 1HB LYS 49 2HB LYS 49 -4.173 5.566 2.902 404 2HB LYS 49 1HB LYS 49 -5.490 4.418 2.677 405 1HG LYS 49 2HG LYS 49 -6.556 5.210 4.707 406 2HG LYS 49 1HG LYS 49 -5.221 6.326 4.989 407 1HD LYS 49 2HD LYS 49 -5.774 7.580 3.021 408 2HD LYS 49 1HD LYS 49 -6.984 6.386 2.545 409 1HE LYS 49 2HE LYS 49 -8.314 6.919 4.510 410 2HE LYS 49 1HE LYS 49 -7.086 8.062 5.052 411 1HZ LYS 49 1HZ LYS 49 -7.566 9.507 3.285 412 2HZ LYS 49 2HZ LYS 49 -9.083 9.015 3.866 413 3HZ LYS 49 3HZ LYS 49 -8.461 8.338 2.442 414 H ILE 50 H ILE 50 -1.954 4.284 3.011 415 HA ILE 50 HA ILE 50 -2.086 2.206 1.116 416 HB ILE 50 HB ILE 50 0.353 3.652 2.170 417 1HG1 ILE 50 2HG1 ILE 50 -1.307 4.098 -0.324 418 2HG1 ILE 50 1HG1 ILE 50 -1.351 5.106 1.120 419 1HG2 ILE 50 1HG2 ILE 50 0.995 1.550 1.132 420 2HG2 ILE 50 2HG2 ILE 50 1.452 2.903 0.097 421 3HG2 ILE 50 3HG2 ILE 50 0.030 1.937 -0.291 422 1HD1 ILE 50 1HD1 ILE 50 1.047 4.693 -0.650 423 2HD1 ILE 50 2HD1 ILE 50 0.959 5.748 0.762 424 3HD1 ILE 50 3HD1 ILE 50 -0.017 6.099 -0.664 425 H ALA 51 H ALA 51 -0.529 2.389 4.294 426 HA ALA 51 HA ALA 51 0.682 -0.137 4.290 427 1HB ALA 51 1HB ALA 51 0.711 0.049 6.714 428 2HB ALA 51 2HB ALA 51 -0.476 1.350 6.646 429 3HB ALA 51 3HB ALA 51 1.137 1.593 5.976 430 H GLY 52 H GLY 52 -2.573 0.899 5.219 431 1HA GLY 52 2HA GLY 52 -3.548 -1.571 6.127 432 2HA GLY 52 1HA GLY 52 -4.529 -0.274 5.457 433 H TYR 53 H TYR 53 -3.530 -0.153 2.876 434 HA TYR 53 HA TYR 53 -4.885 -2.198 1.542 435 1HB TYR 53 2HB TYR 53 -2.872 -0.154 0.684 436 2HB TYR 53 1HB TYR 53 -3.326 -1.433 -0.435 437 HD1 TYR 53 1HD TYR 53 -5.784 -1.693 -1.023 438 HD2 TYR 53 2HD TYR 53 -4.241 1.741 0.959 439 HE1 TYR 53 1HE TYR 53 -7.769 -0.415 -1.703 440 HE2 TYR 53 2HE TYR 53 -6.227 3.027 0.285 441 HH TYR 53 HH TYR 53 -7.955 2.966 -1.445 442 H ILE 54 H ILE 54 -1.438 -1.860 2.305 443 HA ILE 54 HA ILE 54 -0.475 -4.056 0.892 444 HB ILE 54 HB ILE 54 0.516 -3.014 3.553 445 1HG1 ILE 54 2HG1 ILE 54 1.363 -2.355 0.721 446 2HG1 ILE 54 1HG1 ILE 54 0.464 -1.292 1.801 447 1HG2 ILE 54 1HG2 ILE 54 1.912 -4.714 1.490 448 2HG2 ILE 54 2HG2 ILE 54 1.368 -5.250 3.080 449 3HG2 ILE 54 3HG2 ILE 54 2.650 -4.047 2.945 450 1HD1 ILE 54 1HD1 ILE 54 2.384 -1.261 3.329 451 2HD1 ILE 54 2HD1 ILE 54 2.786 -0.648 1.725 452 3HD1 ILE 54 3HD1 ILE 54 3.281 -2.274 2.198 453 H THR 55 H THR 55 -1.483 -3.954 4.333 454 HA THR 55 HA THR 55 -1.260 -6.673 4.860 455 HB THR 55 HB THR 55 -3.469 -5.909 6.337 456 HG1 THR 55 1HG THR 55 -3.281 -3.777 5.464 457 1HG2 THR 55 1HG2 THR 55 -0.540 -5.516 6.961 458 2HG2 THR 55 2HG2 THR 55 -1.470 -6.993 7.212 459 3HG2 THR 55 3HG2 THR 55 -1.841 -5.547 8.150 460 H ARG 56 H ARG 56 -3.958 -4.885 3.414 461 HA ARG 56 HA ARG 56 -5.767 -7.059 3.393 462 1HB ARG 56 2HB ARG 56 -5.661 -4.582 1.668 463 2HB ARG 56 1HB ARG 56 -6.977 -5.747 1.634 464 1HG ARG 56 2HG ARG 56 -7.254 -5.301 4.108 465 2HG ARG 56 1HG ARG 56 -6.172 -3.926 3.878 466 1HD ARG 56 2HD ARG 56 -8.449 -3.161 3.732 467 2HD ARG 56 1HD ARG 56 -7.709 -3.067 2.134 468 HE ARG 56 HE ARG 56 -8.878 -5.430 1.944 469 1HH1 ARG 56 1HH1 ARG 56 -10.126 -2.419 3.244 470 2HH1 ARG 56 2HH1 ARG 56 -11.787 -2.833 2.945 471 1HH2 ARG 56 1HH2 ARG 56 -11.071 -5.969 1.552 472 2HH2 ARG 56 2HH2 ARG 56 -12.323 -4.857 2.012 473 H ILE 57 H ILE 57 -3.441 -5.860 1.011 474 HA ILE 57 HA ILE 57 -4.131 -7.668 -1.054 475 HB ILE 57 HB ILE 57 -1.518 -6.240 -0.530 476 1HG1 ILE 57 2HG1 ILE 57 -3.807 -5.608 -2.411 477 2HG1 ILE 57 1HG1 ILE 57 -3.457 -4.764 -0.903 478 1HG2 ILE 57 1HG2 ILE 57 -2.456 -7.671 -3.015 479 2HG2 ILE 57 2HG2 ILE 57 -1.158 -8.198 -1.944 480 3HG2 ILE 57 3HG2 ILE 57 -0.982 -6.713 -2.880 481 1HD1 ILE 57 1HD1 ILE 57 -1.707 -4.843 -3.351 482 2HD1 ILE 57 2HD1 ILE 57 -1.313 -4.030 -1.836 483 3HD1 ILE 57 3HD1 ILE 57 -2.686 -3.485 -2.798 484 H ILE 58 H ILE 58 -1.629 -7.786 1.475 485 HA ILE 58 HA ILE 58 -0.475 -10.235 0.772 486 HB ILE 58 HB ILE 58 -0.812 -9.035 3.531 487 1HG1 ILE 58 2HG1 ILE 58 1.551 -9.003 1.637 488 2HG1 ILE 58 1HG1 ILE 58 0.451 -7.652 1.901 489 1HG2 ILE 58 1HG2 ILE 58 1.014 -11.254 2.613 490 2HG2 ILE 58 2HG2 ILE 58 -0.368 -11.423 3.695 491 3HG2 ILE 58 3HG2 ILE 58 1.042 -10.496 4.204 492 1HD1 ILE 58 1HD1 ILE 58 1.144 -7.580 4.257 493 2HD1 ILE 58 2HD1 ILE 58 2.492 -7.335 3.147 494 3HD1 ILE 58 3HD1 ILE 58 2.282 -8.893 3.945 495 H SER 59 H SER 59 -3.132 -9.565 3.041 496 HA SER 59 HA SER 59 -3.649 -12.259 3.692 497 1HB SER 59 2HB SER 59 -4.413 -10.344 5.051 498 2HB SER 59 1HB SER 59 -5.532 -9.890 3.770 499 HG SER 59 HG SER 59 -5.665 -12.514 4.734 500 H GLN 60 H GLN 60 -4.655 -10.245 1.031 501 HA GLN 60 HA GLN 60 -6.823 -11.853 0.143 502 1HB GLN 60 2HB GLN 60 -6.374 -9.427 -0.450 503 2HB GLN 60 1HB GLN 60 -5.121 -10.005 -1.536 504 1HG GLN 60 2HG GLN 60 -7.148 -9.527 -2.750 505 2HG GLN 60 1HG GLN 60 -6.802 -11.256 -2.795 506 1HE2 GLN 60 1HE2 GLN 60 -8.867 -8.779 -1.471 507 2HE2 GLN 60 2HE2 GLN 60 -10.137 -9.837 -0.965 508 H GLN 61 H GLN 61 -3.376 -11.920 -0.301 509 HA GLN 61 HA GLN 61 -3.492 -13.817 -2.476 510 1HB GLN 61 2HB GLN 61 -1.159 -12.749 -0.884 511 2HB GLN 61 1HB GLN 61 -1.010 -13.860 -2.238 512 1HG GLN 61 2HG GLN 61 -2.311 -11.162 -2.470 513 2HG GLN 61 1HG GLN 61 -0.590 -11.427 -2.727 514 1HE2 GLN 61 1HE2 GLN 61 -3.073 -13.728 -3.694 515 2HE2 GLN 61 2HE2 GLN 61 -2.861 -13.509 -5.393 516 H LYS 62 H LYS 62 -3.046 -13.887 1.006 517 HA LYS 62 HA LYS 62 -2.612 -16.785 0.836 518 1HB LYS 62 2HB LYS 62 -1.978 -16.626 3.249 519 2HB LYS 62 1HB LYS 62 -0.916 -15.745 2.162 520 1HG LYS 62 2HG LYS 62 -1.816 -13.659 2.836 521 2HG LYS 62 1HG LYS 62 -3.150 -14.434 3.692 522 1HD LYS 62 2HD LYS 62 -1.519 -13.694 5.296 523 2HD LYS 62 1HD LYS 62 -1.505 -15.457 5.235 524 1HE LYS 62 2HE LYS 62 0.446 -15.303 3.677 525 2HE LYS 62 1HE LYS 62 0.476 -13.566 3.983 526 1HZ LYS 62 1HZ LYS 62 0.682 -14.150 6.403 527 2HZ LYS 62 2HZ LYS 62 2.027 -14.547 5.448 528 3HZ LYS 62 3HZ LYS 62 0.945 -15.757 5.921 Start of MODEL 6 1 1H MET 1 1HT MET 1 -17.417 10.373 -16.031 2 2H MET 1 2HT MET 1 -18.487 11.685 -15.924 3 3H MET 1 3HT MET 1 -19.054 10.170 -16.433 4 HA MET 1 HA MET 1 -19.726 10.553 -14.181 5 1HB MET 1 2HB MET 1 -17.486 8.533 -14.452 6 2HB MET 1 1HB MET 1 -18.602 8.592 -13.097 7 1HG MET 1 2HG MET 1 -19.364 8.123 -15.969 8 2HG MET 1 1HG MET 1 -19.200 6.877 -14.733 9 1HE MET 1 1HE MET 1 -23.061 6.946 -15.235 10 2HE MET 1 2HE MET 1 -21.619 5.936 -15.119 11 3HE MET 1 3HE MET 1 -21.792 7.077 -16.452 12 H GLY 2 H GLY 2 -19.325 11.350 -12.163 13 1HA GLY 2 2HA GLY 2 -16.920 12.867 -11.730 14 2HA GLY 2 1HA GLY 2 -18.228 12.631 -10.576 15 H ASN 3 H ASN 3 -15.231 11.381 -11.814 16 HA ASN 3 HA ASN 3 -15.326 9.157 -9.919 17 1HB ASN 3 2HB ASN 3 -13.245 8.409 -11.239 18 2HB ASN 3 1HB ASN 3 -14.813 8.298 -12.024 19 1HD2 ASN 3 1HD2 ASN 3 -13.849 8.304 -14.053 20 2HD2 ASN 3 2HD2 ASN 3 -13.197 9.742 -14.753 21 H ILE 4 H ILE 4 -14.444 9.452 -8.011 22 HA ILE 4 HA ILE 4 -12.207 11.236 -7.607 23 HB ILE 4 HB ILE 4 -13.881 10.861 -5.816 24 1HG1 ILE 4 2HG1 ILE 4 -11.095 9.942 -5.061 25 2HG1 ILE 4 1HG1 ILE 4 -11.584 11.619 -5.271 26 1HG2 ILE 4 1HG2 ILE 4 -12.707 8.086 -5.660 27 2HG2 ILE 4 2HG2 ILE 4 -14.330 8.496 -6.216 28 3HG2 ILE 4 3HG2 ILE 4 -13.876 8.782 -4.536 29 1HD1 ILE 4 1HD1 ILE 4 -12.593 9.703 -3.183 30 2HD1 ILE 4 2HD1 ILE 4 -13.183 11.349 -3.413 31 3HD1 ILE 4 3HD1 ILE 4 -11.509 11.072 -2.929 32 H ARG 5 H ARG 5 -12.799 7.889 -8.234 33 HA ARG 5 HA ARG 5 -11.480 6.206 -8.916 34 1HB ARG 5 2HB ARG 5 -9.612 8.521 -9.348 35 2HB ARG 5 1HB ARG 5 -9.106 6.867 -9.681 36 1HG ARG 5 2HG ARG 5 -10.398 6.690 -11.513 37 2HG ARG 5 1HG ARG 5 -11.692 7.673 -10.828 38 1HD ARG 5 2HD ARG 5 -10.611 8.737 -12.767 39 2HD ARG 5 1HD ARG 5 -10.468 9.692 -11.295 40 HE ARG 5 HE ARG 5 -8.170 9.224 -11.227 41 1HH1 ARG 5 1HH1 ARG 5 -9.706 7.613 -13.925 42 2HH1 ARG 5 2HH1 ARG 5 -8.257 7.547 -14.882 43 1HH2 ARG 5 1HH2 ARG 5 -6.248 9.108 -12.471 44 2HH2 ARG 5 2HH2 ARG 5 -6.281 8.344 -14.031 45 H THR 6 H THR 6 -9.080 5.326 -8.540 46 HA THR 6 HA THR 6 -8.036 5.702 -5.886 47 HB THR 6 HB THR 6 -9.245 2.983 -6.506 48 HG1 THR 6 1HG THR 6 -10.466 5.256 -5.562 49 1HG2 THR 6 1HG2 THR 6 -8.928 2.574 -4.123 50 2HG2 THR 6 2HG2 THR 6 -8.279 4.200 -3.918 51 3HG2 THR 6 3HG2 THR 6 -7.398 3.015 -4.881 52 H SER 7 H SER 7 -7.437 5.656 -8.799 53 HA SER 7 HA SER 7 -6.014 3.315 -9.493 54 1HB SER 7 2HB SER 7 -5.568 6.018 -10.733 55 2HB SER 7 1HB SER 7 -5.561 4.432 -11.507 56 HG SER 7 HG SER 7 -7.636 4.618 -11.822 57 H PHE 8 H PHE 8 -5.096 6.388 -8.043 58 HA PHE 8 HA PHE 8 -2.301 6.112 -8.324 59 1HB PHE 8 2HB PHE 8 -3.971 7.679 -6.361 60 2HB PHE 8 1HB PHE 8 -2.213 7.748 -6.388 61 HD1 PHE 8 1HD PHE 8 -5.258 8.969 -7.836 62 HD2 PHE 8 2HD PHE 8 -1.070 8.552 -8.483 63 HE1 PHE 8 1HE PHE 8 -5.354 10.720 -9.554 64 HE2 PHE 8 2HE PHE 8 -1.162 10.308 -10.207 65 HZ PHE 8 HZ PHE 8 -3.305 11.394 -10.743 66 H VAL 9 H VAL 9 -4.557 5.025 -5.849 67 HA VAL 9 HA VAL 9 -2.657 4.290 -3.909 68 HB VAL 9 HB VAL 9 -5.381 3.063 -4.370 69 1HG1 VAL 9 1HG1 VAL 9 -5.283 2.497 -1.992 70 2HG1 VAL 9 2HG1 VAL 9 -3.654 3.165 -1.899 71 3HG1 VAL 9 3HG1 VAL 9 -3.966 1.735 -2.884 72 1HG2 VAL 9 1HG2 VAL 9 -4.586 5.404 -2.641 73 2HG2 VAL 9 2HG2 VAL 9 -6.192 4.682 -2.735 74 3HG2 VAL 9 3HG2 VAL 9 -5.510 5.496 -4.142 75 H LYS 10 H LYS 10 -4.331 2.322 -6.359 76 HA LYS 10 HA LYS 10 -2.962 -0.076 -5.859 77 1HB LYS 10 2HB LYS 10 -5.018 0.033 -7.195 78 2HB LYS 10 1HB LYS 10 -4.173 0.945 -8.438 79 1HG LYS 10 2HG LYS 10 -2.671 -1.013 -8.762 80 2HG LYS 10 1HG LYS 10 -3.700 -1.918 -7.648 81 1HD LYS 10 2HD LYS 10 -4.626 -0.615 -10.208 82 2HD LYS 10 1HD LYS 10 -4.265 -2.332 -10.017 83 1HE LYS 10 2HE LYS 10 -6.048 -2.576 -8.413 84 2HE LYS 10 1HE LYS 10 -6.347 -0.838 -8.427 85 1HZ LYS 10 1HZ LYS 10 -6.643 -2.594 -10.803 86 2HZ LYS 10 2HZ LYS 10 -7.094 -0.963 -10.676 87 3HZ LYS 10 3HZ LYS 10 -7.927 -2.147 -9.787 88 H ARG 11 H ARG 11 -2.286 2.609 -8.033 89 HA ARG 11 HA ARG 11 -0.113 1.546 -9.418 90 1HB ARG 11 2HB ARG 11 -1.190 3.520 -10.198 91 2HB ARG 11 1HB ARG 11 -0.878 4.366 -8.690 92 1HG ARG 11 2HG ARG 11 1.508 4.393 -9.195 93 2HG ARG 11 1HG ARG 11 1.195 3.532 -10.708 94 1HD ARG 11 2HD ARG 11 -0.016 5.344 -11.603 95 2HD ARG 11 1HD ARG 11 -0.130 6.144 -10.038 96 HE ARG 11 HE ARG 11 2.481 6.178 -10.362 97 1HH1 ARG 11 1HH1 ARG 11 -0.025 6.768 -12.732 98 2HH1 ARG 11 2HH1 ARG 11 0.894 7.955 -13.613 99 1HH2 ARG 11 1HH2 ARG 11 3.695 7.758 -11.510 100 2HH2 ARG 11 2HH2 ARG 11 3.020 8.483 -12.936 101 H ILE 12 H ILE 12 -0.078 3.692 -6.562 102 HA ILE 12 HA ILE 12 2.712 3.657 -6.206 103 HB ILE 12 HB ILE 12 0.526 4.143 -4.176 104 1HG1 ILE 12 2HG1 ILE 12 2.256 6.083 -5.728 105 2HG1 ILE 12 1HG1 ILE 12 0.579 5.707 -6.108 106 1HG2 ILE 12 1HG2 ILE 12 2.585 3.525 -3.049 107 2HG2 ILE 12 2HG2 ILE 12 2.262 5.245 -2.829 108 3HG2 ILE 12 3HG2 ILE 12 3.482 4.718 -3.990 109 1HD1 ILE 12 1HD1 ILE 12 0.789 7.817 -4.909 110 2HD1 ILE 12 2HD1 ILE 12 1.553 6.976 -3.560 111 3HD1 ILE 12 3HD1 ILE 12 -0.124 6.633 -3.975 112 H ALA 13 H ALA 13 0.145 1.637 -4.820 113 HA ALA 13 HA ALA 13 1.740 0.162 -3.048 114 1HB ALA 13 1HB ALA 13 -0.748 -0.755 -4.485 115 2HB ALA 13 2HB ALA 13 -0.712 0.167 -2.981 116 3HB ALA 13 3HB ALA 13 -0.059 -1.471 -3.029 117 H LYS 14 H LYS 14 0.912 -0.399 -6.446 118 HA LYS 14 HA LYS 14 2.077 -2.923 -6.750 119 1HB LYS 14 2HB LYS 14 0.591 -1.686 -8.390 120 2HB LYS 14 1HB LYS 14 2.011 -0.765 -8.863 121 1HG LYS 14 2HG LYS 14 3.123 -2.897 -9.479 122 2HG LYS 14 1HG LYS 14 1.609 -3.735 -9.136 123 1HD LYS 14 2HD LYS 14 1.592 -3.378 -11.460 124 2HD LYS 14 1HD LYS 14 0.539 -2.122 -10.804 125 1HE LYS 14 2HE LYS 14 1.927 -1.073 -12.423 126 2HE LYS 14 1HE LYS 14 2.532 -0.585 -10.841 127 1HZ LYS 14 1HZ LYS 14 4.217 -2.374 -11.044 128 2HZ LYS 14 2HZ LYS 14 4.378 -1.166 -12.219 129 3HZ LYS 14 3HZ LYS 14 3.686 -2.655 -12.627 130 H GLU 15 H GLU 15 3.453 0.302 -7.281 131 HA GLU 15 HA GLU 15 6.029 -0.639 -8.025 132 1HB GLU 15 2HB GLU 15 5.056 2.061 -7.086 133 2HB GLU 15 1HB GLU 15 6.696 1.758 -7.644 134 1HG GLU 15 2HG GLU 15 5.912 1.187 -9.831 135 2HG GLU 15 1HG GLU 15 4.234 1.257 -9.299 136 H MET 16 H MET 16 4.511 0.047 -4.969 137 HA MET 16 HA MET 16 6.910 0.096 -3.424 138 1HB MET 16 2HB MET 16 4.766 1.030 -2.620 139 2HB MET 16 1HB MET 16 4.103 -0.597 -2.550 140 1HG MET 16 2HG MET 16 5.816 -1.201 -0.894 141 2HG MET 16 1HG MET 16 6.410 0.457 -0.932 142 1HE MET 16 1HE MET 16 3.278 2.415 0.434 143 2HE MET 16 2HE MET 16 3.626 2.032 -1.253 144 3HE MET 16 3HE MET 16 4.925 2.564 -0.184 145 H ILE 17 H ILE 17 4.595 -2.422 -4.323 146 HA ILE 17 HA ILE 17 5.795 -4.519 -2.839 147 HB ILE 17 HB ILE 17 4.178 -4.715 -5.394 148 1HG1 ILE 17 2HG1 ILE 17 2.935 -3.588 -3.606 149 2HG1 ILE 17 1HG1 ILE 17 2.269 -5.187 -3.917 150 1HG2 ILE 17 1HG2 ILE 17 4.829 -6.813 -3.326 151 2HG2 ILE 17 2HG2 ILE 17 5.441 -6.745 -4.980 152 3HG2 ILE 17 3HG2 ILE 17 3.725 -7.024 -4.687 153 1HD1 ILE 17 1HD1 ILE 17 4.098 -4.447 -1.649 154 2HD1 ILE 17 2HD1 ILE 17 3.428 -6.050 -1.954 155 3HD1 ILE 17 3HD1 ILE 17 2.357 -4.710 -1.543 156 H GLU 18 H GLU 18 6.076 -3.516 -6.227 157 HA GLU 18 HA GLU 18 8.232 -5.230 -6.873 158 1HB GLU 18 2HB GLU 18 7.269 -2.628 -8.058 159 2HB GLU 18 1HB GLU 18 8.625 -3.531 -8.722 160 1HG GLU 18 2HG GLU 18 7.220 -5.402 -9.216 161 2HG GLU 18 1HG GLU 18 5.856 -4.651 -8.384 162 H THR 19 H THR 19 10.444 -4.460 -7.360 163 HA THR 19 HA THR 19 12.424 -3.488 -6.805 164 HB THR 19 HB THR 19 10.901 -1.369 -5.284 165 HG1 THR 19 1HG THR 19 10.062 -0.931 -7.186 166 1HG2 THR 19 1HG2 THR 19 13.574 -1.355 -6.690 167 2HG2 THR 19 2HG2 THR 19 13.317 -1.372 -4.946 168 3HG2 THR 19 3HG2 THR 19 12.829 0.033 -5.894 169 H HIS 20 H HIS 20 10.162 -3.183 -4.050 170 HA HIS 20 HA HIS 20 12.220 -4.417 -2.335 171 1HB HIS 20 2HB HIS 20 12.164 -1.947 -2.070 172 2HB HIS 20 1HB HIS 20 10.471 -2.055 -1.617 173 HD1 HIS 20 1HD HIS 20 13.864 -3.210 -0.371 174 HD2 HIS 20 2HD HIS 20 10.054 -2.339 1.039 175 HE1 HIS 20 1HE HIS 20 14.043 -3.245 2.137 176 HE2 HIS 20 2HE HIS 20 11.808 -2.400 2.934 177 HA PRO 21 HA PRO 21 8.161 -6.521 -1.720 178 1HB PRO 21 2HB PRO 21 8.852 -8.993 -2.452 179 2HB PRO 21 1HB PRO 21 8.538 -7.737 -3.655 180 1HG PRO 21 2HG PRO 21 11.132 -8.853 -2.714 181 2HG PRO 21 1HG PRO 21 10.671 -8.286 -4.327 182 1HD PRO 21 2HD PRO 21 12.122 -6.843 -2.397 183 2HD PRO 21 1HD PRO 21 11.396 -6.187 -3.874 184 H GLY 22 H GLY 22 10.605 -6.111 0.128 185 1HA GLY 22 2HA GLY 22 10.799 -8.552 1.629 186 2HA GLY 22 1HA GLY 22 11.508 -7.003 2.060 187 H LYS 23 H LYS 23 8.756 -9.081 2.344 188 HA LYS 23 HA LYS 23 7.784 -7.384 4.541 189 1HB LYS 23 2HB LYS 23 6.125 -8.913 2.528 190 2HB LYS 23 1HB LYS 23 5.482 -8.216 4.010 191 1HG LYS 23 2HG LYS 23 6.147 -5.996 3.267 192 2HG LYS 23 1HG LYS 23 6.802 -6.685 1.781 193 1HD LYS 23 2HD LYS 23 4.606 -7.430 1.114 194 2HD LYS 23 1HD LYS 23 3.922 -6.894 2.650 195 1HE LYS 23 2HE LYS 23 5.205 -5.121 0.577 196 2HE LYS 23 1HE LYS 23 3.471 -5.300 0.846 197 1HZ LYS 23 1HZ LYS 23 3.793 -4.451 3.106 198 2HZ LYS 23 2HZ LYS 23 4.290 -3.327 1.941 199 3HZ LYS 23 3HZ LYS 23 5.442 -4.224 2.793 200 H PHE 24 H PHE 24 6.992 -8.481 6.358 201 HA PHE 24 HA PHE 24 8.068 -11.178 6.588 202 1HB PHE 24 2HB PHE 24 8.590 -9.281 8.245 203 2HB PHE 24 1HB PHE 24 6.955 -9.526 8.853 204 HD1 PHE 24 1HD PHE 24 6.368 -11.560 10.058 205 HD2 PHE 24 2HD PHE 24 10.322 -10.904 8.628 206 HE1 PHE 24 1HE PHE 24 7.188 -13.371 11.507 207 HE2 PHE 24 2HE PHE 24 11.148 -12.715 10.073 208 HZ PHE 24 HZ PHE 24 9.580 -13.952 11.514 209 H THR 25 H THR 25 5.200 -9.599 8.017 210 HA THR 25 HA THR 25 3.538 -11.833 7.101 211 HB THR 25 HB THR 25 2.416 -11.737 9.418 212 HG1 THR 25 1HG THR 25 3.805 -11.056 11.097 213 1HG2 THR 25 1HG2 THR 25 3.696 -13.659 8.643 214 2HG2 THR 25 2HG2 THR 25 3.992 -13.361 10.357 215 3HG2 THR 25 3HG2 THR 25 5.193 -12.883 9.156 216 H ASP 26 H ASP 26 1.181 -11.117 8.354 217 HA ASP 26 HA ASP 26 0.292 -8.886 6.799 218 1HB ASP 26 2HB ASP 26 -1.901 -9.337 7.838 219 2HB ASP 26 1HB ASP 26 -1.168 -10.806 7.201 220 H ASP 27 H ASP 27 2.254 -8.452 9.070 221 HA ASP 27 HA ASP 27 0.872 -7.067 11.136 222 1HB ASP 27 2HB ASP 27 3.030 -8.114 11.545 223 2HB ASP 27 1HB ASP 27 3.790 -7.061 10.357 224 H PHE 28 H PHE 28 0.217 -5.028 11.225 225 HA PHE 28 HA PHE 28 0.152 -3.391 8.946 226 1HB PHE 28 2HB PHE 28 -0.365 -2.701 11.841 227 2HB PHE 28 1HB PHE 28 -0.732 -1.641 10.486 228 HD1 PHE 28 1HD PHE 28 -1.818 -4.445 12.463 229 HD2 PHE 28 2HD PHE 28 -2.450 -2.342 8.820 230 HE1 PHE 28 1HE PHE 28 -4.030 -5.497 12.248 231 HE2 PHE 28 2HE PHE 28 -4.668 -3.390 8.598 232 HZ PHE 28 HZ PHE 28 -5.458 -4.969 10.313 233 H ASP 29 H ASP 29 2.214 -3.323 11.816 234 HA ASP 29 HA ASP 29 3.431 -0.827 11.281 235 1HB ASP 29 2HB ASP 29 3.471 -1.932 13.504 236 2HB ASP 29 1HB ASP 29 4.548 -3.161 12.851 237 H THR 30 H THR 30 4.243 -4.139 10.453 238 HA THR 30 HA THR 30 6.706 -3.673 9.197 239 HB THR 30 HB THR 30 4.648 -5.788 8.529 240 HG1 THR 30 1HG THR 30 5.281 -5.772 10.759 241 1HG2 THR 30 1HG2 THR 30 7.642 -5.742 8.093 242 2HG2 THR 30 2HG2 THR 30 6.420 -5.571 6.834 243 3HG2 THR 30 3HG2 THR 30 6.558 -7.087 7.723 244 H ASN 31 H ASN 31 3.391 -3.739 7.829 245 HA ASN 31 HA ASN 31 4.207 -3.069 5.211 246 1HB ASN 31 2HB ASN 31 1.592 -2.885 6.677 247 2HB ASN 31 1HB ASN 31 1.758 -2.244 5.042 248 1HD2 ASN 31 1HD2 ASN 31 0.234 -4.570 6.146 249 2HD2 ASN 31 2HD2 ASN 31 0.746 -5.914 5.184 250 H LYS 32 H LYS 32 3.310 -1.117 8.005 251 HA LYS 32 HA LYS 32 3.430 1.427 6.831 252 1HB LYS 32 2HB LYS 32 2.607 1.037 9.112 253 2HB LYS 32 1HB LYS 32 4.221 0.569 9.626 254 1HG LYS 32 2HG LYS 32 4.727 3.027 8.632 255 2HG LYS 32 1HG LYS 32 3.068 3.239 9.196 256 1HD LYS 32 2HD LYS 32 5.369 2.194 10.843 257 2HD LYS 32 1HD LYS 32 4.704 3.826 10.927 258 1HE LYS 32 2HE LYS 32 2.611 2.998 11.747 259 2HE LYS 32 1HE LYS 32 3.107 1.329 11.470 260 1HZ LYS 32 1HZ LYS 32 4.769 1.533 13.168 261 2HZ LYS 32 2HZ LYS 32 3.281 2.020 13.817 262 3HZ LYS 32 3HZ LYS 32 4.433 3.182 13.376 263 H LYS 33 H LYS 33 5.933 -0.660 8.129 264 HA LYS 33 HA LYS 33 8.118 1.043 8.102 265 1HB LYS 33 2HB LYS 33 8.173 -1.140 9.150 266 2HB LYS 33 1HB LYS 33 7.952 -1.932 7.599 267 1HG LYS 33 2HG LYS 33 10.267 -0.252 7.501 268 2HG LYS 33 1HG LYS 33 10.356 -1.319 8.904 269 1HD LYS 33 2HD LYS 33 9.876 -3.241 7.420 270 2HD LYS 33 1HD LYS 33 9.910 -2.145 6.038 271 1HE LYS 33 2HE LYS 33 12.190 -2.667 7.936 272 2HE LYS 33 1HE LYS 33 12.032 -3.329 6.309 273 1HZ LYS 33 1HZ LYS 33 13.500 -1.389 6.383 274 2HZ LYS 33 2HZ LYS 33 12.223 -0.433 6.961 275 3HZ LYS 33 3HZ LYS 33 12.141 -1.106 5.406 276 H LEU 34 H LEU 34 6.821 -0.982 5.480 277 HA LEU 34 HA LEU 34 8.845 -0.175 3.624 278 1HB LEU 34 2HB LEU 34 6.252 -1.647 3.330 279 2HB LEU 34 1HB LEU 34 7.125 -1.098 1.913 280 HG LEU 34 HG LEU 34 9.133 -2.377 2.870 281 1HD1 LEU 34 1HD1 LEU 34 8.275 -2.714 5.117 282 2HD1 LEU 34 2HD1 LEU 34 8.589 -4.258 4.321 283 3HD1 LEU 34 3HD1 LEU 34 6.935 -3.664 4.472 284 1HD2 LEU 34 1HD2 LEU 34 8.344 -4.485 1.899 285 2HD2 LEU 34 2HD2 LEU 34 7.913 -3.094 0.900 286 3HD2 LEU 34 3HD2 LEU 34 6.693 -3.867 1.913 287 H VAL 35 H VAL 35 5.652 1.033 4.444 288 HA VAL 35 HA VAL 35 5.382 2.825 2.256 289 HB VAL 35 HB VAL 35 4.210 3.092 5.037 290 1HG1 VAL 35 1HG1 VAL 35 2.519 4.503 3.973 291 2HG1 VAL 35 2HG1 VAL 35 3.371 4.370 2.434 292 3HG1 VAL 35 3HG1 VAL 35 4.134 5.192 3.796 293 1HG2 VAL 35 1HG2 VAL 35 3.055 1.841 2.550 294 2HG2 VAL 35 2HG2 VAL 35 2.199 2.082 4.073 295 3HG2 VAL 35 3HG2 VAL 35 3.578 0.985 4.000 296 H GLU 36 H GLU 36 6.965 3.007 5.365 297 HA GLU 36 HA GLU 36 7.648 5.726 5.413 298 1HB GLU 36 2HB GLU 36 7.977 4.226 7.329 299 2HB GLU 36 1HB GLU 36 9.194 3.329 6.435 300 1HG GLU 36 2HG GLU 36 10.421 4.692 7.856 301 2HG GLU 36 1HG GLU 36 10.468 5.546 6.315 302 H GLU 37 H GLU 37 9.272 2.933 3.978 303 HA GLU 37 HA GLU 37 11.569 4.365 3.111 304 1HB GLU 37 2HB GLU 37 10.475 1.708 2.172 305 2HB GLU 37 1HB GLU 37 12.084 2.322 1.826 306 1HG GLU 37 2HG GLU 37 12.573 2.302 4.242 307 2HG GLU 37 1HG GLU 37 10.979 1.609 4.532 308 H PHE 38 H PHE 38 8.686 3.159 1.389 309 HA PHE 38 HA PHE 38 9.582 4.711 -0.945 310 1HB PHE 38 2HB PHE 38 7.979 2.154 -0.802 311 2HB PHE 38 1HB PHE 38 8.211 3.076 -2.286 312 HD1 PHE 38 1HD PHE 38 9.924 1.090 0.297 313 HD2 PHE 38 2HD PHE 38 10.244 3.018 -3.482 314 HE1 PHE 38 1HE PHE 38 12.072 -0.035 -0.093 315 HE2 PHE 38 2HE PHE 38 12.393 1.891 -3.878 316 HZ PHE 38 HZ PHE 38 13.311 0.366 -2.183 317 H SER 39 H SER 39 6.769 3.925 -2.043 318 HA SER 39 HA SER 39 4.822 4.990 -2.409 319 1HB SER 39 2HB SER 39 4.416 4.712 0.037 320 2HB SER 39 1HB SER 39 5.184 6.275 0.310 321 HG SER 39 HG SER 39 3.207 6.970 0.068 322 H THR 40 H THR 40 3.930 7.400 -2.515 323 HA THR 40 HA THR 40 6.221 9.005 -3.436 324 HB THR 40 HB THR 40 3.396 9.204 -4.489 325 HG1 THR 40 1HG THR 40 4.446 8.075 -6.351 326 1HG2 THR 40 1HG2 THR 40 6.045 10.214 -5.531 327 2HG2 THR 40 2HG2 THR 40 4.752 11.199 -4.845 328 3HG2 THR 40 3HG2 THR 40 4.503 10.354 -6.374 329 H VAL 41 H VAL 41 2.836 9.966 -2.956 330 HA VAL 41 HA VAL 41 3.819 12.035 -1.121 331 HB VAL 41 HB VAL 41 2.761 13.015 -3.045 332 1HG1 VAL 41 1HG1 VAL 41 0.445 12.607 -3.667 333 2HG1 VAL 41 2HG1 VAL 41 0.303 11.395 -2.395 334 3HG1 VAL 41 3HG1 VAL 41 1.390 11.120 -3.756 335 1HG2 VAL 41 1HG2 VAL 41 0.928 13.187 -0.658 336 2HG2 VAL 41 2HG2 VAL 41 1.004 14.346 -1.985 337 3HG2 VAL 41 3HG2 VAL 41 2.392 14.135 -0.919 338 H SER 42 H SER 42 3.817 10.918 0.773 339 HA SER 42 HA SER 42 1.307 9.650 1.610 340 1HB SER 42 2HB SER 42 4.016 9.333 2.909 341 2HB SER 42 1HB SER 42 2.595 8.301 3.098 342 HG SER 42 HG SER 42 4.561 8.015 1.387 343 H THR 43 H THR 43 0.081 11.069 2.711 344 HA THR 43 HA THR 43 1.227 12.967 4.533 345 HB THR 43 HB THR 43 -1.377 12.950 5.234 346 HG1 THR 43 1HG THR 43 -1.540 12.363 2.473 347 1HG2 THR 43 1HG2 THR 43 -1.707 14.734 3.575 348 2HG2 THR 43 2HG2 THR 43 -0.232 14.231 2.749 349 3HG2 THR 43 3HG2 THR 43 -0.147 14.882 4.386 350 H LYS 44 H LYS 44 0.449 12.957 6.878 351 HA LYS 44 HA LYS 44 1.731 10.714 7.994 352 1HB LYS 44 2HB LYS 44 0.251 13.021 9.232 353 2HB LYS 44 1HB LYS 44 1.051 11.780 10.193 354 1HG LYS 44 2HG LYS 44 3.185 12.343 9.271 355 2HG LYS 44 1HG LYS 44 2.446 13.433 8.100 356 1HD LYS 44 2HD LYS 44 1.734 14.916 9.873 357 2HD LYS 44 1HD LYS 44 2.358 13.801 11.092 358 1HE LYS 44 2HE LYS 44 3.899 15.656 10.714 359 2HE LYS 44 1HE LYS 44 4.618 14.117 10.249 360 1HZ LYS 44 1HZ LYS 44 3.456 16.139 8.405 361 2HZ LYS 44 2HZ LYS 44 4.066 14.632 7.930 362 3HZ LYS 44 3HZ LYS 44 5.100 15.787 8.603 363 H HIS 45 H HIS 45 -1.686 11.457 7.635 364 HA HIS 45 HA HIS 45 -2.348 9.125 9.277 365 1HB HIS 45 2HB HIS 45 -3.628 11.207 9.632 366 2HB HIS 45 1HB HIS 45 -4.195 11.134 7.968 367 HD1 HIS 45 1HD HIS 45 -6.596 10.569 8.118 368 HD2 HIS 45 2HD HIS 45 -4.295 8.268 10.710 369 HE1 HIS 45 1HE HIS 45 -8.180 8.896 9.137 370 HE2 HIS 45 2HE HIS 45 -6.729 7.406 10.559 371 H LEU 46 H LEU 46 -2.075 10.082 5.977 372 HA LEU 46 HA LEU 46 -3.729 8.045 4.857 373 1HB LEU 46 2HB LEU 46 -3.070 10.057 3.604 374 2HB LEU 46 1HB LEU 46 -1.399 9.527 3.631 375 HG LEU 46 HG LEU 46 -2.072 7.521 2.302 376 1HD1 LEU 46 1HD1 LEU 46 -4.711 8.970 2.126 377 2HD1 LEU 46 2HD1 LEU 46 -4.417 7.418 2.910 378 3HD1 LEU 46 3HD1 LEU 46 -4.247 7.570 1.161 379 1HD2 LEU 46 1HD2 LEU 46 -1.101 9.466 1.214 380 2HD2 LEU 46 2HD2 LEU 46 -2.698 10.203 1.075 381 3HD2 LEU 46 3HD2 LEU 46 -2.326 8.727 0.185 382 H ARG 47 H ARG 47 -0.469 8.207 6.018 383 HA ARG 47 HA ARG 47 0.706 5.995 4.830 384 1HB ARG 47 2HB ARG 47 1.805 7.665 6.368 385 2HB ARG 47 1HB ARG 47 1.059 6.820 7.716 386 1HG ARG 47 2HG ARG 47 2.253 4.764 7.020 387 2HG ARG 47 1HG ARG 47 3.085 5.714 5.787 388 1HD ARG 47 2HD ARG 47 3.235 6.025 8.779 389 2HD ARG 47 1HD ARG 47 4.529 5.561 7.678 390 HE ARG 47 HE ARG 47 3.327 8.255 7.813 391 1HH1 ARG 47 1HH1 ARG 47 6.037 6.135 7.191 392 2HH1 ARG 47 2HH1 ARG 47 7.163 7.429 6.913 393 1HH2 ARG 47 1HH2 ARG 47 4.774 9.964 7.423 394 2HH2 ARG 47 2HH2 ARG 47 6.433 9.619 7.031 395 H ASN 48 H ASN 48 -1.400 6.187 7.652 396 HA ASN 48 HA ASN 48 -1.282 3.480 8.409 397 1HB ASN 48 2HB ASN 48 -3.467 5.535 8.814 398 2HB ASN 48 1HB ASN 48 -3.415 3.972 9.616 399 1HD2 ASN 48 1HD2 ASN 48 -1.994 3.643 11.286 400 2HD2 ASN 48 2HD2 ASN 48 -1.096 4.924 12.027 401 H LYS 49 H LYS 49 -3.384 5.245 6.192 402 HA LYS 49 HA LYS 49 -5.182 3.140 5.646 403 1HB LYS 49 2HB LYS 49 -4.389 5.580 4.064 404 2HB LYS 49 1HB LYS 49 -5.617 4.453 3.511 405 1HG LYS 49 2HG LYS 49 -6.949 4.922 5.495 406 2HG LYS 49 1HG LYS 49 -5.700 6.027 6.073 407 1HD LYS 49 2HD LYS 49 -6.069 7.528 4.275 408 2HD LYS 49 1HD LYS 49 -7.071 6.359 3.415 409 1HE LYS 49 2HE LYS 49 -7.780 7.595 6.071 410 2HE LYS 49 1HE LYS 49 -8.354 8.181 4.510 411 1HZ LYS 49 1HZ LYS 49 -9.252 5.865 4.169 412 2HZ LYS 49 2HZ LYS 49 -10.039 6.808 5.333 413 3HZ LYS 49 3HZ LYS 49 -8.959 5.592 5.821 414 H ILE 50 H ILE 50 -2.237 4.235 3.974 415 HA ILE 50 HA ILE 50 -2.331 2.357 1.881 416 HB ILE 50 HB ILE 50 0.132 3.626 3.099 417 1HG1 ILE 50 2HG1 ILE 50 -1.571 4.513 0.758 418 2HG1 ILE 50 1HG1 ILE 50 -1.558 5.271 2.346 419 1HG2 ILE 50 1HG2 ILE 50 0.655 1.688 1.708 420 2HG2 ILE 50 2HG2 ILE 50 1.180 3.183 0.934 421 3HG2 ILE 50 3HG2 ILE 50 -0.289 2.376 0.385 422 1HD1 ILE 50 1HD1 ILE 50 -0.243 6.548 0.784 423 2HD1 ILE 50 2HD1 ILE 50 0.744 5.132 0.419 424 3HD1 ILE 50 3HD1 ILE 50 0.796 5.854 2.028 425 H ALA 51 H ALA 51 -0.786 2.241 5.069 426 HA ALA 51 HA ALA 51 0.473 -0.247 4.811 427 1HB ALA 51 1HB ALA 51 0.538 -0.295 7.233 428 2HB ALA 51 2HB ALA 51 -0.686 0.970 7.315 429 3HB ALA 51 3HB ALA 51 0.908 1.327 6.650 430 H GLY 52 H GLY 52 -2.796 0.589 5.923 431 1HA GLY 52 2HA GLY 52 -3.609 -2.061 6.512 432 2HA GLY 52 1HA GLY 52 -4.679 -0.703 6.196 433 H TYR 53 H TYR 53 -3.750 -0.116 3.581 434 HA TYR 53 HA TYR 53 -5.348 -1.807 2.025 435 1HB TYR 53 2HB TYR 53 -4.733 0.512 1.401 436 2HB TYR 53 1HB TYR 53 -3.083 -0.019 1.105 437 HD1 TYR 53 1HD TYR 53 -6.591 -0.580 -0.007 438 HD2 TYR 53 2HD TYR 53 -2.465 -0.763 -1.020 439 HE1 TYR 53 1HE TYR 53 -7.194 -1.071 -2.341 440 HE2 TYR 53 2HE TYR 53 -3.051 -1.260 -3.356 441 HH TYR 53 HH TYR 53 -4.937 -2.193 -4.638 442 H ILE 54 H ILE 54 -1.810 -1.693 2.394 443 HA ILE 54 HA ILE 54 -1.198 -3.815 0.656 444 HB ILE 54 HB ILE 54 0.313 -3.196 3.191 445 1HG1 ILE 54 2HG1 ILE 54 0.738 -1.929 0.480 446 2HG1 ILE 54 1HG1 ILE 54 -0.128 -1.144 1.800 447 1HG2 ILE 54 1HG2 ILE 54 2.231 -4.018 1.893 448 2HG2 ILE 54 2HG2 ILE 54 1.155 -4.360 0.539 449 3HG2 ILE 54 3HG2 ILE 54 0.970 -5.239 2.056 450 1HD1 ILE 54 1HD1 ILE 54 1.885 -1.305 3.186 451 2HD1 ILE 54 2HD1 ILE 54 2.152 -0.371 1.712 452 3HD1 ILE 54 3HD1 ILE 54 2.746 -2.029 1.826 453 H THR 55 H THR 55 -1.589 -3.807 4.194 454 HA THR 55 HA THR 55 -1.427 -6.451 4.799 455 HB THR 55 HB THR 55 -3.578 -4.652 5.924 456 HG1 THR 55 1HG THR 55 -1.763 -3.446 6.172 457 1HG2 THR 55 1HG2 THR 55 -3.629 -7.008 6.647 458 2HG2 THR 55 2HG2 THR 55 -3.208 -5.915 7.967 459 3HG2 THR 55 3HG2 THR 55 -1.950 -6.861 7.173 460 H ARG 56 H ARG 56 -4.317 -4.797 3.520 461 HA ARG 56 HA ARG 56 -6.004 -7.036 3.483 462 1HB ARG 56 2HB ARG 56 -7.034 -4.933 3.171 463 2HB ARG 56 1HB ARG 56 -5.955 -4.512 1.845 464 1HG ARG 56 2HG ARG 56 -7.012 -6.077 0.387 465 2HG ARG 56 1HG ARG 56 -7.965 -6.745 1.710 466 1HD ARG 56 2HD ARG 56 -8.177 -3.861 0.913 467 2HD ARG 56 1HD ARG 56 -9.116 -5.113 0.106 468 HE ARG 56 HE ARG 56 -9.278 -4.816 3.032 469 1HH1 ARG 56 1HH1 ARG 56 -10.797 -4.707 -0.136 470 2HH1 ARG 56 2HH1 ARG 56 -12.415 -4.625 0.511 471 1HH2 ARG 56 1HH2 ARG 56 -11.422 -4.703 3.867 472 2HH2 ARG 56 2HH2 ARG 56 -12.761 -4.613 2.760 473 H ILE 57 H ILE 57 -3.814 -5.762 0.985 474 HA ILE 57 HA ILE 57 -4.397 -7.596 -1.039 475 HB ILE 57 HB ILE 57 -1.715 -6.335 -0.426 476 1HG1 ILE 57 2HG1 ILE 57 -3.927 -5.423 -2.281 477 2HG1 ILE 57 1HG1 ILE 57 -3.545 -4.696 -0.721 478 1HG2 ILE 57 1HG2 ILE 57 -1.245 -6.705 -2.817 479 2HG2 ILE 57 2HG2 ILE 57 -2.766 -7.590 -2.959 480 3HG2 ILE 57 3HG2 ILE 57 -1.476 -8.214 -1.932 481 1HD1 ILE 57 1HD1 ILE 57 -1.362 -4.037 -1.552 482 2HD1 ILE 57 2HD1 ILE 57 -2.646 -3.401 -2.579 483 3HD1 ILE 57 3HD1 ILE 57 -1.706 -4.800 -3.105 484 H ILE 58 H ILE 58 -2.145 -7.813 1.673 485 HA ILE 58 HA ILE 58 -0.954 -10.258 1.035 486 HB ILE 58 HB ILE 58 -1.530 -9.107 3.769 487 1HG1 ILE 58 2HG1 ILE 58 0.963 -8.977 2.053 488 2HG1 ILE 58 1HG1 ILE 58 -0.168 -7.652 2.309 489 1HG2 ILE 58 1HG2 ILE 58 0.280 -10.561 4.565 490 2HG2 ILE 58 2HG2 ILE 58 0.392 -11.288 2.960 491 3HG2 ILE 58 3HG2 ILE 58 -1.075 -11.488 3.921 492 1HD1 ILE 58 1HD1 ILE 58 1.823 -7.412 3.681 493 2HD1 ILE 58 2HD1 ILE 58 1.500 -8.973 4.437 494 3HD1 ILE 58 3HD1 ILE 58 0.385 -7.627 4.677 495 H SER 59 H SER 59 -3.817 -9.597 3.068 496 HA SER 59 HA SER 59 -4.368 -12.314 3.614 497 1HB SER 59 2HB SER 59 -6.662 -11.435 4.241 498 2HB SER 59 1HB SER 59 -5.299 -10.694 5.079 499 HG SER 59 HG SER 59 -5.942 -9.403 2.753 500 H GLN 60 H GLN 60 -4.865 -10.464 0.781 501 HA GLN 60 HA GLN 60 -6.985 -12.160 -0.238 502 1HB GLN 60 2HB GLN 60 -5.343 -10.029 -1.624 503 2HB GLN 60 1HB GLN 60 -6.721 -10.863 -2.328 504 1HG GLN 60 2HG GLN 60 -6.774 -9.059 0.078 505 2HG GLN 60 1HG GLN 60 -7.337 -8.658 -1.543 506 1HE2 GLN 60 1HE2 GLN 60 -8.774 -8.698 0.992 507 2HE2 GLN 60 2HE2 GLN 60 -10.116 -9.767 0.768 508 H GLN 61 H GLN 61 -3.518 -11.726 -0.648 509 HA GLN 61 HA GLN 61 -3.378 -13.655 -2.787 510 1HB GLN 61 2HB GLN 61 -1.930 -11.574 -2.539 511 2HB GLN 61 1HB GLN 61 -1.062 -12.442 -1.282 512 1HG GLN 61 2HG GLN 61 -1.379 -13.702 -3.963 513 2HG GLN 61 1HG GLN 61 -0.198 -12.414 -3.749 514 1HE2 GLN 61 1HE2 GLN 61 0.149 -15.271 -4.342 515 2HE2 GLN 61 2HE2 GLN 61 1.201 -15.871 -3.094 516 H LYS 62 H LYS 62 -2.719 -13.570 0.672 517 HA LYS 62 HA LYS 62 -1.801 -16.336 0.639 518 1HB LYS 62 2HB LYS 62 -1.754 -14.125 2.565 519 2HB LYS 62 1HB LYS 62 -2.161 -15.672 3.291 520 1HG LYS 62 2HG LYS 62 0.217 -15.282 3.427 521 2HG LYS 62 1HG LYS 62 -0.112 -16.642 2.354 522 1HD LYS 62 2HD LYS 62 0.089 -15.086 0.425 523 2HD LYS 62 1HD LYS 62 0.575 -13.819 1.552 524 1HE LYS 62 2HE LYS 62 2.496 -15.156 2.240 525 2HE LYS 62 1HE LYS 62 2.002 -16.444 1.140 526 1HZ LYS 62 1HZ LYS 62 2.257 -14.863 -0.706 527 2HZ LYS 62 2HZ LYS 62 3.713 -15.135 0.118 528 3HZ LYS 62 3HZ LYS 62 2.843 -13.698 0.382 Start of MODEL 7 1 1H MET 1 1HT MET 1 -14.860 12.559 -5.449 2 2H MET 1 2HT MET 1 -15.938 11.905 -6.589 3 3H MET 1 3HT MET 1 -14.825 13.095 -7.058 4 HA MET 1 HA MET 1 -12.990 11.626 -6.616 5 1HB MET 1 2HB MET 1 -13.476 9.209 -6.184 6 2HB MET 1 1HB MET 1 -13.875 10.271 -4.845 7 1HG MET 1 2HG MET 1 -15.946 9.397 -6.827 8 2HG MET 1 1HG MET 1 -15.509 8.403 -5.440 9 1HE MET 1 1HE MET 1 -16.505 10.659 -2.420 10 2HE MET 1 2HE MET 1 -14.921 10.477 -3.178 11 3HE MET 1 3HE MET 1 -15.946 9.065 -2.927 12 H GLY 2 H GLY 2 -14.308 12.703 -8.797 13 1HA GLY 2 2HA GLY 2 -14.871 10.582 -10.687 14 2HA GLY 2 1HA GLY 2 -14.798 12.306 -11.037 15 H ASN 3 H ASN 3 -13.638 10.071 -12.507 16 HA ASN 3 HA ASN 3 -11.795 9.706 -13.776 17 1HB ASN 3 2HB ASN 3 -11.431 12.126 -13.842 18 2HB ASN 3 1HB ASN 3 -10.584 12.058 -12.300 19 1HD2 ASN 3 1HD2 ASN 3 -8.477 11.377 -12.241 20 2HD2 ASN 3 2HD2 ASN 3 -7.537 11.080 -13.658 21 H ILE 4 H ILE 4 -10.765 10.537 -10.462 22 HA ILE 4 HA ILE 4 -9.044 8.187 -10.449 23 HB ILE 4 HB ILE 4 -8.014 10.110 -9.490 24 1HG1 ILE 4 2HG1 ILE 4 -8.889 8.296 -7.239 25 2HG1 ILE 4 1HG1 ILE 4 -7.595 7.941 -8.378 26 1HG2 ILE 4 1HG2 ILE 4 -8.917 11.326 -7.572 27 2HG2 ILE 4 2HG2 ILE 4 -10.371 10.329 -7.631 28 3HG2 ILE 4 3HG2 ILE 4 -9.993 11.416 -8.967 29 1HD1 ILE 4 1HD1 ILE 4 -7.645 10.221 -6.410 30 2HD1 ILE 4 2HD1 ILE 4 -6.350 9.870 -7.554 31 3HD1 ILE 4 3HD1 ILE 4 -6.715 8.729 -6.259 32 H ARG 5 H ARG 5 -10.139 6.378 -10.219 33 HA ARG 5 HA ARG 5 -12.601 6.348 -8.674 34 1HB ARG 5 2HB ARG 5 -12.232 5.313 -11.010 35 2HB ARG 5 1HB ARG 5 -11.406 4.017 -10.158 36 1HG ARG 5 2HG ARG 5 -13.434 3.528 -8.905 37 2HG ARG 5 1HG ARG 5 -14.269 4.855 -9.719 38 1HD ARG 5 2HD ARG 5 -13.815 3.722 -11.888 39 2HD ARG 5 1HD ARG 5 -13.143 2.362 -10.990 40 HE ARG 5 HE ARG 5 -15.925 3.220 -10.531 41 1HH1 ARG 5 1HH1 ARG 5 -13.604 0.793 -11.533 42 2HH1 ARG 5 2HH1 ARG 5 -14.775 -0.485 -11.609 43 1HH2 ARG 5 1HH2 ARG 5 -17.485 1.515 -10.653 44 2HH2 ARG 5 2HH2 ARG 5 -16.957 -0.083 -11.108 45 H THR 6 H THR 6 -9.880 4.048 -8.911 46 HA THR 6 HA THR 6 -9.381 4.034 -6.089 47 HB THR 6 HB THR 6 -10.610 1.521 -7.260 48 HG1 THR 6 1HG THR 6 -11.740 3.666 -6.008 49 1HG2 THR 6 1HG2 THR 6 -10.490 0.685 -4.939 50 2HG2 THR 6 2HG2 THR 6 -9.631 2.156 -4.476 51 3HG2 THR 6 3HG2 THR 6 -8.897 1.026 -5.616 52 H SER 7 H SER 7 -9.097 2.366 -9.170 53 HA SER 7 HA SER 7 -7.011 0.642 -8.712 54 1HB SER 7 2HB SER 7 -6.594 1.053 -11.251 55 2HB SER 7 1HB SER 7 -8.142 0.382 -10.730 56 HG SER 7 HG SER 7 -8.313 2.178 -12.233 57 H PHE 8 H PHE 8 -6.814 4.046 -9.678 58 HA PHE 8 HA PHE 8 -4.090 4.158 -10.251 59 1HB PHE 8 2HB PHE 8 -5.688 5.951 -10.807 60 2HB PHE 8 1HB PHE 8 -5.838 6.344 -9.099 61 HD1 PHE 8 1HD PHE 8 -4.504 7.998 -8.206 62 HD2 PHE 8 2HD PHE 8 -3.269 6.049 -11.781 63 HE1 PHE 8 1HE PHE 8 -2.612 9.560 -8.401 64 HE2 PHE 8 2HE PHE 8 -1.374 7.606 -11.983 65 HZ PHE 8 HZ PHE 8 -1.044 9.368 -10.297 66 H VAL 9 H VAL 9 -5.780 4.492 -7.170 67 HA VAL 9 HA VAL 9 -3.490 5.306 -5.688 68 HB VAL 9 HB VAL 9 -6.037 4.026 -4.670 69 1HG1 VAL 9 1HG1 VAL 9 -5.463 5.108 -2.544 70 2HG1 VAL 9 2HG1 VAL 9 -3.940 5.654 -3.243 71 3HG1 VAL 9 3HG1 VAL 9 -4.248 3.930 -3.034 72 1HG2 VAL 9 1HG2 VAL 9 -6.773 6.321 -4.215 73 2HG2 VAL 9 2HG2 VAL 9 -6.511 6.046 -5.938 74 3HG2 VAL 9 3HG2 VAL 9 -5.315 6.938 -4.996 75 H LYS 10 H LYS 10 -5.114 2.211 -6.206 76 HA LYS 10 HA LYS 10 -3.434 0.714 -4.478 77 1HB LYS 10 2HB LYS 10 -5.713 0.011 -5.254 78 2HB LYS 10 1HB LYS 10 -5.023 -0.310 -6.837 79 1HG LYS 10 2HG LYS 10 -3.610 -2.031 -5.921 80 2HG LYS 10 1HG LYS 10 -4.154 -1.654 -4.287 81 1HD LYS 10 2HD LYS 10 -6.445 -2.293 -4.926 82 2HD LYS 10 1HD LYS 10 -5.860 -2.714 -6.539 83 1HE LYS 10 2HE LYS 10 -4.386 -4.405 -5.559 84 2HE LYS 10 1HE LYS 10 -4.964 -3.978 -3.950 85 1HZ LYS 10 1HZ LYS 10 -6.053 -5.962 -4.866 86 2HZ LYS 10 2HZ LYS 10 -6.680 -5.029 -6.136 87 3HZ LYS 10 3HZ LYS 10 -7.159 -4.720 -4.538 88 H ARG 11 H ARG 11 -3.217 1.691 -7.828 89 HA ARG 11 HA ARG 11 -1.136 -0.001 -8.663 90 1HB ARG 11 2HB ARG 11 -2.297 1.315 -10.310 91 2HB ARG 11 1HB ARG 11 -1.855 2.813 -9.501 92 1HG ARG 11 2HG ARG 11 0.539 2.248 -9.964 93 2HG ARG 11 1HG ARG 11 -0.042 0.927 -10.973 94 1HD ARG 11 2HD ARG 11 -0.953 2.370 -12.554 95 2HD ARG 11 1HD ARG 11 -0.997 3.730 -11.427 96 HE ARG 11 HE ARG 11 1.646 3.196 -11.616 97 1HH1 ARG 11 1HH1 ARG 11 -0.831 3.722 -14.058 98 2HH1 ARG 11 2HH1 ARG 11 0.267 4.483 -15.174 99 1HH2 ARG 11 1HH2 ARG 11 3.079 4.155 -13.095 100 2HH2 ARG 11 2HH2 ARG 11 2.493 4.707 -14.641 101 H ILE 12 H ILE 12 -0.998 3.294 -7.300 102 HA ILE 12 HA ILE 12 1.786 3.550 -7.294 103 HB ILE 12 HB ILE 12 -0.164 4.771 -5.326 104 1HG1 ILE 12 2HG1 ILE 12 0.877 5.840 -7.959 105 2HG1 ILE 12 1HG1 ILE 12 -0.746 5.215 -7.686 106 1HG2 ILE 12 1HG2 ILE 12 2.136 4.958 -4.567 107 2HG2 ILE 12 2HG2 ILE 12 1.530 6.533 -5.081 108 3HG2 ILE 12 3HG2 ILE 12 2.617 5.622 -6.130 109 1HD1 ILE 12 1HD1 ILE 12 -0.732 7.636 -7.679 110 2HD1 ILE 12 2HD1 ILE 12 0.456 7.646 -6.377 111 3HD1 ILE 12 3HD1 ILE 12 -1.164 7.018 -6.085 112 H ALA 13 H ALA 13 -0.410 2.132 -4.949 113 HA ALA 13 HA ALA 13 1.403 1.735 -2.850 114 1HB ALA 13 1HB ALA 13 -1.017 1.530 -2.583 115 2HB ALA 13 2HB ALA 13 -0.185 0.081 -2.016 116 3HB ALA 13 3HB ALA 13 -1.004 0.073 -3.577 117 H LYS 14 H LYS 14 0.521 -0.418 -5.573 118 HA LYS 14 HA LYS 14 2.186 -2.539 -4.663 119 1HB LYS 14 2HB LYS 14 1.688 -3.675 -6.673 120 2HB LYS 14 1HB LYS 14 0.240 -2.754 -6.295 121 1HG LYS 14 2HG LYS 14 0.565 -1.268 -8.027 122 2HG LYS 14 1HG LYS 14 2.297 -1.596 -8.118 123 1HD LYS 14 2HD LYS 14 1.670 -3.921 -8.905 124 2HD LYS 14 1HD LYS 14 0.021 -3.316 -9.081 125 1HE LYS 14 2HE LYS 14 0.771 -1.625 -10.639 126 2HE LYS 14 1HE LYS 14 2.446 -2.112 -10.408 127 1HZ LYS 14 1HZ LYS 14 0.278 -3.688 -11.677 128 2HZ LYS 14 2HZ LYS 14 1.797 -4.332 -11.285 129 3HZ LYS 14 3HZ LYS 14 1.677 -3.071 -12.417 130 H GLU 15 H GLU 15 2.703 0.223 -6.766 131 HA GLU 15 HA GLU 15 5.188 -0.683 -7.816 132 1HB GLU 15 2HB GLU 15 4.057 2.119 -7.640 133 2HB GLU 15 1HB GLU 15 5.484 1.663 -8.566 134 1HG GLU 15 2HG GLU 15 3.996 0.037 -9.804 135 2HG GLU 15 1HG GLU 15 2.632 0.837 -9.028 136 H MET 16 H MET 16 4.248 0.926 -4.889 137 HA MET 16 HA MET 16 6.889 1.575 -4.031 138 1HB MET 16 2HB MET 16 4.334 1.037 -2.502 139 2HB MET 16 1HB MET 16 5.841 1.504 -1.724 140 1HG MET 16 2HG MET 16 5.845 3.596 -2.963 141 2HG MET 16 1HG MET 16 4.348 3.130 -3.770 142 1HE MET 16 1HE MET 16 4.684 5.894 -2.265 143 2HE MET 16 2HE MET 16 3.165 5.988 -1.377 144 3HE MET 16 3HE MET 16 3.180 5.392 -3.037 145 H ILE 17 H ILE 17 4.758 -1.197 -3.557 146 HA ILE 17 HA ILE 17 6.431 -2.610 -1.783 147 HB ILE 17 HB ILE 17 4.220 -3.661 -3.556 148 1HG1 ILE 17 2HG1 ILE 17 4.177 -2.770 -0.661 149 2HG1 ILE 17 1HG1 ILE 17 3.531 -1.849 -2.015 150 1HG2 ILE 17 1HG2 ILE 17 5.682 -5.454 -2.756 151 2HG2 ILE 17 2HG2 ILE 17 4.095 -5.536 -1.994 152 3HG2 ILE 17 3HG2 ILE 17 5.469 -4.890 -1.096 153 1HD1 ILE 17 1HD1 ILE 17 1.919 -3.646 -2.443 154 2HD1 ILE 17 2HD1 ILE 17 1.753 -2.963 -0.825 155 3HD1 ILE 17 3HD1 ILE 17 2.548 -4.522 -1.047 156 H GLU 18 H GLU 18 6.290 -2.529 -5.289 157 HA GLU 18 HA GLU 18 7.513 -4.990 -5.835 158 1HB GLU 18 2HB GLU 18 7.974 -4.128 -8.055 159 2HB GLU 18 1HB GLU 18 6.362 -3.648 -7.544 160 1HG GLU 18 2HG GLU 18 7.107 -1.427 -7.077 161 2HG GLU 18 1HG GLU 18 8.786 -1.879 -7.368 162 H THR 19 H THR 19 8.902 -2.192 -4.471 163 HA THR 19 HA THR 19 11.558 -2.557 -5.469 164 HB THR 19 HB THR 19 12.219 -0.953 -3.710 165 HG1 THR 19 1HG THR 19 9.472 -0.726 -3.016 166 1HG2 THR 19 1HG2 THR 19 11.398 -0.134 -5.863 167 2HG2 THR 19 2HG2 THR 19 10.935 0.952 -4.554 168 3HG2 THR 19 3HG2 THR 19 9.747 -0.151 -5.246 169 H HIS 20 H HIS 20 9.703 -3.856 -2.840 170 HA HIS 20 HA HIS 20 11.887 -5.661 -2.218 171 1HB HIS 20 2HB HIS 20 12.261 -3.799 -0.652 172 2HB HIS 20 1HB HIS 20 10.605 -3.943 -0.076 173 HD1 HIS 20 1HD HIS 20 11.407 -4.423 2.338 174 HD2 HIS 20 2HD HIS 20 12.733 -7.187 -0.477 175 HE1 HIS 20 1HE HIS 20 12.287 -6.371 3.658 176 HE2 HIS 20 2HE HIS 20 13.298 -7.916 1.942 177 HA PRO 21 HA PRO 21 7.833 -7.778 -2.297 178 1HB PRO 21 2HB PRO 21 9.294 -9.983 -3.501 179 2HB PRO 21 1HB PRO 21 8.015 -8.989 -4.206 180 1HG PRO 21 2HG PRO 21 10.598 -8.899 -5.046 181 2HG PRO 21 1HG PRO 21 9.501 -7.511 -5.137 182 1HD PRO 21 2HD PRO 21 11.628 -8.118 -3.111 183 2HD PRO 21 1HD PRO 21 11.228 -6.574 -3.898 184 H GLY 22 H GLY 22 9.417 -7.665 0.042 185 1HA GLY 22 2HA GLY 22 9.416 -10.500 0.884 186 2HA GLY 22 1HA GLY 22 10.636 -9.358 1.431 187 H LYS 23 H LYS 23 7.550 -10.659 1.988 188 HA LYS 23 HA LYS 23 7.212 -8.865 4.287 189 1HB LYS 23 2HB LYS 23 4.870 -8.657 3.952 190 2HB LYS 23 1HB LYS 23 5.598 -8.321 2.389 191 1HG LYS 23 2HG LYS 23 4.439 -10.993 3.160 192 2HG LYS 23 1HG LYS 23 3.538 -9.733 2.320 193 1HD LYS 23 2HD LYS 23 5.025 -9.850 0.435 194 2HD LYS 23 1HD LYS 23 6.103 -10.948 1.298 195 1HE LYS 23 2HE LYS 23 4.786 -12.224 -0.253 196 2HE LYS 23 1HE LYS 23 4.262 -12.610 1.383 197 1HZ LYS 23 1HZ LYS 23 2.351 -12.347 0.014 198 2HZ LYS 23 2HZ LYS 23 2.880 -10.842 -0.563 199 3HZ LYS 23 3HZ LYS 23 2.414 -11.012 1.054 200 H PHE 24 H PHE 24 6.031 -9.873 6.078 201 HA PHE 24 HA PHE 24 6.533 -12.725 6.205 202 1HB PHE 24 2HB PHE 24 7.050 -11.172 8.113 203 2HB PHE 24 1HB PHE 24 5.318 -10.934 8.318 204 HD1 PHE 24 1HD PHE 24 4.057 -12.411 9.608 205 HD2 PHE 24 2HD PHE 24 7.962 -13.532 8.346 206 HE1 PHE 24 1HE PHE 24 3.954 -14.391 11.063 207 HE2 PHE 24 2HE PHE 24 7.868 -15.517 9.799 208 HZ PHE 24 HZ PHE 24 5.860 -15.946 11.161 209 H THR 25 H THR 25 3.716 -10.764 7.162 210 HA THR 25 HA THR 25 1.939 -12.335 5.524 211 HB THR 25 HB THR 25 2.200 -13.728 7.591 212 HG1 THR 25 1HG THR 25 0.059 -14.175 7.695 213 1HG2 THR 25 1HG2 THR 25 0.873 -11.392 8.977 214 2HG2 THR 25 2HG2 THR 25 2.537 -11.925 9.220 215 3HG2 THR 25 3HG2 THR 25 1.197 -12.970 9.688 216 H ASP 26 H ASP 26 -0.475 -11.564 6.721 217 HA ASP 26 HA ASP 26 -0.507 -8.746 6.118 218 1HB ASP 26 2HB ASP 26 -2.936 -8.879 6.507 219 2HB ASP 26 1HB ASP 26 -2.386 -10.113 5.385 220 H ASP 27 H ASP 27 1.077 -8.367 7.835 221 HA ASP 27 HA ASP 27 -0.115 -8.167 10.521 222 1HB ASP 27 2HB ASP 27 1.563 -9.776 10.722 223 2HB ASP 27 1HB ASP 27 2.617 -8.959 9.574 224 H PHE 28 H PHE 28 0.289 -6.303 11.724 225 HA PHE 28 HA PHE 28 0.425 -3.956 10.093 226 1HB PHE 28 2HB PHE 28 0.251 -4.178 13.106 227 2HB PHE 28 1HB PHE 28 -0.079 -2.737 12.147 228 HD1 PHE 28 1HD PHE 28 -2.004 -2.816 10.497 229 HD2 PHE 28 2HD PHE 28 -1.426 -5.746 13.530 230 HE1 PHE 28 1HE PHE 28 -4.358 -3.503 10.279 231 HE2 PHE 28 2HE PHE 28 -3.777 -6.437 13.318 232 HZ PHE 28 HZ PHE 28 -5.244 -5.316 11.688 233 H ASP 29 H ASP 29 2.582 -5.499 12.409 234 HA ASP 29 HA ASP 29 4.492 -3.413 12.542 235 1HB ASP 29 2HB ASP 29 4.507 -5.218 14.169 236 2HB ASP 29 1HB ASP 29 4.802 -6.404 12.904 237 H THR 30 H THR 30 3.974 -6.101 10.375 238 HA THR 30 HA THR 30 6.301 -5.912 8.834 239 HB THR 30 HB THR 30 3.540 -6.837 8.015 240 HG1 THR 30 1HG THR 30 4.514 -8.008 9.763 241 1HG2 THR 30 1HG2 THR 30 4.687 -8.077 6.230 242 2HG2 THR 30 2HG2 THR 30 6.218 -7.330 6.697 243 3HG2 THR 30 3HG2 THR 30 4.911 -6.335 6.050 244 H ASN 31 H ASN 31 3.038 -4.559 8.074 245 HA ASN 31 HA ASN 31 3.973 -3.224 5.765 246 1HB ASN 31 2HB ASN 31 1.854 -2.121 5.651 247 2HB ASN 31 1HB ASN 31 1.562 -3.759 6.224 248 1HD2 ASN 31 1HD2 ASN 31 1.614 -0.383 7.100 249 2HD2 ASN 31 2HD2 ASN 31 0.715 -0.556 8.565 250 H LYS 32 H LYS 32 3.889 -2.307 9.131 251 HA LYS 32 HA LYS 32 4.363 0.430 8.932 252 1HB LYS 32 2HB LYS 32 3.979 -0.671 11.075 253 2HB LYS 32 1HB LYS 32 5.484 -1.564 10.915 254 1HG LYS 32 2HG LYS 32 6.638 0.704 10.864 255 2HG LYS 32 1HG LYS 32 5.101 1.370 11.413 256 1HD LYS 32 2HD LYS 32 6.621 0.935 13.287 257 2HD LYS 32 1HD LYS 32 5.166 -0.058 13.383 258 1HE LYS 32 2HE LYS 32 6.334 -1.988 12.617 259 2HE LYS 32 1HE LYS 32 7.752 -1.032 12.181 260 1HZ LYS 32 1HZ LYS 32 8.206 -0.625 14.468 261 2HZ LYS 32 2HZ LYS 32 7.963 -2.294 14.291 262 3HZ LYS 32 3HZ LYS 32 6.745 -1.329 14.960 263 H LYS 33 H LYS 33 6.729 -2.220 9.102 264 HA LYS 33 HA LYS 33 8.964 -0.532 8.621 265 1HB LYS 33 2HB LYS 33 8.662 -3.533 8.435 266 2HB LYS 33 1HB LYS 33 10.195 -2.676 8.315 267 1HG LYS 33 2HG LYS 33 9.878 -1.801 10.574 268 2HG LYS 33 1HG LYS 33 8.358 -2.686 10.699 269 1HD LYS 33 2HD LYS 33 11.050 -3.954 10.224 270 2HD LYS 33 1HD LYS 33 10.266 -3.827 11.798 271 1HE LYS 33 2HE LYS 33 8.350 -5.114 10.888 272 2HE LYS 33 1HE LYS 33 9.242 -5.313 9.381 273 1HZ LYS 33 1HZ LYS 33 9.434 -7.232 10.882 274 2HZ LYS 33 2HZ LYS 33 10.198 -6.246 12.031 275 3HZ LYS 33 3HZ LYS 33 10.937 -6.529 10.530 276 H LEU 34 H LEU 34 6.752 -2.287 6.584 277 HA LEU 34 HA LEU 34 8.280 -2.257 4.212 278 1HB LEU 34 2HB LEU 34 5.290 -2.275 4.625 279 2HB LEU 34 1HB LEU 34 6.056 -2.451 3.060 280 HG LEU 34 HG LEU 34 6.299 -4.352 5.393 281 1HD1 LEU 34 1HD1 LEU 34 4.992 -4.654 2.696 282 2HD1 LEU 34 2HD1 LEU 34 4.158 -4.463 4.238 283 3HD1 LEU 34 3HD1 LEU 34 5.123 -5.908 3.930 284 1HD2 LEU 34 1HD2 LEU 34 8.402 -4.235 4.161 285 2HD2 LEU 34 2HD2 LEU 34 7.539 -4.509 2.646 286 3HD2 LEU 34 3HD2 LEU 34 7.587 -5.773 3.877 287 H VAL 35 H VAL 35 5.770 -0.001 5.396 288 HA VAL 35 HA VAL 35 5.941 1.823 3.261 289 HB VAL 35 HB VAL 35 5.221 2.401 6.150 290 1HG1 VAL 35 1HG1 VAL 35 5.726 4.443 4.922 291 2HG1 VAL 35 2HG1 VAL 35 3.998 4.330 5.253 292 3HG1 VAL 35 3HG1 VAL 35 4.612 3.967 3.640 293 1HG2 VAL 35 1HG2 VAL 35 2.909 2.129 5.436 294 2HG2 VAL 35 2HG2 VAL 35 3.829 0.648 5.167 295 3HG2 VAL 35 3HG2 VAL 35 3.445 1.709 3.810 296 H GLU 36 H GLU 36 7.835 1.463 6.193 297 HA GLU 36 HA GLU 36 9.240 3.877 6.156 298 1HB GLU 36 2HB GLU 36 9.230 2.176 7.988 299 2HB GLU 36 1HB GLU 36 10.285 1.175 7.005 300 1HG GLU 36 2HG GLU 36 12.016 2.854 7.087 301 2HG GLU 36 1HG GLU 36 10.949 3.939 7.982 302 H GLU 37 H GLU 37 9.809 0.842 4.428 303 HA GLU 37 HA GLU 37 12.174 1.845 3.105 304 1HB GLU 37 2HB GLU 37 10.495 -0.608 2.563 305 2HB GLU 37 1HB GLU 37 12.011 -0.232 1.759 306 1HG GLU 37 2HG GLU 37 13.130 -0.311 3.976 307 2HG GLU 37 1HG GLU 37 11.604 -0.856 4.672 308 H PHE 38 H PHE 38 8.866 1.022 2.143 309 HA PHE 38 HA PHE 38 9.198 1.735 -0.574 310 1HB PHE 38 2HB PHE 38 6.627 1.488 1.000 311 2HB PHE 38 1HB PHE 38 6.780 1.455 -0.749 312 HD1 PHE 38 1HD PHE 38 5.444 -0.635 0.964 313 HD2 PHE 38 2HD PHE 38 9.427 -0.300 -0.505 314 HE1 PHE 38 1HE PHE 38 5.679 -3.081 1.046 315 HE2 PHE 38 2HE PHE 38 9.662 -2.744 -0.427 316 HZ PHE 38 HZ PHE 38 7.793 -4.138 0.348 317 H SER 39 H SER 39 9.660 3.751 -1.163 318 HA SER 39 HA SER 39 7.890 5.875 -0.276 319 1HB SER 39 2HB SER 39 10.104 7.293 0.013 320 2HB SER 39 1HB SER 39 9.473 6.317 1.337 321 HG SER 39 HG SER 39 10.913 4.624 0.556 322 H THR 40 H THR 40 7.076 6.148 -2.277 323 HA THR 40 HA THR 40 8.899 6.995 -4.407 324 HB THR 40 HB THR 40 5.951 6.306 -4.463 325 HG1 THR 40 1HG THR 40 8.228 5.065 -5.656 326 1HG2 THR 40 1HG2 THR 40 6.404 8.100 -6.063 327 2HG2 THR 40 2HG2 THR 40 6.082 6.582 -6.898 328 3HG2 THR 40 3HG2 THR 40 7.737 7.173 -6.744 329 H VAL 41 H VAL 41 6.103 8.009 -2.533 330 HA VAL 41 HA VAL 41 6.915 10.796 -2.879 331 HB VAL 41 HB VAL 41 4.529 11.496 -2.939 332 1HG1 VAL 41 1HG1 VAL 41 4.120 10.975 -5.284 333 2HG1 VAL 41 2HG1 VAL 41 5.341 9.702 -5.219 334 3HG1 VAL 41 3HG1 VAL 41 5.811 11.389 -5.004 335 1HG2 VAL 41 1HG2 VAL 41 3.982 8.555 -3.359 336 2HG2 VAL 41 2HG2 VAL 41 2.802 9.854 -3.539 337 3HG2 VAL 41 3HG2 VAL 41 3.508 9.519 -1.959 338 H SER 42 H SER 42 6.211 12.153 -1.090 339 HA SER 42 HA SER 42 6.417 10.740 1.391 340 1HB SER 42 2HB SER 42 7.472 12.969 0.964 341 2HB SER 42 1HB SER 42 5.859 13.682 0.949 342 HG SER 42 HG SER 42 7.105 12.328 3.117 343 H THR 43 H THR 43 4.653 9.535 1.832 344 HA THR 43 HA THR 43 1.984 10.522 1.547 345 HB THR 43 HB THR 43 1.469 8.388 2.914 346 HG1 THR 43 1HG THR 43 3.606 7.029 2.308 347 1HG2 THR 43 1HG2 THR 43 1.833 6.953 0.946 348 2HG2 THR 43 2HG2 THR 43 2.864 8.201 0.241 349 3HG2 THR 43 3HG2 THR 43 1.149 8.518 0.507 350 H LYS 44 H LYS 44 1.234 12.041 2.846 351 HA LYS 44 HA LYS 44 2.398 12.450 5.461 352 1HB LYS 44 2HB LYS 44 1.918 14.328 3.886 353 2HB LYS 44 1HB LYS 44 0.201 14.001 4.083 354 1HG LYS 44 2HG LYS 44 0.856 15.863 5.461 355 2HG LYS 44 1HG LYS 44 0.407 14.497 6.481 356 1HD LYS 44 2HD LYS 44 2.791 13.943 6.751 357 2HD LYS 44 1HD LYS 44 3.212 15.349 5.768 358 1HE LYS 44 2HE LYS 44 2.169 16.820 7.396 359 2HE LYS 44 1HE LYS 44 1.687 15.429 8.368 360 1HZ LYS 44 1HZ LYS 44 4.444 16.383 7.833 361 2HZ LYS 44 2HZ LYS 44 4.096 14.894 8.568 362 3HZ LYS 44 3HZ LYS 44 3.632 16.340 9.320 363 H HIS 45 H HIS 45 -1.025 12.683 4.524 364 HA HIS 45 HA HIS 45 -1.698 11.393 7.080 365 1HB HIS 45 2HB HIS 45 -2.573 13.740 6.219 366 2HB HIS 45 1HB HIS 45 -3.729 12.743 5.347 367 HD1 HIS 45 1HD HIS 45 -3.145 14.313 8.554 368 HD2 HIS 45 2HD HIS 45 -5.296 11.027 7.177 369 HE1 HIS 45 1HE HIS 45 -4.792 13.763 10.374 370 HE2 HIS 45 2HE HIS 45 -5.918 11.646 9.613 371 H LEU 46 H LEU 46 -1.929 11.124 3.648 372 HA LEU 46 HA LEU 46 -3.895 9.093 3.482 373 1HB LEU 46 2HB LEU 46 -2.542 10.658 1.700 374 2HB LEU 46 1HB LEU 46 -1.754 9.118 1.448 375 HG LEU 46 HG LEU 46 -3.603 9.544 -0.137 376 1HD1 LEU 46 1HD1 LEU 46 -4.703 7.386 0.079 377 2HD1 LEU 46 2HD1 LEU 46 -4.083 7.230 1.724 378 3HD1 LEU 46 3HD1 LEU 46 -2.966 7.254 0.358 379 1HD2 LEU 46 1HD2 LEU 46 -5.915 9.406 0.657 380 2HD2 LEU 46 2HD2 LEU 46 -5.076 10.809 1.319 381 3HD2 LEU 46 3HD2 LEU 46 -5.337 9.384 2.323 382 H ARG 47 H ARG 47 -0.731 9.069 4.667 383 HA ARG 47 HA ARG 47 0.268 6.604 3.813 384 1HB ARG 47 2HB ARG 47 1.588 8.374 4.948 385 2HB ARG 47 1HB ARG 47 0.791 7.962 6.463 386 1HG ARG 47 2HG ARG 47 1.787 5.797 6.483 387 2HG ARG 47 1HG ARG 47 2.413 6.005 4.847 388 1HD ARG 47 2HD ARG 47 4.215 6.334 6.372 389 2HD ARG 47 1HD ARG 47 3.787 7.900 5.689 390 HE ARG 47 HE ARG 47 2.752 7.096 8.329 391 1HH1 ARG 47 1HH1 ARG 47 4.565 9.285 6.292 392 2HH1 ARG 47 2HH1 ARG 47 4.882 10.423 7.561 393 1HH2 ARG 47 1HH2 ARG 47 3.161 8.582 10.012 394 2HH2 ARG 47 2HH2 ARG 47 4.060 10.034 9.687 395 H ASN 48 H ASN 48 -1.929 7.412 6.424 396 HA ASN 48 HA ASN 48 -1.851 4.937 7.765 397 1HB ASN 48 2HB ASN 48 -4.137 6.911 7.569 398 2HB ASN 48 1HB ASN 48 -4.005 5.615 8.752 399 1HD2 ASN 48 1HD2 ASN 48 -2.461 5.784 10.407 400 2HD2 ASN 48 2HD2 ASN 48 -1.756 7.312 10.829 401 H LYS 49 H LYS 49 -3.934 6.155 5.166 402 HA LYS 49 HA LYS 49 -5.482 3.804 4.908 403 1HB LYS 49 2HB LYS 49 -4.917 6.078 3.016 404 2HB LYS 49 1HB LYS 49 -5.932 4.716 2.561 405 1HG LYS 49 2HG LYS 49 -7.412 5.223 4.464 406 2HG LYS 49 1HG LYS 49 -6.425 6.642 4.821 407 1HD LYS 49 2HD LYS 49 -6.970 7.625 2.696 408 2HD LYS 49 1HD LYS 49 -7.792 6.153 2.180 409 1HE LYS 49 2HE LYS 49 -9.423 7.815 2.827 410 2HE LYS 49 1HE LYS 49 -9.447 6.480 3.977 411 1HZ LYS 49 1HZ LYS 49 -8.203 7.791 5.533 412 2HZ LYS 49 2HZ LYS 49 -9.551 8.688 5.024 413 3HZ LYS 49 3HZ LYS 49 -8.014 9.047 4.408 414 H ILE 50 H ILE 50 -2.559 4.952 3.267 415 HA ILE 50 HA ILE 50 -2.245 2.868 1.429 416 HB ILE 50 HB ILE 50 -0.124 4.500 2.841 417 1HG1 ILE 50 2HG1 ILE 50 -1.681 5.832 1.491 418 2HG1 ILE 50 1HG1 ILE 50 -0.086 5.803 0.750 419 1HG2 ILE 50 1HG2 ILE 50 0.131 2.713 0.428 420 2HG2 ILE 50 2HG2 ILE 50 0.867 2.458 2.009 421 3HG2 ILE 50 3HG2 ILE 50 1.377 3.818 1.007 422 1HD1 ILE 50 1HD1 ILE 50 -2.473 4.169 -0.085 423 2HD1 ILE 50 2HD1 ILE 50 -0.869 4.085 -0.816 424 3HD1 ILE 50 3HD1 ILE 50 -1.811 5.574 -0.924 425 H ALA 51 H ALA 51 -1.050 3.172 4.755 426 HA ALA 51 HA ALA 51 0.329 0.755 4.938 427 1HB ALA 51 1HB ALA 51 0.478 2.520 6.623 428 2HB ALA 51 2HB ALA 51 0.050 0.977 7.360 429 3HB ALA 51 3HB ALA 51 -1.188 2.208 7.109 430 H GLY 52 H GLY 52 -3.068 1.483 5.703 431 1HA GLY 52 2HA GLY 52 -3.789 -1.138 6.465 432 2HA GLY 52 1HA GLY 52 -4.899 0.114 5.931 433 H TYR 53 H TYR 53 -3.715 0.463 3.326 434 HA TYR 53 HA TYR 53 -5.071 -1.639 1.960 435 1HB TYR 53 2HB TYR 53 -3.646 0.834 1.170 436 2HB TYR 53 1HB TYR 53 -3.735 -0.441 -0.043 437 HD1 TYR 53 1HD TYR 53 -5.663 1.985 1.914 438 HD2 TYR 53 2HD TYR 53 -5.858 -1.126 -0.983 439 HE1 TYR 53 1HE TYR 53 -7.962 2.660 1.353 440 HE2 TYR 53 2HE TYR 53 -8.154 -0.460 -1.554 441 HH TYR 53 HH TYR 53 -9.546 2.467 -0.511 442 H ILE 54 H ILE 54 -1.688 -0.972 2.679 443 HA ILE 54 HA ILE 54 -0.547 -2.904 0.998 444 HB ILE 54 HB ILE 54 0.405 -1.887 3.678 445 1HG1 ILE 54 2HG1 ILE 54 1.224 -1.263 0.827 446 2HG1 ILE 54 1HG1 ILE 54 0.305 -0.208 1.899 447 1HG2 ILE 54 1HG2 ILE 54 2.608 -2.841 3.058 448 2HG2 ILE 54 2HG2 ILE 54 1.846 -3.637 1.681 449 3HG2 ILE 54 3HG2 ILE 54 1.376 -4.077 3.321 450 1HD1 ILE 54 1HD1 ILE 54 3.150 -1.103 2.291 451 2HD1 ILE 54 2HD1 ILE 54 2.238 -0.075 3.396 452 3HD1 ILE 54 3HD1 ILE 54 2.614 0.494 1.768 453 H THR 55 H THR 55 -1.572 -3.216 4.422 454 HA THR 55 HA THR 55 -1.148 -5.967 4.622 455 HB THR 55 HB THR 55 -3.173 -5.748 6.313 456 HG1 THR 55 1HG THR 55 -3.686 -3.589 5.460 457 1HG2 THR 55 1HG2 THR 55 -0.484 -4.436 6.701 458 2HG2 THR 55 2HG2 THR 55 -0.872 -6.135 6.973 459 3HG2 THR 55 3HG2 THR 55 -1.587 -4.890 7.997 460 H ARG 56 H ARG 56 -3.817 -4.179 3.195 461 HA ARG 56 HA ARG 56 -5.540 -6.424 2.893 462 1HB ARG 56 2HB ARG 56 -5.451 -3.734 1.537 463 2HB ARG 56 1HB ARG 56 -6.635 -4.963 1.110 464 1HG ARG 56 2HG ARG 56 -7.454 -4.972 3.420 465 2HG ARG 56 1HG ARG 56 -6.288 -3.712 3.831 466 1HD ARG 56 2HD ARG 56 -7.335 -2.192 2.266 467 2HD ARG 56 1HD ARG 56 -8.444 -3.457 1.739 468 HE ARG 56 HE ARG 56 -9.019 -3.359 4.329 469 1HH1 ARG 56 1HH1 ARG 56 -8.579 -0.769 2.023 470 2HH1 ARG 56 2HH1 ARG 56 -9.651 0.329 2.839 471 1HH2 ARG 56 1HH2 ARG 56 -10.437 -1.919 5.420 472 2HH2 ARG 56 2HH2 ARG 56 -10.706 -0.329 4.767 473 H ILE 57 H ILE 57 -3.103 -4.912 0.811 474 HA ILE 57 HA ILE 57 -3.517 -6.560 -1.443 475 HB ILE 57 HB ILE 57 -0.990 -5.174 -0.518 476 1HG1 ILE 57 2HG1 ILE 57 -3.039 -4.387 -2.607 477 2HG1 ILE 57 1HG1 ILE 57 -2.912 -3.682 -0.998 478 1HG2 ILE 57 1HG2 ILE 57 -0.208 -5.442 -2.832 479 2HG2 ILE 57 2HG2 ILE 57 -1.636 -6.412 -3.195 480 3HG2 ILE 57 3HG2 ILE 57 -0.445 -6.997 -2.033 481 1HD1 ILE 57 1HD1 ILE 57 -0.688 -2.835 -1.551 482 2HD1 ILE 57 2HD1 ILE 57 -1.910 -2.244 -2.676 483 3HD1 ILE 57 3HD1 ILE 57 -0.821 -3.545 -3.160 484 H ILE 58 H ILE 58 -1.305 -6.864 1.322 485 HA ILE 58 HA ILE 58 -0.173 -9.331 0.580 486 HB ILE 58 HB ILE 58 -0.662 -8.296 3.379 487 1HG1 ILE 58 2HG1 ILE 58 1.781 -8.031 1.613 488 2HG1 ILE 58 1HG1 ILE 58 0.636 -6.736 1.954 489 1HG2 ILE 58 1HG2 ILE 58 1.149 -9.780 4.038 490 2HG2 ILE 58 2HG2 ILE 58 1.301 -10.352 2.378 491 3HG2 ILE 58 3HG2 ILE 58 -0.166 -10.692 3.297 492 1HD1 ILE 58 1HD1 ILE 58 1.232 -6.864 4.329 493 2HD1 ILE 58 2HD1 ILE 58 2.629 -6.513 3.309 494 3HD1 ILE 58 3HD1 ILE 58 2.396 -8.136 3.956 495 H SER 59 H SER 59 -3.089 -8.509 2.368 496 HA SER 59 HA SER 59 -3.843 -11.119 3.104 497 1HB SER 59 2HB SER 59 -4.781 -9.029 4.092 498 2HB SER 59 1HB SER 59 -5.640 -8.737 2.582 499 HG SER 59 HG SER 59 -6.029 -10.807 4.476 500 H GLN 60 H GLN 60 -4.272 -9.272 0.163 501 HA GLN 60 HA GLN 60 -6.124 -11.066 -1.073 502 1HB GLN 60 2HB GLN 60 -5.933 -8.724 -1.769 503 2HB GLN 60 1HB GLN 60 -4.272 -8.994 -2.276 504 1HG GLN 60 2HG GLN 60 -5.048 -10.538 -4.001 505 2HG GLN 60 1HG GLN 60 -6.715 -10.281 -3.482 506 1HE2 GLN 60 1HE2 GLN 60 -5.455 -9.768 -6.074 507 2HE2 GLN 60 2HE2 GLN 60 -5.694 -8.079 -6.395 508 H GLN 61 H GLN 61 -2.642 -10.748 -0.944 509 HA GLN 61 HA GLN 61 -2.138 -12.843 -2.865 510 1HB GLN 61 2HB GLN 61 -0.280 -11.513 -0.881 511 2HB GLN 61 1HB GLN 61 0.215 -12.584 -2.183 512 1HG GLN 61 2HG GLN 61 -0.499 -10.994 -3.831 513 2HG GLN 61 1HG GLN 61 -1.176 -9.949 -2.581 514 1HE2 GLN 61 1HE2 GLN 61 0.904 -9.409 -4.570 515 2HE2 GLN 61 2HE2 GLN 61 2.300 -8.919 -3.677 516 H LYS 62 H LYS 62 -3.213 -12.825 0.261 517 HA LYS 62 HA LYS 62 -1.615 -14.950 1.336 518 1HB LYS 62 2HB LYS 62 -2.754 -13.088 2.654 519 2HB LYS 62 1HB LYS 62 -4.263 -13.945 2.382 520 1HG LYS 62 2HG LYS 62 -3.458 -15.852 3.613 521 2HG LYS 62 1HG LYS 62 -1.865 -15.115 3.781 522 1HD LYS 62 2HD LYS 62 -2.925 -13.243 5.024 523 2HD LYS 62 1HD LYS 62 -4.456 -14.117 4.959 524 1HE LYS 62 2HE LYS 62 -3.439 -15.968 6.190 525 2HE LYS 62 1HE LYS 62 -1.911 -15.093 6.252 526 1HZ LYS 62 1HZ LYS 62 -3.028 -13.331 7.494 527 2HZ LYS 62 2HZ LYS 62 -3.119 -14.815 8.312 528 3HZ LYS 62 3HZ LYS 62 -4.472 -14.224 7.477 Start of MODEL 8 1 1H MET 1 1HT MET 1 -16.086 10.770 -4.512 2 2H MET 1 2HT MET 1 -16.049 11.338 -6.108 3 3H MET 1 3HT MET 1 -17.353 11.733 -5.101 4 HA MET 1 HA MET 1 -15.909 13.622 -5.294 5 1HB MET 1 2HB MET 1 -15.662 12.235 -2.614 6 2HB MET 1 1HB MET 1 -15.330 13.938 -2.895 7 1HG MET 1 2HG MET 1 -17.642 14.323 -3.489 8 2HG MET 1 1HG MET 1 -17.997 12.606 -3.315 9 1HE MET 1 1HE MET 1 -20.023 13.236 -1.695 10 2HE MET 1 2HE MET 1 -19.638 14.951 -1.845 11 3HE MET 1 3HE MET 1 -19.848 14.229 -0.249 12 H GLY 2 H GLY 2 -13.811 14.574 -4.845 13 1HA GLY 2 2HA GLY 2 -11.524 14.659 -4.804 14 2HA GLY 2 1HA GLY 2 -11.559 13.078 -4.042 15 H ASN 3 H ASN 3 -13.025 13.517 -7.167 16 HA ASN 3 HA ASN 3 -12.553 12.656 -9.224 17 1HB ASN 3 2HB ASN 3 -9.749 13.282 -8.290 18 2HB ASN 3 1HB ASN 3 -10.094 12.662 -9.901 19 1HD2 ASN 3 1HD2 ASN 3 -9.279 14.541 -10.839 20 2HD2 ASN 3 2HD2 ASN 3 -10.164 16.032 -10.821 21 H ILE 4 H ILE 4 -12.581 10.949 -6.760 22 HA ILE 4 HA ILE 4 -12.189 8.863 -6.009 23 HB ILE 4 HB ILE 4 -12.660 7.033 -7.529 24 1HG1 ILE 4 2HG1 ILE 4 -12.653 9.082 -9.752 25 2HG1 ILE 4 1HG1 ILE 4 -11.407 7.865 -9.505 26 1HG2 ILE 4 1HG2 ILE 4 -14.497 8.292 -6.614 27 2HG2 ILE 4 2HG2 ILE 4 -14.881 7.774 -8.255 28 3HG2 ILE 4 3HG2 ILE 4 -14.407 9.444 -7.947 29 1HD1 ILE 4 1HD1 ILE 4 -12.937 7.191 -11.251 30 2HD1 ILE 4 2HD1 ILE 4 -14.302 7.334 -10.141 31 3HD1 ILE 4 3HD1 ILE 4 -13.065 6.106 -9.867 32 H ARG 5 H ARG 5 -9.702 10.314 -6.786 33 HA ARG 5 HA ARG 5 -7.950 8.211 -7.640 34 1HB ARG 5 2HB ARG 5 -6.108 9.776 -6.840 35 2HB ARG 5 1HB ARG 5 -7.105 10.330 -8.173 36 1HG ARG 5 2HG ARG 5 -8.289 11.837 -6.763 37 2HG ARG 5 1HG ARG 5 -7.541 11.149 -5.317 38 1HD ARG 5 2HD ARG 5 -5.592 12.260 -5.631 39 2HD ARG 5 1HD ARG 5 -5.682 12.131 -7.385 40 HE ARG 5 HE ARG 5 -7.392 13.957 -7.231 41 1HH1 ARG 5 1HH1 ARG 5 -4.908 13.589 -4.783 42 2HH1 ARG 5 2HH1 ARG 5 -4.888 15.271 -4.372 43 1HH2 ARG 5 1HH2 ARG 5 -7.347 16.171 -6.709 44 2HH2 ARG 5 2HH2 ARG 5 -6.255 16.754 -5.489 45 H THR 6 H THR 6 -8.068 6.520 -6.419 46 HA THR 6 HA THR 6 -6.810 6.522 -3.827 47 HB THR 6 HB THR 6 -9.708 5.636 -4.037 48 HG1 THR 6 1HG THR 6 -8.709 8.032 -3.513 49 1HG2 THR 6 1HG2 THR 6 -8.410 4.183 -2.568 50 2HG2 THR 6 2HG2 THR 6 -9.517 5.185 -1.629 51 3HG2 THR 6 3HG2 THR 6 -7.800 5.590 -1.695 52 H SER 7 H SER 7 -8.458 4.880 -6.463 53 HA SER 7 HA SER 7 -7.510 2.285 -6.031 54 1HB SER 7 2HB SER 7 -7.637 3.536 -8.767 55 2HB SER 7 1HB SER 7 -8.106 1.907 -8.272 56 HG SER 7 HG SER 7 -10.048 2.698 -8.119 57 H PHE 8 H PHE 8 -5.958 5.213 -6.970 58 HA PHE 8 HA PHE 8 -3.574 4.115 -8.039 59 1HB PHE 8 2HB PHE 8 -4.275 6.834 -6.947 60 2HB PHE 8 1HB PHE 8 -2.665 6.446 -7.548 61 HD1 PHE 8 1HD PHE 8 -6.163 7.014 -8.464 62 HD2 PHE 8 2HD PHE 8 -2.265 6.082 -9.899 63 HE1 PHE 8 1HE PHE 8 -6.894 7.505 -10.763 64 HE2 PHE 8 2HE PHE 8 -2.988 6.573 -12.197 65 HZ PHE 8 HZ PHE 8 -5.305 7.285 -12.632 66 H VAL 9 H VAL 9 -4.779 4.301 -4.861 67 HA VAL 9 HA VAL 9 -2.292 4.372 -3.481 68 HB VAL 9 HB VAL 9 -4.942 3.176 -2.636 69 1HG1 VAL 9 1HG1 VAL 9 -2.507 3.790 -0.969 70 2HG1 VAL 9 2HG1 VAL 9 -3.066 2.176 -1.412 71 3HG1 VAL 9 3HG1 VAL 9 -4.057 3.199 -0.370 72 1HG2 VAL 9 1HG2 VAL 9 -5.017 5.599 -3.014 73 2HG2 VAL 9 2HG2 VAL 9 -3.641 5.809 -1.934 74 3HG2 VAL 9 3HG2 VAL 9 -5.176 5.216 -1.299 75 H LYS 10 H LYS 10 -4.324 1.806 -4.805 76 HA LYS 10 HA LYS 10 -2.666 -0.369 -4.079 77 1HB LYS 10 2HB LYS 10 -5.000 -0.642 -4.829 78 2HB LYS 10 1HB LYS 10 -4.554 -0.077 -6.432 79 1HG LYS 10 2HG LYS 10 -3.118 -2.025 -6.733 80 2HG LYS 10 1HG LYS 10 -3.535 -2.583 -5.110 81 1HD LYS 10 2HD LYS 10 -5.877 -2.769 -5.762 82 2HD LYS 10 1HD LYS 10 -5.488 -2.177 -7.378 83 1HE LYS 10 2HE LYS 10 -4.394 -4.700 -6.139 84 2HE LYS 10 1HE LYS 10 -5.735 -4.633 -7.280 85 1HZ LYS 10 1HZ LYS 10 -2.910 -3.887 -7.789 86 2HZ LYS 10 2HZ LYS 10 -4.174 -3.567 -8.872 87 3HZ LYS 10 3HZ LYS 10 -3.777 -5.170 -8.480 88 H ARG 11 H ARG 11 -2.820 1.753 -6.878 89 HA ARG 11 HA ARG 11 -0.783 0.701 -8.450 90 1HB ARG 11 2HB ARG 11 -2.094 2.421 -9.377 91 2HB ARG 11 1HB ARG 11 -1.833 3.485 -8.008 92 1HG ARG 11 2HG ARG 11 -0.644 4.368 -9.859 93 2HG ARG 11 1HG ARG 11 0.542 3.717 -8.730 94 1HD ARG 11 2HD ARG 11 0.992 1.867 -10.104 95 2HD ARG 11 1HD ARG 11 -0.472 2.114 -11.059 96 HE ARG 11 HE ARG 11 0.809 4.350 -11.608 97 1HH1 ARG 11 1HH1 ARG 11 2.171 1.143 -11.348 98 2HH1 ARG 11 2HH1 ARG 11 3.335 1.402 -12.616 99 1HH2 ARG 11 1HH2 ARG 11 2.346 4.713 -13.240 100 2HH2 ARG 11 2HH2 ARG 11 3.429 3.430 -13.698 101 H ILE 12 H ILE 12 -0.529 3.182 -5.898 102 HA ILE 12 HA ILE 12 2.278 3.419 -6.052 103 HB ILE 12 HB ILE 12 0.408 4.087 -3.778 104 1HG1 ILE 12 2HG1 ILE 12 -0.066 5.355 -5.796 105 2HG1 ILE 12 1HG1 ILE 12 0.685 6.408 -4.598 106 1HG2 ILE 12 1HG2 ILE 12 2.687 3.790 -2.947 107 2HG2 ILE 12 2HG2 ILE 12 2.206 5.485 -2.891 108 3HG2 ILE 12 3HG2 ILE 12 3.284 4.917 -4.166 109 1HD1 ILE 12 1HD1 ILE 12 2.815 6.222 -5.767 110 2HD1 ILE 12 2HD1 ILE 12 1.548 6.835 -6.830 111 3HD1 ILE 12 3HD1 ILE 12 2.074 5.155 -6.959 112 H ALA 13 H ALA 13 0.183 1.506 -3.907 113 HA ALA 13 HA ALA 13 2.205 0.478 -2.258 114 1HB ALA 13 1HB ALA 13 0.599 -1.223 -1.605 115 2HB ALA 13 2HB ALA 13 -0.405 -0.840 -3.004 116 3HB ALA 13 3HB ALA 13 -0.188 0.350 -1.720 117 H LYS 14 H LYS 14 0.834 -0.754 -5.280 118 HA LYS 14 HA LYS 14 2.224 -3.186 -5.373 119 1HB LYS 14 2HB LYS 14 0.382 -2.866 -6.847 120 2HB LYS 14 1HB LYS 14 1.094 -1.414 -7.535 121 1HG LYS 14 2HG LYS 14 2.810 -2.717 -8.617 122 2HG LYS 14 1HG LYS 14 2.217 -4.192 -7.850 123 1HD LYS 14 2HD LYS 14 0.192 -4.121 -9.086 124 2HD LYS 14 1HD LYS 14 0.523 -2.484 -9.656 125 1HE LYS 14 2HE LYS 14 2.269 -4.845 -10.318 126 2HE LYS 14 1HE LYS 14 0.919 -4.334 -11.329 127 1HZ LYS 14 1HZ LYS 14 3.100 -2.469 -10.571 128 2HZ LYS 14 2HZ LYS 14 1.968 -2.317 -11.830 129 3HZ LYS 14 3HZ LYS 14 3.206 -3.469 -11.937 130 H GLU 15 H GLU 15 3.037 -0.045 -6.842 131 HA GLU 15 HA GLU 15 5.538 -0.951 -7.851 132 1HB GLU 15 2HB GLU 15 4.125 1.654 -7.664 133 2HB GLU 15 1HB GLU 15 5.865 1.692 -7.914 134 1HG GLU 15 2HG GLU 15 4.433 1.771 -9.984 135 2HG GLU 15 1HG GLU 15 5.707 0.556 -9.963 136 H MET 16 H MET 16 4.523 0.282 -4.793 137 HA MET 16 HA MET 16 7.048 1.154 -3.835 138 1HB MET 16 2HB MET 16 4.941 1.810 -2.765 139 2HB MET 16 1HB MET 16 4.631 0.137 -2.323 140 1HG MET 16 2HG MET 16 6.617 0.156 -0.892 141 2HG MET 16 1HG MET 16 6.906 1.839 -1.326 142 1HE MET 16 1HE MET 16 3.911 2.936 -1.441 143 2HE MET 16 2HE MET 16 5.217 3.837 -0.671 144 3HE MET 16 3HE MET 16 3.701 3.568 0.192 145 H ILE 17 H ILE 17 5.228 -1.854 -3.320 146 HA ILE 17 HA ILE 17 7.440 -3.200 -2.084 147 HB ILE 17 HB ILE 17 4.912 -4.383 -3.257 148 1HG1 ILE 17 2HG1 ILE 17 5.483 -3.515 -0.412 149 2HG1 ILE 17 1HG1 ILE 17 4.455 -2.647 -1.547 150 1HG2 ILE 17 1HG2 ILE 17 6.829 -5.478 -1.200 151 2HG2 ILE 17 2HG2 ILE 17 6.678 -6.028 -2.869 152 3HG2 ILE 17 3HG2 ILE 17 5.340 -6.253 -1.743 153 1HD1 ILE 17 1HD1 ILE 17 3.958 -5.433 -0.526 154 2HD1 ILE 17 2HD1 ILE 17 2.911 -4.518 -1.609 155 3HD1 ILE 17 3HD1 ILE 17 3.163 -3.967 0.048 156 H GLU 18 H GLU 18 6.295 -2.661 -5.262 157 HA GLU 18 HA GLU 18 6.881 -3.292 -7.339 158 1HB GLU 18 2HB GLU 18 9.160 -2.621 -6.573 159 2HB GLU 18 1HB GLU 18 9.458 -4.290 -6.106 160 1HG GLU 18 2HG GLU 18 9.007 -4.930 -8.489 161 2HG GLU 18 1HG GLU 18 8.995 -3.210 -8.874 162 H THR 19 H THR 19 8.761 -5.906 -5.937 163 HA THR 19 HA THR 19 6.556 -7.777 -6.105 164 HB THR 19 HB THR 19 9.052 -8.516 -7.625 165 HG1 THR 19 1HG THR 19 6.995 -6.804 -8.415 166 1HG2 THR 19 1HG2 THR 19 6.172 -9.414 -7.826 167 2HG2 THR 19 2HG2 THR 19 7.468 -10.286 -7.006 168 3HG2 THR 19 3HG2 THR 19 7.526 -10.060 -8.753 169 H HIS 20 H HIS 20 8.734 -6.529 -4.287 170 HA HIS 20 HA HIS 20 9.624 -8.997 -3.026 171 1HB HIS 20 2HB HIS 20 11.426 -8.531 -4.571 172 2HB HIS 20 1HB HIS 20 11.489 -6.850 -4.059 173 HD1 HIS 20 1HD HIS 20 13.479 -6.435 -2.696 174 HD2 HIS 20 2HD HIS 20 11.946 -10.249 -2.050 175 HE1 HIS 20 1HE HIS 20 14.990 -7.495 -0.979 176 HE2 HIS 20 2HE HIS 20 14.181 -9.878 -0.793 177 HA PRO 21 HA PRO 21 8.501 -6.017 0.184 178 1HB PRO 21 2HB PRO 21 7.409 -7.777 1.870 179 2HB PRO 21 1HB PRO 21 6.569 -7.285 0.393 180 1HG PRO 21 2HG PRO 21 8.098 -9.789 0.960 181 2HG PRO 21 1HG PRO 21 6.589 -9.579 0.059 182 1HD PRO 21 2HD PRO 21 9.110 -9.832 -1.076 183 2HD PRO 21 1HD PRO 21 7.687 -9.142 -1.882 184 H GLY 22 H GLY 22 9.109 -5.813 2.473 185 1HA GLY 22 2HA GLY 22 11.764 -6.898 2.945 186 2HA GLY 22 1HA GLY 22 10.961 -5.654 3.891 187 H LYS 23 H LYS 23 8.535 -7.391 4.087 188 HA LYS 23 HA LYS 23 9.535 -9.422 5.969 189 1HB LYS 23 2HB LYS 23 7.185 -7.568 6.410 190 2HB LYS 23 1HB LYS 23 7.613 -8.911 7.455 191 1HG LYS 23 2HG LYS 23 9.753 -7.800 7.962 192 2HG LYS 23 1HG LYS 23 9.252 -6.432 6.964 193 1HD LYS 23 2HD LYS 23 8.808 -5.948 9.299 194 2HD LYS 23 1HD LYS 23 7.285 -6.122 8.427 195 1HE LYS 23 2HE LYS 23 7.176 -8.480 9.235 196 2HE LYS 23 1HE LYS 23 8.602 -8.162 10.220 197 1HZ LYS 23 1HZ LYS 23 7.257 -6.297 11.238 198 2HZ LYS 23 2HZ LYS 23 6.776 -7.877 11.630 199 3HZ LYS 23 3HZ LYS 23 5.895 -6.987 10.492 200 H PHE 24 H PHE 24 6.703 -8.248 4.214 201 HA PHE 24 HA PHE 24 4.944 -9.234 3.210 202 1HB PHE 24 2HB PHE 24 6.759 -10.526 2.005 203 2HB PHE 24 1HB PHE 24 6.519 -11.813 3.182 204 HD1 PHE 24 1HD PHE 24 4.734 -13.341 2.967 205 HD2 PHE 24 2HD PHE 24 4.867 -9.871 0.512 206 HE1 PHE 24 1HE PHE 24 2.893 -14.239 1.603 207 HE2 PHE 24 2HE PHE 24 3.028 -10.761 -0.855 208 HZ PHE 24 HZ PHE 24 2.035 -12.945 -0.310 209 H THR 25 H THR 25 3.827 -8.918 5.165 210 HA THR 25 HA THR 25 2.687 -11.372 6.152 211 HB THR 25 HB THR 25 3.787 -9.398 8.172 212 HG1 THR 25 1HG THR 25 5.043 -11.454 6.848 213 1HG2 THR 25 1HG2 THR 25 3.300 -11.181 9.781 214 2HG2 THR 25 2HG2 THR 25 2.685 -12.196 8.476 215 3HG2 THR 25 3HG2 THR 25 1.846 -10.705 8.904 216 H ASP 26 H ASP 26 0.557 -11.052 6.789 217 HA ASP 26 HA ASP 26 -0.636 -8.500 6.256 218 1HB ASP 26 2HB ASP 26 -2.739 -9.614 7.090 219 2HB ASP 26 1HB ASP 26 -1.960 -10.427 5.739 220 H ASP 27 H ASP 27 0.985 -7.587 7.799 221 HA ASP 27 HA ASP 27 -0.194 -7.293 10.460 222 1HB ASP 27 2HB ASP 27 1.459 -8.544 11.341 223 2HB ASP 27 1HB ASP 27 2.334 -8.588 9.817 224 H PHE 28 H PHE 28 0.306 -5.296 11.464 225 HA PHE 28 HA PHE 28 0.368 -3.177 9.561 226 1HB PHE 28 2HB PHE 28 0.307 -3.135 12.582 227 2HB PHE 28 1HB PHE 28 0.131 -1.710 11.565 228 HD1 PHE 28 1HD PHE 28 -1.853 -1.486 10.096 229 HD2 PHE 28 2HD PHE 28 -1.495 -4.626 12.950 230 HE1 PHE 28 1HE PHE 28 -4.274 -1.897 9.944 231 HE2 PHE 28 2HE PHE 28 -3.914 -5.045 12.796 232 HZ PHE 28 HZ PHE 28 -5.308 -3.680 11.293 233 H ASP 29 H ASP 29 2.739 -4.581 11.720 234 HA ASP 29 HA ASP 29 4.607 -2.436 11.642 235 1HB ASP 29 2HB ASP 29 4.762 -4.215 13.326 236 2HB ASP 29 1HB ASP 29 5.077 -5.397 12.059 237 H THR 30 H THR 30 4.041 -5.273 9.637 238 HA THR 30 HA THR 30 6.150 -4.992 7.826 239 HB THR 30 HB THR 30 3.338 -5.969 7.274 240 HG1 THR 30 1HG THR 30 4.373 -7.159 8.929 241 1HG2 THR 30 1HG2 THR 30 4.358 -7.212 5.420 242 2HG2 THR 30 2HG2 THR 30 5.910 -6.452 5.767 243 3HG2 THR 30 3HG2 THR 30 4.553 -5.473 5.210 244 H ASN 31 H ASN 31 2.843 -3.665 7.670 245 HA ASN 31 HA ASN 31 3.067 -2.103 5.391 246 1HB ASN 31 2HB ASN 31 1.614 -1.430 7.959 247 2HB ASN 31 1HB ASN 31 1.338 -0.655 6.406 248 1HD2 ASN 31 1HD2 ASN 31 -0.440 -2.160 8.163 249 2HD2 ASN 31 2HD2 ASN 31 -1.108 -3.417 7.178 250 H LYS 32 H LYS 32 3.684 -1.164 8.750 251 HA LYS 32 HA LYS 32 4.509 1.435 8.423 252 1HB LYS 32 2HB LYS 32 4.214 0.519 10.617 253 2HB LYS 32 1HB LYS 32 5.480 -0.672 10.355 254 1HG LYS 32 2HG LYS 32 7.051 1.337 10.096 255 2HG LYS 32 1HG LYS 32 5.744 2.275 10.825 256 1HD LYS 32 2HD LYS 32 5.797 0.928 12.807 257 2HD LYS 32 1HD LYS 32 6.926 -0.206 12.064 258 1HE LYS 32 2HE LYS 32 8.574 1.662 11.887 259 2HE LYS 32 1HE LYS 32 7.457 2.667 12.811 260 1HZ LYS 32 1HZ LYS 32 8.647 0.112 13.759 261 2HZ LYS 32 2HZ LYS 32 7.629 1.137 14.657 262 3HZ LYS 32 3HZ LYS 32 9.175 1.662 14.204 263 H LYS 33 H LYS 33 6.610 -1.443 8.421 264 HA LYS 33 HA LYS 33 8.985 0.020 8.014 265 1HB LYS 33 2HB LYS 33 8.838 -2.296 8.961 266 2HB LYS 33 1HB LYS 33 8.517 -2.885 7.334 267 1HG LYS 33 2HG LYS 33 10.681 -1.987 6.602 268 2HG LYS 33 1HG LYS 33 11.006 -1.460 8.253 269 1HD LYS 33 2HD LYS 33 10.789 -3.834 8.982 270 2HD LYS 33 1HD LYS 33 10.643 -4.295 7.285 271 1HE LYS 33 2HE LYS 33 12.995 -2.919 8.579 272 2HE LYS 33 1HE LYS 33 12.928 -4.598 8.047 273 1HZ LYS 33 1HZ LYS 33 12.649 -3.818 5.765 274 2HZ LYS 33 2HZ LYS 33 14.082 -3.216 6.441 275 3HZ LYS 33 3HZ LYS 33 12.734 -2.208 6.287 276 H LEU 34 H LEU 34 6.755 -1.554 5.758 277 HA LEU 34 HA LEU 34 8.488 -1.255 3.512 278 1HB LEU 34 2HB LEU 34 5.692 -2.135 3.943 279 2HB LEU 34 1HB LEU 34 6.100 -1.566 2.336 280 HG LEU 34 HG LEU 34 7.848 -3.263 2.148 281 1HD1 LEU 34 1HD1 LEU 34 8.517 -3.411 4.482 282 2HD1 LEU 34 2HD1 LEU 34 8.099 -5.004 3.848 283 3HD1 LEU 34 3HD1 LEU 34 6.967 -4.145 4.894 284 1HD2 LEU 34 1HD2 LEU 34 5.606 -3.831 1.418 285 2HD2 LEU 34 2HD2 LEU 34 5.196 -4.379 3.043 286 3HD2 LEU 34 3HD2 LEU 34 6.410 -5.245 2.103 287 H VAL 35 H VAL 35 5.677 0.573 4.688 288 HA VAL 35 HA VAL 35 5.585 2.432 2.581 289 HB VAL 35 HB VAL 35 4.783 2.792 5.476 290 1HG1 VAL 35 1HG1 VAL 35 5.148 4.964 4.427 291 2HG1 VAL 35 2HG1 VAL 35 3.428 4.682 4.691 292 3HG1 VAL 35 3HG1 VAL 35 4.114 4.498 3.077 293 1HG2 VAL 35 1HG2 VAL 35 2.510 2.415 4.634 294 2HG2 VAL 35 2HG2 VAL 35 3.557 1.024 4.345 295 3HG2 VAL 35 3HG2 VAL 35 3.163 2.122 3.023 296 H GLU 36 H GLU 36 7.226 2.597 5.736 297 HA GLU 36 HA GLU 36 8.357 5.167 5.195 298 1HB GLU 36 2HB GLU 36 8.908 3.117 7.338 299 2HB GLU 36 1HB GLU 36 9.675 4.699 7.285 300 1HG GLU 36 2HG GLU 36 6.697 4.286 7.382 301 2HG GLU 36 1HG GLU 36 7.704 4.521 8.808 302 H GLU 37 H GLU 37 9.143 2.115 4.092 303 HA GLU 37 HA GLU 37 12.003 2.459 3.989 304 1HB GLU 37 2HB GLU 37 10.602 0.242 3.975 305 2HB GLU 37 1HB GLU 37 10.495 0.541 2.246 306 1HG GLU 37 2HG GLU 37 12.312 -0.925 2.584 307 2HG GLU 37 1HG GLU 37 12.993 0.653 2.199 308 H PHE 38 H PHE 38 9.290 2.623 1.698 309 HA PHE 38 HA PHE 38 11.098 3.906 -0.241 310 1HB PHE 38 2HB PHE 38 8.495 2.464 -0.778 311 2HB PHE 38 1HB PHE 38 9.539 3.187 -1.997 312 HD1 PHE 38 1HD PHE 38 8.999 0.354 0.209 313 HD2 PHE 38 2HD PHE 38 11.696 2.168 -2.534 314 HE1 PHE 38 1HE PHE 38 10.224 -1.769 0.022 315 HE2 PHE 38 2HE PHE 38 12.931 0.046 -2.727 316 HZ PHE 38 HZ PHE 38 12.191 -1.927 -1.448 317 H SER 39 H SER 39 7.599 3.956 -0.421 318 HA SER 39 HA SER 39 6.068 5.625 -0.439 319 1HB SER 39 2HB SER 39 6.706 5.634 1.974 320 2HB SER 39 1HB SER 39 7.879 6.900 1.624 321 HG SER 39 HG SER 39 6.179 8.058 2.187 322 H THR 40 H THR 40 6.089 8.274 -0.226 323 HA THR 40 HA THR 40 8.188 9.435 -1.885 324 HB THR 40 HB THR 40 5.250 9.836 -2.522 325 HG1 THR 40 1HG THR 40 7.237 8.280 -3.874 326 1HG2 THR 40 1HG2 THR 40 6.659 11.760 -3.047 327 2HG2 THR 40 2HG2 THR 40 6.106 10.975 -4.526 328 3HG2 THR 40 3HG2 THR 40 7.756 10.724 -3.960 329 H VAL 41 H VAL 41 4.989 10.248 -0.583 330 HA VAL 41 HA VAL 41 6.223 12.085 1.341 331 HB VAL 41 HB VAL 41 3.751 12.756 -0.283 332 1HG1 VAL 41 1HG1 VAL 41 5.237 14.376 1.778 333 2HG1 VAL 41 2HG1 VAL 41 3.659 13.621 1.991 334 3HG1 VAL 41 3HG1 VAL 41 3.861 14.929 0.825 335 1HG2 VAL 41 1HG2 VAL 41 6.498 13.990 -0.409 336 2HG2 VAL 41 2HG2 VAL 41 5.070 14.550 -1.283 337 3HG2 VAL 41 3HG2 VAL 41 5.761 12.968 -1.644 338 H SER 42 H SER 42 5.823 10.709 3.068 339 HA SER 42 HA SER 42 3.144 9.548 3.239 340 1HB SER 42 2HB SER 42 4.215 8.130 5.077 341 2HB SER 42 1HB SER 42 4.748 7.844 3.422 342 HG SER 42 HG SER 42 6.353 8.154 5.285 343 H THR 43 H THR 43 1.966 11.270 4.005 344 HA THR 43 HA THR 43 2.535 12.285 6.662 345 HB THR 43 HB THR 43 0.235 13.333 6.410 346 HG1 THR 43 1HG THR 43 -0.085 13.289 3.841 347 1HG2 THR 43 1HG2 THR 43 0.986 15.041 4.818 348 2HG2 THR 43 2HG2 THR 43 2.270 13.966 4.267 349 3HG2 THR 43 3HG2 THR 43 2.284 14.581 5.919 350 H LYS 44 H LYS 44 0.532 12.094 8.251 351 HA LYS 44 HA LYS 44 0.376 9.372 8.923 352 1HB LYS 44 2HB LYS 44 -1.260 11.720 9.876 353 2HB LYS 44 1HB LYS 44 -1.392 10.107 10.560 354 1HG LYS 44 2HG LYS 44 1.103 10.262 11.019 355 2HG LYS 44 1HG LYS 44 0.949 11.982 10.649 356 1HD LYS 44 2HD LYS 44 -0.736 12.215 12.399 357 2HD LYS 44 1HD LYS 44 -0.604 10.493 12.762 358 1HE LYS 44 2HE LYS 44 1.805 10.865 13.283 359 2HE LYS 44 1HE LYS 44 1.529 12.595 13.085 360 1HZ LYS 44 1HZ LYS 44 1.383 12.095 15.383 361 2HZ LYS 44 2HZ LYS 44 0.324 10.798 15.113 362 3HZ LYS 44 3HZ LYS 44 -0.202 12.389 14.848 363 H HIS 45 H HIS 45 -2.157 11.530 7.632 364 HA HIS 45 HA HIS 45 -4.110 9.474 7.537 365 1HB HIS 45 2HB HIS 45 -4.544 11.972 7.609 366 2HB HIS 45 1HB HIS 45 -4.136 12.010 5.896 367 HD1 HIS 45 1HD HIS 45 -6.591 12.831 5.434 368 HD2 HIS 45 2HD HIS 45 -6.294 9.007 7.051 369 HE1 HIS 45 1HE HIS 45 -8.853 11.774 5.111 370 HE2 HIS 45 2HE HIS 45 -8.704 9.551 6.290 371 H LEU 46 H LEU 46 -1.612 10.472 5.336 372 HA LEU 46 HA LEU 46 -2.725 9.102 3.066 373 1HB LEU 46 2HB LEU 46 -1.161 11.047 2.896 374 2HB LEU 46 1HB LEU 46 0.118 10.024 3.513 375 HG LEU 46 HG LEU 46 -1.322 9.136 1.053 376 1HD1 LEU 46 1HD1 LEU 46 0.190 10.467 -0.336 377 2HD1 LEU 46 2HD1 LEU 46 0.794 11.283 1.107 378 3HD1 LEU 46 3HD1 LEU 46 -0.888 11.486 0.617 379 1HD2 LEU 46 1HD2 LEU 46 0.901 8.284 0.489 380 2HD2 LEU 46 2HD2 LEU 46 0.369 7.699 2.065 381 3HD2 LEU 46 3HD2 LEU 46 1.553 9.002 1.962 382 H ARG 47 H ARG 47 -0.253 8.430 5.508 383 HA ARG 47 HA ARG 47 0.607 5.937 4.563 384 1HB ARG 47 2HB ARG 47 1.788 7.095 6.344 385 2HB ARG 47 1HB ARG 47 0.394 6.951 7.406 386 1HG ARG 47 2HG ARG 47 0.654 4.470 7.279 387 2HG ARG 47 1HG ARG 47 2.161 4.733 6.399 388 1HD ARG 47 2HD ARG 47 1.559 5.808 9.152 389 2HD ARG 47 1HD ARG 47 2.483 4.342 8.829 390 HE ARG 47 HE ARG 47 3.891 6.100 7.441 391 1HH1 ARG 47 1HH1 ARG 47 2.492 6.410 10.636 392 2HH1 ARG 47 2HH1 ARG 47 3.760 7.445 11.232 393 1HH2 ARG 47 1HH2 ARG 47 5.577 7.461 8.224 394 2HH2 ARG 47 2HH2 ARG 47 5.499 8.041 9.861 395 H ASN 48 H ASN 48 -2.104 6.829 6.622 396 HA ASN 48 HA ASN 48 -3.003 4.293 7.348 397 1HB ASN 48 2HB ASN 48 -4.453 6.900 6.924 398 2HB ASN 48 1HB ASN 48 -5.295 5.448 7.457 399 1HD2 ASN 48 1HD2 ASN 48 -5.828 6.549 9.385 400 2HD2 ASN 48 2HD2 ASN 48 -4.666 6.739 10.653 401 H LYS 49 H LYS 49 -3.553 6.138 4.398 402 HA LYS 49 HA LYS 49 -5.529 4.388 3.319 403 1HB LYS 49 2HB LYS 49 -3.668 6.211 1.776 404 2HB LYS 49 1HB LYS 49 -5.224 5.591 1.246 405 1HG LYS 49 2HG LYS 49 -4.870 7.440 3.588 406 2HG LYS 49 1HG LYS 49 -5.215 7.987 1.950 407 1HD LYS 49 2HD LYS 49 -6.968 6.034 3.430 408 2HD LYS 49 1HD LYS 49 -7.205 7.781 3.508 409 1HE LYS 49 2HE LYS 49 -7.346 7.764 0.995 410 2HE LYS 49 1HE LYS 49 -7.371 6.004 1.080 411 1HZ LYS 49 1HZ LYS 49 -9.395 6.106 2.367 412 2HZ LYS 49 2HZ LYS 49 -9.601 6.980 0.930 413 3HZ LYS 49 3HZ LYS 49 -9.347 7.800 2.392 414 H ILE 50 H ILE 50 -2.049 4.808 2.781 415 HA ILE 50 HA ILE 50 -1.732 2.783 0.861 416 HB ILE 50 HB ILE 50 0.334 3.764 2.840 417 1HG1 ILE 50 2HG1 ILE 50 -0.678 5.607 1.545 418 2HG1 ILE 50 1HG1 ILE 50 1.008 5.354 1.116 419 1HG2 ILE 50 1HG2 ILE 50 1.972 3.048 1.166 420 2HG2 ILE 50 2HG2 ILE 50 0.669 2.406 0.166 421 3HG2 ILE 50 3HG2 ILE 50 1.000 1.696 1.747 422 1HD1 ILE 50 1HD1 ILE 50 0.307 4.160 -0.902 423 2HD1 ILE 50 2HD1 ILE 50 -0.337 5.800 -0.845 424 3HD1 ILE 50 3HD1 ILE 50 -1.381 4.431 -0.467 425 H ALA 51 H ALA 51 -1.102 2.715 4.364 426 HA ALA 51 HA ALA 51 -0.226 0.059 4.509 427 1HB ALA 51 1HB ALA 51 0.115 1.695 6.291 428 2HB ALA 51 2HB ALA 51 -0.652 0.229 6.902 429 3HB ALA 51 3HB ALA 51 -1.614 1.682 6.634 430 H GLY 52 H GLY 52 -3.463 1.445 4.708 431 1HA GLY 52 2HA GLY 52 -4.865 -0.844 5.489 432 2HA GLY 52 1HA GLY 52 -5.530 0.470 4.530 433 H TYR 53 H TYR 53 -3.987 0.288 2.246 434 HA TYR 53 HA TYR 53 -5.318 -1.860 0.932 435 1HB TYR 53 2HB TYR 53 -3.457 0.305 0.055 436 2HB TYR 53 1HB TYR 53 -3.776 -1.049 -1.027 437 HD1 TYR 53 1HD TYR 53 -5.469 1.613 0.941 438 HD2 TYR 53 2HD TYR 53 -5.716 -1.091 -2.332 439 HE1 TYR 53 1HE TYR 53 -7.567 2.674 0.230 440 HE2 TYR 53 2HE TYR 53 -7.814 -0.036 -3.056 441 HH TYR 53 HH TYR 53 -8.870 2.916 -1.933 442 H ILE 54 H ILE 54 -1.970 -1.323 1.968 443 HA ILE 54 HA ILE 54 -0.790 -3.487 0.649 444 HB ILE 54 HB ILE 54 -0.076 -2.471 3.407 445 1HG1 ILE 54 2HG1 ILE 54 1.029 -1.684 0.700 446 2HG1 ILE 54 1HG1 ILE 54 -0.035 -0.694 1.698 447 1HG2 ILE 54 1HG2 ILE 54 0.896 -4.660 2.939 448 2HG2 ILE 54 2HG2 ILE 54 2.143 -3.415 2.942 449 3HG2 ILE 54 3HG2 ILE 54 1.546 -4.058 1.413 450 1HD1 ILE 54 1HD1 ILE 54 2.238 0.048 1.940 451 2HD1 ILE 54 2HD1 ILE 54 2.757 -1.579 2.380 452 3HD1 ILE 54 3HD1 ILE 54 1.688 -0.674 3.453 453 H THR 55 H THR 55 -1.993 -3.386 4.010 454 HA THR 55 HA THR 55 -1.839 -6.047 4.647 455 HB THR 55 HB THR 55 -4.306 -4.530 5.434 456 HG1 THR 55 1HG THR 55 -2.656 -2.981 5.607 457 1HG2 THR 55 1HG2 THR 55 -3.940 -6.775 6.334 458 2HG2 THR 55 2HG2 THR 55 -3.821 -5.560 7.607 459 3HG2 THR 55 3HG2 THR 55 -2.359 -6.279 6.935 460 H ARG 56 H ARG 56 -4.490 -4.409 2.916 461 HA ARG 56 HA ARG 56 -6.190 -6.612 2.629 462 1HB ARG 56 2HB ARG 56 -5.783 -4.224 0.830 463 2HB ARG 56 1HB ARG 56 -7.059 -5.408 0.596 464 1HG ARG 56 2HG ARG 56 -7.971 -4.855 2.792 465 2HG ARG 56 1HG ARG 56 -6.695 -3.657 3.015 466 1HD ARG 56 2HD ARG 56 -7.491 -2.391 1.122 467 2HD ARG 56 1HD ARG 56 -8.694 -3.626 0.758 468 HE ARG 56 HE ARG 56 -9.025 -2.644 3.404 469 1HH1 ARG 56 1HH1 ARG 56 -9.581 -1.768 0.043 470 2HH1 ARG 56 2HH1 ARG 56 -10.927 -0.730 0.414 471 1HH2 ARG 56 1HH2 ARG 56 -10.793 -1.295 3.873 472 2HH2 ARG 56 2HH2 ARG 56 -11.626 -0.466 2.588 473 H ILE 57 H ILE 57 -3.704 -5.385 0.395 474 HA ILE 57 HA ILE 57 -4.038 -7.295 -1.610 475 HB ILE 57 HB ILE 57 -1.508 -5.854 -0.792 476 1HG1 ILE 57 2HG1 ILE 57 -3.534 -5.230 -2.956 477 2HG1 ILE 57 1HG1 ILE 57 -3.390 -4.377 -1.423 478 1HG2 ILE 57 1HG2 ILE 57 -0.708 -6.345 -3.064 479 2HG2 ILE 57 2HG2 ILE 57 -2.145 -7.324 -3.350 480 3HG2 ILE 57 3HG2 ILE 57 -0.973 -7.815 -2.127 481 1HD1 ILE 57 1HD1 ILE 57 -1.216 -4.506 -3.495 482 2HD1 ILE 57 2HD1 ILE 57 -1.232 -3.533 -2.025 483 3HD1 ILE 57 3HD1 ILE 57 -2.370 -3.184 -3.328 484 H ILE 58 H ILE 58 -1.872 -7.326 1.211 485 HA ILE 58 HA ILE 58 -0.656 -9.801 0.634 486 HB ILE 58 HB ILE 58 -1.041 -8.488 3.332 487 1HG1 ILE 58 2HG1 ILE 58 1.289 -8.409 1.398 488 2HG1 ILE 58 1HG1 ILE 58 0.152 -7.093 1.673 489 1HG2 ILE 58 1HG2 ILE 58 0.897 -10.639 2.474 490 2HG2 ILE 58 2HG2 ILE 58 -0.494 -10.867 3.534 491 3HG2 ILE 58 3HG2 ILE 58 0.856 -9.856 4.053 492 1HD1 ILE 58 1HD1 ILE 58 2.250 -6.731 2.841 493 2HD1 ILE 58 2HD1 ILE 58 2.034 -8.248 3.716 494 3HD1 ILE 58 3HD1 ILE 58 0.914 -6.911 3.976 495 H SER 59 H SER 59 -3.624 -8.981 2.342 496 HA SER 59 HA SER 59 -4.137 -11.537 3.421 497 1HB SER 59 2HB SER 59 -6.136 -9.424 2.574 498 2HB SER 59 1HB SER 59 -6.459 -10.781 3.651 499 HG SER 59 HG SER 59 -4.512 -8.771 4.152 500 H GLN 60 H GLN 60 -4.961 -10.066 0.298 501 HA GLN 60 HA GLN 60 -6.418 -12.377 -0.590 502 1HB GLN 60 2HB GLN 60 -5.551 -9.821 -1.875 503 2HB GLN 60 1HB GLN 60 -6.068 -11.158 -2.889 504 1HG GLN 60 2HG GLN 60 -7.974 -9.850 -2.600 505 2HG GLN 60 1HG GLN 60 -8.185 -11.206 -1.498 506 1HE2 GLN 60 1HE2 GLN 60 -7.672 -7.813 -1.803 507 2HE2 GLN 60 2HE2 GLN 60 -7.939 -7.408 -0.146 508 H GLN 61 H GLN 61 -3.113 -11.293 -0.743 509 HA GLN 61 HA GLN 61 -2.359 -13.271 -2.726 510 1HB GLN 61 2HB GLN 61 -0.713 -11.357 -1.071 511 2HB GLN 61 1HB GLN 61 -0.044 -12.440 -2.282 512 1HG GLN 61 2HG GLN 61 -2.090 -10.306 -2.842 513 2HG GLN 61 1HG GLN 61 -0.354 -10.120 -3.073 514 1HE2 GLN 61 1HE2 GLN 61 -3.256 -11.642 -4.235 515 2HE2 GLN 61 2HE2 GLN 61 -2.613 -12.153 -5.755 516 H LYS 62 H LYS 62 -3.162 -13.496 0.411 517 HA LYS 62 HA LYS 62 -1.169 -15.288 1.395 518 1HB LYS 62 2HB LYS 62 -2.691 -14.039 2.889 519 2HB LYS 62 1HB LYS 62 -4.059 -14.921 2.227 520 1HG LYS 62 2HG LYS 62 -3.654 -16.026 4.211 521 2HG LYS 62 1HG LYS 62 -2.795 -17.027 3.039 522 1HD LYS 62 2HD LYS 62 -1.426 -16.686 5.010 523 2HD LYS 62 1HD LYS 62 -0.698 -15.869 3.624 524 1HE LYS 62 2HE LYS 62 -1.632 -13.746 4.374 525 2HE LYS 62 1HE LYS 62 -2.404 -14.555 5.736 526 1HZ LYS 62 1HZ LYS 62 -0.382 -13.479 6.428 527 2HZ LYS 62 2HZ LYS 62 0.517 -14.327 5.265 528 3HZ LYS 62 3HZ LYS 62 -0.201 -15.161 6.556 Start of MODEL 9 1 1H MET 1 1HT MET 1 -16.416 4.559 -16.107 2 2H MET 1 2HT MET 1 -16.662 3.099 -15.280 3 3H MET 1 3HT MET 1 -15.692 4.307 -14.597 4 HA MET 1 HA MET 1 -17.516 5.747 -14.272 5 1HB MET 1 2HB MET 1 -19.169 3.608 -15.633 6 2HB MET 1 1HB MET 1 -19.810 5.057 -14.873 7 1HG MET 1 2HG MET 1 -18.663 6.444 -16.490 8 2HG MET 1 1HG MET 1 -17.938 5.016 -17.227 9 1HE MET 1 1HE MET 1 -21.623 5.520 -15.873 10 2HE MET 1 2HE MET 1 -22.434 6.041 -17.350 11 3HE MET 1 3HE MET 1 -21.199 7.064 -16.614 12 H GLY 2 H GLY 2 -18.828 2.441 -14.170 13 1HA GLY 2 2HA GLY 2 -18.709 2.602 -11.221 14 2HA GLY 2 1HA GLY 2 -19.918 1.699 -12.123 15 H ASN 3 H ASN 3 -17.291 1.186 -13.838 16 HA ASN 3 HA ASN 3 -16.706 -1.394 -12.727 17 1HB ASN 3 2HB ASN 3 -15.123 -1.575 -14.624 18 2HB ASN 3 1HB ASN 3 -16.725 -1.079 -15.154 19 1HD2 ASN 3 1HD2 ASN 3 -14.191 -0.742 -16.506 20 2HD2 ASN 3 2HD2 ASN 3 -13.971 0.960 -16.733 21 H ILE 4 H ILE 4 -13.883 -1.473 -13.290 22 HA ILE 4 HA ILE 4 -12.789 -0.810 -10.836 23 HB ILE 4 HB ILE 4 -10.550 -0.966 -11.943 24 1HG1 ILE 4 2HG1 ILE 4 -12.185 -1.496 -14.436 25 2HG1 ILE 4 1HG1 ILE 4 -11.252 -0.033 -14.141 26 1HG2 ILE 4 1HG2 ILE 4 -10.775 -3.343 -12.530 27 2HG2 ILE 4 2HG2 ILE 4 -12.528 -3.158 -12.562 28 3HG2 ILE 4 3HG2 ILE 4 -11.646 -2.938 -11.051 29 1HD1 ILE 4 1HD1 ILE 4 -10.139 -2.817 -14.388 30 2HD1 ILE 4 2HD1 ILE 4 -9.201 -1.353 -14.091 31 3HD1 ILE 4 3HD1 ILE 4 -10.071 -1.550 -15.612 32 H ARG 5 H ARG 5 -12.132 1.003 -9.910 33 HA ARG 5 HA ARG 5 -11.441 3.337 -11.507 34 1HB ARG 5 2HB ARG 5 -13.979 3.248 -11.022 35 2HB ARG 5 1HB ARG 5 -13.541 3.584 -9.354 36 1HG ARG 5 2HG ARG 5 -12.528 5.681 -10.006 37 2HG ARG 5 1HG ARG 5 -12.845 5.331 -11.706 38 1HD ARG 5 2HD ARG 5 -14.557 6.809 -11.009 39 2HD ARG 5 1HD ARG 5 -15.293 5.211 -11.106 40 HE ARG 5 HE ARG 5 -14.391 6.386 -8.548 41 1HH1 ARG 5 1HH1 ARG 5 -16.819 4.735 -10.479 42 2HH1 ARG 5 2HH1 ARG 5 -17.943 4.589 -9.160 43 1HH2 ARG 5 1HH2 ARG 5 -15.881 6.196 -6.830 44 2HH2 ARG 5 2HH2 ARG 5 -17.415 5.430 -7.104 45 H THR 6 H THR 6 -10.323 4.946 -10.284 46 HA THR 6 HA THR 6 -8.860 5.713 -8.721 47 HB THR 6 HB THR 6 -10.115 3.840 -6.706 48 HG1 THR 6 1HG THR 6 -11.497 5.751 -6.295 49 1HG2 THR 6 1HG2 THR 6 -9.531 5.598 -5.116 50 2HG2 THR 6 2HG2 THR 6 -8.887 6.587 -6.426 51 3HG2 THR 6 3HG2 THR 6 -8.095 5.070 -5.996 52 H SER 7 H SER 7 -8.340 3.318 -10.360 53 HA SER 7 HA SER 7 -6.819 1.407 -8.970 54 1HB SER 7 2HB SER 7 -6.444 2.324 -11.827 55 2HB SER 7 1HB SER 7 -6.004 0.754 -11.151 56 HG SER 7 HG SER 7 -8.054 0.142 -11.147 57 H PHE 8 H PHE 8 -6.214 4.649 -9.447 58 HA PHE 8 HA PHE 8 -3.464 4.828 -9.848 59 1HB PHE 8 2HB PHE 8 -5.103 6.631 -8.056 60 2HB PHE 8 1HB PHE 8 -3.626 7.045 -8.920 61 HD1 PHE 8 1HD PHE 8 -7.169 7.056 -9.004 62 HD2 PHE 8 2HD PHE 8 -3.720 6.949 -11.489 63 HE1 PHE 8 1HE PHE 8 -8.520 7.842 -10.905 64 HE2 PHE 8 2HE PHE 8 -5.061 7.739 -13.391 65 HZ PHE 8 HZ PHE 8 -7.465 8.186 -13.103 66 H VAL 9 H VAL 9 -5.343 4.200 -6.945 67 HA VAL 9 HA VAL 9 -3.262 4.490 -5.057 68 HB VAL 9 HB VAL 9 -5.750 2.778 -4.877 69 1HG1 VAL 9 1HG1 VAL 9 -5.449 2.941 -2.452 70 2HG1 VAL 9 2HG1 VAL 9 -3.932 3.806 -2.701 71 3HG1 VAL 9 3HG1 VAL 9 -4.084 2.130 -3.223 72 1HG2 VAL 9 1HG2 VAL 9 -5.253 5.607 -3.951 73 2HG2 VAL 9 2HG2 VAL 9 -6.722 4.674 -3.671 74 3HG2 VAL 9 3HG2 VAL 9 -6.263 5.124 -5.312 75 H LYS 10 H LYS 10 -4.398 1.773 -6.981 76 HA LYS 10 HA LYS 10 -2.927 -0.267 -5.756 77 1HB LYS 10 2HB LYS 10 -4.704 -0.741 -7.349 78 2HB LYS 10 1HB LYS 10 -3.790 0.031 -8.639 79 1HG LYS 10 2HG LYS 10 -2.024 -1.705 -8.333 80 2HG LYS 10 1HG LYS 10 -3.100 -2.518 -7.191 81 1HD LYS 10 2HD LYS 10 -4.768 -2.805 -8.923 82 2HD LYS 10 1HD LYS 10 -3.776 -1.901 -10.067 83 1HE LYS 10 2HE LYS 10 -3.562 -4.286 -10.462 84 2HE LYS 10 1HE LYS 10 -2.034 -3.614 -9.897 85 1HZ LYS 10 1HZ LYS 10 -2.780 -5.789 -8.881 86 2HZ LYS 10 2HZ LYS 10 -3.949 -4.892 -8.040 87 3HZ LYS 10 3HZ LYS 10 -2.302 -4.572 -7.804 88 H ARG 11 H ARG 11 -2.108 1.863 -8.490 89 HA ARG 11 HA ARG 11 0.429 0.721 -8.988 90 1HB ARG 11 2HB ARG 11 -0.880 2.272 -10.529 91 2HB ARG 11 1HB ARG 11 -0.302 3.602 -9.532 92 1HG ARG 11 2HG ARG 11 2.031 2.844 -10.015 93 2HG ARG 11 1HG ARG 11 1.354 1.695 -11.167 94 1HD ARG 11 2HD ARG 11 1.164 4.699 -11.254 95 2HD ARG 11 1HD ARG 11 2.079 3.660 -12.344 96 HE ARG 11 HE ARG 11 -0.835 3.999 -12.285 97 1HH1 ARG 11 1HH1 ARG 11 2.013 2.624 -13.801 98 2HH1 ARG 11 2HH1 ARG 11 1.195 2.271 -15.293 99 1HH2 ARG 11 1HH2 ARG 11 -1.901 3.553 -14.258 100 2HH2 ARG 11 2HH2 ARG 11 -1.016 2.810 -15.564 101 H ILE 12 H ILE 12 -0.605 3.435 -6.964 102 HA ILE 12 HA ILE 12 1.962 4.284 -6.178 103 HB ILE 12 HB ILE 12 -0.665 4.536 -4.696 104 1HG1 ILE 12 2HG1 ILE 12 0.834 6.503 -6.443 105 2HG1 ILE 12 1HG1 ILE 12 -0.612 5.619 -6.920 106 1HG2 ILE 12 1HG2 ILE 12 1.954 5.964 -4.234 107 2HG2 ILE 12 2HG2 ILE 12 1.195 4.793 -3.154 108 3HG2 ILE 12 3HG2 ILE 12 0.423 6.351 -3.446 109 1HD1 ILE 12 1HD1 ILE 12 -1.888 6.774 -5.180 110 2HD1 ILE 12 2HD1 ILE 12 -1.138 7.910 -6.300 111 3HD1 ILE 12 3HD1 ILE 12 -0.436 7.653 -4.703 112 H ALA 13 H ALA 13 -0.299 1.979 -4.710 113 HA ALA 13 HA ALA 13 1.259 1.397 -2.429 114 1HB ALA 13 1HB ALA 13 -0.162 -0.579 -2.194 115 2HB ALA 13 2HB ALA 13 -0.769 -0.339 -3.832 116 3HB ALA 13 3HB ALA 13 -1.117 0.852 -2.581 117 H LYS 14 H LYS 14 1.046 -0.144 -5.613 118 HA LYS 14 HA LYS 14 2.739 -2.316 -5.139 119 1HB LYS 14 2HB LYS 14 1.292 -2.024 -7.140 120 2HB LYS 14 1HB LYS 14 2.388 -0.778 -7.721 121 1HG LYS 14 2HG LYS 14 4.186 -2.427 -7.853 122 2HG LYS 14 1HG LYS 14 3.076 -3.673 -7.277 123 1HD LYS 14 2HD LYS 14 1.631 -3.210 -9.247 124 2HD LYS 14 1HD LYS 14 2.873 -2.104 -9.841 125 1HE LYS 14 2HE LYS 14 3.082 -4.293 -10.892 126 2HE LYS 14 1HE LYS 14 4.489 -3.930 -9.893 127 1HZ LYS 14 1HZ LYS 14 3.774 -6.195 -9.545 128 2HZ LYS 14 2HZ LYS 14 2.212 -5.679 -9.133 129 3HZ LYS 14 3HZ LYS 14 3.516 -5.299 -8.128 130 H GLU 15 H GLU 15 3.482 0.892 -6.449 131 HA GLU 15 HA GLU 15 6.267 0.446 -6.710 132 1HB GLU 15 2HB GLU 15 4.982 2.138 -7.977 133 2HB GLU 15 1HB GLU 15 4.744 3.050 -6.496 134 1HG GLU 15 2HG GLU 15 7.001 3.649 -6.372 135 2HG GLU 15 1HG GLU 15 7.479 2.422 -7.545 136 H MET 16 H MET 16 4.235 1.466 -4.095 137 HA MET 16 HA MET 16 6.249 2.535 -2.394 138 1HB MET 16 2HB MET 16 3.781 2.927 -2.163 139 2HB MET 16 1HB MET 16 3.617 1.265 -1.617 140 1HG MET 16 2HG MET 16 3.637 2.505 0.342 141 2HG MET 16 1HG MET 16 5.285 1.896 0.211 142 1HE MET 16 1HE MET 16 3.691 4.806 -1.901 143 2HE MET 16 2HE MET 16 4.067 6.208 -0.901 144 3HE MET 16 3HE MET 16 2.928 4.993 -0.322 145 H ILE 17 H ILE 17 4.883 -0.671 -2.888 146 HA ILE 17 HA ILE 17 6.081 -1.829 -0.565 147 HB ILE 17 HB ILE 17 4.758 -3.081 -2.971 148 1HG1 ILE 17 2HG1 ILE 17 3.797 -2.741 -0.121 149 2HG1 ILE 17 1HG1 ILE 17 3.320 -1.722 -1.473 150 1HG2 ILE 17 1HG2 ILE 17 4.694 -5.173 -1.707 151 2HG2 ILE 17 2HG2 ILE 17 5.654 -4.431 -0.427 152 3HG2 ILE 17 3HG2 ILE 17 6.352 -4.663 -2.029 153 1HD1 ILE 17 1HD1 ILE 17 2.286 -3.638 -2.565 154 2HD1 ILE 17 2HD1 ILE 17 1.616 -3.374 -0.954 155 3HD1 ILE 17 3HD1 ILE 17 2.779 -4.670 -1.222 156 H GLU 18 H GLU 18 6.916 -1.756 -4.002 157 HA GLU 18 HA GLU 18 8.702 -3.937 -3.927 158 1HB GLU 18 2HB GLU 18 9.354 -3.304 -6.146 159 2HB GLU 18 1HB GLU 18 7.618 -3.073 -5.978 160 1HG GLU 18 2HG GLU 18 7.862 -0.720 -5.831 161 2HG GLU 18 1HG GLU 18 9.613 -0.850 -5.676 162 H THR 19 H THR 19 9.146 -0.857 -2.642 163 HA THR 19 HA THR 19 11.942 -0.630 -3.288 164 HB THR 19 HB THR 19 10.527 1.378 -2.949 165 HG1 THR 19 1HG THR 19 12.227 2.457 -2.199 166 1HG2 THR 19 1HG2 THR 19 9.977 2.093 -0.675 167 2HG2 THR 19 2HG2 THR 19 10.583 0.561 -0.043 168 3HG2 THR 19 3HG2 THR 19 9.160 0.587 -1.088 169 H HIS 20 H HIS 20 10.059 -2.039 -0.718 170 HA HIS 20 HA HIS 20 12.571 -2.762 0.627 171 1HB HIS 20 2HB HIS 20 10.192 -1.436 1.800 172 2HB HIS 20 1HB HIS 20 10.910 -2.733 2.746 173 HD1 HIS 20 1HD HIS 20 11.723 -1.103 4.560 174 HD2 HIS 20 2HD HIS 20 13.273 -0.312 0.785 175 HE1 HIS 20 1HE HIS 20 13.572 0.558 4.924 176 HE2 HIS 20 2HE HIS 20 14.287 1.231 2.604 177 HA PRO 21 HA PRO 21 10.352 -6.671 0.075 178 1HB PRO 21 2HB PRO 21 12.417 -8.085 -0.839 179 2HB PRO 21 1HB PRO 21 11.620 -6.890 -1.869 180 1HG PRO 21 2HG PRO 21 14.228 -6.726 -0.439 181 2HG PRO 21 1HG PRO 21 13.755 -6.040 -2.003 182 1HD PRO 21 2HD PRO 21 13.832 -4.696 0.477 183 2HD PRO 21 1HD PRO 21 13.115 -4.098 -1.031 184 H GLY 22 H GLY 22 11.238 -5.709 2.629 185 1HA GLY 22 2HA GLY 22 13.186 -7.505 3.738 186 2HA GLY 22 1HA GLY 22 12.273 -6.287 4.609 187 H LYS 23 H LYS 23 9.710 -7.012 4.396 188 HA LYS 23 HA LYS 23 9.702 -9.672 5.669 189 1HB LYS 23 2HB LYS 23 8.032 -7.255 6.386 190 2HB LYS 23 1HB LYS 23 7.892 -8.841 7.129 191 1HG LYS 23 2HG LYS 23 10.209 -8.620 7.947 192 2HG LYS 23 1HG LYS 23 10.264 -6.993 7.265 193 1HD LYS 23 2HD LYS 23 9.744 -6.781 9.588 194 2HD LYS 23 1HD LYS 23 8.275 -6.425 8.680 195 1HE LYS 23 2HE LYS 23 7.557 -8.784 9.060 196 2HE LYS 23 1HE LYS 23 8.960 -8.994 10.104 197 1HZ LYS 23 1HZ LYS 23 7.320 -8.466 11.598 198 2HZ LYS 23 2HZ LYS 23 6.532 -7.397 10.555 199 3HZ LYS 23 3HZ LYS 23 7.976 -6.925 11.309 200 H PHE 24 H PHE 24 7.736 -10.893 5.511 201 HA PHE 24 HA PHE 24 5.705 -9.954 3.653 202 1HB PHE 24 2HB PHE 24 7.327 -11.129 2.214 203 2HB PHE 24 1HB PHE 24 7.185 -12.562 3.225 204 HD1 PHE 24 1HD PHE 24 5.783 -14.237 2.519 205 HD2 PHE 24 2HD PHE 24 4.995 -10.235 1.291 206 HE1 PHE 24 1HE PHE 24 3.910 -15.032 1.136 207 HE2 PHE 24 2HE PHE 24 3.122 -11.027 -0.094 208 HZ PHE 24 HZ PHE 24 2.578 -13.426 -0.175 209 H THR 25 H THR 25 4.388 -9.898 5.490 210 HA THR 25 HA THR 25 3.093 -12.414 6.093 211 HB THR 25 HB THR 25 4.144 -10.759 8.410 212 HG1 THR 25 1HG THR 25 5.398 -12.697 6.909 213 1HG2 THR 25 1HG2 THR 25 2.927 -13.524 8.288 214 2HG2 THR 25 2HG2 THR 25 2.150 -12.069 8.915 215 3HG2 THR 25 3HG2 THR 25 3.554 -12.744 9.741 216 H ASP 26 H ASP 26 1.019 -11.990 7.318 217 HA ASP 26 HA ASP 26 -0.213 -9.532 6.470 218 1HB ASP 26 2HB ASP 26 -2.226 -10.431 7.656 219 2HB ASP 26 1HB ASP 26 -1.567 -11.523 6.447 220 H ASP 27 H ASP 27 1.984 -9.231 8.259 221 HA ASP 27 HA ASP 27 0.799 -8.388 10.794 222 1HB ASP 27 2HB ASP 27 2.613 -9.569 11.465 223 2HB ASP 27 1HB ASP 27 3.433 -9.378 9.922 224 H PHE 28 H PHE 28 1.071 -6.293 11.592 225 HA PHE 28 HA PHE 28 0.969 -4.307 9.532 226 1HB PHE 28 2HB PHE 28 0.694 -4.167 12.526 227 2HB PHE 28 1HB PHE 28 0.637 -2.733 11.505 228 HD1 PHE 28 1HD PHE 28 -1.213 -2.366 9.974 229 HD2 PHE 28 2HD PHE 28 -1.114 -5.756 12.544 230 HE1 PHE 28 1HE PHE 28 -3.606 -2.746 9.554 231 HE2 PHE 28 2HE PHE 28 -3.507 -6.144 12.128 232 HZ PHE 28 HZ PHE 28 -4.757 -4.639 10.631 233 H ASP 29 H ASP 29 3.419 -5.375 11.763 234 HA ASP 29 HA ASP 29 5.093 -3.086 11.579 235 1HB ASP 29 2HB ASP 29 5.473 -4.769 13.300 236 2HB ASP 29 1HB ASP 29 5.803 -5.988 12.074 237 H THR 30 H THR 30 4.595 -5.910 9.614 238 HA THR 30 HA THR 30 6.719 -5.806 7.850 239 HB THR 30 HB THR 30 3.845 -6.581 7.310 240 HG1 THR 30 1HG THR 30 4.940 -7.786 8.965 241 1HG2 THR 30 1HG2 THR 30 5.035 -6.171 5.208 242 2HG2 THR 30 2HG2 THR 30 4.720 -7.892 5.432 243 3HG2 THR 30 3HG2 THR 30 6.334 -7.244 5.725 244 H ASN 31 H ASN 31 3.487 -4.332 7.317 245 HA ASN 31 HA ASN 31 4.303 -2.996 4.959 246 1HB ASN 31 2HB ASN 31 2.200 -1.723 5.148 247 2HB ASN 31 1HB ASN 31 1.942 -3.450 5.367 248 1HD2 ASN 31 1HD2 ASN 31 1.978 -0.337 6.914 249 2HD2 ASN 31 2HD2 ASN 31 1.164 -0.826 8.356 250 H LYS 32 H LYS 32 4.474 -2.169 8.330 251 HA LYS 32 HA LYS 32 4.896 0.605 8.063 252 1HB LYS 32 2HB LYS 32 4.375 -0.519 10.202 253 2HB LYS 32 1HB LYS 32 5.964 -1.270 10.184 254 1HG LYS 32 2HG LYS 32 6.992 0.966 10.266 255 2HG LYS 32 1HG LYS 32 5.383 1.679 10.366 256 1HD LYS 32 2HD LYS 32 6.352 1.517 12.577 257 2HD LYS 32 1HD LYS 32 4.980 0.415 12.444 258 1HE LYS 32 2HE LYS 32 6.543 -1.434 12.002 259 2HE LYS 32 1HE LYS 32 7.895 -0.321 12.207 260 1HZ LYS 32 1HZ LYS 32 7.112 0.088 14.487 261 2HZ LYS 32 2HZ LYS 32 7.548 -1.527 14.224 262 3HZ LYS 32 3HZ LYS 32 5.910 -1.091 14.275 263 H LYS 33 H LYS 33 7.125 -2.145 8.084 264 HA LYS 33 HA LYS 33 9.512 -0.641 7.907 265 1HB LYS 33 2HB LYS 33 8.913 -3.470 7.018 266 2HB LYS 33 1HB LYS 33 10.525 -2.772 7.099 267 1HG LYS 33 2HG LYS 33 8.652 -3.165 9.426 268 2HG LYS 33 1HG LYS 33 10.056 -4.161 9.038 269 1HD LYS 33 2HD LYS 33 11.524 -2.243 9.357 270 2HD LYS 33 1HD LYS 33 10.129 -1.215 9.699 271 1HE LYS 33 2HE LYS 33 9.604 -2.595 11.653 272 2HE LYS 33 1HE LYS 33 11.003 -3.612 11.308 273 1HZ LYS 33 1HZ LYS 33 11.097 -0.715 11.959 274 2HZ LYS 33 2HZ LYS 33 12.441 -1.704 11.647 275 3HZ LYS 33 3HZ LYS 33 11.489 -1.976 13.023 276 H LEU 34 H LEU 34 7.247 -1.811 5.514 277 HA LEU 34 HA LEU 34 8.859 -1.207 3.243 278 1HB LEU 34 2HB LEU 34 5.974 -1.865 3.682 279 2HB LEU 34 1HB LEU 34 6.477 -1.229 2.130 280 HG LEU 34 HG LEU 34 7.922 -3.120 1.741 281 1HD1 LEU 34 1HD1 LEU 34 7.128 -4.104 4.477 282 2HD1 LEU 34 2HD1 LEU 34 8.712 -3.465 4.036 283 3HD1 LEU 34 3HD1 LEU 34 8.129 -4.964 3.309 284 1HD2 LEU 34 1HD2 LEU 34 5.249 -4.020 2.800 285 2HD2 LEU 34 2HD2 LEU 34 6.280 -4.919 1.687 286 3HD2 LEU 34 3HD2 LEU 34 5.565 -3.385 1.184 287 H VAL 35 H VAL 35 6.289 0.497 4.966 288 HA VAL 35 HA VAL 35 6.257 2.754 3.221 289 HB VAL 35 HB VAL 35 5.175 2.396 6.023 290 1HG1 VAL 35 1HG1 VAL 35 5.556 4.766 5.596 291 2HG1 VAL 35 2HG1 VAL 35 3.829 4.400 5.602 292 3HG1 VAL 35 3HG1 VAL 35 4.675 4.641 4.072 293 1HG2 VAL 35 1HG2 VAL 35 3.006 2.224 4.870 294 2HG2 VAL 35 2HG2 VAL 35 4.125 0.951 4.383 295 3HG2 VAL 35 3HG2 VAL 35 3.841 2.328 3.319 296 H GLU 36 H GLU 36 8.273 1.796 5.820 297 HA GLU 36 HA GLU 36 9.176 4.196 6.881 298 1HB GLU 36 2HB GLU 36 9.754 1.822 7.593 299 2HB GLU 36 1HB GLU 36 10.941 1.811 6.300 300 1HG GLU 36 2HG GLU 36 10.952 3.871 8.481 301 2HG GLU 36 1HG GLU 36 11.769 2.320 8.640 302 H GLU 37 H GLU 37 10.101 2.559 3.898 303 HA GLU 37 HA GLU 37 12.186 4.421 3.248 304 1HB GLU 37 2HB GLU 37 12.084 2.028 2.477 305 2HB GLU 37 1HB GLU 37 10.766 2.488 1.411 306 1HG GLU 37 2HG GLU 37 12.760 2.417 0.128 307 2HG GLU 37 1HG GLU 37 12.295 4.105 0.312 308 H PHE 38 H PHE 38 8.820 4.022 2.537 309 HA PHE 38 HA PHE 38 7.285 5.064 1.295 310 1HB PHE 38 2HB PHE 38 7.016 7.458 1.677 311 2HB PHE 38 1HB PHE 38 7.369 6.589 3.158 312 HD1 PHE 38 1HD PHE 38 8.626 9.017 0.710 313 HD2 PHE 38 2HD PHE 38 9.380 7.030 4.398 314 HE1 PHE 38 1HE PHE 38 10.389 10.656 1.227 315 HE2 PHE 38 2HE PHE 38 11.149 8.657 4.912 316 HZ PHE 38 HZ PHE 38 11.654 10.473 3.332 317 H SER 39 H SER 39 7.058 4.966 -0.750 318 HA SER 39 HA SER 39 9.062 5.739 -2.619 319 1HB SER 39 2HB SER 39 7.491 3.913 -3.100 320 2HB SER 39 1HB SER 39 6.141 5.045 -3.057 321 HG SER 39 HG SER 39 8.325 5.125 -4.883 322 H THR 40 H THR 40 6.294 7.296 -1.203 323 HA THR 40 HA THR 40 7.036 9.802 -2.427 324 HB THR 40 HB THR 40 5.519 8.798 -4.116 325 HG1 THR 40 1HG THR 40 5.200 10.891 -4.325 326 1HG2 THR 40 1HG2 THR 40 4.130 7.445 -2.634 327 2HG2 THR 40 2HG2 THR 40 3.135 8.530 -3.604 328 3HG2 THR 40 3HG2 THR 40 3.457 8.906 -1.911 329 H VAL 41 H VAL 41 4.806 11.281 -1.770 330 HA VAL 41 HA VAL 41 5.298 11.754 0.976 331 HB VAL 41 HB VAL 41 3.533 13.469 0.802 332 1HG1 VAL 41 1HG1 VAL 41 5.470 13.422 -1.506 333 2HG1 VAL 41 2HG1 VAL 41 5.801 14.008 0.123 334 3HG1 VAL 41 3HG1 VAL 41 4.634 14.851 -0.896 335 1HG2 VAL 41 1HG2 VAL 41 2.457 13.873 -1.382 336 2HG2 VAL 41 2HG2 VAL 41 1.977 12.335 -0.663 337 3HG2 VAL 41 3HG2 VAL 41 3.151 12.362 -1.976 338 H SER 42 H SER 42 3.184 12.287 2.364 339 HA SER 42 HA SER 42 2.036 9.637 2.797 340 1HB SER 42 2HB SER 42 2.057 12.052 4.625 341 2HB SER 42 1HB SER 42 1.588 10.408 5.061 342 HG SER 42 HG SER 42 4.025 11.510 5.060 343 H THR 43 H THR 43 1.031 13.038 2.674 344 HA THR 43 HA THR 43 -0.965 14.053 2.439 345 HB THR 43 HB THR 43 -1.990 11.396 1.425 346 HG1 THR 43 1HG THR 43 -0.480 11.989 -0.021 347 1HG2 THR 43 1HG2 THR 43 -3.800 12.908 2.084 348 2HG2 THR 43 2HG2 THR 43 -3.728 12.739 0.329 349 3HG2 THR 43 3HG2 THR 43 -3.091 14.190 1.103 350 H LYS 44 H LYS 44 -2.673 14.518 3.713 351 HA LYS 44 HA LYS 44 -2.371 14.215 6.320 352 1HB LYS 44 2HB LYS 44 -5.108 14.424 5.079 353 2HB LYS 44 1HB LYS 44 -4.612 15.016 6.658 354 1HG LYS 44 2HG LYS 44 -3.525 16.012 4.031 355 2HG LYS 44 1HG LYS 44 -4.799 16.795 4.963 356 1HD LYS 44 2HD LYS 44 -2.059 16.231 6.077 357 2HD LYS 44 1HD LYS 44 -2.473 17.738 5.254 358 1HE LYS 44 2HE LYS 44 -3.867 16.646 7.695 359 2HE LYS 44 1HE LYS 44 -2.638 17.911 7.709 360 1HZ LYS 44 1HZ LYS 44 -4.922 18.784 7.788 361 2HZ LYS 44 2HZ LYS 44 -5.232 18.097 6.271 362 3HZ LYS 44 3HZ LYS 44 -4.076 19.323 6.421 363 H HIS 45 H HIS 45 -4.903 12.240 4.693 364 HA HIS 45 HA HIS 45 -4.632 10.351 6.950 365 1HB HIS 45 2HB HIS 45 -7.084 11.360 5.545 366 2HB HIS 45 1HB HIS 45 -7.099 9.793 6.344 367 HD1 HIS 45 1HD HIS 45 -7.385 13.398 6.988 368 HD2 HIS 45 2HD HIS 45 -6.692 9.936 9.185 369 HE1 HIS 45 1HE HIS 45 -7.771 14.030 9.389 370 HE2 HIS 45 2HE HIS 45 -7.618 11.855 10.652 371 H LEU 46 H LEU 46 -3.497 10.480 4.095 372 HA LEU 46 HA LEU 46 -4.731 8.112 2.926 373 1HB LEU 46 2HB LEU 46 -4.143 10.083 1.524 374 2HB LEU 46 1HB LEU 46 -2.454 9.776 1.874 375 HG LEU 46 HG LEU 46 -2.635 7.577 0.757 376 1HD1 LEU 46 1HD1 LEU 46 -4.599 7.074 -0.602 377 2HD1 LEU 46 2HD1 LEU 46 -5.407 8.510 0.027 378 3HD1 LEU 46 3HD1 LEU 46 -5.014 7.174 1.111 379 1HD2 LEU 46 1HD2 LEU 46 -1.827 9.496 -0.484 380 2HD2 LEU 46 2HD2 LEU 46 -3.479 9.949 -0.897 381 3HD2 LEU 46 3HD2 LEU 46 -2.792 8.454 -1.533 382 H ARG 47 H ARG 47 -1.756 9.099 4.485 383 HA ARG 47 HA ARG 47 -0.078 7.006 3.782 384 1HB ARG 47 2HB ARG 47 0.732 8.959 4.985 385 2HB ARG 47 1HB ARG 47 -0.217 8.516 6.398 386 1HG ARG 47 2HG ARG 47 2.084 7.937 6.766 387 2HG ARG 47 1HG ARG 47 1.128 6.461 6.628 388 1HD ARG 47 2HD ARG 47 3.045 6.032 5.364 389 2HD ARG 47 1HD ARG 47 1.826 6.462 4.168 390 HE ARG 47 HE ARG 47 3.349 8.731 4.995 391 1HH1 ARG 47 1HH1 ARG 47 3.402 5.935 2.889 392 2HH1 ARG 47 2HH1 ARG 47 4.572 6.611 1.808 393 1HH2 ARG 47 1HH2 ARG 47 4.897 9.623 3.595 394 2HH2 ARG 47 2HH2 ARG 47 5.419 8.728 2.197 395 H ASN 48 H ASN 48 -2.346 7.176 6.517 396 HA ASN 48 HA ASN 48 -1.702 4.600 7.523 397 1HB ASN 48 2HB ASN 48 -4.151 6.322 7.962 398 2HB ASN 48 1HB ASN 48 -3.803 4.843 8.852 399 1HD2 ASN 48 1HD2 ASN 48 -4.093 7.606 9.797 400 2HD2 ASN 48 2HD2 ASN 48 -2.608 7.973 10.614 401 H LYS 49 H LYS 49 -3.977 5.785 5.165 402 HA LYS 49 HA LYS 49 -5.572 3.439 4.982 403 1HB LYS 49 2HB LYS 49 -5.636 6.018 3.912 404 2HB LYS 49 1HB LYS 49 -5.415 4.971 2.517 405 1HG LYS 49 2HG LYS 49 -7.620 4.758 4.556 406 2HG LYS 49 1HG LYS 49 -7.768 5.417 2.927 407 1HD LYS 49 2HD LYS 49 -7.132 3.211 2.012 408 2HD LYS 49 1HD LYS 49 -7.073 2.570 3.656 409 1HE LYS 49 2HE LYS 49 -9.494 3.725 2.278 410 2HE LYS 49 1HE LYS 49 -9.187 2.015 2.573 411 1HZ LYS 49 1HZ LYS 49 -9.535 4.090 4.669 412 2HZ LYS 49 2HZ LYS 49 -9.273 2.435 4.946 413 3HZ LYS 49 3HZ LYS 49 -10.706 2.958 4.201 414 H ILE 50 H ILE 50 -2.808 4.681 3.148 415 HA ILE 50 HA ILE 50 -2.635 2.632 1.239 416 HB ILE 50 HB ILE 50 -0.436 4.341 2.419 417 1HG1 ILE 50 2HG1 ILE 50 -2.172 5.633 1.290 418 2HG1 ILE 50 1HG1 ILE 50 -0.690 5.650 0.340 419 1HG2 ILE 50 1HG2 ILE 50 0.853 3.759 0.395 420 2HG2 ILE 50 2HG2 ILE 50 -0.396 2.590 -0.036 421 3HG2 ILE 50 3HG2 ILE 50 0.550 2.367 1.436 422 1HD1 ILE 50 1HD1 ILE 50 -2.631 5.393 -1.083 423 2HD1 ILE 50 2HD1 ILE 50 -3.121 3.955 -0.186 424 3HD1 ILE 50 3HD1 ILE 50 -1.635 3.939 -1.135 425 H ALA 51 H ALA 51 -1.088 2.963 4.415 426 HA ALA 51 HA ALA 51 0.417 0.611 4.388 427 1HB ALA 51 1HB ALA 51 0.707 2.342 6.078 428 2HB ALA 51 2HB ALA 51 0.398 0.780 6.836 429 3HB ALA 51 3HB ALA 51 -0.888 1.983 6.739 430 H GLY 52 H GLY 52 -2.896 1.193 5.510 431 1HA GLY 52 2HA GLY 52 -3.465 -1.440 6.323 432 2HA GLY 52 1HA GLY 52 -4.656 -0.236 5.850 433 H TYR 53 H TYR 53 -3.902 0.190 3.211 434 HA TYR 53 HA TYR 53 -5.255 -1.845 1.870 435 1HB TYR 53 2HB TYR 53 -4.965 0.461 1.008 436 2HB TYR 53 1HB TYR 53 -3.267 0.115 0.704 437 HD1 TYR 53 1HD TYR 53 -2.653 -0.569 -1.427 438 HD2 TYR 53 2HD TYR 53 -6.659 -1.213 -0.147 439 HE1 TYR 53 1HE TYR 53 -3.228 -1.400 -3.672 440 HE2 TYR 53 2HE TYR 53 -7.247 -2.052 -2.386 441 HH TYR 53 HH TYR 53 -4.963 -2.919 -4.689 442 H ILE 54 H ILE 54 -1.788 -1.315 2.318 443 HA ILE 54 HA ILE 54 -0.792 -3.355 0.708 444 HB ILE 54 HB ILE 54 0.297 -2.351 3.342 445 1HG1 ILE 54 2HG1 ILE 54 1.014 -1.636 0.493 446 2HG1 ILE 54 1HG1 ILE 54 0.065 -0.631 1.583 447 1HG2 ILE 54 1HG2 ILE 54 2.445 -3.289 2.625 448 2HG2 ILE 54 2HG2 ILE 54 1.666 -3.985 1.206 449 3HG2 ILE 54 3HG2 ILE 54 1.222 -4.544 2.818 450 1HD1 ILE 54 1HD1 ILE 54 2.331 0.173 1.475 451 2HD1 ILE 54 2HD1 ILE 54 2.950 -1.418 1.922 452 3HD1 ILE 54 3HD1 ILE 54 2.011 -0.480 3.082 453 H THR 55 H THR 55 -1.575 -3.506 4.209 454 HA THR 55 HA THR 55 -1.073 -6.260 4.460 455 HB THR 55 HB THR 55 -2.795 -5.988 6.443 456 HG1 THR 55 1HG THR 55 -3.297 -3.778 5.439 457 1HG2 THR 55 1HG2 THR 55 -0.108 -4.619 6.352 458 2HG2 THR 55 2HG2 THR 55 -0.397 -6.325 6.696 459 3HG2 THR 55 3HG2 THR 55 -0.968 -5.091 7.818 460 H ARG 56 H ARG 56 -3.984 -4.523 3.491 461 HA ARG 56 HA ARG 56 -5.789 -6.676 3.716 462 1HB ARG 56 2HB ARG 56 -5.891 -4.356 1.777 463 2HB ARG 56 1HB ARG 56 -7.226 -5.432 2.153 464 1HG ARG 56 2HG ARG 56 -5.892 -3.485 4.017 465 2HG ARG 56 1HG ARG 56 -7.512 -3.367 3.333 466 1HD ARG 56 2HD ARG 56 -6.523 -5.431 5.299 467 2HD ARG 56 1HD ARG 56 -7.639 -4.110 5.633 468 HE ARG 56 HE ARG 56 -8.252 -6.649 4.447 469 1HH1 ARG 56 1HH1 ARG 56 -9.240 -3.296 4.665 470 2HH1 ARG 56 2HH1 ARG 56 -10.905 -3.623 4.275 471 1HH2 ARG 56 1HH2 ARG 56 -10.426 -7.091 3.934 472 2HH2 ARG 56 2HH2 ARG 56 -11.579 -5.793 3.850 473 H ILE 57 H ILE 57 -3.731 -5.578 1.050 474 HA ILE 57 HA ILE 57 -4.588 -7.382 -0.916 475 HB ILE 57 HB ILE 57 -1.804 -6.273 -0.490 476 1HG1 ILE 57 2HG1 ILE 57 -4.041 -5.298 -2.284 477 2HG1 ILE 57 1HG1 ILE 57 -3.562 -4.548 -0.765 478 1HG2 ILE 57 1HG2 ILE 57 -1.441 -6.760 -2.867 479 2HG2 ILE 57 2HG2 ILE 57 -3.032 -7.518 -2.951 480 3HG2 ILE 57 3HG2 ILE 57 -1.769 -8.229 -1.945 481 1HD1 ILE 57 1HD1 ILE 57 -2.655 -3.349 -2.667 482 2HD1 ILE 57 2HD1 ILE 57 -1.839 -4.813 -3.217 483 3HD1 ILE 57 3HD1 ILE 57 -1.365 -4.056 -1.696 484 H ILE 58 H ILE 58 -2.055 -7.699 1.548 485 HA ILE 58 HA ILE 58 -1.070 -10.205 0.802 486 HB ILE 58 HB ILE 58 -1.257 -9.058 3.592 487 1HG1 ILE 58 2HG1 ILE 58 0.982 -8.898 1.563 488 2HG1 ILE 58 1HG1 ILE 58 -0.127 -7.584 1.941 489 1HG2 ILE 58 1HG2 ILE 58 -0.781 -11.452 3.597 490 2HG2 ILE 58 2HG2 ILE 58 0.631 -10.527 4.103 491 3HG2 ILE 58 3HG2 ILE 58 0.555 -11.198 2.474 492 1HD1 ILE 58 1HD1 ILE 58 1.841 -8.855 3.828 493 2HD1 ILE 58 2HD1 ILE 58 0.707 -7.569 4.245 494 3HD1 ILE 58 3HD1 ILE 58 1.985 -7.271 3.066 495 H SER 59 H SER 59 -3.616 -9.392 3.151 496 HA SER 59 HA SER 59 -4.262 -12.054 3.819 497 1HB SER 59 2HB SER 59 -6.025 -9.597 3.973 498 2HB SER 59 1HB SER 59 -6.255 -11.107 4.859 499 HG SER 59 HG SER 59 -4.897 -9.045 5.666 500 H GLN 60 H GLN 60 -5.430 -9.900 1.284 501 HA GLN 60 HA GLN 60 -7.708 -11.474 0.617 502 1HB GLN 60 2HB GLN 60 -7.398 -9.012 0.151 503 2HB GLN 60 1HB GLN 60 -6.313 -9.465 -1.154 504 1HG GLN 60 2HG GLN 60 -8.545 -8.958 -1.977 505 2HG GLN 60 1HG GLN 60 -8.116 -10.642 -2.276 506 1HE2 GLN 60 1HE2 GLN 60 -10.285 -11.206 -2.469 507 2HE2 GLN 60 2HE2 GLN 60 -11.315 -11.352 -1.080 508 H GLN 61 H GLN 61 -4.364 -11.580 -0.302 509 HA GLN 61 HA GLN 61 -4.711 -13.105 -2.691 510 1HB GLN 61 2HB GLN 61 -2.307 -12.729 -0.903 511 2HB GLN 61 1HB GLN 61 -2.268 -13.607 -2.424 512 1HG GLN 61 2HG GLN 61 -2.943 -11.579 -3.609 513 2HG GLN 61 1HG GLN 61 -2.969 -10.700 -2.079 514 1HE2 GLN 61 1HE2 GLN 61 -1.031 -10.237 -1.046 515 2HE2 GLN 61 2HE2 GLN 61 0.492 -10.314 -1.862 516 H LYS 62 H LYS 62 -4.851 -13.876 0.634 517 HA LYS 62 HA LYS 62 -4.331 -16.705 0.128 518 1HB LYS 62 2HB LYS 62 -3.341 -15.586 2.139 519 2HB LYS 62 1HB LYS 62 -4.972 -15.348 2.753 520 1HG LYS 62 2HG LYS 62 -5.314 -17.746 2.846 521 2HG LYS 62 1HG LYS 62 -3.712 -18.018 2.161 522 1HD LYS 62 2HD LYS 62 -3.620 -18.337 4.549 523 2HD LYS 62 1HD LYS 62 -2.725 -16.876 4.121 524 1HE LYS 62 2HE LYS 62 -4.656 -15.512 4.760 525 2HE LYS 62 1HE LYS 62 -5.543 -16.974 5.194 526 1HZ LYS 62 1HZ LYS 62 -3.006 -16.875 6.492 527 2HZ LYS 62 2HZ LYS 62 -4.560 -17.024 7.166 528 3HZ LYS 62 3HZ LYS 62 -3.921 -15.489 6.833 Start of MODEL 10 1 1H MET 1 1HT MET 1 -19.539 1.835 -15.433 2 2H MET 1 2HT MET 1 -19.485 0.781 -14.103 3 3H MET 1 3HT MET 1 -18.821 0.307 -15.590 4 HA MET 1 HA MET 1 -17.157 2.045 -15.428 5 1HB MET 1 2HB MET 1 -18.408 2.486 -12.706 6 2HB MET 1 1HB MET 1 -16.870 3.171 -13.219 7 1HG MET 1 2HG MET 1 -18.022 4.386 -15.006 8 2HG MET 1 1HG MET 1 -19.558 3.712 -14.463 9 1HE MET 1 1HE MET 1 -20.610 6.102 -14.292 10 2HE MET 1 2HE MET 1 -19.102 6.818 -14.859 11 3HE MET 1 3HE MET 1 -19.887 7.444 -13.407 12 H GLY 2 H GLY 2 -15.131 1.672 -14.260 13 1HA GLY 2 2HA GLY 2 -15.074 -1.111 -13.291 14 2HA GLY 2 1HA GLY 2 -13.728 -0.267 -14.040 15 H ASN 3 H ASN 3 -12.158 0.048 -12.647 16 HA ASN 3 HA ASN 3 -12.858 0.643 -9.845 17 1HB ASN 3 2HB ASN 3 -11.683 -1.542 -10.279 18 2HB ASN 3 1HB ASN 3 -10.306 -0.622 -10.876 19 1HD2 ASN 3 1HD2 ASN 3 -8.929 -1.407 -9.301 20 2HD2 ASN 3 2HD2 ASN 3 -9.054 -0.937 -7.640 21 H ILE 4 H ILE 4 -12.605 2.543 -12.065 22 HA ILE 4 HA ILE 4 -10.114 3.898 -11.845 23 HB ILE 4 HB ILE 4 -11.638 4.155 -13.792 24 1HG1 ILE 4 2HG1 ILE 4 -11.070 6.779 -12.396 25 2HG1 ILE 4 1HG1 ILE 4 -9.862 5.826 -13.250 26 1HG2 ILE 4 1HG2 ILE 4 -13.319 5.773 -11.886 27 2HG2 ILE 4 2HG2 ILE 4 -13.756 4.226 -12.616 28 3HG2 ILE 4 3HG2 ILE 4 -13.566 5.658 -13.629 29 1HD1 ILE 4 1HD1 ILE 4 -10.639 7.642 -14.631 30 2HD1 ILE 4 2HD1 ILE 4 -12.306 7.095 -14.454 31 3HD1 ILE 4 3HD1 ILE 4 -11.138 6.099 -15.324 32 H ARG 5 H ARG 5 -9.659 5.869 -10.769 33 HA ARG 5 HA ARG 5 -9.675 7.385 -9.073 34 1HB ARG 5 2HB ARG 5 -12.110 7.722 -9.749 35 2HB ARG 5 1HB ARG 5 -12.530 6.610 -8.455 36 1HG ARG 5 2HG ARG 5 -11.376 8.139 -6.859 37 2HG ARG 5 1HG ARG 5 -11.175 9.283 -8.188 38 1HD ARG 5 2HD ARG 5 -13.783 8.239 -7.093 39 2HD ARG 5 1HD ARG 5 -13.128 9.861 -6.869 40 HE ARG 5 HE ARG 5 -13.260 9.857 -9.479 41 1HH1 ARG 5 1HH1 ARG 5 -15.572 8.525 -7.206 42 2HH1 ARG 5 2HH1 ARG 5 -16.925 8.707 -8.282 43 1HH2 ARG 5 1HH2 ARG 5 -15.042 10.110 -10.888 44 2HH2 ARG 5 2HH2 ARG 5 -16.628 9.598 -10.383 45 H THR 6 H THR 6 -9.168 4.483 -8.873 46 HA THR 6 HA THR 6 -8.637 4.381 -6.060 47 HB THR 6 HB THR 6 -9.767 1.921 -6.161 48 HG1 THR 6 1HG THR 6 -11.248 1.840 -7.649 49 1HG2 THR 6 1HG2 THR 6 -11.592 2.835 -4.798 50 2HG2 THR 6 2HG2 THR 6 -11.153 4.464 -5.312 51 3HG2 THR 6 3HG2 THR 6 -10.030 3.514 -4.340 52 H SER 7 H SER 7 -8.635 2.823 -9.223 53 HA SER 7 HA SER 7 -6.599 0.957 -8.768 54 1HB SER 7 2HB SER 7 -7.209 2.542 -11.279 55 2HB SER 7 1HB SER 7 -6.163 1.124 -11.208 56 HG SER 7 HG SER 7 -8.922 1.198 -10.525 57 H PHE 8 H PHE 8 -6.532 4.409 -9.194 58 HA PHE 8 HA PHE 8 -3.811 4.835 -9.653 59 1HB PHE 8 2HB PHE 8 -5.457 6.625 -9.826 60 2HB PHE 8 1HB PHE 8 -5.805 6.508 -8.105 61 HD1 PHE 8 1HD PHE 8 -4.585 7.753 -6.556 62 HD2 PHE 8 2HD PHE 8 -3.137 7.350 -10.536 63 HE1 PHE 8 1HE PHE 8 -2.860 9.445 -6.094 64 HE2 PHE 8 2HE PHE 8 -1.408 9.040 -10.080 65 HZ PHE 8 HZ PHE 8 -1.267 10.088 -7.859 66 H VAL 9 H VAL 9 -5.595 4.587 -6.586 67 HA VAL 9 HA VAL 9 -3.337 4.924 -4.911 68 HB VAL 9 HB VAL 9 -5.914 3.473 -4.276 69 1HG1 VAL 9 1HG1 VAL 9 -5.412 4.058 -1.950 70 2HG1 VAL 9 2HG1 VAL 9 -3.877 4.762 -2.461 71 3HG1 VAL 9 3HG1 VAL 9 -4.160 3.031 -2.647 72 1HG2 VAL 9 1HG2 VAL 9 -6.692 5.605 -3.367 73 2HG2 VAL 9 2HG2 VAL 9 -6.361 5.717 -5.097 74 3HG2 VAL 9 3HG2 VAL 9 -5.215 6.383 -3.933 75 H LYS 10 H LYS 10 -4.989 2.111 -6.228 76 HA LYS 10 HA LYS 10 -3.491 0.098 -4.985 77 1HB LYS 10 2HB LYS 10 -5.577 -0.344 -6.162 78 2HB LYS 10 1HB LYS 10 -4.850 0.138 -7.687 79 1HG LYS 10 2HG LYS 10 -3.393 -1.773 -7.656 80 2HG LYS 10 1HG LYS 10 -3.964 -2.227 -6.047 81 1HD LYS 10 2HD LYS 10 -6.161 -2.682 -6.883 82 2HD LYS 10 1HD LYS 10 -5.749 -2.020 -8.465 83 1HE LYS 10 2HE LYS 10 -4.430 -4.435 -7.237 84 2HE LYS 10 1HE LYS 10 -5.777 -4.510 -8.371 85 1HZ LYS 10 1HZ LYS 10 -3.093 -3.353 -8.915 86 2HZ LYS 10 2HZ LYS 10 -4.395 -3.349 -10.000 87 3HZ LYS 10 3HZ LYS 10 -3.699 -4.820 -9.521 88 H ARG 11 H ARG 11 -2.831 2.090 -7.806 89 HA ARG 11 HA ARG 11 -0.586 0.614 -8.731 90 1HB ARG 11 2HB ARG 11 -1.836 2.263 -10.123 91 2HB ARG 11 1HB ARG 11 -1.157 3.556 -9.138 92 1HG ARG 11 2HG ARG 11 1.120 2.640 -9.782 93 2HG ARG 11 1HG ARG 11 0.272 1.682 -10.993 94 1HD ARG 11 2HD ARG 11 -0.610 3.717 -11.999 95 2HD ARG 11 1HD ARG 11 0.198 4.688 -10.764 96 HE ARG 11 HE ARG 11 1.707 2.961 -12.630 97 1HH1 ARG 11 1HH1 ARG 11 1.138 6.064 -11.123 98 2HH1 ARG 11 2HH1 ARG 11 2.588 6.790 -11.741 99 1HH2 ARG 11 1HH2 ARG 11 3.598 3.907 -13.489 100 2HH2 ARG 11 2HH2 ARG 11 3.998 5.548 -13.094 101 H ILE 12 H ILE 12 -0.996 3.254 -6.423 102 HA ILE 12 HA ILE 12 1.724 3.897 -6.072 103 HB ILE 12 HB ILE 12 -0.341 4.008 -3.869 104 1HG1 ILE 12 2HG1 ILE 12 0.235 6.088 -5.997 105 2HG1 ILE 12 1HG1 ILE 12 -1.205 5.077 -5.948 106 1HG2 ILE 12 1HG2 ILE 12 1.016 5.888 -3.082 107 2HG2 ILE 12 2HG2 ILE 12 2.132 5.638 -4.425 108 3HG2 ILE 12 3HG2 ILE 12 1.957 4.398 -3.181 109 1HD1 ILE 12 1HD1 ILE 12 -1.865 6.100 -3.845 110 2HD1 ILE 12 2HD1 ILE 12 -1.638 7.316 -5.103 111 3HD1 ILE 12 3HD1 ILE 12 -0.405 7.093 -3.862 112 H ALA 13 H ALA 13 -0.356 1.497 -4.548 113 HA ALA 13 HA ALA 13 1.528 0.517 -2.687 114 1HB ALA 13 1HB ALA 13 -0.856 0.075 -2.483 115 2HB ALA 13 2HB ALA 13 0.060 -1.431 -2.519 116 3HB ALA 13 3HB ALA 13 -0.815 -0.896 -3.954 117 H LYS 14 H LYS 14 0.860 -0.263 -6.046 118 HA LYS 14 HA LYS 14 2.471 -2.565 -6.241 119 1HB LYS 14 2HB LYS 14 0.839 -2.009 -7.961 120 2HB LYS 14 1HB LYS 14 1.720 -0.538 -8.358 121 1HG LYS 14 2HG LYS 14 3.688 -2.055 -8.903 122 2HG LYS 14 1HG LYS 14 2.530 -3.385 -8.839 123 1HD LYS 14 2HD LYS 14 1.236 -2.421 -10.614 124 2HD LYS 14 1HD LYS 14 2.219 -0.955 -10.596 125 1HE LYS 14 2HE LYS 14 3.083 -3.727 -11.399 126 2HE LYS 14 1HE LYS 14 2.910 -2.320 -12.446 127 1HZ LYS 14 1HZ LYS 14 4.950 -2.807 -10.357 128 2HZ LYS 14 2HZ LYS 14 4.659 -1.254 -10.978 129 3HZ LYS 14 3HZ LYS 14 5.187 -2.498 -12.007 130 H GLU 15 H GLU 15 3.167 0.801 -7.222 131 HA GLU 15 HA GLU 15 5.908 0.291 -7.756 132 1HB GLU 15 2HB GLU 15 4.176 2.687 -7.629 133 2HB GLU 15 1HB GLU 15 5.895 2.959 -7.376 134 1HG GLU 15 2HG GLU 15 5.286 3.268 -9.703 135 2HG GLU 15 1HG GLU 15 6.398 1.917 -9.510 136 H MET 16 H MET 16 4.194 0.783 -4.871 137 HA MET 16 HA MET 16 6.236 1.813 -3.210 138 1HB MET 16 2HB MET 16 3.678 1.375 -2.775 139 2HB MET 16 1HB MET 16 4.235 -0.204 -2.249 140 1HG MET 16 2HG MET 16 4.015 1.179 -0.336 141 2HG MET 16 1HG MET 16 5.735 0.928 -0.633 142 1HE MET 16 1HE MET 16 4.259 3.277 1.182 143 2HE MET 16 2HE MET 16 5.383 4.594 0.850 144 3HE MET 16 3HE MET 16 5.995 2.966 1.150 145 H ILE 17 H ILE 17 5.141 -1.516 -3.830 146 HA ILE 17 HA ILE 17 7.353 -2.701 -2.446 147 HB ILE 17 HB ILE 17 5.437 -4.020 -4.378 148 1HG1 ILE 17 2HG1 ILE 17 5.248 -3.761 -1.366 149 2HG1 ILE 17 1HG1 ILE 17 4.273 -2.857 -2.521 150 1HG2 ILE 17 1HG2 ILE 17 7.457 -5.322 -3.901 151 2HG2 ILE 17 2HG2 ILE 17 6.023 -6.081 -3.210 152 3HG2 ILE 17 3HG2 ILE 17 7.134 -5.187 -2.172 153 1HD1 ILE 17 1HD1 ILE 17 4.267 -5.848 -2.192 154 2HD1 ILE 17 2HD1 ILE 17 3.264 -4.918 -3.308 155 3HD1 ILE 17 3HD1 ILE 17 3.052 -4.733 -1.566 156 H GLU 18 H GLU 18 6.647 -1.784 -5.730 157 HA GLU 18 HA GLU 18 8.599 -3.252 -7.096 158 1HB GLU 18 2HB GLU 18 6.774 -1.991 -8.187 159 2HB GLU 18 1HB GLU 18 7.544 -0.482 -7.718 160 1HG GLU 18 2HG GLU 18 7.922 -1.084 -10.071 161 2HG GLU 18 1HG GLU 18 9.417 -0.930 -9.149 162 H THR 19 H THR 19 10.635 -2.566 -7.924 163 HA THR 19 HA THR 19 12.706 -1.619 -7.855 164 HB THR 19 HB THR 19 11.658 0.249 -5.717 165 HG1 THR 19 1HG THR 19 10.648 1.010 -7.437 166 1HG2 THR 19 1HG2 THR 19 14.102 0.013 -5.676 167 2HG2 THR 19 2HG2 THR 19 13.623 1.611 -6.252 168 3HG2 THR 19 3HG2 THR 19 14.168 0.386 -7.399 169 H HIS 20 H HIS 20 11.193 -2.041 -4.654 170 HA HIS 20 HA HIS 20 13.382 -3.814 -3.925 171 1HB HIS 20 2HB HIS 20 14.180 -1.622 -3.182 172 2HB HIS 20 1HB HIS 20 12.682 -1.360 -2.299 173 HD1 HIS 20 1HD HIS 20 15.993 -3.015 -2.069 174 HD2 HIS 20 2HD HIS 20 12.443 -2.879 0.100 175 HE1 HIS 20 1HE HIS 20 16.532 -3.991 0.186 176 HE2 HIS 20 2HE HIS 20 14.430 -3.673 1.550 177 HA PRO 21 HA PRO 21 9.466 -5.519 -2.319 178 1HB PRO 21 2HB PRO 21 10.837 -8.076 -2.656 179 2HB PRO 21 1HB PRO 21 9.345 -7.510 -3.409 180 1HG PRO 21 2HG PRO 21 11.648 -7.852 -4.795 181 2HG PRO 21 1HG PRO 21 10.444 -6.622 -5.222 182 1HD PRO 21 2HD PRO 21 13.025 -6.316 -3.730 183 2HD PRO 21 1HD PRO 21 12.311 -5.265 -4.972 184 H GLY 22 H GLY 22 9.815 -4.798 -0.217 185 1HA GLY 22 2HA GLY 22 11.956 -5.648 1.429 186 2HA GLY 22 1HA GLY 22 10.500 -4.829 1.970 187 H LYS 23 H LYS 23 8.604 -6.130 2.393 188 HA LYS 23 HA LYS 23 9.168 -8.958 2.932 189 1HB LYS 23 2HB LYS 23 8.038 -6.977 4.922 190 2HB LYS 23 1HB LYS 23 8.017 -8.717 5.146 191 1HG LYS 23 2HG LYS 23 10.422 -8.790 5.208 192 2HG LYS 23 1HG LYS 23 10.512 -7.066 4.836 193 1HD LYS 23 2HD LYS 23 9.451 -6.513 6.931 194 2HD LYS 23 1HD LYS 23 9.182 -8.220 7.286 195 1HE LYS 23 2HE LYS 23 11.902 -6.974 6.936 196 2HE LYS 23 1HE LYS 23 11.115 -7.199 8.496 197 1HZ LYS 23 1HZ LYS 23 12.725 -8.971 7.855 198 2HZ LYS 23 2HZ LYS 23 11.663 -9.431 6.617 199 3HZ LYS 23 3HZ LYS 23 11.174 -9.535 8.235 200 H PHE 24 H PHE 24 7.323 -10.290 3.038 201 HA PHE 24 HA PHE 24 4.825 -9.028 2.106 202 1HB PHE 24 2HB PHE 24 6.033 -10.608 0.494 203 2HB PHE 24 1HB PHE 24 5.623 -11.902 1.612 204 HD1 PHE 24 1HD PHE 24 4.066 -9.179 -0.386 205 HD2 PHE 24 2HD PHE 24 3.616 -13.030 1.368 206 HE1 PHE 24 1HE PHE 24 1.893 -9.433 -1.511 207 HE2 PHE 24 2HE PHE 24 1.442 -13.292 0.247 208 HZ PHE 24 HZ PHE 24 0.578 -11.490 -1.196 209 H THR 25 H THR 25 4.861 -8.785 4.598 210 HA THR 25 HA THR 25 3.576 -11.144 5.812 211 HB THR 25 HB THR 25 5.201 -9.052 7.280 212 HG1 THR 25 1HG THR 25 5.916 -11.467 6.033 213 1HG2 THR 25 1HG2 THR 25 5.161 -10.687 9.112 214 2HG2 THR 25 2HG2 THR 25 4.154 -11.755 8.133 215 3HG2 THR 25 3HG2 THR 25 3.530 -10.192 8.657 216 H ASP 26 H ASP 26 1.627 -10.815 6.804 217 HA ASP 26 HA ASP 26 0.363 -8.269 6.216 218 1HB ASP 26 2HB ASP 26 -1.746 -9.440 6.709 219 2HB ASP 26 1HB ASP 26 -0.777 -10.297 5.518 220 H ASP 27 H ASP 27 2.230 -8.393 8.456 221 HA ASP 27 HA ASP 27 0.462 -7.914 10.741 222 1HB ASP 27 2HB ASP 27 2.664 -9.202 10.948 223 2HB ASP 27 1HB ASP 27 3.473 -7.660 10.702 224 H PHE 28 H PHE 28 0.275 -5.871 11.715 225 HA PHE 28 HA PHE 28 0.480 -3.646 9.973 226 1HB PHE 28 2HB PHE 28 -0.162 -3.906 12.904 227 2HB PHE 28 1HB PHE 28 -0.060 -2.334 12.116 228 HD1 PHE 28 1HD PHE 28 -1.895 -5.523 12.217 229 HD2 PHE 28 2HD PHE 28 -1.780 -1.559 10.682 230 HE1 PHE 28 1HE PHE 28 -4.227 -5.750 11.464 231 HE2 PHE 28 2HE PHE 28 -4.107 -1.777 9.923 232 HZ PHE 28 HZ PHE 28 -5.334 -3.873 10.312 233 H ASP 29 H ASP 29 2.593 -4.981 12.408 234 HA ASP 29 HA ASP 29 4.335 -2.752 12.656 235 1HB ASP 29 2HB ASP 29 4.416 -4.646 14.223 236 2HB ASP 29 1HB ASP 29 4.931 -5.710 12.920 237 H THR 30 H THR 30 4.072 -5.430 10.432 238 HA THR 30 HA THR 30 6.487 -5.026 9.044 239 HB THR 30 HB THR 30 3.960 -6.267 7.948 240 HG1 THR 30 1HG THR 30 5.731 -7.098 9.905 241 1HG2 THR 30 1HG2 THR 30 6.876 -6.700 7.286 242 2HG2 THR 30 2HG2 THR 30 5.711 -5.832 6.286 243 3HG2 THR 30 3HG2 THR 30 5.517 -7.563 6.569 244 H ASN 31 H ASN 31 3.117 -4.096 8.162 245 HA ASN 31 HA ASN 31 3.902 -2.832 5.771 246 1HB ASN 31 2HB ASN 31 1.672 -1.894 5.642 247 2HB ASN 31 1HB ASN 31 1.580 -3.563 6.171 248 1HD2 ASN 31 1HD2 ASN 31 -0.438 -3.329 7.055 249 2HD2 ASN 31 2HD2 ASN 31 -0.732 -2.426 8.497 250 H LYS 32 H LYS 32 3.830 -1.709 9.032 251 HA LYS 32 HA LYS 32 3.997 1.065 8.572 252 1HB LYS 32 2HB LYS 32 3.460 -0.018 10.738 253 2HB LYS 32 1HB LYS 32 5.118 -0.585 10.846 254 1HG LYS 32 2HG LYS 32 5.925 1.672 11.039 255 2HG LYS 32 1HG LYS 32 4.299 2.313 10.782 256 1HD LYS 32 2HD LYS 32 3.539 1.185 12.822 257 2HD LYS 32 1HD LYS 32 5.167 0.557 13.079 258 1HE LYS 32 2HE LYS 32 6.023 2.809 13.333 259 2HE LYS 32 1HE LYS 32 4.429 3.477 12.985 260 1HZ LYS 32 1HZ LYS 32 3.573 2.507 14.979 261 2HZ LYS 32 2HZ LYS 32 4.967 3.393 15.377 262 3HZ LYS 32 3HZ LYS 32 5.031 1.697 15.287 263 H LYS 33 H LYS 33 6.486 -1.408 9.111 264 HA LYS 33 HA LYS 33 8.647 0.422 8.642 265 1HB LYS 33 2HB LYS 33 8.562 -2.584 8.918 266 2HB LYS 33 1HB LYS 33 10.046 -1.647 8.761 267 1HG LYS 33 2HG LYS 33 9.701 -0.573 10.832 268 2HG LYS 33 1HG LYS 33 8.036 -1.145 10.932 269 1HD LYS 33 2HD LYS 33 8.862 -3.453 11.127 270 2HD LYS 33 1HD LYS 33 10.521 -2.849 11.079 271 1HE LYS 33 2HE LYS 33 10.260 -1.708 13.136 272 2HE LYS 33 1HE LYS 33 8.513 -1.931 13.122 273 1HZ LYS 33 1HZ LYS 33 10.542 -4.079 13.442 274 2HZ LYS 33 2HZ LYS 33 8.860 -4.314 13.386 275 3HZ LYS 33 3HZ LYS 33 9.554 -3.441 14.660 276 H LEU 34 H LEU 34 6.669 -1.636 6.702 277 HA LEU 34 HA LEU 34 8.352 -1.850 4.441 278 1HB LEU 34 2HB LEU 34 5.350 -1.885 4.708 279 2HB LEU 34 1HB LEU 34 6.173 -2.127 3.181 280 HG LEU 34 HG LEU 34 6.333 -3.898 5.618 281 1HD1 LEU 34 1HD1 LEU 34 4.279 -4.112 4.304 282 2HD1 LEU 34 2HD1 LEU 34 5.289 -5.551 4.169 283 3HD1 LEU 34 3HD1 LEU 34 5.239 -4.383 2.850 284 1HD2 LEU 34 1HD2 LEU 34 7.783 -4.101 2.982 285 2HD2 LEU 34 2HD2 LEU 34 7.746 -5.348 4.227 286 3HD2 LEU 34 3HD2 LEU 34 8.508 -3.795 4.561 287 H VAL 35 H VAL 35 5.751 0.453 5.241 288 HA VAL 35 HA VAL 35 6.020 2.131 3.030 289 HB VAL 35 HB VAL 35 5.245 2.834 5.870 290 1HG1 VAL 35 1HG1 VAL 35 5.994 4.833 4.663 291 2HG1 VAL 35 2HG1 VAL 35 4.257 4.872 4.956 292 3HG1 VAL 35 3HG1 VAL 35 4.872 4.462 3.353 293 1HG2 VAL 35 1HG2 VAL 35 3.776 1.207 4.807 294 2HG2 VAL 35 2HG2 VAL 35 3.583 2.273 3.415 295 3HG2 VAL 35 3HG2 VAL 35 2.957 2.758 4.991 296 H GLU 36 H GLU 36 7.681 2.159 6.137 297 HA GLU 36 HA GLU 36 9.283 4.414 5.812 298 1HB GLU 36 2HB GLU 36 9.017 3.209 7.924 299 2HB GLU 36 1HB GLU 36 9.867 1.823 7.256 300 1HG GLU 36 2HG GLU 36 11.859 3.348 6.964 301 2HG GLU 36 1HG GLU 36 10.980 4.525 7.943 302 H GLU 37 H GLU 37 9.808 1.074 4.765 303 HA GLU 37 HA GLU 37 12.496 1.602 3.876 304 1HB GLU 37 2HB GLU 37 12.065 -0.567 4.777 305 2HB GLU 37 1HB GLU 37 10.719 -0.823 3.676 306 1HG GLU 37 2HG GLU 37 12.205 -0.945 1.797 307 2HG GLU 37 1HG GLU 37 13.583 -0.518 2.810 308 H PHE 38 H PHE 38 9.395 0.910 2.291 309 HA PHE 38 HA PHE 38 10.356 0.543 -0.296 310 1HB PHE 38 2HB PHE 38 7.668 1.467 0.707 311 2HB PHE 38 1HB PHE 38 7.992 1.144 -0.992 312 HD1 PHE 38 1HD PHE 38 5.916 -0.226 0.725 313 HD2 PHE 38 2HD PHE 38 9.948 -1.222 -0.194 314 HE1 PHE 38 1HE PHE 38 5.403 -2.606 1.067 315 HE2 PHE 38 2HE PHE 38 9.441 -3.603 0.147 316 HZ PHE 38 HZ PHE 38 7.166 -4.299 0.777 317 H SER 39 H SER 39 8.386 3.382 0.518 318 HA SER 39 HA SER 39 10.322 5.043 -0.924 319 1HB SER 39 2HB SER 39 8.309 4.428 -2.346 320 2HB SER 39 1HB SER 39 7.332 5.365 -1.216 321 HG SER 39 HG SER 39 9.521 6.321 -2.756 322 H THR 40 H THR 40 10.757 6.961 0.003 323 HA THR 40 HA THR 40 9.818 7.295 2.713 324 HB THR 40 HB THR 40 12.204 7.583 2.170 325 HG1 THR 40 1HG THR 40 10.726 9.743 3.243 326 1HG2 THR 40 1HG2 THR 40 12.960 9.603 0.991 327 2HG2 THR 40 2HG2 THR 40 11.282 10.027 0.647 328 3HG2 THR 40 3HG2 THR 40 11.985 8.570 -0.055 329 H VAL 41 H VAL 41 8.551 8.237 -0.170 330 HA VAL 41 HA VAL 41 7.891 10.945 0.323 331 HB VAL 41 HB VAL 41 7.757 10.071 -1.933 332 1HG1 VAL 41 1HG1 VAL 41 7.073 7.793 -1.482 333 2HG1 VAL 41 2HG1 VAL 41 5.965 8.544 -2.631 334 3HG1 VAL 41 3HG1 VAL 41 5.488 8.349 -0.944 335 1HG2 VAL 41 1HG2 VAL 41 5.542 10.937 -2.573 336 2HG2 VAL 41 2HG2 VAL 41 6.377 11.982 -1.423 337 3HG2 VAL 41 3HG2 VAL 41 5.071 10.930 -0.872 338 H SER 42 H SER 42 6.788 11.634 1.978 339 HA SER 42 HA SER 42 5.027 9.885 3.443 340 1HB SER 42 2HB SER 42 5.682 12.808 3.899 341 2HB SER 42 1HB SER 42 4.910 11.718 5.052 342 HG SER 42 HG SER 42 7.394 11.016 3.954 343 H THR 43 H THR 43 2.849 10.612 4.107 344 HA THR 43 HA THR 43 1.503 12.456 2.305 345 HB THR 43 HB THR 43 0.479 9.617 2.533 346 HG1 THR 43 1HG THR 43 2.405 10.711 0.876 347 1HG2 THR 43 1HG2 THR 43 -1.237 11.264 2.041 348 2HG2 THR 43 2HG2 THR 43 -0.911 10.306 0.597 349 3HG2 THR 43 3HG2 THR 43 -0.257 11.938 0.741 350 H LYS 44 H LYS 44 0.232 13.644 3.508 351 HA LYS 44 HA LYS 44 0.262 14.028 6.051 352 1HB LYS 44 2HB LYS 44 -1.134 15.283 4.438 353 2HB LYS 44 1HB LYS 44 -2.389 14.067 4.619 354 1HG LYS 44 2HG LYS 44 -2.873 14.713 6.800 355 2HG LYS 44 1HG LYS 44 -1.335 15.556 6.990 356 1HD LYS 44 2HD LYS 44 -3.194 17.130 6.736 357 2HD LYS 44 1HD LYS 44 -2.047 17.257 5.401 358 1HE LYS 44 2HE LYS 44 -3.546 15.814 4.046 359 2HE LYS 44 1HE LYS 44 -4.709 15.838 5.373 360 1HZ LYS 44 1HZ LYS 44 -4.779 18.279 5.154 361 2HZ LYS 44 2HZ LYS 44 -5.314 17.481 3.762 362 3HZ LYS 44 3HZ LYS 44 -3.769 18.177 3.797 363 H HIS 45 H HIS 45 -2.790 12.329 5.305 364 HA HIS 45 HA HIS 45 -2.055 10.366 7.366 365 1HB HIS 45 2HB HIS 45 -4.571 12.003 7.256 366 2HB HIS 45 1HB HIS 45 -4.560 10.422 8.028 367 HD1 HIS 45 1HD HIS 45 -4.842 13.414 9.336 368 HD2 HIS 45 2HD HIS 45 -1.651 10.762 9.588 369 HE1 HIS 45 1HE HIS 45 -3.572 14.074 11.407 370 HE2 HIS 45 2HE HIS 45 -1.636 12.461 11.537 371 H LEU 46 H LEU 46 -2.477 10.591 4.300 372 HA LEU 46 HA LEU 46 -4.451 8.501 3.893 373 1HB LEU 46 2HB LEU 46 -4.312 10.386 2.313 374 2HB LEU 46 1HB LEU 46 -2.665 9.930 1.920 375 HG LEU 46 HG LEU 46 -3.507 7.774 1.026 376 1HD1 LEU 46 1HD1 LEU 46 -6.217 9.001 1.502 377 2HD1 LEU 46 2HD1 LEU 46 -5.546 7.597 2.329 378 3HD1 LEU 46 3HD1 LEU 46 -5.900 7.518 0.603 379 1HD2 LEU 46 1HD2 LEU 46 -4.748 10.234 -0.199 380 2HD2 LEU 46 2HD2 LEU 46 -4.463 8.701 -1.020 381 3HD2 LEU 46 3HD2 LEU 46 -3.098 9.667 -0.459 382 H ARG 47 H ARG 47 -1.013 8.887 4.140 383 HA ARG 47 HA ARG 47 -0.234 6.553 2.725 384 1HB ARG 47 2HB ARG 47 1.283 8.462 3.243 385 2HB ARG 47 1HB ARG 47 1.258 7.985 4.934 386 1HG ARG 47 2HG ARG 47 3.280 7.216 3.840 387 2HG ARG 47 1HG ARG 47 2.289 5.850 4.356 388 1HD ARG 47 2HD ARG 47 3.212 5.495 2.120 389 2HD ARG 47 1HD ARG 47 1.453 5.583 2.084 390 HE ARG 47 HE ARG 47 2.219 8.130 1.554 391 1HH1 ARG 47 1HH1 ARG 47 3.055 5.037 0.153 392 2HH1 ARG 47 2HH1 ARG 47 3.348 5.683 -1.426 393 1HH2 ARG 47 1HH2 ARG 47 2.592 8.993 -0.512 394 2HH2 ARG 47 2HH2 ARG 47 3.083 7.948 -1.808 395 H ASN 48 H ASN 48 -1.065 7.221 6.072 396 HA ASN 48 HA ASN 48 -0.399 4.764 7.220 397 1HB ASN 48 2HB ASN 48 -1.038 6.664 8.584 398 2HB ASN 48 1HB ASN 48 -2.649 6.678 7.875 399 1HD2 ASN 48 1HD2 ASN 48 -0.494 5.043 10.057 400 2HD2 ASN 48 2HD2 ASN 48 -1.703 4.114 10.877 401 H LYS 49 H LYS 49 -3.283 5.771 5.453 402 HA LYS 49 HA LYS 49 -4.685 3.325 5.896 403 1HB LYS 49 2HB LYS 49 -5.146 5.519 3.869 404 2HB LYS 49 1HB LYS 49 -6.245 4.175 4.158 405 1HG LYS 49 2HG LYS 49 -5.466 6.292 6.154 406 2HG LYS 49 1HG LYS 49 -7.008 6.171 5.305 407 1HD LYS 49 2HD LYS 49 -7.515 4.095 6.407 408 2HD LYS 49 1HD LYS 49 -5.909 4.037 7.132 409 1HE LYS 49 2HE LYS 49 -7.545 4.767 8.765 410 2HE LYS 49 1HE LYS 49 -6.415 6.070 8.404 411 1HZ LYS 49 1HZ LYS 49 -8.068 7.050 6.933 412 2HZ LYS 49 2HZ LYS 49 -8.682 6.874 8.501 413 3HZ LYS 49 3HZ LYS 49 -9.155 5.795 7.283 414 H ILE 50 H ILE 50 -2.532 4.558 3.431 415 HA ILE 50 HA ILE 50 -2.870 2.517 1.528 416 HB ILE 50 HB ILE 50 -0.404 4.147 2.163 417 1HG1 ILE 50 2HG1 ILE 50 -2.499 4.467 0.005 418 2HG1 ILE 50 1HG1 ILE 50 -2.382 5.454 1.458 419 1HG2 ILE 50 1HG2 ILE 50 -1.003 2.420 -0.235 420 2HG2 ILE 50 2HG2 ILE 50 0.235 2.126 0.987 421 3HG2 ILE 50 3HG2 ILE 50 0.370 3.518 -0.087 422 1HD1 ILE 50 1HD1 ILE 50 -0.194 6.264 0.712 423 2HD1 ILE 50 2HD1 ILE 50 -1.463 6.611 -0.461 424 3HD1 ILE 50 3HD1 ILE 50 -0.339 5.284 -0.748 425 H ALA 51 H ALA 51 -0.800 2.770 4.385 426 HA ALA 51 HA ALA 51 0.616 0.370 4.081 427 1HB ALA 51 1HB ALA 51 -0.217 1.725 6.645 428 2HB ALA 51 2HB ALA 51 1.230 2.096 5.708 429 3HB ALA 51 3HB ALA 51 1.059 0.517 6.473 430 H GLY 52 H GLY 52 -2.452 1.063 5.724 431 1HA GLY 52 2HA GLY 52 -3.003 -1.564 6.580 432 2HA GLY 52 1HA GLY 52 -4.204 -0.309 6.302 433 H TYR 53 H TYR 53 -3.491 0.058 3.516 434 HA TYR 53 HA TYR 53 -5.131 -1.963 2.363 435 1HB TYR 53 2HB TYR 53 -4.838 0.487 1.612 436 2HB TYR 53 1HB TYR 53 -3.381 -0.071 0.798 437 HD1 TYR 53 1HD TYR 53 -3.512 -1.251 -1.272 438 HD2 TYR 53 2HD TYR 53 -7.049 -0.433 0.945 439 HE1 TYR 53 1HE TYR 53 -4.876 -1.951 -3.196 440 HE2 TYR 53 2HE TYR 53 -8.421 -1.129 -0.970 441 HH TYR 53 HH TYR 53 -8.200 -1.316 -3.416 442 H ILE 54 H ILE 54 -1.676 -1.426 2.618 443 HA ILE 54 HA ILE 54 -0.764 -3.338 0.786 444 HB ILE 54 HB ILE 54 0.473 -2.527 3.426 445 1HG1 ILE 54 2HG1 ILE 54 1.042 -1.587 0.605 446 2HG1 ILE 54 1HG1 ILE 54 0.147 -0.675 1.818 447 1HG2 ILE 54 1HG2 ILE 54 1.360 -4.669 2.670 448 2HG2 ILE 54 2HG2 ILE 54 2.574 -3.399 2.518 449 3HG2 ILE 54 3HG2 ILE 54 1.718 -3.974 1.088 450 1HD1 ILE 54 1HD1 ILE 54 2.131 -0.554 3.212 451 2HD1 ILE 54 2HD1 ILE 54 2.447 0.104 1.605 452 3HD1 ILE 54 3HD1 ILE 54 3.033 -1.505 2.032 453 H THR 55 H THR 55 -1.466 -3.681 4.272 454 HA THR 55 HA THR 55 -1.047 -6.451 4.390 455 HB THR 55 HB THR 55 -2.850 -6.133 6.350 456 HG1 THR 55 1HG THR 55 -3.333 -3.959 5.718 457 1HG2 THR 55 1HG2 THR 55 -0.967 -5.511 7.809 458 2HG2 THR 55 2HG2 THR 55 -0.015 -5.092 6.386 459 3HG2 THR 55 3HG2 THR 55 -0.513 -6.762 6.653 460 H ARG 56 H ARG 56 -3.829 -4.588 3.344 461 HA ARG 56 HA ARG 56 -5.663 -6.751 3.213 462 1HB ARG 56 2HB ARG 56 -6.670 -4.644 3.146 463 2HB ARG 56 1HB ARG 56 -5.546 -4.034 1.939 464 1HG ARG 56 2HG ARG 56 -6.606 -5.296 0.211 465 2HG ARG 56 1HG ARG 56 -7.602 -6.156 1.384 466 1HD ARG 56 2HD ARG 56 -8.895 -4.255 1.847 467 2HD ARG 56 1HD ARG 56 -7.723 -3.171 1.099 468 HE ARG 56 HE ARG 56 -8.584 -3.685 -0.984 469 1HH1 ARG 56 1HH1 ARG 56 -9.989 -5.830 1.406 470 2HH1 ARG 56 2HH1 ARG 56 -11.341 -6.264 0.403 471 1HH2 ARG 56 1HH2 ARG 56 -10.346 -4.283 -2.312 472 2HH2 ARG 56 2HH2 ARG 56 -11.530 -5.407 -1.720 473 H ILE 57 H ILE 57 -3.390 -5.361 0.885 474 HA ILE 57 HA ILE 57 -4.089 -6.940 -1.325 475 HB ILE 57 HB ILE 57 -1.374 -5.830 -0.586 476 1HG1 ILE 57 2HG1 ILE 57 -3.517 -4.755 -2.434 477 2HG1 ILE 57 1HG1 ILE 57 -3.157 -4.135 -0.827 478 1HG2 ILE 57 1HG2 ILE 57 -1.208 -7.656 -2.216 479 2HG2 ILE 57 2HG2 ILE 57 -0.790 -6.100 -2.934 480 3HG2 ILE 57 3HG2 ILE 57 -2.365 -6.825 -3.256 481 1HD1 ILE 57 1HD1 ILE 57 -1.293 -4.123 -3.186 482 2HD1 ILE 57 2HD1 ILE 57 -0.918 -3.511 -1.575 483 3HD1 ILE 57 3HD1 ILE 57 -2.174 -2.739 -2.541 484 H ILE 58 H ILE 58 -1.749 -7.488 1.271 485 HA ILE 58 HA ILE 58 -0.676 -9.894 0.316 486 HB ILE 58 HB ILE 58 -0.953 -8.941 3.173 487 1HG1 ILE 58 2HG1 ILE 58 1.359 -8.720 1.230 488 2HG1 ILE 58 1HG1 ILE 58 0.257 -7.407 1.631 489 1HG2 ILE 58 1HG2 ILE 58 0.909 -11.018 2.025 490 2HG2 ILE 58 2HG2 ILE 58 -0.514 -11.362 3.007 491 3HG2 ILE 58 3HG2 ILE 58 0.847 -10.481 3.705 492 1HD1 ILE 58 1HD1 ILE 58 2.360 -7.214 2.827 493 2HD1 ILE 58 2HD1 ILE 58 2.106 -8.803 3.548 494 3HD1 ILE 58 3HD1 ILE 58 1.019 -7.472 3.942 495 H SER 59 H SER 59 -3.301 -9.345 2.664 496 HA SER 59 HA SER 59 -3.840 -12.085 3.090 497 1HB SER 59 2HB SER 59 -6.055 -11.161 3.998 498 2HB SER 59 1HB SER 59 -4.570 -10.621 4.781 499 HG SER 59 HG SER 59 -4.847 -8.654 4.003 500 H GLN 60 H GLN 60 -5.111 -9.741 0.786 501 HA GLN 60 HA GLN 60 -7.221 -11.423 -0.148 502 1HB GLN 60 2HB GLN 60 -7.275 -8.969 -0.383 503 2HB GLN 60 1HB GLN 60 -5.911 -9.050 -1.487 504 1HG GLN 60 2HG GLN 60 -7.265 -10.350 -3.055 505 2HG GLN 60 1HG GLN 60 -8.635 -10.247 -1.953 506 1HE2 GLN 60 1HE2 GLN 60 -6.395 -7.619 -2.454 507 2HE2 GLN 60 2HE2 GLN 60 -7.493 -6.586 -3.294 508 H GLN 61 H GLN 61 -3.888 -10.863 -1.100 509 HA GLN 61 HA GLN 61 -4.064 -12.302 -3.561 510 1HB GLN 61 2HB GLN 61 -2.337 -10.516 -2.846 511 2HB GLN 61 1HB GLN 61 -1.522 -11.829 -2.014 512 1HG GLN 61 2HG GLN 61 -2.173 -11.932 -4.941 513 2HG GLN 61 1HG GLN 61 -0.686 -11.223 -4.323 514 1HE2 GLN 61 1HE2 GLN 61 -1.074 -13.515 -6.067 515 2HE2 GLN 61 2HE2 GLN 61 -0.326 -14.862 -5.277 516 H LYS 62 H LYS 62 -2.695 -13.073 -0.367 517 HA LYS 62 HA LYS 62 -2.716 -15.918 -1.144 518 1HB LYS 62 2HB LYS 62 -0.465 -15.002 -0.712 519 2HB LYS 62 1HB LYS 62 -0.977 -14.521 0.900 520 1HG LYS 62 2HG LYS 62 -1.546 -17.046 1.176 521 2HG LYS 62 1HG LYS 62 -0.434 -17.248 -0.178 522 1HD LYS 62 2HD LYS 62 0.950 -17.479 1.673 523 2HD LYS 62 1HD LYS 62 1.171 -15.786 1.227 524 1HE LYS 62 2HE LYS 62 -0.632 -16.842 3.409 525 2HE LYS 62 1HE LYS 62 0.911 -16.027 3.642 526 1HZ LYS 62 1HZ LYS 62 -0.879 -14.491 4.013 527 2HZ LYS 62 2HZ LYS 62 -1.566 -14.837 2.501 528 3HZ LYS 62 3HZ LYS 62 -0.071 -14.044 2.593 Start of MODEL 11 1 1H MET 1 1HT MET 1 -11.957 -2.714 -14.743 2 2H MET 1 2HT MET 1 -11.610 -2.851 -13.090 3 3H MET 1 3HT MET 1 -11.931 -1.331 -13.761 4 HA MET 1 HA MET 1 -14.179 -1.956 -14.250 5 1HB MET 1 2HB MET 1 -15.116 -4.053 -13.519 6 2HB MET 1 1HB MET 1 -13.737 -4.377 -14.557 7 1HG MET 1 2HG MET 1 -13.659 -4.458 -11.548 8 2HG MET 1 1HG MET 1 -13.898 -5.865 -12.586 9 1HE MET 1 1HE MET 1 -11.873 -7.080 -11.411 10 2HE MET 1 2HE MET 1 -11.587 -5.685 -10.374 11 3HE MET 1 3HE MET 1 -10.251 -6.399 -11.277 12 H GLY 2 H GLY 2 -12.111 -2.304 -11.463 13 1HA GLY 2 2HA GLY 2 -14.282 -1.248 -9.765 14 2HA GLY 2 1HA GLY 2 -12.863 -2.104 -9.173 15 H ASN 3 H ASN 3 -14.184 0.757 -9.058 16 HA ASN 3 HA ASN 3 -13.411 2.782 -8.389 17 1HB ASN 3 2HB ASN 3 -11.456 2.745 -7.306 18 2HB ASN 3 1HB ASN 3 -11.109 1.178 -8.027 19 1HD2 ASN 3 1HD2 ASN 3 -9.761 1.068 -9.823 20 2HD2 ASN 3 2HD2 ASN 3 -8.749 2.389 -10.297 21 H ILE 4 H ILE 4 -13.034 4.735 -9.359 22 HA ILE 4 HA ILE 4 -12.535 4.642 -12.251 23 HB ILE 4 HB ILE 4 -13.784 6.872 -10.627 24 1HG1 ILE 4 2HG1 ILE 4 -15.086 4.862 -12.477 25 2HG1 ILE 4 1HG1 ILE 4 -15.190 4.831 -10.722 26 1HG2 ILE 4 1HG2 ILE 4 -14.421 7.796 -12.813 27 2HG2 ILE 4 2HG2 ILE 4 -13.531 6.501 -13.612 28 3HG2 ILE 4 3HG2 ILE 4 -12.671 7.687 -12.631 29 1HD1 ILE 4 1HD1 ILE 4 -16.280 6.967 -12.541 30 2HD1 ILE 4 2HD1 ILE 4 -16.337 7.002 -10.778 31 3HD1 ILE 4 3HD1 ILE 4 -17.208 5.750 -11.663 32 H ARG 5 H ARG 5 -12.064 7.157 -9.762 33 HA ARG 5 HA ARG 5 -9.299 7.372 -10.713 34 1HB ARG 5 2HB ARG 5 -11.289 9.520 -10.151 35 2HB ARG 5 1HB ARG 5 -9.583 9.843 -9.864 36 1HG ARG 5 2HG ARG 5 -9.072 9.281 -12.176 37 2HG ARG 5 1HG ARG 5 -10.772 8.912 -12.471 38 1HD ARG 5 2HD ARG 5 -10.090 11.161 -13.259 39 2HD ARG 5 1HD ARG 5 -11.398 11.188 -12.080 40 HE ARG 5 HE ARG 5 -8.614 11.669 -11.235 41 1HH1 ARG 5 1HH1 ARG 5 -11.961 12.670 -11.507 42 2HH1 ARG 5 2HH1 ARG 5 -11.745 14.128 -10.582 43 1HH2 ARG 5 1HH2 ARG 5 -8.316 13.582 -9.981 44 2HH2 ARG 5 2HH2 ARG 5 -9.674 14.632 -9.689 45 H THR 6 H THR 6 -8.856 5.843 -9.114 46 HA THR 6 HA THR 6 -7.803 7.082 -6.736 47 HB THR 6 HB THR 6 -9.647 4.695 -6.370 48 HG1 THR 6 1HG THR 6 -10.272 7.363 -6.545 49 1HG2 THR 6 1HG2 THR 6 -7.878 4.946 -4.688 50 2HG2 THR 6 2HG2 THR 6 -9.471 5.237 -3.992 51 3HG2 THR 6 3HG2 THR 6 -8.414 6.596 -4.370 52 H SER 7 H SER 7 -7.612 5.223 -9.324 53 HA SER 7 HA SER 7 -6.345 2.845 -8.497 54 1HB SER 7 2HB SER 7 -5.514 3.059 -11.010 55 2HB SER 7 1HB SER 7 -7.199 2.687 -10.635 56 HG SER 7 HG SER 7 -6.726 4.479 -12.191 57 H PHE 8 H PHE 8 -5.276 6.086 -8.761 58 HA PHE 8 HA PHE 8 -2.559 5.799 -9.254 59 1HB PHE 8 2HB PHE 8 -3.737 7.974 -9.080 60 2HB PHE 8 1HB PHE 8 -3.878 7.742 -7.342 61 HD1 PHE 8 1HD PHE 8 -2.188 8.472 -5.919 62 HD2 PHE 8 2HD PHE 8 -1.385 8.051 -10.075 63 HE1 PHE 8 1HE PHE 8 0.002 9.552 -5.602 64 HE2 PHE 8 2HE PHE 8 0.803 9.131 -9.767 65 HZ PHE 8 HZ PHE 8 1.501 9.881 -7.531 66 H VAL 9 H VAL 9 -4.383 5.429 -6.255 67 HA VAL 9 HA VAL 9 -2.140 4.968 -4.574 68 HB VAL 9 HB VAL 9 -4.973 3.989 -4.169 69 1HG1 VAL 9 1HG1 VAL 9 -4.414 4.076 -1.780 70 2HG1 VAL 9 2HG1 VAL 9 -2.757 4.518 -2.194 71 3HG1 VAL 9 3HG1 VAL 9 -3.391 2.939 -2.657 72 1HG2 VAL 9 1HG2 VAL 9 -5.323 6.057 -2.889 73 2HG2 VAL 9 2HG2 VAL 9 -4.981 6.376 -4.591 74 3HG2 VAL 9 3HG2 VAL 9 -3.722 6.615 -3.378 75 H LYS 10 H LYS 10 -4.181 2.915 -6.557 76 HA LYS 10 HA LYS 10 -3.189 0.420 -5.647 77 1HB LYS 10 2HB LYS 10 -4.425 1.164 -8.306 78 2HB LYS 10 1HB LYS 10 -4.171 -0.479 -7.733 79 1HG LYS 10 2HG LYS 10 -5.916 1.549 -6.346 80 2HG LYS 10 1HG LYS 10 -6.501 0.336 -7.483 81 1HD LYS 10 2HD LYS 10 -5.005 -0.305 -4.943 82 2HD LYS 10 1HD LYS 10 -6.763 -0.293 -5.080 83 1HE LYS 10 2HE LYS 10 -4.930 -2.011 -6.751 84 2HE LYS 10 1HE LYS 10 -5.744 -2.555 -5.284 85 1HZ LYS 10 1HZ LYS 10 -7.091 -1.605 -7.765 86 2HZ LYS 10 2HZ LYS 10 -7.876 -2.117 -6.350 87 3HZ LYS 10 3HZ LYS 10 -6.961 -3.217 -7.255 88 H ARG 11 H ARG 11 -2.128 2.746 -8.034 89 HA ARG 11 HA ARG 11 -0.123 1.052 -9.192 90 1HB ARG 11 2HB ARG 11 -0.259 4.073 -9.261 91 2HB ARG 11 1HB ARG 11 0.666 3.035 -10.336 92 1HG ARG 11 2HG ARG 11 -2.330 3.282 -10.182 93 2HG ARG 11 1HG ARG 11 -1.278 3.824 -11.487 94 1HD ARG 11 2HD ARG 11 -0.656 1.502 -11.950 95 2HD ARG 11 1HD ARG 11 -1.706 0.961 -10.639 96 HE ARG 11 HE ARG 11 -2.882 2.500 -12.839 97 1HH1 ARG 11 1HH1 ARG 11 -2.556 -0.558 -11.148 98 2HH1 ARG 11 2HH1 ARG 11 -3.887 -1.290 -11.980 99 1HH2 ARG 11 1HH2 ARG 11 -4.632 1.548 -13.905 100 2HH2 ARG 11 2HH2 ARG 11 -5.084 -0.099 -13.541 101 H ILE 12 H ILE 12 -0.276 3.369 -6.567 102 HA ILE 12 HA ILE 12 2.462 3.576 -5.997 103 HB ILE 12 HB ILE 12 0.090 3.705 -4.126 104 1HG1 ILE 12 2HG1 ILE 12 1.762 5.904 -5.371 105 2HG1 ILE 12 1HG1 ILE 12 0.155 5.426 -5.909 106 1HG2 ILE 12 1HG2 ILE 12 1.591 4.819 -2.543 107 2HG2 ILE 12 2HG2 ILE 12 2.952 4.509 -3.620 108 3HG2 ILE 12 3HG2 ILE 12 2.095 3.162 -2.870 109 1HD1 ILE 12 1HD1 ILE 12 0.086 7.435 -4.542 110 2HD1 ILE 12 2HD1 ILE 12 0.836 6.561 -3.206 111 3HD1 ILE 12 3HD1 ILE 12 -0.772 6.105 -3.766 112 H ALA 13 H ALA 13 0.008 1.428 -4.548 113 HA ALA 13 HA ALA 13 1.746 -0.134 -3.016 114 1HB ALA 13 1HB ALA 13 -0.703 -0.169 -2.776 115 2HB ALA 13 2HB ALA 13 -0.034 -1.790 -2.959 116 3HB ALA 13 3HB ALA 13 -0.833 -1.008 -4.322 117 H LYS 14 H LYS 14 0.689 -0.462 -6.358 118 HA LYS 14 HA LYS 14 1.869 -2.849 -7.080 119 1HB LYS 14 2HB LYS 14 0.550 -1.904 -8.729 120 2HB LYS 14 1HB LYS 14 1.240 -0.305 -8.515 121 1HG LYS 14 2HG LYS 14 1.900 -1.112 -10.645 122 2HG LYS 14 1HG LYS 14 3.321 -1.129 -9.604 123 1HD LYS 14 2HD LYS 14 3.001 -3.545 -9.248 124 2HD LYS 14 1HD LYS 14 1.613 -3.506 -10.341 125 1HE LYS 14 2HE LYS 14 3.093 -2.660 -12.130 126 2HE LYS 14 1HE LYS 14 4.465 -2.814 -11.034 127 1HZ LYS 14 1HZ LYS 14 2.753 -5.026 -12.027 128 2HZ LYS 14 2HZ LYS 14 4.017 -5.206 -10.909 129 3HZ LYS 14 3HZ LYS 14 4.350 -4.700 -12.490 130 H GLU 15 H GLU 15 3.352 0.398 -7.266 131 HA GLU 15 HA GLU 15 5.860 -0.642 -8.118 132 1HB GLU 15 2HB GLU 15 5.053 1.637 -8.668 133 2HB GLU 15 1HB GLU 15 5.253 2.089 -6.981 134 1HG GLU 15 2HG GLU 15 7.599 1.869 -7.098 135 2HG GLU 15 1HG GLU 15 7.513 1.050 -8.657 136 H MET 16 H MET 16 4.476 0.052 -4.992 137 HA MET 16 HA MET 16 6.895 0.116 -3.528 138 1HB MET 16 2HB MET 16 4.072 -0.548 -2.700 139 2HB MET 16 1HB MET 16 5.413 -0.486 -1.564 140 1HG MET 16 2HG MET 16 5.794 1.849 -2.114 141 2HG MET 16 1HG MET 16 4.478 1.797 -3.282 142 1HE MET 16 1HE MET 16 5.418 1.530 0.541 143 2HE MET 16 2HE MET 16 4.577 0.017 0.215 144 3HE MET 16 3HE MET 16 3.836 1.236 1.256 145 H ILE 17 H ILE 17 4.655 -2.508 -4.302 146 HA ILE 17 HA ILE 17 6.256 -4.517 -3.012 147 HB ILE 17 HB ILE 17 3.994 -4.830 -4.996 148 1HG1 ILE 17 2HG1 ILE 17 3.960 -4.998 -1.974 149 2HG1 ILE 17 1HG1 ILE 17 3.379 -3.623 -2.906 150 1HG2 ILE 17 1HG2 ILE 17 3.815 -7.113 -4.082 151 2HG2 ILE 17 2HG2 ILE 17 5.272 -6.830 -3.131 152 3HG2 ILE 17 3HG2 ILE 17 5.355 -6.832 -4.893 153 1HD1 ILE 17 1HD1 ILE 17 2.255 -6.412 -2.980 154 2HD1 ILE 17 2HD1 ILE 17 1.676 -5.044 -3.930 155 3HD1 ILE 17 3HD1 ILE 17 1.542 -5.014 -2.173 156 H GLU 18 H GLU 18 6.005 -3.140 -6.199 157 HA GLU 18 HA GLU 18 7.126 -5.218 -7.717 158 1HB GLU 18 2HB GLU 18 5.945 -2.884 -8.320 159 2HB GLU 18 1HB GLU 18 7.619 -2.402 -8.537 160 1HG GLU 18 2HG GLU 18 6.376 -4.775 -9.900 161 2HG GLU 18 1HG GLU 18 6.441 -3.159 -10.599 162 H THR 19 H THR 19 9.046 -6.077 -7.436 163 HA THR 19 HA THR 19 11.303 -6.296 -7.480 164 HB THR 19 HB THR 19 11.376 -3.278 -7.614 165 HG1 THR 19 1HG THR 19 10.481 -4.722 -9.416 166 1HG2 THR 19 1HG2 THR 19 13.470 -4.143 -6.711 167 2HG2 THR 19 2HG2 THR 19 13.705 -3.571 -8.362 168 3HG2 THR 19 3HG2 THR 19 13.581 -5.301 -8.037 169 H HIS 20 H HIS 20 10.062 -3.800 -5.296 170 HA HIS 20 HA HIS 20 12.023 -4.522 -3.257 171 1HB HIS 20 2HB HIS 20 11.663 -2.195 -3.342 172 2HB HIS 20 1HB HIS 20 9.923 -2.378 -3.504 173 HD1 HIS 20 1HD HIS 20 8.554 -2.361 -1.413 174 HD2 HIS 20 2HD HIS 20 12.634 -2.618 -0.638 175 HE1 HIS 20 1HE HIS 20 8.794 -2.033 1.074 176 HE2 HIS 20 2HE HIS 20 11.277 -2.083 1.514 177 HA PRO 21 HA PRO 21 8.762 -7.314 -1.877 178 1HB PRO 21 2HB PRO 21 10.487 -9.367 -1.290 179 2HB PRO 21 1HB PRO 21 9.822 -9.055 -2.894 180 1HG PRO 21 2HG PRO 21 12.549 -8.805 -2.019 181 2HG PRO 21 1HG PRO 21 11.890 -8.542 -3.641 182 1HD PRO 21 2HD PRO 21 12.545 -6.578 -1.534 183 2HD PRO 21 1HD PRO 21 12.414 -6.350 -3.291 184 H GLY 22 H GLY 22 8.158 -6.325 0.028 185 1HA GLY 22 2HA GLY 22 9.817 -6.724 2.400 186 2HA GLY 22 1HA GLY 22 8.296 -5.838 2.331 187 H LYS 23 H LYS 23 6.874 -6.808 3.611 188 HA LYS 23 HA LYS 23 5.397 -8.343 4.375 189 1HB LYS 23 2HB LYS 23 4.971 -8.672 1.962 190 2HB LYS 23 1HB LYS 23 6.206 -9.919 1.923 191 1HG LYS 23 2HG LYS 23 4.817 -11.114 3.692 192 2HG LYS 23 1HG LYS 23 3.529 -9.981 3.274 193 1HD LYS 23 2HD LYS 23 4.936 -11.846 1.362 194 2HD LYS 23 1HD LYS 23 3.325 -12.088 2.036 195 1HE LYS 23 2HE LYS 23 2.506 -10.117 0.909 196 2HE LYS 23 1HE LYS 23 4.129 -9.729 0.336 197 1HZ LYS 23 1HZ LYS 23 4.129 -11.672 -1.033 198 2HZ LYS 23 2HZ LYS 23 2.700 -10.818 -1.352 199 3HZ LYS 23 3HZ LYS 23 2.658 -12.209 -0.378 200 H PHE 24 H PHE 24 7.002 -8.617 6.132 201 HA PHE 24 HA PHE 24 8.381 -11.171 6.155 202 1HB PHE 24 2HB PHE 24 9.260 -9.091 7.313 203 2HB PHE 24 1HB PHE 24 7.940 -9.262 8.466 204 HD1 PHE 24 1HD PHE 24 7.907 -11.123 10.053 205 HD2 PHE 24 2HD PHE 24 11.160 -10.548 7.371 206 HE1 PHE 24 1HE PHE 24 9.285 -12.654 11.400 207 HE2 PHE 24 2HE PHE 24 12.543 -12.076 8.715 208 HZ PHE 24 HZ PHE 24 11.603 -13.133 10.731 209 H THR 25 H THR 25 5.546 -9.632 7.500 210 HA THR 25 HA THR 25 4.214 -12.177 7.750 211 HB THR 25 HB THR 25 4.393 -10.380 10.192 212 HG1 THR 25 1HG THR 25 6.127 -12.271 9.263 213 1HG2 THR 25 1HG2 THR 25 2.356 -11.695 10.128 214 2HG2 THR 25 2HG2 THR 25 3.437 -12.365 11.348 215 3HG2 THR 25 3HG2 THR 25 3.274 -13.160 9.783 216 H ASP 26 H ASP 26 1.814 -11.691 8.380 217 HA ASP 26 HA ASP 26 0.960 -9.461 6.754 218 1HB ASP 26 2HB ASP 26 -1.301 -10.365 7.088 219 2HB ASP 26 1HB ASP 26 -0.181 -11.614 6.559 220 H ASP 27 H ASP 27 2.305 -8.898 9.292 221 HA ASP 27 HA ASP 27 0.200 -7.826 10.998 222 1HB ASP 27 2HB ASP 27 2.137 -9.023 12.015 223 2HB ASP 27 1HB ASP 27 3.201 -7.765 11.401 224 H PHE 28 H PHE 28 0.465 -5.583 11.827 225 HA PHE 28 HA PHE 28 0.447 -3.809 9.614 226 1HB PHE 28 2HB PHE 28 0.248 -3.301 12.584 227 2HB PHE 28 1HB PHE 28 0.035 -2.058 11.357 228 HD1 PHE 28 1HD PHE 28 -1.906 -2.088 9.882 229 HD2 PHE 28 2HD PHE 28 -1.441 -4.957 12.990 230 HE1 PHE 28 1HE PHE 28 -4.284 -2.691 9.680 231 HE2 PHE 28 2HE PHE 28 -3.816 -5.565 12.793 232 HZ PHE 28 HZ PHE 28 -5.241 -4.432 11.136 233 H ASP 29 H ASP 29 2.845 -4.595 12.066 234 HA ASP 29 HA ASP 29 4.465 -2.292 11.734 235 1HB ASP 29 2HB ASP 29 4.708 -3.874 13.629 236 2HB ASP 29 1HB ASP 29 5.346 -5.081 12.520 237 H THR 30 H THR 30 4.164 -5.260 9.943 238 HA THR 30 HA THR 30 6.472 -5.014 8.341 239 HB THR 30 HB THR 30 3.822 -6.342 7.731 240 HG1 THR 30 1HG THR 30 5.799 -6.969 9.414 241 1HG2 THR 30 1HG2 THR 30 5.091 -5.906 5.683 242 2HG2 THR 30 2HG2 THR 30 5.064 -7.630 6.057 243 3HG2 THR 30 3HG2 THR 30 6.508 -6.676 6.394 244 H ASN 31 H ASN 31 3.071 -4.112 7.703 245 HA ASN 31 HA ASN 31 3.518 -2.825 5.251 246 1HB ASN 31 2HB ASN 31 1.309 -3.539 6.396 247 2HB ASN 31 1HB ASN 31 1.393 -1.983 7.212 248 1HD2 ASN 31 1HD2 ASN 31 2.577 -0.629 4.893 249 2HD2 ASN 31 2HD2 ASN 31 1.281 -0.450 3.761 250 H LYS 32 H LYS 32 3.587 -1.689 8.563 251 HA LYS 32 HA LYS 32 3.868 1.022 8.306 252 1HB LYS 32 2HB LYS 32 3.734 0.311 10.481 253 2HB LYS 32 1HB LYS 32 4.841 -1.028 10.232 254 1HG LYS 32 2HG LYS 32 6.704 0.633 10.163 255 2HG LYS 32 1HG LYS 32 5.532 1.874 10.624 256 1HD LYS 32 2HD LYS 32 5.123 0.878 12.706 257 2HD LYS 32 1HD LYS 32 5.844 -0.654 12.213 258 1HE LYS 32 2HE LYS 32 8.051 0.499 12.100 259 2HE LYS 32 1HE LYS 32 7.276 1.943 12.757 260 1HZ LYS 32 1HZ LYS 32 6.745 0.774 14.753 261 2HZ LYS 32 2HZ LYS 32 8.397 0.548 14.450 262 3HZ LYS 32 3HZ LYS 32 7.295 -0.702 14.116 263 H LYS 33 H LYS 33 6.491 -1.396 8.108 264 HA LYS 33 HA LYS 33 8.501 0.578 7.691 265 1HB LYS 33 2HB LYS 33 8.991 -1.671 8.613 266 2HB LYS 33 1HB LYS 33 8.609 -2.373 7.045 267 1HG LYS 33 2HG LYS 33 10.433 -1.071 6.038 268 2HG LYS 33 1HG LYS 33 10.834 -0.432 7.631 269 1HD LYS 33 2HD LYS 33 11.319 -2.692 8.419 270 2HD LYS 33 1HD LYS 33 10.892 -3.343 6.833 271 1HE LYS 33 2HE LYS 33 12.681 -1.935 5.840 272 2HE LYS 33 1HE LYS 33 13.156 -1.454 7.468 273 1HZ LYS 33 1HZ LYS 33 14.503 -3.272 6.535 274 2HZ LYS 33 2HZ LYS 33 13.125 -4.262 6.492 275 3HZ LYS 33 3HZ LYS 33 13.725 -3.705 7.981 276 H LEU 34 H LEU 34 6.575 -1.456 5.550 277 HA LEU 34 HA LEU 34 7.971 -0.998 3.170 278 1HB LEU 34 2HB LEU 34 5.237 -1.883 3.878 279 2HB LEU 34 1HB LEU 34 5.459 -1.280 2.246 280 HG LEU 34 HG LEU 34 7.180 -2.962 1.829 281 1HD1 LEU 34 1HD1 LEU 34 6.603 -3.926 4.625 282 2HD1 LEU 34 2HD1 LEU 34 8.087 -3.139 4.087 283 3HD1 LEU 34 3HD1 LEU 34 7.644 -4.722 3.445 284 1HD2 LEU 34 1HD2 LEU 34 5.752 -4.935 1.864 285 2HD2 LEU 34 2HD2 LEU 34 4.847 -3.506 1.361 286 3HD2 LEU 34 3HD2 LEU 34 4.661 -4.136 2.998 287 H VAL 35 H VAL 35 5.411 0.893 4.716 288 HA VAL 35 HA VAL 35 5.226 2.775 2.559 289 HB VAL 35 HB VAL 35 4.288 3.076 5.421 290 1HG1 VAL 35 1HG1 VAL 35 2.756 4.765 4.480 291 2HG1 VAL 35 2HG1 VAL 35 3.557 4.593 2.918 292 3HG1 VAL 35 3HG1 VAL 35 4.449 5.217 4.305 293 1HG2 VAL 35 1HG2 VAL 35 2.797 2.137 2.973 294 2HG2 VAL 35 2HG2 VAL 35 2.088 2.425 4.564 295 3HG2 VAL 35 3HG2 VAL 35 3.274 1.138 4.345 296 H GLU 36 H GLU 36 6.943 2.584 5.617 297 HA GLU 36 HA GLU 36 7.930 5.213 5.708 298 1HB GLU 36 2HB GLU 36 7.953 3.378 7.518 299 2HB GLU 36 1HB GLU 36 9.412 2.795 6.739 300 1HG GLU 36 2HG GLU 36 9.117 5.602 7.766 301 2HG GLU 36 1HG GLU 36 9.725 4.275 8.749 302 H GLU 37 H GLU 37 9.340 2.224 4.400 303 HA GLU 37 HA GLU 37 11.760 3.351 3.523 304 1HB GLU 37 2HB GLU 37 10.275 0.928 2.508 305 2HB GLU 37 1HB GLU 37 11.923 1.340 2.062 306 1HG GLU 37 2HG GLU 37 12.523 1.187 4.481 307 2HG GLU 37 1HG GLU 37 10.899 0.565 4.775 308 H PHE 38 H PHE 38 8.959 2.384 1.511 309 HA PHE 38 HA PHE 38 10.205 3.900 -0.665 310 1HB PHE 38 2HB PHE 38 9.750 1.399 -0.865 311 2HB PHE 38 1HB PHE 38 8.044 1.814 -0.952 312 HD1 PHE 38 1HD PHE 38 11.277 2.007 -2.652 313 HD2 PHE 38 2HD PHE 38 7.103 2.794 -2.937 314 HE1 PHE 38 1HE PHE 38 11.505 2.329 -5.079 315 HE2 PHE 38 2HE PHE 38 7.324 3.116 -5.365 316 HZ PHE 38 HZ PHE 38 9.527 2.882 -6.440 317 H SER 39 H SER 39 6.830 2.926 -0.352 318 HA SER 39 HA SER 39 4.899 3.974 -0.845 319 1HB SER 39 2HB SER 39 4.383 5.965 0.460 320 2HB SER 39 1HB SER 39 5.273 4.809 1.447 321 HG SER 39 HG SER 39 7.152 6.220 0.507 322 H THR 40 H THR 40 4.022 6.388 -1.433 323 HA THR 40 HA THR 40 5.806 7.746 -3.283 324 HB THR 40 HB THR 40 3.059 6.788 -4.130 325 HG1 THR 40 1HG THR 40 5.532 5.650 -4.275 326 1HG2 THR 40 1HG2 THR 40 3.691 8.968 -5.078 327 2HG2 THR 40 2HG2 THR 40 3.659 7.711 -6.315 328 3HG2 THR 40 3HG2 THR 40 5.200 8.270 -5.663 329 H VAL 41 H VAL 41 5.742 9.786 -2.637 330 HA VAL 41 HA VAL 41 5.111 11.702 -1.596 331 HB VAL 41 HB VAL 41 2.251 10.848 -2.122 332 1HG1 VAL 41 1HG1 VAL 41 1.736 13.228 -1.914 333 2HG1 VAL 41 2HG1 VAL 41 3.427 13.569 -1.547 334 3HG1 VAL 41 3HG1 VAL 41 2.461 12.605 -0.430 335 1HG2 VAL 41 1HG2 VAL 41 3.509 10.943 -4.202 336 2HG2 VAL 41 2HG2 VAL 41 4.098 12.553 -3.791 337 3HG2 VAL 41 3HG2 VAL 41 2.381 12.296 -4.105 338 H SER 42 H SER 42 5.985 10.895 0.316 339 HA SER 42 HA SER 42 4.505 9.194 2.061 340 1HB SER 42 2HB SER 42 7.014 10.800 2.593 341 2HB SER 42 1HB SER 42 6.392 9.494 3.602 342 HG SER 42 HG SER 42 6.538 8.247 1.479 343 H THR 43 H THR 43 2.591 10.214 2.537 344 HA THR 43 HA THR 43 2.663 12.734 3.991 345 HB THR 43 HB THR 43 0.102 12.242 4.070 346 HG1 THR 43 1HG THR 43 0.568 10.749 1.746 347 1HG2 THR 43 1HG2 THR 43 1.126 13.993 2.692 348 2HG2 THR 43 2HG2 THR 43 -0.173 13.182 1.813 349 3HG2 THR 43 3HG2 THR 43 1.511 12.797 1.455 350 H LYS 44 H LYS 44 0.731 12.510 5.872 351 HA LYS 44 HA LYS 44 2.044 10.649 7.717 352 1HB LYS 44 2HB LYS 44 2.062 13.097 8.235 353 2HB LYS 44 1HB LYS 44 0.312 13.023 8.402 354 1HG LYS 44 2HG LYS 44 0.501 11.516 10.263 355 2HG LYS 44 1HG LYS 44 2.248 11.402 10.040 356 1HD LYS 44 2HD LYS 44 2.378 13.863 10.453 357 2HD LYS 44 1HD LYS 44 0.664 13.825 10.875 358 1HE LYS 44 2HE LYS 44 1.113 12.256 12.667 359 2HE LYS 44 1HE LYS 44 2.818 12.204 12.223 360 1HZ LYS 44 1HZ LYS 44 2.924 14.605 12.718 361 2HZ LYS 44 2HZ LYS 44 2.539 13.662 14.070 362 3HZ LYS 44 3HZ LYS 44 1.326 14.539 13.280 363 H HIS 45 H HIS 45 -1.246 11.955 7.161 364 HA HIS 45 HA HIS 45 -2.380 9.844 8.764 365 1HB HIS 45 2HB HIS 45 -3.219 12.358 8.176 366 2HB HIS 45 1HB HIS 45 -4.188 11.424 7.040 367 HD1 HIS 45 1HD HIS 45 -4.956 12.966 9.876 368 HD2 HIS 45 2HD HIS 45 -4.914 8.890 9.028 369 HE1 HIS 45 1HE HIS 45 -6.495 11.905 11.558 370 HE2 HIS 45 2HE HIS 45 -6.283 9.423 11.167 371 H LEU 46 H LEU 46 -1.907 10.486 5.364 372 HA LEU 46 HA LEU 46 -3.672 8.440 4.432 373 1HB LEU 46 2HB LEU 46 -1.441 9.951 3.085 374 2HB LEU 46 1HB LEU 46 -2.384 8.725 2.266 375 HG LEU 46 HG LEU 46 -4.436 10.117 2.778 376 1HD1 LEU 46 1HD1 LEU 46 -4.069 12.503 3.210 377 2HD1 LEU 46 2HD1 LEU 46 -2.350 12.187 3.454 378 3HD1 LEU 46 3HD1 LEU 46 -3.539 11.500 4.561 379 1HD2 LEU 46 1HD2 LEU 46 -3.411 10.033 0.571 380 2HD2 LEU 46 2HD2 LEU 46 -2.293 11.318 1.031 381 3HD2 LEU 46 3HD2 LEU 46 -4.022 11.651 0.922 382 H ARG 47 H ARG 47 -0.507 8.496 5.693 383 HA ARG 47 HA ARG 47 0.654 6.207 4.599 384 1HB ARG 47 2HB ARG 47 1.894 7.706 6.039 385 2HB ARG 47 1HB ARG 47 0.817 7.370 7.384 386 1HG ARG 47 2HG ARG 47 1.617 4.967 7.235 387 2HG ARG 47 1HG ARG 47 2.879 5.572 6.157 388 1HD ARG 47 2HD ARG 47 3.690 5.452 8.449 389 2HD ARG 47 1HD ARG 47 3.617 7.126 7.898 390 HE ARG 47 HE ARG 47 1.404 6.014 9.480 391 1HH1 ARG 47 1HH1 ARG 47 3.999 8.335 9.099 392 2HH1 ARG 47 2HH1 ARG 47 3.556 9.257 10.505 393 1HH2 ARG 47 1HH2 ARG 47 0.797 7.222 11.311 394 2HH2 ARG 47 2HH2 ARG 47 1.718 8.623 11.765 395 H ASN 48 H ASN 48 -1.573 6.601 7.299 396 HA ASN 48 HA ASN 48 -1.626 3.842 8.012 397 1HB ASN 48 2HB ASN 48 -3.475 6.131 8.719 398 2HB ASN 48 1HB ASN 48 -3.585 4.520 9.419 399 1HD2 ASN 48 1HD2 ASN 48 -3.214 5.348 11.482 400 2HD2 ASN 48 2HD2 ASN 48 -1.638 5.858 11.997 401 H LYS 49 H LYS 49 -3.316 5.808 5.726 402 HA LYS 49 HA LYS 49 -5.488 4.024 5.250 403 1HB LYS 49 2HB LYS 49 -4.235 6.143 3.494 404 2HB LYS 49 1HB LYS 49 -5.685 5.246 3.073 405 1HG LYS 49 2HG LYS 49 -6.865 6.183 4.958 406 2HG LYS 49 1HG LYS 49 -5.403 7.021 5.488 407 1HD LYS 49 2HD LYS 49 -5.391 8.357 3.477 408 2HD LYS 49 1HD LYS 49 -6.757 7.451 2.825 409 1HE LYS 49 2HE LYS 49 -6.831 9.106 5.343 410 2HE LYS 49 1HE LYS 49 -7.384 9.655 3.759 411 1HZ LYS 49 1HZ LYS 49 -8.493 7.377 5.318 412 2HZ LYS 49 2HZ LYS 49 -8.984 7.816 3.758 413 3HZ LYS 49 3HZ LYS 49 -9.239 8.880 5.054 414 H ILE 50 H ILE 50 -2.355 4.568 3.678 415 HA ILE 50 HA ILE 50 -2.566 2.508 1.767 416 HB ILE 50 HB ILE 50 -0.054 3.593 3.064 417 1HG1 ILE 50 2HG1 ILE 50 -1.465 4.484 0.539 418 2HG1 ILE 50 1HG1 ILE 50 -1.462 5.362 2.064 419 1HG2 ILE 50 1HG2 ILE 50 -0.423 2.210 0.411 420 2HG2 ILE 50 2HG2 ILE 50 0.293 1.490 1.855 421 3HG2 ILE 50 3HG2 ILE 50 1.089 2.847 1.057 422 1HD1 ILE 50 1HD1 ILE 50 0.970 4.755 0.394 423 2HD1 ILE 50 2HD1 ILE 50 0.935 5.697 1.886 424 3HD1 ILE 50 3HD1 ILE 50 0.114 6.298 0.444 425 H ALA 51 H ALA 51 -1.551 2.569 5.124 426 HA ALA 51 HA ALA 51 -0.497 -0.033 5.293 427 1HB ALA 51 1HB ALA 51 -0.165 1.666 7.035 428 2HB ALA 51 2HB ALA 51 -0.801 0.159 7.693 429 3HB ALA 51 3HB ALA 51 -1.869 1.545 7.470 430 H GLY 52 H GLY 52 -3.796 1.180 5.571 431 1HA GLY 52 2HA GLY 52 -4.965 -1.291 6.331 432 2HA GLY 52 1HA GLY 52 -5.806 0.064 5.589 433 H TYR 53 H TYR 53 -4.379 0.229 3.203 434 HA TYR 53 HA TYR 53 -5.687 -1.668 1.607 435 1HB TYR 53 2HB TYR 53 -3.634 0.432 1.155 436 2HB TYR 53 1HB TYR 53 -3.797 -0.807 -0.084 437 HD1 TYR 53 1HD TYR 53 -5.428 2.031 1.571 438 HD2 TYR 53 2HD TYR 53 -5.794 -0.962 -1.426 439 HE1 TYR 53 1HE TYR 53 -7.343 3.238 0.606 440 HE2 TYR 53 2HE TYR 53 -7.704 0.234 -2.403 441 HH TYR 53 HH TYR 53 -8.548 3.426 -1.463 442 H ILE 54 H ILE 54 -2.180 -1.356 2.241 443 HA ILE 54 HA ILE 54 -1.514 -3.621 0.727 444 HB ILE 54 HB ILE 54 0.096 -2.327 2.927 445 1HG1 ILE 54 2HG1 ILE 54 0.128 -1.973 -0.079 446 2HG1 ILE 54 1HG1 ILE 54 -0.491 -0.810 1.087 447 1HG2 ILE 54 1HG2 ILE 54 0.968 -4.230 0.748 448 2HG2 ILE 54 2HG2 ILE 54 0.883 -4.595 2.471 449 3HG2 ILE 54 3HG2 ILE 54 2.036 -3.400 1.880 450 1HD1 ILE 54 1HD1 ILE 54 2.369 -1.708 0.832 451 2HD1 ILE 54 2HD1 ILE 54 1.753 -0.550 2.013 452 3HD1 ILE 54 3HD1 ILE 54 1.703 -0.169 0.292 453 H THR 55 H THR 55 -1.924 -3.338 4.295 454 HA THR 55 HA THR 55 -1.304 -5.958 4.936 455 HB THR 55 HB THR 55 -2.980 -5.735 6.822 456 HG1 THR 55 1HG THR 55 -3.177 -3.016 6.091 457 1HG2 THR 55 1HG2 THR 55 -0.625 -5.122 7.089 458 2HG2 THR 55 2HG2 THR 55 -1.675 -4.044 8.008 459 3HG2 THR 55 3HG2 THR 55 -0.978 -3.502 6.482 460 H ARG 56 H ARG 56 -4.481 -4.688 3.894 461 HA ARG 56 HA ARG 56 -5.843 -7.145 3.949 462 1HB ARG 56 2HB ARG 56 -6.315 -4.506 2.833 463 2HB ARG 56 1HB ARG 56 -6.908 -5.773 1.767 464 1HG ARG 56 2HG ARG 56 -8.743 -5.384 3.079 465 2HG ARG 56 1HG ARG 56 -7.982 -6.724 3.934 466 1HD ARG 56 2HD ARG 56 -8.582 -5.166 5.596 467 2HD ARG 56 1HD ARG 56 -6.844 -4.972 5.371 468 HE ARG 56 HE ARG 56 -7.269 -2.948 4.164 469 1HH1 ARG 56 1HH1 ARG 56 -10.024 -4.324 5.829 470 2HH1 ARG 56 2HH1 ARG 56 -10.967 -2.865 5.755 471 1HH2 ARG 56 1HH2 ARG 56 -8.501 -0.993 4.093 472 2HH2 ARG 56 2HH2 ARG 56 -10.087 -0.961 4.809 473 H ILE 57 H ILE 57 -3.942 -5.600 1.408 474 HA ILE 57 HA ILE 57 -4.384 -7.518 -0.605 475 HB ILE 57 HB ILE 57 -2.004 -5.693 -0.208 476 1HG1 ILE 57 2HG1 ILE 57 -4.462 -5.398 -1.944 477 2HG1 ILE 57 1HG1 ILE 57 -4.189 -4.550 -0.427 478 1HG2 ILE 57 1HG2 ILE 57 -1.558 -6.036 -2.591 479 2HG2 ILE 57 2HG2 ILE 57 -2.878 -7.202 -2.672 480 3HG2 ILE 57 3HG2 ILE 57 -1.452 -7.553 -1.695 481 1HD1 ILE 57 1HD1 ILE 57 -3.723 -3.102 -2.293 482 2HD1 ILE 57 2HD1 ILE 57 -2.574 -4.268 -2.951 483 3HD1 ILE 57 3HD1 ILE 57 -2.228 -3.453 -1.424 484 H ILE 58 H ILE 58 -1.940 -7.317 1.952 485 HA ILE 58 HA ILE 58 -0.306 -9.436 1.132 486 HB ILE 58 HB ILE 58 -0.908 -8.470 3.936 487 1HG1 ILE 58 2HG1 ILE 58 1.433 -7.925 2.093 488 2HG1 ILE 58 1HG1 ILE 58 0.128 -6.795 2.444 489 1HG2 ILE 58 1HG2 ILE 58 1.306 -10.289 2.988 490 2HG2 ILE 58 2HG2 ILE 58 -0.065 -10.757 3.996 491 3HG2 ILE 58 3HG2 ILE 58 1.140 -9.627 4.616 492 1HD1 ILE 58 1HD1 ILE 58 2.132 -7.868 4.418 493 2HD1 ILE 58 2HD1 ILE 58 0.811 -6.765 4.797 494 3HD1 ILE 58 3HD1 ILE 58 2.108 -6.249 3.721 495 H SER 59 H SER 59 -3.059 -9.461 3.396 496 HA SER 59 HA SER 59 -2.993 -12.242 3.844 497 1HB SER 59 2HB SER 59 -5.334 -11.906 4.707 498 2HB SER 59 1HB SER 59 -4.124 -10.845 5.426 499 HG SER 59 HG SER 59 -5.035 -9.572 3.319 500 H GLN 60 H GLN 60 -4.222 -10.384 1.224 501 HA GLN 60 HA GLN 60 -6.022 -12.443 0.270 502 1HB GLN 60 2HB GLN 60 -6.435 -9.988 -0.024 503 2HB GLN 60 1HB GLN 60 -5.071 -9.937 -1.130 504 1HG GLN 60 2HG GLN 60 -7.104 -10.028 -2.387 505 2HG GLN 60 1HG GLN 60 -6.237 -11.547 -2.593 506 1HE2 GLN 60 1HE2 GLN 60 -8.966 -9.980 -1.121 507 2HE2 GLN 60 2HE2 GLN 60 -9.861 -11.418 -0.765 508 H GLN 61 H GLN 61 -2.993 -10.957 -0.797 509 HA GLN 61 HA GLN 61 -2.700 -12.583 -3.109 510 1HB GLN 61 2HB GLN 61 -1.751 -10.393 -3.104 511 2HB GLN 61 1HB GLN 61 -0.838 -10.721 -1.639 512 1HG GLN 61 2HG GLN 61 0.490 -12.391 -2.909 513 2HG GLN 61 1HG GLN 61 -0.364 -11.891 -4.369 514 1HE2 GLN 61 1HE2 GLN 61 0.071 -9.883 -5.264 515 2HE2 GLN 61 2HE2 GLN 61 1.442 -8.941 -4.806 516 H LYS 62 H LYS 62 -1.491 -12.773 0.174 517 HA LYS 62 HA LYS 62 -0.292 -14.315 1.319 518 1HB LYS 62 2HB LYS 62 -0.554 -16.079 -1.130 519 2HB LYS 62 1HB LYS 62 0.013 -16.587 0.453 520 1HG LYS 62 2HG LYS 62 -2.759 -15.622 -0.222 521 2HG LYS 62 1HG LYS 62 -2.272 -17.290 0.079 522 1HD LYS 62 2HD LYS 62 -1.591 -16.623 2.372 523 2HD LYS 62 1HD LYS 62 -2.228 -15.008 2.049 524 1HE LYS 62 2HE LYS 62 -3.775 -17.596 2.063 525 2HE LYS 62 1HE LYS 62 -3.875 -16.300 3.255 526 1HZ LYS 62 1HZ LYS 62 -4.591 -16.010 0.390 527 2HZ LYS 62 2HZ LYS 62 -4.797 -14.845 1.603 528 3HZ LYS 62 3HZ LYS 62 -5.709 -16.275 1.636 Start of MODEL 12 1 1H MET 1 1HT MET 1 -23.619 -2.230 -11.745 2 2H MET 1 2HT MET 1 -24.559 -3.434 -12.478 3 3H MET 1 3HT MET 1 -24.788 -1.806 -12.900 4 HA MET 1 HA MET 1 -23.551 -3.102 -14.570 5 1HB MET 1 2HB MET 1 -21.826 -1.433 -14.941 6 2HB MET 1 1HB MET 1 -23.291 -0.645 -14.377 7 1HG MET 1 2HG MET 1 -22.345 -0.475 -12.136 8 2HG MET 1 1HG MET 1 -20.879 -1.277 -12.692 9 1HE MET 1 1HE MET 1 -19.413 0.702 -11.733 10 2HE MET 1 2HE MET 1 -20.868 1.528 -11.171 11 3HE MET 1 3HE MET 1 -19.675 2.401 -12.127 12 H GLY 2 H GLY 2 -21.126 -3.597 -15.075 13 1HA GLY 2 2HA GLY 2 -20.296 -5.638 -13.247 14 2HA GLY 2 1HA GLY 2 -19.437 -5.121 -14.694 15 H ASN 3 H ASN 3 -18.464 -5.739 -11.967 16 HA ASN 3 HA ASN 3 -17.479 -3.155 -11.035 17 1HB ASN 3 2HB ASN 3 -18.220 -4.926 -9.424 18 2HB ASN 3 1HB ASN 3 -16.873 -5.922 -9.966 19 1HD2 ASN 3 1HD2 ASN 3 -17.821 -3.100 -8.201 20 2HD2 ASN 3 2HD2 ASN 3 -16.310 -2.828 -7.407 21 H ILE 4 H ILE 4 -15.550 -2.345 -11.598 22 HA ILE 4 HA ILE 4 -13.395 -4.066 -12.443 23 HB ILE 4 HB ILE 4 -14.681 -3.949 -14.512 24 1HG1 ILE 4 2HG1 ILE 4 -12.188 -2.232 -14.613 25 2HG1 ILE 4 1HG1 ILE 4 -12.239 -3.991 -14.691 26 1HG2 ILE 4 1HG2 ILE 4 -15.100 -1.837 -15.652 27 2HG2 ILE 4 2HG2 ILE 4 -14.395 -0.958 -14.296 28 3HG2 ILE 4 3HG2 ILE 4 -15.884 -1.875 -14.072 29 1HD1 ILE 4 1HD1 ILE 4 -13.427 -2.115 -16.722 30 2HD1 ILE 4 2HD1 ILE 4 -13.417 -3.877 -16.806 31 3HD1 ILE 4 3HD1 ILE 4 -11.901 -2.981 -16.880 32 H ARG 5 H ARG 5 -11.426 -3.107 -12.371 33 HA ARG 5 HA ARG 5 -9.785 -1.567 -12.294 34 1HB ARG 5 2HB ARG 5 -11.008 -0.244 -13.921 35 2HB ARG 5 1HB ARG 5 -11.974 0.478 -12.643 36 1HG ARG 5 2HG ARG 5 -10.121 1.671 -11.786 37 2HG ARG 5 1HG ARG 5 -8.984 0.755 -12.778 38 1HD ARG 5 2HD ARG 5 -11.127 2.583 -13.857 39 2HD ARG 5 1HD ARG 5 -9.437 3.036 -13.641 40 HE ARG 5 HE ARG 5 -8.945 1.154 -15.246 41 1HH1 ARG 5 1HH1 ARG 5 -12.029 2.828 -15.277 42 2HH1 ARG 5 2HH1 ARG 5 -12.312 2.529 -16.972 43 1HH2 ARG 5 1HH2 ARG 5 -9.312 0.762 -17.448 44 2HH2 ARG 5 2HH2 ARG 5 -10.770 1.344 -18.207 45 H THR 6 H THR 6 -8.659 -1.022 -10.672 46 HA THR 6 HA THR 6 -9.552 0.617 -8.490 47 HB THR 6 HB THR 6 -8.553 -1.287 -6.892 48 HG1 THR 6 1HG THR 6 -10.023 -3.147 -8.131 49 1HG2 THR 6 1HG2 THR 6 -10.836 -1.950 -6.306 50 2HG2 THR 6 2HG2 THR 6 -11.431 -1.257 -7.814 51 3HG2 THR 6 3HG2 THR 6 -10.724 -0.214 -6.580 52 H SER 7 H SER 7 -7.663 0.445 -10.689 53 HA SER 7 HA SER 7 -5.159 -0.574 -9.807 54 1HB SER 7 2HB SER 7 -5.580 1.139 -12.239 55 2HB SER 7 1HB SER 7 -4.472 -0.219 -12.018 56 HG SER 7 HG SER 7 -6.013 -1.321 -12.950 57 H PHE 8 H PHE 8 -6.664 2.556 -9.648 58 HA PHE 8 HA PHE 8 -4.299 4.112 -9.820 59 1HB PHE 8 2HB PHE 8 -6.985 4.712 -8.583 60 2HB PHE 8 1HB PHE 8 -5.679 5.890 -8.658 61 HD1 PHE 8 1HD PHE 8 -8.624 5.340 -10.057 62 HD2 PHE 8 2HD PHE 8 -4.558 5.570 -11.280 63 HE1 PHE 8 1HE PHE 8 -9.346 5.973 -12.324 64 HE2 PHE 8 2HE PHE 8 -5.270 6.202 -13.547 65 HZ PHE 8 HZ PHE 8 -7.667 6.405 -14.073 66 H VAL 9 H VAL 9 -6.225 3.294 -6.929 67 HA VAL 9 HA VAL 9 -4.217 4.101 -5.097 68 HB VAL 9 HB VAL 9 -6.496 2.159 -4.643 69 1HG1 VAL 9 1HG1 VAL 9 -6.277 2.776 -2.281 70 2HG1 VAL 9 2HG1 VAL 9 -4.870 3.767 -2.672 71 3HG1 VAL 9 3HG1 VAL 9 -4.809 2.019 -2.898 72 1HG2 VAL 9 1HG2 VAL 9 -7.705 4.111 -3.752 73 2HG2 VAL 9 2HG2 VAL 9 -7.327 4.275 -5.466 74 3HG2 VAL 9 3HG2 VAL 9 -6.374 5.149 -4.268 75 H LYS 10 H LYS 10 -4.972 1.084 -6.685 76 HA LYS 10 HA LYS 10 -3.378 -0.630 -5.104 77 1HB LYS 10 2HB LYS 10 -5.254 -1.212 -6.738 78 2HB LYS 10 1HB LYS 10 -4.064 -1.014 -8.015 79 1HG LYS 10 2HG LYS 10 -2.795 -2.852 -7.248 80 2HG LYS 10 1HG LYS 10 -3.696 -2.928 -5.729 81 1HD LYS 10 2HD LYS 10 -5.729 -3.513 -6.976 82 2HD LYS 10 1HD LYS 10 -4.816 -3.452 -8.484 83 1HE LYS 10 2HE LYS 10 -4.161 -5.298 -6.195 84 2HE LYS 10 1HE LYS 10 -5.179 -5.750 -7.560 85 1HZ LYS 10 1HZ LYS 10 -3.345 -5.364 -9.050 86 2HZ LYS 10 2HZ LYS 10 -2.877 -6.463 -7.843 87 3HZ LYS 10 3HZ LYS 10 -2.361 -4.852 -7.771 88 H ARG 11 H ARG 11 -2.710 1.374 -7.919 89 HA ARG 11 HA ARG 11 -0.095 0.337 -8.405 90 1HB ARG 11 2HB ARG 11 -1.364 1.470 -10.159 91 2HB ARG 11 1HB ARG 11 -1.355 2.959 -9.229 92 1HG ARG 11 2HG ARG 11 1.051 3.130 -9.480 93 2HG ARG 11 1HG ARG 11 1.086 1.589 -10.340 94 1HD ARG 11 2HD ARG 11 -0.420 4.038 -11.251 95 2HD ARG 11 1HD ARG 11 1.171 3.561 -11.840 96 HE ARG 11 HE ARG 11 -0.132 1.381 -12.440 97 1HH1 ARG 11 1HH1 ARG 11 -1.290 4.678 -12.736 98 2HH1 ARG 11 2HH1 ARG 11 -2.333 4.325 -14.081 99 1HH2 ARG 11 1HH2 ARG 11 -1.489 0.919 -14.211 100 2HH2 ARG 11 2HH2 ARG 11 -2.463 2.185 -14.900 101 H ILE 12 H ILE 12 -1.392 3.001 -6.501 102 HA ILE 12 HA ILE 12 0.985 4.296 -5.826 103 HB ILE 12 HB ILE 12 -1.439 3.895 -4.060 104 1HG1 ILE 12 2HG1 ILE 12 -0.741 6.171 -5.927 105 2HG1 ILE 12 1HG1 ILE 12 -1.939 4.926 -6.262 106 1HG2 ILE 12 1HG2 ILE 12 -0.685 5.909 -2.895 107 2HG2 ILE 12 2HG2 ILE 12 0.751 5.968 -3.918 108 3HG2 ILE 12 3HG2 ILE 12 0.520 4.624 -2.798 109 1HD1 ILE 12 1HD1 ILE 12 -2.999 6.969 -5.520 110 2HD1 ILE 12 2HD1 ILE 12 -2.055 6.940 -4.031 111 3HD1 ILE 12 3HD1 ILE 12 -3.249 5.680 -4.343 112 H ALA 13 H ALA 13 -0.680 1.640 -4.146 113 HA ALA 13 HA ALA 13 1.296 1.240 -2.174 114 1HB ALA 13 1HB ALA 13 0.209 -0.895 -1.756 115 2HB ALA 13 2HB ALA 13 -0.665 -0.769 -3.282 116 3HB ALA 13 3HB ALA 13 -0.995 0.373 -1.980 117 H LYS 14 H LYS 14 0.834 -0.106 -5.390 118 HA LYS 14 HA LYS 14 2.826 -2.094 -5.245 119 1HB LYS 14 2HB LYS 14 0.941 -1.888 -6.931 120 2HB LYS 14 1HB LYS 14 1.907 -0.668 -7.744 121 1HG LYS 14 2HG LYS 14 3.134 -3.324 -7.214 122 2HG LYS 14 1HG LYS 14 1.933 -3.186 -8.496 123 1HD LYS 14 2HD LYS 14 3.254 -1.457 -9.580 124 2HD LYS 14 1HD LYS 14 4.438 -1.515 -8.269 125 1HE LYS 14 2HE LYS 14 5.021 -3.782 -8.833 126 2HE LYS 14 1HE LYS 14 3.735 -3.855 -10.036 127 1HZ LYS 14 1HZ LYS 14 6.087 -2.034 -10.165 128 2HZ LYS 14 2HZ LYS 14 4.880 -2.220 -11.349 129 3HZ LYS 14 3HZ LYS 14 5.937 -3.498 -11.008 130 H GLU 15 H GLU 15 2.927 1.318 -6.090 131 HA GLU 15 HA GLU 15 5.567 1.308 -7.147 132 1HB GLU 15 2HB GLU 15 3.876 3.083 -7.583 133 2HB GLU 15 1HB GLU 15 4.044 3.608 -5.914 134 1HG GLU 15 2HG GLU 15 6.375 4.158 -6.299 135 2HG GLU 15 1HG GLU 15 6.247 3.589 -7.962 136 H MET 16 H MET 16 4.221 1.768 -3.938 137 HA MET 16 HA MET 16 6.654 2.536 -2.666 138 1HB MET 16 2HB MET 16 4.512 3.039 -1.649 139 2HB MET 16 1HB MET 16 4.111 1.331 -1.561 140 1HG MET 16 2HG MET 16 5.867 0.963 0.051 141 2HG MET 16 1HG MET 16 6.384 2.641 -0.091 142 1HE MET 16 1HE MET 16 5.016 4.702 0.789 143 2HE MET 16 2HE MET 16 3.394 4.587 1.473 144 3HE MET 16 3HE MET 16 3.661 4.224 -0.233 145 H ILE 17 H ILE 17 4.979 -0.556 -3.112 146 HA ILE 17 HA ILE 17 6.897 -2.068 -1.605 147 HB ILE 17 HB ILE 17 4.831 -3.086 -3.578 148 1HG1 ILE 17 2HG1 ILE 17 4.604 -2.719 -0.582 149 2HG1 ILE 17 1HG1 ILE 17 3.841 -1.686 -1.787 150 1HG2 ILE 17 1HG2 ILE 17 4.967 -5.178 -2.313 151 2HG2 ILE 17 2HG2 ILE 17 6.229 -4.485 -1.294 152 3HG2 ILE 17 3HG2 ILE 17 6.529 -4.752 -3.012 153 1HD1 ILE 17 1HD1 ILE 17 2.258 -3.271 -0.858 154 2HD1 ILE 17 2HD1 ILE 17 3.287 -4.615 -1.357 155 3HD1 ILE 17 3HD1 ILE 17 2.526 -3.588 -2.573 156 H GLU 18 H GLU 18 7.101 -0.615 -4.558 157 HA GLU 18 HA GLU 18 8.242 -2.608 -6.196 158 1HB GLU 18 2HB GLU 18 7.292 -0.386 -6.933 159 2HB GLU 18 1HB GLU 18 8.772 0.358 -6.350 160 1HG GLU 18 2HG GLU 18 9.063 0.090 -8.655 161 2HG GLU 18 1HG GLU 18 10.016 -1.192 -7.907 162 H THR 19 H THR 19 10.215 -3.427 -6.304 163 HA THR 19 HA THR 19 12.479 -3.559 -6.364 164 HB THR 19 HB THR 19 12.524 -0.769 -5.204 165 HG1 THR 19 1HG THR 19 11.588 -1.346 -7.450 166 1HG2 THR 19 1HG2 THR 19 14.824 -0.688 -6.010 167 2HG2 THR 19 2HG2 THR 19 14.694 -2.342 -6.606 168 3HG2 THR 19 3HG2 THR 19 14.629 -2.024 -4.874 169 H HIS 20 H HIS 20 11.720 -1.766 -3.320 170 HA HIS 20 HA HIS 20 13.815 -3.375 -2.081 171 1HB HIS 20 2HB HIS 20 13.407 -0.749 -1.860 172 2HB HIS 20 1HB HIS 20 12.426 -1.278 -0.497 173 HD1 HIS 20 1HD HIS 20 15.504 0.112 -0.838 174 HD2 HIS 20 2HD HIS 20 14.346 -3.534 0.806 175 HE1 HIS 20 1HE HIS 20 17.354 -0.548 0.721 176 HE2 HIS 20 2HE HIS 20 16.756 -2.869 1.486 177 HA PRO 21 HA PRO 21 10.160 -4.342 1.007 178 1HB PRO 21 2HB PRO 21 7.834 -3.689 -0.719 179 2HB PRO 21 1HB PRO 21 8.049 -3.453 1.018 180 1HG PRO 21 2HG PRO 21 8.157 -1.374 -0.618 181 2HG PRO 21 1HG PRO 21 9.305 -1.512 0.730 182 1HD PRO 21 2HD PRO 21 9.720 -2.119 -2.183 183 2HD PRO 21 1HD PRO 21 10.785 -1.249 -1.057 184 H GLY 22 H GLY 22 9.775 -6.477 1.093 185 1HA GLY 22 2HA GLY 22 9.511 -7.887 -1.477 186 2HA GLY 22 1HA GLY 22 10.213 -8.565 -0.020 187 H LYS 23 H LYS 23 7.626 -7.024 1.109 188 HA LYS 23 HA LYS 23 5.826 -7.863 2.224 189 1HB LYS 23 2HB LYS 23 3.932 -8.433 0.764 190 2HB LYS 23 1HB LYS 23 4.783 -6.997 0.218 191 1HG LYS 23 2HG LYS 23 5.762 -8.171 -1.597 192 2HG LYS 23 1HG LYS 23 5.234 -9.727 -0.960 193 1HD LYS 23 2HD LYS 23 2.883 -9.001 -1.278 194 2HD LYS 23 1HD LYS 23 3.482 -7.522 -2.034 195 1HE LYS 23 2HE LYS 23 4.561 -8.815 -3.777 196 2HE LYS 23 1HE LYS 23 4.070 -10.321 -3.003 197 1HZ LYS 23 1HZ LYS 23 2.655 -9.685 -4.895 198 2HZ LYS 23 2HZ LYS 23 2.190 -8.280 -4.068 199 3HZ LYS 23 3HZ LYS 23 1.782 -9.805 -3.445 200 H PHE 24 H PHE 24 6.715 -9.512 3.479 201 HA PHE 24 HA PHE 24 6.105 -12.208 2.496 202 1HB PHE 24 2HB PHE 24 8.136 -13.001 3.786 203 2HB PHE 24 1HB PHE 24 8.461 -12.088 2.318 204 HD1 PHE 24 1HD PHE 24 8.729 -12.151 5.946 205 HD2 PHE 24 2HD PHE 24 9.358 -9.812 2.441 206 HE1 PHE 24 1HE PHE 24 10.167 -10.624 7.227 207 HE2 PHE 24 2HE PHE 24 10.798 -8.282 3.721 208 HZ PHE 24 HZ PHE 24 11.207 -8.690 6.115 209 H THR 25 H THR 25 5.273 -9.985 4.707 210 HA THR 25 HA THR 25 4.295 -12.055 6.525 211 HB THR 25 HB THR 25 5.456 -9.468 7.585 212 HG1 THR 25 1HG THR 25 6.635 -12.076 7.520 213 1HG2 THR 25 1HG2 THR 25 4.670 -12.034 8.983 214 2HG2 THR 25 2HG2 THR 25 3.737 -10.536 8.992 215 3HG2 THR 25 3HG2 THR 25 5.327 -10.589 9.754 216 H ASP 26 H ASP 26 2.299 -11.534 7.509 217 HA ASP 26 HA ASP 26 0.879 -9.361 6.138 218 1HB ASP 26 2HB ASP 26 -1.166 -10.641 6.588 219 2HB ASP 26 1HB ASP 26 0.014 -11.623 5.728 220 H ASP 27 H ASP 27 2.502 -8.974 8.561 221 HA ASP 27 HA ASP 27 0.447 -8.379 10.574 222 1HB ASP 27 2HB ASP 27 2.498 -9.648 11.269 223 2HB ASP 27 1HB ASP 27 3.461 -8.232 10.862 224 H PHE 28 H PHE 28 0.585 -6.240 11.675 225 HA PHE 28 HA PHE 28 0.659 -4.171 9.712 226 1HB PHE 28 2HB PHE 28 0.122 -4.196 12.669 227 2HB PHE 28 1HB PHE 28 0.221 -2.685 11.770 228 HD1 PHE 28 1HD PHE 28 -1.514 -2.018 10.275 229 HD2 PHE 28 2HD PHE 28 -1.671 -5.802 12.208 230 HE1 PHE 28 1HE PHE 28 -3.863 -2.265 9.588 231 HE2 PHE 28 2HE PHE 28 -4.020 -6.060 11.525 232 HZ PHE 28 HZ PHE 28 -5.119 -4.288 10.213 233 H ASP 29 H ASP 29 2.948 -5.358 12.041 234 HA ASP 29 HA ASP 29 4.637 -3.067 12.081 235 1HB ASP 29 2HB ASP 29 4.821 -4.905 13.724 236 2HB ASP 29 1HB ASP 29 5.375 -5.980 12.444 237 H THR 30 H THR 30 4.129 -5.684 9.876 238 HA THR 30 HA THR 30 6.450 -5.448 8.308 239 HB THR 30 HB THR 30 3.735 -6.347 7.343 240 HG1 THR 30 1HG THR 30 5.753 -7.768 8.793 241 1HG2 THR 30 1HG2 THR 30 6.542 -7.099 6.522 242 2HG2 THR 30 2HG2 THR 30 5.422 -6.105 5.591 243 3HG2 THR 30 3HG2 THR 30 5.066 -7.811 5.874 244 H ASN 31 H ASN 31 3.159 -4.094 7.831 245 HA ASN 31 HA ASN 31 3.893 -2.765 5.442 246 1HB ASN 31 2HB ASN 31 1.752 -1.633 5.528 247 2HB ASN 31 1HB ASN 31 1.546 -3.327 5.930 248 1HD2 ASN 31 1HD2 ASN 31 -0.364 -3.073 6.993 249 2HD2 ASN 31 2HD2 ASN 31 -0.505 -2.250 8.507 250 H LYS 32 H LYS 32 4.058 -1.874 8.791 251 HA LYS 32 HA LYS 32 4.626 0.865 8.502 252 1HB LYS 32 2HB LYS 32 4.139 -0.256 10.657 253 2HB LYS 32 1HB LYS 32 5.681 -1.091 10.558 254 1HG LYS 32 2HG LYS 32 6.543 1.429 10.340 255 2HG LYS 32 1HG LYS 32 5.078 1.703 11.285 256 1HD LYS 32 2HD LYS 32 6.887 1.370 12.814 257 2HD LYS 32 1HD LYS 32 5.867 -0.071 12.865 258 1HE LYS 32 2HE LYS 32 7.435 -1.097 11.180 259 2HE LYS 32 1HE LYS 32 8.503 0.279 11.450 260 1HZ LYS 32 1HZ LYS 32 7.685 -1.791 13.405 261 2HZ LYS 32 2HZ LYS 32 8.487 -0.363 13.854 262 3HZ LYS 32 3HZ LYS 32 9.246 -1.476 12.818 263 H LYS 33 H LYS 33 6.689 -2.004 8.507 264 HA LYS 33 HA LYS 33 9.174 -0.685 8.241 265 1HB LYS 33 2HB LYS 33 8.421 -3.231 8.721 266 2HB LYS 33 1HB LYS 33 8.810 -3.371 7.016 267 1HG LYS 33 2HG LYS 33 10.697 -2.335 9.120 268 2HG LYS 33 1HG LYS 33 10.664 -3.996 8.531 269 1HD LYS 33 2HD LYS 33 11.051 -3.008 6.211 270 2HD LYS 33 1HD LYS 33 11.416 -1.492 7.041 271 1HE LYS 33 2HE LYS 33 13.148 -2.682 8.357 272 2HE LYS 33 1HE LYS 33 12.831 -4.133 7.410 273 1HZ LYS 33 1HZ LYS 33 14.619 -3.237 6.323 274 2HZ LYS 33 2HZ LYS 33 14.151 -1.636 6.605 275 3HZ LYS 33 3HZ LYS 33 13.355 -2.551 5.420 276 H LEU 34 H LEU 34 6.742 -1.740 5.949 277 HA LEU 34 HA LEU 34 8.358 -1.482 3.623 278 1HB LEU 34 2HB LEU 34 5.348 -1.427 3.844 279 2HB LEU 34 1HB LEU 34 6.271 -1.698 2.379 280 HG LEU 34 HG LEU 34 6.096 -3.531 4.770 281 1HD1 LEU 34 1HD1 LEU 34 5.052 -5.073 3.222 282 2HD1 LEU 34 2HD1 LEU 34 5.214 -3.900 1.914 283 3HD1 LEU 34 3HD1 LEU 34 4.152 -3.556 3.282 284 1HD2 LEU 34 1HD2 LEU 34 7.720 -3.860 2.249 285 2HD2 LEU 34 2HD2 LEU 34 7.523 -5.064 3.522 286 3HD2 LEU 34 3HD2 LEU 34 8.365 -3.553 3.862 287 H VAL 35 H VAL 35 5.957 0.654 5.160 288 HA VAL 35 HA VAL 35 6.237 2.738 3.239 289 HB VAL 35 HB VAL 35 5.298 2.957 6.109 290 1HG1 VAL 35 1HG1 VAL 35 5.878 5.117 5.142 291 2HG1 VAL 35 2HG1 VAL 35 4.135 4.970 5.361 292 3HG1 VAL 35 3HG1 VAL 35 4.839 4.785 3.755 293 1HG2 VAL 35 1HG2 VAL 35 3.964 1.328 4.918 294 2HG2 VAL 35 2HG2 VAL 35 3.732 2.452 3.578 295 3HG2 VAL 35 3HG2 VAL 35 3.028 2.800 5.157 296 H GLU 36 H GLU 36 7.916 1.884 6.185 297 HA GLU 36 HA GLU 36 9.461 4.280 6.368 298 1HB GLU 36 2HB GLU 36 9.097 2.785 8.297 299 2HB GLU 36 1HB GLU 36 10.014 1.523 7.490 300 1HG GLU 36 2HG GLU 36 11.999 2.979 7.528 301 2HG GLU 36 1HG GLU 36 11.065 4.190 8.405 302 H GLU 37 H GLU 37 9.603 1.418 4.494 303 HA GLU 37 HA GLU 37 12.400 1.583 3.840 304 1HB GLU 37 2HB GLU 37 10.849 -0.511 3.842 305 2HB GLU 37 1HB GLU 37 10.361 0.052 2.250 306 1HG GLU 37 2HG GLU 37 12.071 -1.555 1.946 307 2HG GLU 37 1HG GLU 37 12.771 0.026 1.594 308 H PHE 38 H PHE 38 9.368 2.018 2.033 309 HA PHE 38 HA PHE 38 10.735 3.996 0.343 310 1HB PHE 38 2HB PHE 38 10.492 1.711 -0.774 311 2HB PHE 38 1HB PHE 38 8.754 1.986 -0.743 312 HD1 PHE 38 1HD PHE 38 7.732 3.635 -2.192 313 HD2 PHE 38 2HD PHE 38 11.935 2.980 -2.233 314 HE1 PHE 38 1HE PHE 38 7.899 4.866 -4.316 315 HE2 PHE 38 2HE PHE 38 12.110 4.209 -4.359 316 HZ PHE 38 HZ PHE 38 10.091 5.153 -5.401 317 H SER 39 H SER 39 9.311 5.623 -0.495 318 HA SER 39 HA SER 39 6.603 5.768 0.380 319 1HB SER 39 2HB SER 39 6.997 7.739 1.922 320 2HB SER 39 1HB SER 39 7.537 6.182 2.552 321 HG SER 39 HG SER 39 9.560 6.811 2.436 322 H THR 40 H THR 40 5.536 7.654 -0.351 323 HA THR 40 HA THR 40 7.100 9.455 -2.061 324 HB THR 40 HB THR 40 4.426 8.252 -2.831 325 HG1 THR 40 1HG THR 40 5.700 7.146 -4.436 326 1HG2 THR 40 1HG2 THR 40 4.728 10.484 -3.739 327 2HG2 THR 40 2HG2 THR 40 4.903 9.293 -5.030 328 3HG2 THR 40 3HG2 THR 40 6.332 10.055 -4.330 329 H VAL 41 H VAL 41 6.788 11.480 -1.394 330 HA VAL 41 HA VAL 41 5.798 13.398 -0.671 331 HB VAL 41 HB VAL 41 3.201 11.842 -0.799 332 1HG1 VAL 41 1HG1 VAL 41 2.063 13.977 -0.755 333 2HG1 VAL 41 2HG1 VAL 41 3.605 14.823 -0.621 334 3HG1 VAL 41 3HG1 VAL 41 3.051 13.787 0.696 335 1HG2 VAL 41 1HG2 VAL 41 2.831 13.035 -2.908 336 2HG2 VAL 41 2HG2 VAL 41 4.270 12.018 -2.976 337 3HG2 VAL 41 3HG2 VAL 41 4.432 13.763 -2.771 338 H SER 42 H SER 42 5.165 14.355 1.333 339 HA SER 42 HA SER 42 5.694 12.842 3.664 340 1HB SER 42 2HB SER 42 4.286 15.519 3.497 341 2HB SER 42 1HB SER 42 5.146 14.858 4.887 342 HG SER 42 HG SER 42 6.105 16.189 2.700 343 H THR 43 H THR 43 4.356 11.190 4.102 344 HA THR 43 HA THR 43 1.520 11.400 3.610 345 HB THR 43 HB THR 43 1.506 9.019 4.411 346 HG1 THR 43 1HG THR 43 3.602 9.485 5.628 347 1HG2 THR 43 1HG2 THR 43 2.696 8.127 2.452 348 2HG2 THR 43 2HG2 THR 43 3.462 9.698 2.209 349 3HG2 THR 43 3HG2 THR 43 1.714 9.532 2.034 350 H LYS 44 H LYS 44 0.302 12.418 5.066 351 HA LYS 44 HA LYS 44 0.872 12.061 7.920 352 1HB LYS 44 2HB LYS 44 0.472 14.357 6.957 353 2HB LYS 44 1HB LYS 44 -1.184 13.868 6.633 354 1HG LYS 44 2HG LYS 44 -1.090 15.152 8.669 355 2HG LYS 44 1HG LYS 44 -1.523 13.480 9.038 356 1HD LYS 44 2HD LYS 44 0.746 13.011 9.737 357 2HD LYS 44 1HD LYS 44 1.259 14.631 9.260 358 1HE LYS 44 2HE LYS 44 -0.788 14.018 11.385 359 2HE LYS 44 1HE LYS 44 0.903 14.400 11.700 360 1HZ LYS 44 1HZ LYS 44 -0.496 16.336 11.971 361 2HZ LYS 44 2HZ LYS 44 -1.068 16.192 10.381 362 3HZ LYS 44 3HZ LYS 44 0.564 16.558 10.667 363 H HIS 45 H HIS 45 -2.234 12.471 6.253 364 HA HIS 45 HA HIS 45 -3.202 10.045 7.603 365 1HB HIS 45 2HB HIS 45 -4.589 12.464 6.491 366 2HB HIS 45 1HB HIS 45 -5.472 10.957 6.704 367 HD1 HIS 45 1HD HIS 45 -4.370 13.928 8.505 368 HD2 HIS 45 2HD HIS 45 -5.507 10.044 9.473 369 HE1 HIS 45 1HE HIS 45 -4.852 13.953 10.974 370 HE2 HIS 45 2HE HIS 45 -5.767 11.660 11.477 371 H LEU 46 H LEU 46 -1.631 10.592 4.975 372 HA LEU 46 HA LEU 46 -3.245 8.974 3.160 373 1HB LEU 46 2HB LEU 46 -2.020 10.919 2.280 374 2HB LEU 46 1HB LEU 46 -0.512 10.227 2.839 375 HG LEU 46 HG LEU 46 -0.835 8.337 1.261 376 1HD1 LEU 46 1HD1 LEU 46 -2.499 8.569 -0.521 377 2HD1 LEU 46 2HD1 LEU 46 -3.165 9.983 0.296 378 3HD1 LEU 46 3HD1 LEU 46 -3.250 8.399 1.065 379 1HD2 LEU 46 1HD2 LEU 46 -0.314 9.622 -0.761 380 2HD2 LEU 46 2HD2 LEU 46 0.564 10.219 0.645 381 3HD2 LEU 46 3HD2 LEU 46 -0.844 11.098 0.047 382 H ARG 47 H ARG 47 -0.611 8.755 5.381 383 HA ARG 47 HA ARG 47 0.712 6.502 4.304 384 1HB ARG 47 2HB ARG 47 1.844 8.008 5.822 385 2HB ARG 47 1HB ARG 47 0.697 7.635 7.101 386 1HG ARG 47 2HG ARG 47 1.537 5.423 7.321 387 2HG ARG 47 1HG ARG 47 2.520 5.591 5.867 388 1HD ARG 47 2HD ARG 47 3.836 5.803 7.948 389 2HD ARG 47 1HD ARG 47 3.910 7.243 6.935 390 HE ARG 47 HE ARG 47 1.836 7.527 8.831 391 1HH1 ARG 47 1HH1 ARG 47 5.332 7.490 8.619 392 2HH1 ARG 47 2HH1 ARG 47 5.562 8.516 10.002 393 1HH2 ARG 47 1HH2 ARG 47 2.120 8.869 10.635 394 2HH2 ARG 47 2HH2 ARG 47 3.719 9.297 11.163 395 H ASN 48 H ASN 48 -1.675 6.832 6.911 396 HA ASN 48 HA ASN 48 -1.701 4.128 7.681 397 1HB ASN 48 2HB ASN 48 -3.864 4.654 8.770 398 2HB ASN 48 1HB ASN 48 -2.623 5.845 9.133 399 1HD2 ASN 48 1HD2 ASN 48 -5.552 6.064 9.222 400 2HD2 ASN 48 2HD2 ASN 48 -5.958 7.389 8.182 401 H LYS 49 H LYS 49 -3.463 5.880 5.210 402 HA LYS 49 HA LYS 49 -5.287 3.835 4.540 403 1HB LYS 49 2HB LYS 49 -4.179 6.149 2.952 404 2HB LYS 49 1HB LYS 49 -5.399 5.055 2.320 405 1HG LYS 49 2HG LYS 49 -5.723 6.674 4.830 406 2HG LYS 49 1HG LYS 49 -6.308 7.165 3.239 407 1HD LYS 49 2HD LYS 49 -7.699 5.155 3.130 408 2HD LYS 49 1HD LYS 49 -7.110 4.664 4.721 409 1HE LYS 49 2HE LYS 49 -8.105 6.593 5.738 410 2HE LYS 49 1HE LYS 49 -8.571 7.235 4.166 411 1HZ LYS 49 1HZ LYS 49 -10.426 6.172 5.328 412 2HZ LYS 49 2HZ LYS 49 -9.584 4.696 5.339 413 3HZ LYS 49 3HZ LYS 49 -10.071 5.382 3.869 414 H ILE 50 H ILE 50 -2.158 4.746 3.112 415 HA ILE 50 HA ILE 50 -2.150 2.692 1.173 416 HB ILE 50 HB ILE 50 0.219 4.153 2.353 417 1HG1 ILE 50 2HG1 ILE 50 -1.399 4.726 -0.141 418 2HG1 ILE 50 1HG1 ILE 50 -1.477 5.650 1.354 419 1HG2 ILE 50 1HG2 ILE 50 1.374 3.514 0.287 420 2HG2 ILE 50 2HG2 ILE 50 -0.042 2.592 -0.215 421 3HG2 ILE 50 3HG2 ILE 50 0.869 2.097 1.211 422 1HD1 ILE 50 1HD1 ILE 50 -0.119 6.781 -0.298 423 2HD1 ILE 50 2HD1 ILE 50 0.926 5.368 -0.431 424 3HD1 ILE 50 3HD1 ILE 50 0.866 6.282 1.077 425 H ALA 51 H ALA 51 -0.509 2.932 4.333 426 HA ALA 51 HA ALA 51 0.825 0.484 4.250 427 1HB ALA 51 1HB ALA 51 1.289 2.222 5.912 428 2HB ALA 51 2HB ALA 51 0.987 0.662 6.676 429 3HB ALA 51 3HB ALA 51 -0.267 1.902 6.678 430 H GLY 52 H GLY 52 -2.366 1.250 5.626 431 1HA GLY 52 2HA GLY 52 -2.994 -1.359 6.483 432 2HA GLY 52 1HA GLY 52 -4.157 -0.083 6.142 433 H TYR 53 H TYR 53 -3.472 0.289 3.398 434 HA TYR 53 HA TYR 53 -5.123 -1.730 2.276 435 1HB TYR 53 2HB TYR 53 -4.581 0.804 1.559 436 2HB TYR 53 1HB TYR 53 -3.482 -0.038 0.471 437 HD1 TYR 53 1HD TYR 53 -4.324 -1.329 -1.384 438 HD2 TYR 53 2HD TYR 53 -7.004 0.451 1.399 439 HE1 TYR 53 1HE TYR 53 -6.205 -1.787 -2.907 440 HE2 TYR 53 2HE TYR 53 -8.888 0.005 -0.114 441 HH TYR 53 HH TYR 53 -9.287 -0.386 -2.499 442 H ILE 54 H ILE 54 -1.647 -1.165 2.364 443 HA ILE 54 HA ILE 54 -0.794 -3.066 0.511 444 HB ILE 54 HB ILE 54 0.500 -2.225 3.112 445 1HG1 ILE 54 2HG1 ILE 54 1.097 -1.457 0.247 446 2HG1 ILE 54 1HG1 ILE 54 0.215 -0.458 1.397 447 1HG2 ILE 54 1HG2 ILE 54 1.313 -4.435 2.451 448 2HG2 ILE 54 2HG2 ILE 54 2.567 -3.209 2.263 449 3HG2 ILE 54 3HG2 ILE 54 1.705 -3.814 0.849 450 1HD1 ILE 54 1HD1 ILE 54 2.199 -0.336 2.810 451 2HD1 ILE 54 2HD1 ILE 54 2.515 0.273 1.186 452 3HD1 ILE 54 3HD1 ILE 54 3.082 -1.329 1.653 453 H THR 55 H THR 55 -1.212 -3.487 4.033 454 HA THR 55 HA THR 55 -0.855 -6.280 4.008 455 HB THR 55 HB THR 55 -2.380 -5.990 6.192 456 HG1 THR 55 1HG THR 55 -2.875 -3.780 5.698 457 1HG2 THR 55 1HG2 THR 55 -0.312 -5.480 7.424 458 2HG2 THR 55 2HG2 THR 55 0.469 -5.022 5.910 459 3HG2 THR 55 3HG2 THR 55 -0.041 -6.690 6.169 460 H ARG 56 H ARG 56 -3.661 -4.262 3.467 461 HA ARG 56 HA ARG 56 -5.663 -6.227 3.640 462 1HB ARG 56 2HB ARG 56 -5.928 -3.687 3.460 463 2HB ARG 56 1HB ARG 56 -5.697 -3.893 1.730 464 1HG ARG 56 2HG ARG 56 -8.025 -3.778 2.119 465 2HG ARG 56 1HG ARG 56 -7.649 -5.462 1.750 466 1HD ARG 56 2HD ARG 56 -7.712 -6.029 4.100 467 2HD ARG 56 1HD ARG 56 -7.960 -4.338 4.532 468 HE ARG 56 HE ARG 56 -9.929 -5.792 2.891 469 1HH1 ARG 56 1HH1 ARG 56 -9.116 -3.903 5.735 470 2HH1 ARG 56 2HH1 ARG 56 -10.762 -3.744 6.254 471 1HH2 ARG 56 1HH2 ARG 56 -12.081 -5.598 3.570 472 2HH2 ARG 56 2HH2 ARG 56 -12.458 -4.728 5.032 473 H ILE 57 H ILE 57 -3.750 -5.055 0.886 474 HA ILE 57 HA ILE 57 -4.839 -6.755 -1.075 475 HB ILE 57 HB ILE 57 -2.095 -5.500 -0.929 476 1HG1 ILE 57 2HG1 ILE 57 -4.583 -4.658 -2.439 477 2HG1 ILE 57 1HG1 ILE 57 -3.998 -3.908 -0.958 478 1HG2 ILE 57 1HG2 ILE 57 -1.984 -5.896 -3.357 479 2HG2 ILE 57 2HG2 ILE 57 -3.495 -6.799 -3.262 480 3HG2 ILE 57 3HG2 ILE 57 -2.057 -7.399 -2.437 481 1HD1 ILE 57 1HD1 ILE 57 -2.552 -3.972 -3.597 482 2HD1 ILE 57 2HD1 ILE 57 -1.958 -3.227 -2.111 483 3HD1 ILE 57 3HD1 ILE 57 -3.401 -2.590 -2.902 484 H ILE 58 H ILE 58 -2.139 -7.179 1.174 485 HA ILE 58 HA ILE 58 -1.127 -9.588 0.175 486 HB ILE 58 HB ILE 58 -1.223 -8.628 3.045 487 1HG1 ILE 58 2HG1 ILE 58 0.963 -8.475 0.953 488 2HG1 ILE 58 1HG1 ILE 58 -0.027 -7.125 1.502 489 1HG2 ILE 58 1HG2 ILE 58 0.407 -10.839 1.793 490 2HG2 ILE 58 2HG2 ILE 58 -0.866 -11.023 3.000 491 3HG2 ILE 58 3HG2 ILE 58 0.639 -10.206 3.425 492 1HD1 ILE 58 1HD1 ILE 58 1.939 -8.697 3.155 493 2HD1 ILE 58 2HD1 ILE 58 0.918 -7.389 3.753 494 3HD1 ILE 58 3HD1 ILE 58 2.149 -7.059 2.537 495 H SER 59 H SER 59 -3.555 -9.076 2.746 496 HA SER 59 HA SER 59 -4.196 -11.805 3.062 497 1HB SER 59 2HB SER 59 -6.271 -10.906 4.193 498 2HB SER 59 1HB SER 59 -4.745 -10.296 4.831 499 HG SER 59 HG SER 59 -5.532 -8.686 2.854 500 H GLN 60 H GLN 60 -5.058 -9.561 0.629 501 HA GLN 60 HA GLN 60 -7.460 -10.959 -0.189 502 1HB GLN 60 2HB GLN 60 -7.298 -8.523 -0.459 503 2HB GLN 60 1HB GLN 60 -5.904 -8.722 -1.508 504 1HG GLN 60 2HG GLN 60 -7.321 -9.923 -3.120 505 2HG GLN 60 1HG GLN 60 -8.715 -9.638 -2.078 506 1HE2 GLN 60 1HE2 GLN 60 -8.197 -8.774 -4.821 507 2HE2 GLN 60 2HE2 GLN 60 -8.328 -7.053 -4.813 508 H GLN 61 H GLN 61 -4.107 -10.644 -1.193 509 HA GLN 61 HA GLN 61 -4.405 -12.131 -3.611 510 1HB GLN 61 2HB GLN 61 -2.639 -10.467 -3.340 511 2HB GLN 61 1HB GLN 61 -1.933 -11.403 -2.031 512 1HG GLN 61 2HG GLN 61 -1.379 -13.191 -3.556 513 2HG GLN 61 1HG GLN 61 -2.191 -12.352 -4.875 514 1HE2 GLN 61 1HE2 GLN 61 -0.350 -12.313 -6.120 515 2HE2 GLN 61 2HE2 GLN 61 0.992 -11.270 -5.774 516 H LYS 62 H LYS 62 -3.395 -12.924 -0.321 517 HA LYS 62 HA LYS 62 -3.005 -15.704 -1.162 518 1HB LYS 62 2HB LYS 62 -1.165 -14.641 0.114 519 2HB LYS 62 1HB LYS 62 -2.266 -14.393 1.463 520 1HG LYS 62 2HG LYS 62 -2.507 -16.761 1.778 521 2HG LYS 62 1HG LYS 62 -1.562 -17.087 0.324 522 1HD LYS 62 2HD LYS 62 0.390 -16.021 1.382 523 2HD LYS 62 1HD LYS 62 -0.564 -15.757 2.843 524 1HE LYS 62 2HE LYS 62 0.839 -17.733 3.071 525 2HE LYS 62 1HE LYS 62 -0.870 -18.170 3.084 526 1HZ LYS 62 1HZ LYS 62 0.311 -19.706 1.713 527 2HZ LYS 62 2HZ LYS 62 1.026 -18.460 0.815 528 3HZ LYS 62 3HZ LYS 62 -0.643 -18.739 0.699 Start of MODEL 13 1 1H MET 1 1HT MET 1 -13.799 18.184 -5.004 2 2H MET 1 2HT MET 1 -14.180 17.390 -3.558 3 3H MET 1 3HT MET 1 -14.164 16.526 -5.019 4 HA MET 1 HA MET 1 -11.829 17.757 -3.670 5 1HB MET 1 2HB MET 1 -12.572 14.859 -4.155 6 2HB MET 1 1HB MET 1 -11.054 15.410 -3.463 7 1HG MET 1 2HG MET 1 -12.225 16.316 -1.546 8 2HG MET 1 1HG MET 1 -13.773 15.856 -2.250 9 1HE MET 1 1HE MET 1 -13.532 11.938 -2.204 10 2HE MET 1 2HE MET 1 -13.042 13.009 -3.517 11 3HE MET 1 3HE MET 1 -14.529 13.331 -2.625 12 H GLY 2 H GLY 2 -10.164 18.227 -4.970 13 1HA GLY 2 2HA GLY 2 -10.306 17.428 -7.774 14 2HA GLY 2 1HA GLY 2 -9.197 18.605 -7.077 15 H ASN 3 H ASN 3 -9.725 15.286 -7.871 16 HA ASN 3 HA ASN 3 -6.918 14.708 -7.393 17 1HB ASN 3 2HB ASN 3 -8.405 14.150 -5.305 18 2HB ASN 3 1HB ASN 3 -8.918 12.768 -6.266 19 1HD2 ASN 3 1HD2 ASN 3 -6.301 14.261 -4.559 20 2HD2 ASN 3 2HD2 ASN 3 -5.248 12.892 -4.555 21 H ILE 4 H ILE 4 -7.223 11.866 -7.733 22 HA ILE 4 HA ILE 4 -8.391 11.722 -10.429 23 HB ILE 4 HB ILE 4 -5.880 12.072 -10.454 24 1HG1 ILE 4 2HG1 ILE 4 -5.442 10.366 -12.168 25 2HG1 ILE 4 1HG1 ILE 4 -6.868 9.472 -11.651 26 1HG2 ILE 4 1HG2 ILE 4 -5.865 9.301 -9.277 27 2HG2 ILE 4 2HG2 ILE 4 -5.282 10.779 -8.514 28 3HG2 ILE 4 3HG2 ILE 4 -4.458 10.138 -9.934 29 1HD1 ILE 4 1HD1 ILE 4 -7.295 10.748 -13.674 30 2HD1 ILE 4 2HD1 ILE 4 -6.855 12.238 -12.837 31 3HD1 ILE 4 3HD1 ILE 4 -8.282 11.332 -12.335 32 H ARG 5 H ARG 5 -7.826 9.060 -10.955 33 HA ARG 5 HA ARG 5 -9.746 7.596 -9.642 34 1HB ARG 5 2HB ARG 5 -8.551 5.578 -10.500 35 2HB ARG 5 1HB ARG 5 -8.829 6.815 -11.722 36 1HG ARG 5 2HG ARG 5 -6.518 7.555 -11.524 37 2HG ARG 5 1HG ARG 5 -6.234 6.364 -10.253 38 1HD ARG 5 2HD ARG 5 -5.412 5.662 -12.493 39 2HD ARG 5 1HD ARG 5 -6.586 4.554 -11.784 40 HE ARG 5 HE ARG 5 -8.179 5.253 -13.357 41 1HH1 ARG 5 1HH1 ARG 5 -5.060 6.776 -13.847 42 2HH1 ARG 5 2HH1 ARG 5 -5.440 7.324 -15.450 43 1HH2 ARG 5 1HH2 ARG 5 -8.662 5.966 -15.473 44 2HH2 ARG 5 2HH2 ARG 5 -7.467 6.845 -16.375 45 H THR 6 H THR 6 -9.884 6.485 -7.788 46 HA THR 6 HA THR 6 -7.977 6.895 -5.738 47 HB THR 6 HB THR 6 -10.120 4.774 -5.695 48 HG1 THR 6 1HG THR 6 -10.386 7.599 -5.365 49 1HG2 THR 6 1HG2 THR 6 -10.243 5.378 -3.319 50 2HG2 THR 6 2HG2 THR 6 -8.984 6.590 -3.559 51 3HG2 THR 6 3HG2 THR 6 -8.611 4.879 -3.764 52 H SER 7 H SER 7 -8.414 4.439 -8.130 53 HA SER 7 HA SER 7 -6.946 2.353 -6.918 54 1HB SER 7 2HB SER 7 -7.385 2.914 -9.860 55 2HB SER 7 1HB SER 7 -6.864 1.379 -9.164 56 HG SER 7 HG SER 7 -9.243 1.819 -9.658 57 H PHE 8 H PHE 8 -5.922 5.349 -8.083 58 HA PHE 8 HA PHE 8 -3.357 4.670 -9.074 59 1HB PHE 8 2HB PHE 8 -4.400 6.895 -9.411 60 2HB PHE 8 1HB PHE 8 -4.230 7.218 -7.689 61 HD1 PHE 8 1HD PHE 8 -2.352 8.319 -6.924 62 HD2 PHE 8 2HD PHE 8 -2.204 6.313 -10.677 63 HE1 PHE 8 1HE PHE 8 -0.100 9.225 -7.315 64 HE2 PHE 8 2HE PHE 8 0.048 7.217 -11.075 65 HZ PHE 8 HZ PHE 8 1.105 8.675 -9.393 66 H VAL 9 H VAL 9 -4.642 5.314 -5.865 67 HA VAL 9 HA VAL 9 -2.186 5.201 -4.457 68 HB VAL 9 HB VAL 9 -4.938 4.459 -3.437 69 1HG1 VAL 9 1HG1 VAL 9 -4.043 5.039 -1.233 70 2HG1 VAL 9 2HG1 VAL 9 -2.467 5.358 -1.956 71 3HG1 VAL 9 3HG1 VAL 9 -3.127 3.723 -1.969 72 1HG2 VAL 9 1HG2 VAL 9 -3.551 7.135 -3.468 73 2HG2 VAL 9 2HG2 VAL 9 -5.069 6.783 -2.642 74 3HG2 VAL 9 3HG2 VAL 9 -4.977 6.683 -4.401 75 H LYS 10 H LYS 10 -4.542 2.800 -5.457 76 HA LYS 10 HA LYS 10 -3.415 0.556 -4.170 77 1HB LYS 10 2HB LYS 10 -5.681 0.565 -5.099 78 2HB LYS 10 1HB LYS 10 -5.028 0.744 -6.721 79 1HG LYS 10 2HG LYS 10 -3.900 -1.461 -6.437 80 2HG LYS 10 1HG LYS 10 -4.764 -1.640 -4.906 81 1HD LYS 10 2HD LYS 10 -6.896 -1.453 -6.087 82 2HD LYS 10 1HD LYS 10 -6.039 -1.257 -7.616 83 1HE LYS 10 2HE LYS 10 -5.966 -3.682 -5.826 84 2HE LYS 10 1HE LYS 10 -6.838 -3.543 -7.349 85 1HZ LYS 10 1HZ LYS 10 -3.912 -3.629 -6.918 86 2HZ LYS 10 2HZ LYS 10 -4.585 -3.080 -8.374 87 3HZ LYS 10 3HZ LYS 10 -4.873 -4.669 -7.852 88 H ARG 11 H ARG 11 -2.726 2.177 -7.210 89 HA ARG 11 HA ARG 11 -0.977 0.148 -8.203 90 1HB ARG 11 2HB ARG 11 -2.186 2.126 -9.460 91 2HB ARG 11 1HB ARG 11 -0.720 3.007 -9.053 92 1HG ARG 11 2HG ARG 11 0.099 0.529 -10.103 93 2HG ARG 11 1HG ARG 11 -1.178 1.132 -11.159 94 1HD ARG 11 2HD ARG 11 0.834 1.988 -12.032 95 2HD ARG 11 1HD ARG 11 0.070 3.332 -11.184 96 HE ARG 11 HE ARG 11 1.721 2.264 -9.313 97 1HH1 ARG 11 1HH1 ARG 11 2.202 3.326 -12.607 98 2HH1 ARG 11 2HH1 ARG 11 3.839 3.828 -12.350 99 1HH2 ARG 11 1HH2 ARG 11 3.910 2.910 -8.976 100 2HH2 ARG 11 2HH2 ARG 11 4.812 3.581 -10.299 101 H ILE 12 H ILE 12 -0.637 2.949 -6.145 102 HA ILE 12 HA ILE 12 2.214 2.933 -6.041 103 HB ILE 12 HB ILE 12 0.229 3.953 -3.995 104 1HG1 ILE 12 2HG1 ILE 12 1.755 5.426 -6.157 105 2HG1 ILE 12 1HG1 ILE 12 0.042 5.027 -6.218 106 1HG2 ILE 12 1HG2 ILE 12 3.187 4.469 -4.280 107 2HG2 ILE 12 2HG2 ILE 12 2.398 3.578 -2.979 108 3HG2 ILE 12 3HG2 ILE 12 2.112 5.309 -3.160 109 1HD1 ILE 12 1HD1 ILE 12 1.357 6.844 -4.212 110 2HD1 ILE 12 2HD1 ILE 12 -0.360 6.449 -4.282 111 3HD1 ILE 12 3HD1 ILE 12 0.390 7.348 -5.601 112 H ALA 13 H ALA 13 -0.362 1.406 -4.170 113 HA ALA 13 HA ALA 13 1.274 0.093 -2.290 114 1HB ALA 13 1HB ALA 13 -1.126 0.319 -1.974 115 2HB ALA 13 2HB ALA 13 -0.653 -1.379 -1.923 116 3HB ALA 13 3HB ALA 13 -1.422 -0.721 -3.368 117 H LYS 14 H LYS 14 0.132 -0.841 -5.515 118 HA LYS 14 HA LYS 14 1.298 -3.402 -5.576 119 1HB LYS 14 2HB LYS 14 -0.308 -2.683 -7.282 120 2HB LYS 14 1HB LYS 14 0.831 -1.476 -7.867 121 1HG LYS 14 2HG LYS 14 2.404 -3.320 -8.420 122 2HG LYS 14 1HG LYS 14 1.142 -4.470 -7.981 123 1HD LYS 14 2HD LYS 14 -0.293 -3.600 -9.738 124 2HD LYS 14 1HD LYS 14 0.912 -2.372 -10.142 125 1HE LYS 14 2HE LYS 14 2.516 -4.193 -10.658 126 2HE LYS 14 1HE LYS 14 1.231 -5.363 -10.373 127 1HZ LYS 14 1HZ LYS 14 0.000 -4.457 -12.214 128 2HZ LYS 14 2HZ LYS 14 1.565 -4.853 -12.731 129 3HZ LYS 14 3HZ LYS 14 1.153 -3.233 -12.441 130 H GLU 15 H GLU 15 2.552 -0.221 -6.465 131 HA GLU 15 HA GLU 15 5.063 -0.933 -7.416 132 1HB GLU 15 2HB GLU 15 4.152 1.346 -7.528 133 2HB GLU 15 1HB GLU 15 4.274 1.487 -5.780 134 1HG GLU 15 2HG GLU 15 6.731 1.238 -5.982 135 2HG GLU 15 1HG GLU 15 6.547 1.245 -7.738 136 H MET 16 H MET 16 4.016 -0.255 -4.108 137 HA MET 16 HA MET 16 6.410 -0.591 -2.749 138 1HB MET 16 2HB MET 16 4.398 0.250 -1.675 139 2HB MET 16 1HB MET 16 3.595 -1.297 -1.902 140 1HG MET 16 2HG MET 16 4.240 -1.204 0.356 141 2HG MET 16 1HG MET 16 5.358 -2.313 -0.433 142 1HE MET 16 1HE MET 16 4.850 1.248 1.105 143 2HE MET 16 2HE MET 16 5.301 1.624 -0.559 144 3HE MET 16 3HE MET 16 6.400 2.017 0.765 145 H ILE 17 H ILE 17 3.939 -3.040 -3.498 146 HA ILE 17 HA ILE 17 5.388 -5.127 -2.185 147 HB ILE 17 HB ILE 17 3.000 -5.303 -4.027 148 1HG1 ILE 17 2HG1 ILE 17 3.138 -5.319 -1.000 149 2HG1 ILE 17 1HG1 ILE 17 2.663 -3.928 -1.973 150 1HG2 ILE 17 1HG2 ILE 17 2.635 -7.509 -3.042 151 2HG2 ILE 17 2HG2 ILE 17 4.117 -7.339 -2.100 152 3HG2 ILE 17 3HG2 ILE 17 4.197 -7.429 -3.861 153 1HD1 ILE 17 1HD1 ILE 17 0.764 -5.221 -2.833 154 2HD1 ILE 17 2HD1 ILE 17 0.722 -5.036 -1.080 155 3HD1 ILE 17 3HD1 ILE 17 1.229 -6.567 -1.794 156 H GLU 18 H GLU 18 4.725 -4.377 -5.611 157 HA GLU 18 HA GLU 18 5.920 -6.752 -6.586 158 1HB GLU 18 2HB GLU 18 4.246 -5.355 -7.824 159 2HB GLU 18 1HB GLU 18 5.523 -4.183 -8.123 160 1HG GLU 18 2HG GLU 18 6.804 -5.889 -9.318 161 2HG GLU 18 1HG GLU 18 5.513 -7.053 -9.032 162 H THR 19 H THR 19 7.225 -3.554 -5.915 163 HA THR 19 HA THR 19 9.737 -4.166 -7.216 164 HB THR 19 HB THR 19 9.207 -1.836 -5.372 165 HG1 THR 19 1HG THR 19 7.706 -1.380 -6.817 166 1HG2 THR 19 1HG2 THR 19 11.534 -2.180 -6.026 167 2HG2 THR 19 2HG2 THR 19 10.881 -0.725 -6.783 168 3HG2 THR 19 3HG2 THR 19 11.064 -2.206 -7.726 169 H HIS 20 H HIS 20 8.304 -4.696 -4.193 170 HA HIS 20 HA HIS 20 10.901 -5.449 -3.034 171 1HB HIS 20 2HB HIS 20 9.910 -3.241 -2.151 172 2HB HIS 20 1HB HIS 20 8.675 -4.239 -1.398 173 HD1 HIS 20 1HD HIS 20 9.515 -5.896 0.499 174 HD2 HIS 20 2HD HIS 20 12.299 -3.119 -0.839 175 HE1 HIS 20 1HE HIS 20 11.304 -5.829 2.263 176 HE2 HIS 20 2HE HIS 20 12.843 -3.966 1.538 177 HA PRO 21 HA PRO 21 7.633 -8.780 -2.922 178 1HB PRO 21 2HB PRO 21 9.568 -10.540 -4.175 179 2HB PRO 21 1HB PRO 21 8.006 -10.001 -4.790 180 1HG PRO 21 2HG PRO 21 10.373 -9.223 -5.878 181 2HG PRO 21 1HG PRO 21 8.912 -8.218 -5.913 182 1HD PRO 21 2HD PRO 21 11.278 -8.058 -4.078 183 2HD PRO 21 1HD PRO 21 10.382 -6.747 -4.879 184 H GLY 22 H GLY 22 10.593 -8.286 -1.523 185 1HA GLY 22 2HA GLY 22 10.553 -10.812 -0.041 186 2HA GLY 22 1HA GLY 22 11.826 -9.597 0.016 187 H LYS 23 H LYS 23 10.206 -10.931 2.130 188 HA LYS 23 HA LYS 23 9.585 -10.364 4.247 189 1HB LYS 23 2HB LYS 23 10.034 -7.483 3.433 190 2HB LYS 23 1HB LYS 23 9.853 -8.085 5.074 191 1HG LYS 23 2HG LYS 23 11.936 -9.354 4.825 192 2HG LYS 23 1HG LYS 23 12.116 -8.710 3.191 193 1HD LYS 23 2HD LYS 23 12.104 -6.416 4.157 194 2HD LYS 23 1HD LYS 23 12.099 -7.140 5.767 195 1HE LYS 23 2HE LYS 23 14.215 -8.305 5.187 196 2HE LYS 23 1HE LYS 23 14.228 -7.436 3.653 197 1HZ LYS 23 1HZ LYS 23 14.337 -6.199 6.356 198 2HZ LYS 23 2HZ LYS 23 14.314 -5.346 4.894 199 3HZ LYS 23 3HZ LYS 23 15.633 -6.344 5.272 200 H PHE 24 H PHE 24 7.790 -10.335 1.805 201 HA PHE 24 HA PHE 24 5.735 -8.442 2.369 202 1HB PHE 24 2HB PHE 24 4.427 -9.545 0.672 203 2HB PHE 24 1HB PHE 24 6.086 -9.430 0.102 204 HD1 PHE 24 1HD PHE 24 7.537 -11.493 0.199 205 HD2 PHE 24 2HD PHE 24 3.332 -11.606 0.833 206 HE1 PHE 24 1HE PHE 24 7.534 -13.907 -0.266 207 HE2 PHE 24 2HE PHE 24 3.325 -14.021 0.370 208 HZ PHE 24 HZ PHE 24 5.427 -15.174 -0.181 209 H THR 25 H THR 25 4.325 -8.515 3.947 210 HA THR 25 HA THR 25 3.168 -11.024 4.806 211 HB THR 25 HB THR 25 4.593 -9.280 6.835 212 HG1 THR 25 1HG THR 25 5.552 -11.250 5.212 213 1HG2 THR 25 1HG2 THR 25 2.682 -10.499 7.743 214 2HG2 THR 25 2HG2 THR 25 4.192 -11.176 8.356 215 3HG2 THR 25 3HG2 THR 25 3.307 -12.007 7.076 216 H ASP 26 H ASP 26 1.173 -10.735 5.805 217 HA ASP 26 HA ASP 26 -0.120 -8.195 5.384 218 1HB ASP 26 2HB ASP 26 -2.133 -9.392 6.186 219 2HB ASP 26 1HB ASP 26 -1.303 -10.285 4.918 220 H ASP 27 H ASP 27 1.911 -7.835 7.141 221 HA ASP 27 HA ASP 27 0.802 -7.924 9.858 222 1HB ASP 27 2HB ASP 27 2.888 -9.116 9.593 223 2HB ASP 27 1HB ASP 27 3.638 -7.720 8.829 224 H PHE 28 H PHE 28 0.692 -6.085 11.119 225 HA PHE 28 HA PHE 28 0.287 -3.664 9.658 226 1HB PHE 28 2HB PHE 28 0.191 -4.223 12.629 227 2HB PHE 28 1HB PHE 28 -0.312 -2.712 11.878 228 HD1 PHE 28 1HD PHE 28 -2.285 -2.669 10.392 229 HD2 PHE 28 2HD PHE 28 -1.199 -6.151 12.590 230 HE1 PHE 28 1HE PHE 28 -4.535 -3.598 10.030 231 HE2 PHE 28 2HE PHE 28 -3.448 -7.081 12.232 232 HZ PHE 28 HZ PHE 28 -5.115 -5.804 10.948 233 H ASP 29 H ASP 29 2.721 -4.739 12.007 234 HA ASP 29 HA ASP 29 4.115 -2.284 12.146 235 1HB ASP 29 2HB ASP 29 4.580 -3.889 13.827 236 2HB ASP 29 1HB ASP 29 4.940 -5.137 12.642 237 H THR 30 H THR 30 4.334 -5.048 10.000 238 HA THR 30 HA THR 30 6.639 -4.302 8.580 239 HB THR 30 HB THR 30 4.263 -5.891 7.595 240 HG1 THR 30 1HG THR 30 5.304 -6.705 9.521 241 1HG2 THR 30 1HG2 THR 30 5.722 -5.144 5.766 242 2HG2 THR 30 2HG2 THR 30 5.846 -6.885 6.013 243 3HG2 THR 30 3HG2 THR 30 7.119 -5.818 6.607 244 H ASN 31 H ASN 31 3.192 -3.802 7.721 245 HA ASN 31 HA ASN 31 3.722 -2.425 5.332 246 1HB ASN 31 2HB ASN 31 1.387 -1.764 5.339 247 2HB ASN 31 1HB ASN 31 1.527 -3.436 5.850 248 1HD2 ASN 31 1HD2 ASN 31 -0.117 -3.773 7.162 249 2HD2 ASN 31 2HD2 ASN 31 -0.548 -2.797 8.517 250 H LYS 32 H LYS 32 3.600 -1.346 8.629 251 HA LYS 32 HA LYS 32 3.344 1.424 8.143 252 1HB LYS 32 2HB LYS 32 2.995 0.170 10.333 253 2HB LYS 32 1HB LYS 32 4.743 0.138 10.490 254 1HG LYS 32 2HG LYS 32 3.355 2.746 10.093 255 2HG LYS 32 1HG LYS 32 3.332 1.973 11.677 256 1HD LYS 32 2HD LYS 32 5.824 1.869 11.584 257 2HD LYS 32 1HD LYS 32 5.758 2.814 10.094 258 1HE LYS 32 2HE LYS 32 4.651 4.626 11.278 259 2HE LYS 32 1HE LYS 32 4.651 3.678 12.762 260 1HZ LYS 32 1HZ LYS 32 6.436 5.208 12.874 261 2HZ LYS 32 2HZ LYS 32 7.011 4.782 11.337 262 3HZ LYS 32 3HZ LYS 32 7.123 3.678 12.620 263 H LYS 33 H LYS 33 6.176 -0.626 8.781 264 HA LYS 33 HA LYS 33 8.054 1.484 8.591 265 1HB LYS 33 2HB LYS 33 8.421 -1.503 8.361 266 2HB LYS 33 1HB LYS 33 9.741 -0.348 8.471 267 1HG LYS 33 2HG LYS 33 8.996 0.338 10.670 268 2HG LYS 33 1HG LYS 33 7.609 -0.745 10.556 269 1HD LYS 33 2HD LYS 33 10.500 -1.604 10.511 270 2HD LYS 33 1HD LYS 33 9.428 -1.702 11.910 271 1HE LYS 33 2HE LYS 33 7.916 -3.152 10.542 272 2HE LYS 33 1HE LYS 33 9.158 -3.169 9.290 273 1HZ LYS 33 1HZ LYS 33 9.266 -5.121 10.730 274 2HZ LYS 33 2HZ LYS 33 9.525 -4.125 12.076 275 3HZ LYS 33 3HZ LYS 33 10.682 -4.196 10.837 276 H LEU 34 H LEU 34 6.571 -0.570 6.205 277 HA LEU 34 HA LEU 34 8.520 -0.177 4.167 278 1HB LEU 34 2HB LEU 34 5.593 -0.909 3.991 279 2HB LEU 34 1HB LEU 34 6.693 -0.916 2.625 280 HG LEU 34 HG LEU 34 6.939 -2.660 5.079 281 1HD1 LEU 34 1HD1 LEU 34 6.315 -4.483 3.594 282 2HD1 LEU 34 2HD1 LEU 34 6.109 -3.344 2.262 283 3HD1 LEU 34 3HD1 LEU 34 5.040 -3.268 3.664 284 1HD2 LEU 34 1HD2 LEU 34 8.700 -3.802 3.834 285 2HD2 LEU 34 2HD2 LEU 34 9.111 -2.106 4.091 286 3HD2 LEU 34 3HD2 LEU 34 8.532 -2.644 2.514 287 H VAL 35 H VAL 35 5.401 1.401 4.866 288 HA VAL 35 HA VAL 35 5.604 3.237 2.706 289 HB VAL 35 HB VAL 35 4.011 3.654 5.241 290 1HG1 VAL 35 1HG1 VAL 35 3.590 4.631 2.422 291 2HG1 VAL 35 2HG1 VAL 35 4.168 5.600 3.777 292 3HG1 VAL 35 3HG1 VAL 35 2.530 4.947 3.794 293 1HG2 VAL 35 1HG2 VAL 35 3.512 1.443 4.350 294 2HG2 VAL 35 2HG2 VAL 35 3.230 2.138 2.754 295 3HG2 VAL 35 3HG2 VAL 35 2.154 2.539 4.092 296 H GLU 36 H GLU 36 6.881 3.152 5.915 297 HA GLU 36 HA GLU 36 7.545 5.817 6.366 298 1HB GLU 36 2HB GLU 36 8.984 3.268 7.108 299 2HB GLU 36 1HB GLU 36 9.500 4.853 7.668 300 1HG GLU 36 2HG GLU 36 6.745 3.770 8.155 301 2HG GLU 36 1HG GLU 36 8.097 3.492 9.251 302 H GLU 37 H GLU 37 9.132 3.381 4.361 303 HA GLU 37 HA GLU 37 10.715 5.394 3.056 304 1HB GLU 37 2HB GLU 37 11.894 4.778 5.261 305 2HB GLU 37 1HB GLU 37 12.248 3.242 4.495 306 1HG GLU 37 2HG GLU 37 12.976 5.743 3.062 307 2HG GLU 37 1HG GLU 37 13.962 5.225 4.428 308 H PHE 38 H PHE 38 9.608 4.595 1.274 309 HA PHE 38 HA PHE 38 11.185 2.878 -0.283 310 1HB PHE 38 2HB PHE 38 9.964 1.125 1.066 311 2HB PHE 38 1HB PHE 38 8.466 1.694 0.336 312 HD1 PHE 38 1HD PHE 38 11.680 0.041 -0.307 313 HD2 PHE 38 2HD PHE 38 7.894 1.130 -1.914 314 HE1 PHE 38 1HE PHE 38 12.075 -1.438 -2.233 315 HE2 PHE 38 2HE PHE 38 8.282 -0.347 -3.840 316 HZ PHE 38 HZ PHE 38 10.373 -1.634 -4.003 317 H SER 39 H SER 39 7.655 3.094 -0.408 318 HA SER 39 HA SER 39 7.887 4.879 -2.722 319 1HB SER 39 2HB SER 39 5.555 3.214 -1.741 320 2HB SER 39 1HB SER 39 5.522 4.248 -3.169 321 HG SER 39 HG SER 39 6.703 2.845 -4.245 322 H THR 40 H THR 40 8.482 6.177 -0.526 323 HA THR 40 HA THR 40 6.210 7.176 0.909 324 HB THR 40 HB THR 40 9.030 8.268 0.934 325 HG1 THR 40 1HG THR 40 8.158 6.411 2.847 326 1HG2 THR 40 1HG2 THR 40 6.843 8.239 3.022 327 2HG2 THR 40 2HG2 THR 40 7.344 9.640 2.077 328 3HG2 THR 40 3HG2 THR 40 8.461 8.910 3.231 329 H VAL 41 H VAL 41 4.877 8.597 0.060 330 HA VAL 41 HA VAL 41 5.939 10.770 -1.631 331 HB VAL 41 HB VAL 41 3.305 9.326 -2.047 332 1HG1 VAL 41 1HG1 VAL 41 3.177 11.676 -2.650 333 2HG1 VAL 41 2HG1 VAL 41 3.150 10.668 -4.096 334 3HG1 VAL 41 3HG1 VAL 41 4.626 11.518 -3.643 335 1HG2 VAL 41 1HG2 VAL 41 5.224 7.946 -2.712 336 2HG2 VAL 41 2HG2 VAL 41 5.806 9.259 -3.734 337 3HG2 VAL 41 3HG2 VAL 41 4.277 8.463 -4.109 338 H SER 42 H SER 42 5.871 12.363 -0.058 339 HA SER 42 HA SER 42 5.016 13.866 1.447 340 1HB SER 42 2HB SER 42 2.469 13.354 -0.121 341 2HB SER 42 1HB SER 42 2.768 14.739 0.929 342 HG SER 42 HG SER 42 3.398 15.571 -0.916 343 H THR 43 H THR 43 5.133 11.222 2.327 344 HA THR 43 HA THR 43 2.540 10.423 3.303 345 HB THR 43 HB THR 43 5.207 9.034 3.551 346 HG1 THR 43 1HG THR 43 3.381 9.309 1.493 347 1HG2 THR 43 1HG2 THR 43 2.391 7.991 3.876 348 2HG2 THR 43 2HG2 THR 43 3.529 8.288 5.188 349 3HG2 THR 43 3HG2 THR 43 3.874 7.040 3.991 350 H LYS 44 H LYS 44 2.184 12.046 4.886 351 HA LYS 44 HA LYS 44 3.627 11.500 7.382 352 1HB LYS 44 2HB LYS 44 3.320 13.898 6.736 353 2HB LYS 44 1HB LYS 44 1.579 13.667 6.853 354 1HG LYS 44 2HG LYS 44 1.820 13.089 9.216 355 2HG LYS 44 1HG LYS 44 3.561 13.329 9.092 356 1HD LYS 44 2HD LYS 44 3.195 15.674 8.496 357 2HD LYS 44 1HD LYS 44 1.449 15.433 8.637 358 1HE LYS 44 2HE LYS 44 1.781 14.770 11.001 359 2HE LYS 44 1HE LYS 44 3.495 15.142 10.832 360 1HZ LYS 44 1HZ LYS 44 2.937 17.436 10.378 361 2HZ LYS 44 2HZ LYS 44 2.249 16.952 11.854 362 3HZ LYS 44 3HZ LYS 44 1.279 17.085 10.470 363 H HIS 45 H HIS 45 0.256 12.173 6.434 364 HA HIS 45 HA HIS 45 -0.646 10.186 8.394 365 1HB HIS 45 2HB HIS 45 -1.630 12.501 8.403 366 2HB HIS 45 1HB HIS 45 -2.318 12.161 6.821 367 HD1 HIS 45 1HD HIS 45 -2.766 11.476 10.448 368 HD2 HIS 45 2HD HIS 45 -4.501 10.345 6.835 369 HE1 HIS 45 1HE HIS 45 -4.952 10.376 11.051 370 HE2 HIS 45 2HE HIS 45 -5.892 9.537 8.868 371 H LEU 46 H LEU 46 -0.240 10.673 5.031 372 HA LEU 46 HA LEU 46 -2.220 8.941 4.002 373 1HB LEU 46 2HB LEU 46 -0.923 10.598 2.681 374 2HB LEU 46 1HB LEU 46 0.499 9.590 2.854 375 HG LEU 46 HG LEU 46 -0.662 7.790 1.602 376 1HD1 LEU 46 1HD1 LEU 46 -2.786 9.889 1.191 377 2HD1 LEU 46 2HD1 LEU 46 -2.960 8.404 2.128 378 3HD1 LEU 46 3HD1 LEU 46 -2.709 8.324 0.383 379 1HD2 LEU 46 1HD2 LEU 46 -0.527 8.885 -0.592 380 2HD2 LEU 46 2HD2 LEU 46 0.836 9.310 0.443 381 3HD2 LEU 46 3HD2 LEU 46 -0.484 10.458 0.205 382 H ARG 47 H ARG 47 0.549 8.343 5.799 383 HA ARG 47 HA ARG 47 1.645 5.985 4.930 384 1HB ARG 47 2HB ARG 47 2.566 7.176 6.803 385 2HB ARG 47 1HB ARG 47 1.097 6.951 7.739 386 1HG ARG 47 2HG ARG 47 1.562 4.472 7.648 387 2HG ARG 47 1HG ARG 47 3.147 4.883 6.990 388 1HD ARG 47 2HD ARG 47 2.056 5.891 9.614 389 2HD ARG 47 1HD ARG 47 3.161 4.529 9.443 390 HE ARG 47 HE ARG 47 4.800 6.131 8.528 391 1HH1 ARG 47 1HH1 ARG 47 2.120 7.420 10.402 392 2HH1 ARG 47 2HH1 ARG 47 2.997 8.834 10.904 393 1HH2 ARG 47 1HH2 ARG 47 5.933 7.959 9.188 394 2HH2 ARG 47 2HH2 ARG 47 5.164 9.143 10.206 395 H ASN 48 H ASN 48 -1.063 6.287 7.227 396 HA ASN 48 HA ASN 48 -1.388 3.478 7.494 397 1HB ASN 48 2HB ASN 48 -3.296 5.701 8.246 398 2HB ASN 48 1HB ASN 48 -3.369 4.037 8.822 399 1HD2 ASN 48 1HD2 ASN 48 -1.889 3.334 10.355 400 2HD2 ASN 48 2HD2 ASN 48 -0.875 4.424 11.236 401 H LYS 49 H LYS 49 -2.518 5.728 5.180 402 HA LYS 49 HA LYS 49 -4.845 4.260 4.376 403 1HB LYS 49 2HB LYS 49 -3.263 6.380 2.903 404 2HB LYS 49 1HB LYS 49 -4.822 5.743 2.394 405 1HG LYS 49 2HG LYS 49 -4.265 7.304 4.910 406 2HG LYS 49 1HG LYS 49 -5.106 7.884 3.471 407 1HD LYS 49 2HD LYS 49 -6.831 6.138 3.833 408 2HD LYS 49 1HD LYS 49 -6.014 5.687 5.330 409 1HE LYS 49 2HE LYS 49 -6.352 7.978 6.173 410 2HE LYS 49 1HE LYS 49 -7.231 8.373 4.699 411 1HZ LYS 49 1HZ LYS 49 -8.012 6.413 6.788 412 2HZ LYS 49 2HZ LYS 49 -8.792 6.543 5.288 413 3HZ LYS 49 3HZ LYS 49 -8.814 7.850 6.369 414 H ILE 50 H ILE 50 -1.622 4.759 2.949 415 HA ILE 50 HA ILE 50 -1.915 2.838 0.899 416 HB ILE 50 HB ILE 50 0.647 3.797 2.194 417 1HG1 ILE 50 2HG1 ILE 50 -0.813 4.864 -0.236 418 2HG1 ILE 50 1HG1 ILE 50 -0.755 5.648 1.339 419 1HG2 ILE 50 1HG2 ILE 50 1.720 3.151 0.101 420 2HG2 ILE 50 2HG2 ILE 50 0.175 2.569 -0.523 421 3HG2 ILE 50 3HG2 ILE 50 0.929 1.765 0.854 422 1HD1 ILE 50 1HD1 ILE 50 1.670 5.888 1.114 423 2HD1 ILE 50 2HD1 ILE 50 0.798 6.686 -0.194 424 3HD1 ILE 50 3HD1 ILE 50 1.587 5.135 -0.479 425 H ALA 51 H ALA 51 -0.571 2.697 4.161 426 HA ALA 51 HA ALA 51 0.420 0.084 4.124 427 1HB ALA 51 1HB ALA 51 0.308 0.186 6.551 428 2HB ALA 51 2HB ALA 51 -0.764 1.583 6.459 429 3HB ALA 51 3HB ALA 51 0.903 1.710 5.895 430 H GLY 52 H GLY 52 -2.826 1.309 4.815 431 1HA GLY 52 2HA GLY 52 -4.012 -1.085 5.660 432 2HA GLY 52 1HA GLY 52 -4.857 0.247 4.881 433 H TYR 53 H TYR 53 -3.676 0.294 2.408 434 HA TYR 53 HA TYR 53 -4.974 -1.770 1.026 435 1HB TYR 53 2HB TYR 53 -3.018 0.350 0.276 436 2HB TYR 53 1HB TYR 53 -3.278 -0.975 -0.857 437 HD1 TYR 53 1HD TYR 53 -5.479 -1.319 -1.880 438 HD2 TYR 53 2HD TYR 53 -4.722 2.018 0.652 439 HE1 TYR 53 1HE TYR 53 -7.513 -0.230 -2.719 440 HE2 TYR 53 2HE TYR 53 -6.759 3.121 -0.185 441 HH TYR 53 HH TYR 53 -9.144 1.501 -1.864 442 H ILE 54 H ILE 54 -1.513 -1.324 1.732 443 HA ILE 54 HA ILE 54 -0.440 -3.515 0.460 444 HB ILE 54 HB ILE 54 0.349 -2.497 3.195 445 1HG1 ILE 54 2HG1 ILE 54 1.448 -1.752 0.476 446 2HG1 ILE 54 1HG1 ILE 54 0.321 -0.763 1.399 447 1HG2 ILE 54 1HG2 ILE 54 1.936 -4.090 1.183 448 2HG2 ILE 54 2HG2 ILE 54 1.304 -4.692 2.715 449 3HG2 ILE 54 3HG2 ILE 54 2.550 -3.444 2.705 450 1HD1 ILE 54 1HD1 ILE 54 2.594 0.041 1.649 451 2HD1 ILE 54 2HD1 ILE 54 3.102 -1.538 2.247 452 3HD1 ILE 54 3HD1 ILE 54 1.974 -0.561 3.188 453 H THR 55 H THR 55 -1.474 -3.458 3.867 454 HA THR 55 HA THR 55 -1.163 -6.066 4.565 455 HB THR 55 HB THR 55 -3.658 -4.592 5.359 456 HG1 THR 55 1HG THR 55 -2.107 -3.016 5.548 457 1HG2 THR 55 1HG2 THR 55 -3.272 -6.833 6.291 458 2HG2 THR 55 2HG2 THR 55 -3.166 -5.589 7.539 459 3HG2 THR 55 3HG2 THR 55 -1.695 -6.310 6.883 460 H ARG 56 H ARG 56 -4.188 -4.725 3.172 461 HA ARG 56 HA ARG 56 -5.443 -7.282 3.235 462 1HB ARG 56 2HB ARG 56 -6.326 -4.773 1.807 463 2HB ARG 56 1HB ARG 56 -7.324 -6.192 2.112 464 1HG ARG 56 2HG ARG 56 -6.751 -5.774 4.594 465 2HG ARG 56 1HG ARG 56 -6.288 -4.163 4.047 466 1HD ARG 56 2HD ARG 56 -8.548 -3.931 3.027 467 2HD ARG 56 1HD ARG 56 -8.987 -5.474 3.760 468 HE ARG 56 HE ARG 56 -8.723 -2.918 5.079 469 1HH1 ARG 56 1HH1 ARG 56 -8.817 -6.401 5.522 470 2HH1 ARG 56 2HH1 ARG 56 -9.239 -6.295 7.207 471 1HH2 ARG 56 1HH2 ARG 56 -9.277 -2.785 7.275 472 2HH2 ARG 56 2HH2 ARG 56 -9.494 -4.238 8.208 473 H ILE 57 H ILE 57 -3.767 -5.470 0.723 474 HA ILE 57 HA ILE 57 -4.539 -7.131 -1.433 475 HB ILE 57 HB ILE 57 -2.066 -5.430 -1.071 476 1HG1 ILE 57 2HG1 ILE 57 -4.581 -4.995 -2.703 477 2HG1 ILE 57 1HG1 ILE 57 -4.238 -4.231 -1.156 478 1HG2 ILE 57 1HG2 ILE 57 -1.720 -5.659 -3.484 479 2HG2 ILE 57 2HG2 ILE 57 -3.056 -6.806 -3.567 480 3HG2 ILE 57 3HG2 ILE 57 -1.598 -7.216 -2.663 481 1HD1 ILE 57 1HD1 ILE 57 -2.314 -3.100 -2.144 482 2HD1 ILE 57 2HD1 ILE 57 -3.805 -2.720 -3.005 483 3HD1 ILE 57 3HD1 ILE 57 -2.658 -3.869 -3.693 484 H ILE 58 H ILE 58 -1.836 -7.262 0.852 485 HA ILE 58 HA ILE 58 -0.657 -9.602 -0.228 486 HB ILE 58 HB ILE 58 -0.518 -8.479 2.578 487 1HG1 ILE 58 2HG1 ILE 58 1.400 -8.316 0.243 488 2HG1 ILE 58 1HG1 ILE 58 0.388 -7.004 0.834 489 1HG2 ILE 58 1HG2 ILE 58 0.002 -10.857 2.598 490 2HG2 ILE 58 2HG2 ILE 58 1.453 -9.897 2.883 491 3HG2 ILE 58 3HG2 ILE 58 1.172 -10.625 1.299 492 1HD1 ILE 58 1HD1 ILE 58 2.673 -8.322 2.277 493 2HD1 ILE 58 2HD1 ILE 58 1.604 -7.117 2.991 494 3HD1 ILE 58 3HD1 ILE 58 2.623 -6.685 1.620 495 H SER 59 H SER 59 -3.257 -9.025 2.057 496 HA SER 59 HA SER 59 -3.578 -11.681 2.958 497 1HB SER 59 2HB SER 59 -5.677 -9.515 2.678 498 2HB SER 59 1HB SER 59 -5.814 -10.970 3.667 499 HG SER 59 HG SER 59 -3.535 -9.649 4.247 500 H GLN 60 H GLN 60 -4.434 -10.093 0.015 501 HA GLN 60 HA GLN 60 -6.395 -11.983 -0.857 502 1HB GLN 60 2HB GLN 60 -4.796 -9.898 -2.344 503 2HB GLN 60 1HB GLN 60 -6.048 -10.878 -3.088 504 1HG GLN 60 2HG GLN 60 -6.511 -9.062 -0.740 505 2HG GLN 60 1HG GLN 60 -6.761 -8.591 -2.419 506 1HE2 GLN 60 1HE2 GLN 60 -8.651 -8.765 -0.214 507 2HE2 GLN 60 2HE2 GLN 60 -9.897 -9.843 -0.739 508 H GLN 61 H GLN 61 -3.000 -11.385 -1.806 509 HA GLN 61 HA GLN 61 -2.973 -13.760 -3.448 510 1HB GLN 61 2HB GLN 61 -0.916 -11.680 -2.776 511 2HB GLN 61 1HB GLN 61 -0.463 -13.156 -3.611 512 1HG GLN 61 2HG GLN 61 -0.771 -11.491 -5.252 513 2HG GLN 61 1HG GLN 61 -2.153 -12.579 -5.361 514 1HE2 GLN 61 1HE2 GLN 61 -1.055 -9.419 -4.437 515 2HE2 GLN 61 2HE2 GLN 61 -2.614 -8.684 -4.336 516 H LYS 62 H LYS 62 -1.334 -12.700 -0.501 517 HA LYS 62 HA LYS 62 -0.074 -13.753 1.046 518 1HB LYS 62 2HB LYS 62 -2.375 -14.883 1.306 519 2HB LYS 62 1HB LYS 62 -1.654 -16.255 0.476 520 1HG LYS 62 2HG LYS 62 0.070 -16.377 2.230 521 2HG LYS 62 1HG LYS 62 -0.728 -15.050 3.075 522 1HD LYS 62 2HD LYS 62 -2.795 -16.450 3.159 523 2HD LYS 62 1HD LYS 62 -1.850 -17.787 2.498 524 1HE LYS 62 2HE LYS 62 -0.303 -17.547 4.442 525 2HE LYS 62 1HE LYS 62 -1.421 -16.365 5.120 526 1HZ LYS 62 1HZ LYS 62 -1.910 -19.245 4.622 527 2HZ LYS 62 2HZ LYS 62 -3.157 -18.152 4.968 528 3HZ LYS 62 3HZ LYS 62 -1.931 -18.429 6.109 Start of MODEL 14 1 1H MET 1 1HT MET 1 -14.141 14.294 -9.529 2 2H MET 1 2HT MET 1 -15.218 13.554 -10.608 3 3H MET 1 3HT MET 1 -14.648 15.120 -10.922 4 HA MET 1 HA MET 1 -13.542 13.537 -12.330 5 1HB MET 1 2HB MET 1 -12.334 15.552 -11.413 6 2HB MET 1 1HB MET 1 -11.664 14.517 -10.164 7 1HG MET 1 2HG MET 1 -11.271 13.944 -13.083 8 2HG MET 1 1HG MET 1 -10.215 15.032 -12.190 9 1HE MET 1 1HE MET 1 -9.965 13.702 -9.343 10 2HE MET 1 2HE MET 1 -8.594 14.305 -10.274 11 3HE MET 1 3HE MET 1 -8.545 12.685 -9.578 12 H GLY 2 H GLY 2 -12.796 12.935 -8.898 13 1HA GLY 2 2HA GLY 2 -11.955 10.217 -9.582 14 2HA GLY 2 1HA GLY 2 -11.749 11.012 -8.025 15 H ASN 3 H ASN 3 -13.919 9.232 -10.078 16 HA ASN 3 HA ASN 3 -16.137 9.266 -8.265 17 1HB ASN 3 2HB ASN 3 -15.545 7.316 -10.509 18 2HB ASN 3 1HB ASN 3 -17.097 7.539 -9.712 19 1HD2 ASN 3 1HD2 ASN 3 -16.374 7.782 -12.521 20 2HD2 ASN 3 2HD2 ASN 3 -16.815 9.384 -13.001 21 H ILE 4 H ILE 4 -14.714 8.742 -6.389 22 HA ILE 4 HA ILE 4 -13.982 7.360 -4.749 23 HB ILE 4 HB ILE 4 -15.255 5.123 -6.341 24 1HG1 ILE 4 2HG1 ILE 4 -16.314 6.683 -3.967 25 2HG1 ILE 4 1HG1 ILE 4 -16.855 6.881 -5.630 26 1HG2 ILE 4 1HG2 ILE 4 -15.167 3.845 -4.264 27 2HG2 ILE 4 2HG2 ILE 4 -14.364 5.195 -3.460 28 3HG2 ILE 4 3HG2 ILE 4 -13.549 4.336 -4.766 29 1HD1 ILE 4 1HD1 ILE 4 -17.119 4.379 -3.978 30 2HD1 ILE 4 2HD1 ILE 4 -17.677 4.587 -5.639 31 3HD1 ILE 4 3HD1 ILE 4 -18.408 5.528 -4.340 32 H ARG 5 H ARG 5 -13.713 5.229 -7.566 33 HA ARG 5 HA ARG 5 -11.984 4.215 -8.598 34 1HB ARG 5 2HB ARG 5 -10.475 6.614 -7.575 35 2HB ARG 5 1HB ARG 5 -9.767 5.408 -8.636 36 1HG ARG 5 2HG ARG 5 -11.676 5.938 -10.240 37 2HG ARG 5 1HG ARG 5 -11.971 7.356 -9.227 38 1HD ARG 5 2HD ARG 5 -9.680 8.104 -9.590 39 2HD ARG 5 1HD ARG 5 -9.353 6.675 -10.566 40 HE ARG 5 HE ARG 5 -10.621 9.079 -11.414 41 1HH1 ARG 5 1HH1 ARG 5 -10.624 5.611 -11.951 42 2HH1 ARG 5 2HH1 ARG 5 -11.107 5.749 -13.616 43 1HH2 ARG 5 1HH2 ARG 5 -11.238 9.255 -13.605 44 2HH2 ARG 5 2HH2 ARG 5 -11.476 7.808 -14.548 45 H THR 6 H THR 6 -9.637 3.423 -8.230 46 HA THR 6 HA THR 6 -8.811 2.939 -5.528 47 HB THR 6 HB THR 6 -9.837 0.584 -7.150 48 HG1 THR 6 1HG THR 6 -11.097 2.211 -5.429 49 1HG2 THR 6 1HG2 THR 6 -7.846 0.024 -5.847 50 2HG2 THR 6 2HG2 THR 6 -9.280 -0.755 -5.176 51 3HG2 THR 6 3HG2 THR 6 -8.605 0.675 -4.394 52 H SER 7 H SER 7 -8.593 2.368 -8.963 53 HA SER 7 HA SER 7 -6.233 1.049 -9.293 54 1HB SER 7 2HB SER 7 -7.154 3.432 -10.913 55 2HB SER 7 1HB SER 7 -6.048 2.166 -11.451 56 HG SER 7 HG SER 7 -8.431 2.038 -12.003 57 H PHE 8 H PHE 8 -6.604 4.533 -8.670 58 HA PHE 8 HA PHE 8 -3.910 5.233 -9.018 59 1HB PHE 8 2HB PHE 8 -5.773 6.863 -8.943 60 2HB PHE 8 1HB PHE 8 -5.958 6.549 -7.221 61 HD1 PHE 8 1HD PHE 8 -4.578 7.619 -5.629 62 HD2 PHE 8 2HD PHE 8 -3.676 7.932 -9.779 63 HE1 PHE 8 1HE PHE 8 -2.920 9.372 -5.136 64 HE2 PHE 8 2HE PHE 8 -2.018 9.681 -9.290 65 HZ PHE 8 HZ PHE 8 -1.638 10.404 -6.968 66 H VAL 9 H VAL 9 -5.714 4.398 -6.083 67 HA VAL 9 HA VAL 9 -3.583 4.720 -4.272 68 HB VAL 9 HB VAL 9 -5.998 2.917 -4.016 69 1HG1 VAL 9 1HG1 VAL 9 -4.305 2.326 -2.398 70 2HG1 VAL 9 2HG1 VAL 9 -5.630 3.159 -1.586 71 3HG1 VAL 9 3HG1 VAL 9 -4.126 4.014 -1.921 72 1HG2 VAL 9 1HG2 VAL 9 -6.662 5.210 -4.446 73 2HG2 VAL 9 2HG2 VAL 9 -5.602 5.780 -3.157 74 3HG2 VAL 9 3HG2 VAL 9 -7.002 4.781 -2.771 75 H LYS 10 H LYS 10 -4.812 1.884 -6.005 76 HA LYS 10 HA LYS 10 -3.010 0.058 -4.792 77 1HB LYS 10 2HB LYS 10 -5.128 -0.664 -5.782 78 2HB LYS 10 1HB LYS 10 -4.562 -0.178 -7.375 79 1HG LYS 10 2HG LYS 10 -2.997 -1.917 -7.474 80 2HG LYS 10 1HG LYS 10 -3.104 -2.226 -5.741 81 1HD LYS 10 2HD LYS 10 -4.266 -3.948 -7.034 82 2HD LYS 10 1HD LYS 10 -5.380 -3.045 -6.009 83 1HE LYS 10 2HE LYS 10 -5.996 -1.665 -7.970 84 2HE LYS 10 1HE LYS 10 -4.957 -2.679 -8.971 85 1HZ LYS 10 1HZ LYS 10 -7.304 -3.335 -9.075 86 2HZ LYS 10 2HZ LYS 10 -7.286 -3.660 -7.405 87 3HZ LYS 10 3HZ LYS 10 -6.325 -4.577 -8.459 88 H ARG 11 H ARG 11 -2.819 2.139 -7.599 89 HA ARG 11 HA ARG 11 -0.545 0.962 -8.786 90 1HB ARG 11 2HB ARG 11 -1.974 2.650 -9.919 91 2HB ARG 11 1HB ARG 11 -1.347 3.879 -8.828 92 1HG ARG 11 2HG ARG 11 -0.196 4.027 -10.927 93 2HG ARG 11 1HG ARG 11 0.927 3.437 -9.698 94 1HD ARG 11 2HD ARG 11 0.415 1.109 -10.486 95 2HD ARG 11 1HD ARG 11 -0.482 1.828 -11.822 96 HE ARG 11 HE ARG 11 2.414 2.251 -11.369 97 1HH1 ARG 11 1HH1 ARG 11 -0.337 1.780 -13.501 98 2HH1 ARG 11 2HH1 ARG 11 0.613 1.824 -14.954 99 1HH2 ARG 11 1HH2 ARG 11 3.673 2.244 -13.274 100 2HH2 ARG 11 2HH2 ARG 11 2.904 2.061 -14.824 101 H ILE 12 H ILE 12 -0.924 3.484 -6.330 102 HA ILE 12 HA ILE 12 1.776 4.147 -5.999 103 HB ILE 12 HB ILE 12 -0.411 4.120 -3.907 104 1HG1 ILE 12 2HG1 ILE 12 -0.991 5.511 -5.826 105 2HG1 ILE 12 1HG1 ILE 12 -0.630 6.520 -4.431 106 1HG2 ILE 12 1HG2 ILE 12 0.965 5.761 -2.711 107 2HG2 ILE 12 2HG2 ILE 12 2.240 5.559 -3.914 108 3HG2 ILE 12 3HG2 ILE 12 1.786 4.208 -2.875 109 1HD1 ILE 12 1HD1 ILE 12 0.313 7.462 -6.451 110 2HD1 ILE 12 2HD1 ILE 12 1.213 5.975 -6.746 111 3HD1 ILE 12 3HD1 ILE 12 1.594 6.969 -5.340 112 H ALA 13 H ALA 13 -0.205 1.656 -4.446 113 HA ALA 13 HA ALA 13 1.805 0.595 -2.782 114 1HB ALA 13 1HB ALA 13 0.384 -1.372 -2.606 115 2HB ALA 13 2HB ALA 13 -0.563 -0.833 -3.993 116 3HB ALA 13 3HB ALA 13 -0.582 0.098 -2.495 117 H LYS 14 H LYS 14 0.776 -0.197 -6.075 118 HA LYS 14 HA LYS 14 2.456 -2.381 -6.541 119 1HB LYS 14 2HB LYS 14 0.628 -1.775 -8.040 120 2HB LYS 14 1HB LYS 14 1.448 -0.285 -8.474 121 1HG LYS 14 2HG LYS 14 1.772 -1.767 -10.270 122 2HG LYS 14 1HG LYS 14 3.306 -1.706 -9.406 123 1HD LYS 14 2HD LYS 14 1.377 -3.840 -8.653 124 2HD LYS 14 1HD LYS 14 2.205 -3.993 -10.201 125 1HE LYS 14 2HE LYS 14 4.369 -3.710 -8.999 126 2HE LYS 14 1HE LYS 14 3.475 -3.744 -7.479 127 1HZ LYS 14 1HZ LYS 14 3.381 -5.936 -9.478 128 2HZ LYS 14 2HZ LYS 14 2.795 -5.969 -7.884 129 3HZ LYS 14 3HZ LYS 14 4.463 -5.913 -8.174 130 H GLU 15 H GLU 15 3.044 1.099 -6.954 131 HA GLU 15 HA GLU 15 5.565 0.969 -8.139 132 1HB GLU 15 2HB GLU 15 4.530 3.010 -6.159 133 2HB GLU 15 1HB GLU 15 5.960 3.216 -7.157 134 1HG GLU 15 2HG GLU 15 3.118 2.965 -8.109 135 2HG GLU 15 1HG GLU 15 4.116 4.416 -8.116 136 H MET 16 H MET 16 4.701 1.031 -4.695 137 HA MET 16 HA MET 16 7.353 0.842 -3.717 138 1HB MET 16 2HB MET 16 5.537 1.575 -2.273 139 2HB MET 16 1HB MET 16 4.740 0.016 -2.439 140 1HG MET 16 2HG MET 16 6.784 -1.014 -1.390 141 2HG MET 16 1HG MET 16 7.319 0.624 -1.024 142 1HE MET 16 1HE MET 16 4.467 1.873 1.367 143 2HE MET 16 2HE MET 16 4.576 2.080 -0.382 144 3HE MET 16 3HE MET 16 6.014 2.275 0.621 145 H ILE 17 H ILE 17 4.832 -1.598 -4.227 146 HA ILE 17 HA ILE 17 6.217 -3.819 -3.265 147 HB ILE 17 HB ILE 17 4.078 -3.662 -5.392 148 1HG1 ILE 17 2HG1 ILE 17 3.925 -4.431 -2.470 149 2HG1 ILE 17 1HG1 ILE 17 3.451 -2.868 -3.123 150 1HG2 ILE 17 1HG2 ILE 17 5.331 -5.737 -5.647 151 2HG2 ILE 17 2HG2 ILE 17 3.715 -6.051 -5.015 152 3HG2 ILE 17 3HG2 ILE 17 5.109 -6.093 -3.935 153 1HD1 ILE 17 1HD1 ILE 17 2.192 -5.512 -3.814 154 2HD1 ILE 17 2HD1 ILE 17 1.700 -3.935 -4.433 155 3HD1 ILE 17 3HD1 ILE 17 1.526 -4.304 -2.717 156 H GLU 18 H GLU 18 6.058 -2.505 -6.555 157 HA GLU 18 HA GLU 18 7.505 -4.611 -7.770 158 1HB GLU 18 2HB GLU 18 5.999 -2.787 -8.836 159 2HB GLU 18 1HB GLU 18 7.456 -1.802 -8.838 160 1HG GLU 18 2HG GLU 18 7.184 -2.861 -10.977 161 2HG GLU 18 1HG GLU 18 8.596 -3.533 -10.161 162 H THR 19 H THR 19 8.476 -1.416 -6.591 163 HA THR 19 HA THR 19 11.162 -1.614 -7.472 164 HB THR 19 HB THR 19 10.102 0.151 -5.258 165 HG1 THR 19 1HG THR 19 8.845 0.750 -6.917 166 1HG2 THR 19 1HG2 THR 19 12.427 0.471 -7.160 167 2HG2 THR 19 2HG2 THR 19 12.541 0.105 -5.439 168 3HG2 THR 19 3HG2 THR 19 11.904 1.663 -5.968 169 H HIS 20 H HIS 20 9.566 -2.258 -4.366 170 HA HIS 20 HA HIS 20 12.069 -3.525 -3.474 171 1HB HIS 20 2HB HIS 20 10.083 -1.948 -1.837 172 2HB HIS 20 1HB HIS 20 11.303 -2.994 -1.119 173 HD1 HIS 20 1HD HIS 20 13.684 -2.125 -0.990 174 HD2 HIS 20 2HD HIS 20 11.127 0.386 -3.108 175 HE1 HIS 20 1HE HIS 20 14.976 -0.004 -1.382 176 HE2 HIS 20 2HE HIS 20 13.498 1.406 -2.853 177 HA PRO 21 HA PRO 21 9.013 -6.880 -3.472 178 1HB PRO 21 2HB PRO 21 11.127 -8.638 -4.289 179 2HB PRO 21 1HB PRO 21 9.768 -8.052 -5.249 180 1HG PRO 21 2HG PRO 21 12.402 -7.376 -5.696 181 2HG PRO 21 1HG PRO 21 11.012 -6.417 -6.228 182 1HD PRO 21 2HD PRO 21 12.784 -6.030 -3.846 183 2HD PRO 21 1HD PRO 21 12.078 -4.817 -4.940 184 H GLY 22 H GLY 22 11.710 -6.165 -1.640 185 1HA GLY 22 2HA GLY 22 12.072 -8.656 -0.275 186 2HA GLY 22 1HA GLY 22 12.730 -7.099 0.206 187 H LYS 23 H LYS 23 9.543 -8.644 -0.047 188 HA LYS 23 HA LYS 23 9.040 -8.581 2.729 189 1HB LYS 23 2HB LYS 23 7.062 -6.978 2.596 190 2HB LYS 23 1HB LYS 23 8.663 -6.256 2.610 191 1HG LYS 23 2HG LYS 23 7.628 -5.021 0.983 192 2HG LYS 23 1HG LYS 23 8.388 -6.280 0.011 193 1HD LYS 23 2HD LYS 23 6.267 -7.512 -0.035 194 2HD LYS 23 1HD LYS 23 5.510 -6.242 0.930 195 1HE LYS 23 2HE LYS 23 4.952 -5.913 -1.388 196 2HE LYS 23 1HE LYS 23 6.035 -4.624 -0.867 197 1HZ LYS 23 1HZ LYS 23 6.799 -7.036 -2.431 198 2HZ LYS 23 2HZ LYS 23 7.877 -5.838 -1.893 199 3HZ LYS 23 3HZ LYS 23 6.681 -5.453 -3.021 200 H PHE 24 H PHE 24 7.227 -9.812 3.257 201 HA PHE 24 HA PHE 24 5.327 -10.682 1.316 202 1HB PHE 24 2HB PHE 24 7.458 -11.843 0.593 203 2HB PHE 24 1HB PHE 24 7.409 -12.728 2.112 204 HD1 PHE 24 1HD PHE 24 5.169 -11.945 -0.772 205 HD2 PHE 24 2HD PHE 24 6.475 -14.822 2.082 206 HE1 PHE 24 1HE PHE 24 3.726 -13.640 -1.824 207 HE2 PHE 24 2HE PHE 24 5.035 -16.519 1.038 208 HZ PHE 24 HZ PHE 24 3.659 -15.930 -0.916 209 H THR 25 H THR 25 4.938 -9.625 3.746 210 HA THR 25 HA THR 25 3.790 -11.864 5.237 211 HB THR 25 HB THR 25 4.456 -10.263 7.307 212 HG1 THR 25 1HG THR 25 5.982 -8.937 6.730 213 1HG2 THR 25 1HG2 THR 25 6.287 -11.817 7.774 214 2HG2 THR 25 2HG2 THR 25 6.244 -12.374 6.101 215 3HG2 THR 25 3HG2 THR 25 4.869 -12.673 7.163 216 H ASP 26 H ASP 26 1.899 -11.337 6.419 217 HA ASP 26 HA ASP 26 0.621 -8.912 5.342 218 1HB ASP 26 2HB ASP 26 -1.508 -10.076 5.529 219 2HB ASP 26 1HB ASP 26 -0.373 -11.035 4.591 220 H ASP 27 H ASP 27 2.207 -9.310 7.901 221 HA ASP 27 HA ASP 27 0.202 -8.640 9.898 222 1HB ASP 27 2HB ASP 27 2.125 -8.511 11.459 223 2HB ASP 27 1HB ASP 27 2.027 -10.061 10.631 224 H PHE 28 H PHE 28 0.462 -6.690 11.226 225 HA PHE 28 HA PHE 28 0.511 -4.419 9.511 226 1HB PHE 28 2HB PHE 28 0.061 -4.775 12.457 227 2HB PHE 28 1HB PHE 28 0.162 -3.171 11.739 228 HD1 PHE 28 1HD PHE 28 -1.570 -2.344 10.286 229 HD2 PHE 28 2HD PHE 28 -1.802 -6.247 11.964 230 HE1 PHE 28 1HE PHE 28 -3.947 -2.465 9.662 231 HE2 PHE 28 2HE PHE 28 -4.179 -6.378 11.340 232 HZ PHE 28 HZ PHE 28 -5.254 -4.484 10.187 233 H ASP 29 H ASP 29 2.825 -5.806 11.717 234 HA ASP 29 HA ASP 29 4.461 -3.524 12.036 235 1HB ASP 29 2HB ASP 29 4.698 -5.441 13.508 236 2HB ASP 29 1HB ASP 29 5.166 -6.464 12.151 237 H THR 30 H THR 30 4.332 -6.073 9.628 238 HA THR 30 HA THR 30 6.615 -5.404 8.170 239 HB THR 30 HB THR 30 4.026 -6.665 7.269 240 HG1 THR 30 1HG THR 30 5.074 -8.012 8.676 241 1HG2 THR 30 1HG2 THR 30 5.266 -7.453 5.309 242 2HG2 THR 30 2HG2 THR 30 6.670 -6.512 5.813 243 3HG2 THR 30 3HG2 THR 30 5.180 -5.691 5.342 244 H ASN 31 H ASN 31 3.214 -4.408 7.481 245 HA ASN 31 HA ASN 31 4.020 -2.643 5.414 246 1HB ASN 31 2HB ASN 31 1.761 -1.731 5.465 247 2HB ASN 31 1HB ASN 31 1.716 -3.486 5.538 248 1HD2 ASN 31 1HD2 ASN 31 1.244 -0.529 7.341 249 2HD2 ASN 31 2HD2 ASN 31 0.330 -1.238 8.622 250 H LYS 32 H LYS 32 3.849 -2.325 8.858 251 HA LYS 32 HA LYS 32 4.027 0.473 9.065 252 1HB LYS 32 2HB LYS 32 3.717 -1.194 10.961 253 2HB LYS 32 1HB LYS 32 5.443 -1.506 10.859 254 1HG LYS 32 2HG LYS 32 5.798 0.950 11.262 255 2HG LYS 32 1HG LYS 32 4.073 1.060 11.615 256 1HD LYS 32 2HD LYS 32 5.099 0.796 13.710 257 2HD LYS 32 1HD LYS 32 4.477 -0.806 13.311 258 1HE LYS 32 2HE LYS 32 6.662 -1.148 14.140 259 2HE LYS 32 1HE LYS 32 6.779 -1.325 12.389 260 1HZ LYS 32 1HZ LYS 32 7.497 1.068 12.346 261 2HZ LYS 32 2HZ LYS 32 8.595 0.002 13.082 262 3HZ LYS 32 3HZ LYS 32 7.611 0.998 14.038 263 H LYS 33 H LYS 33 6.570 -2.016 8.938 264 HA LYS 33 HA LYS 33 8.809 -0.362 8.826 265 1HB LYS 33 2HB LYS 33 8.297 -3.082 7.628 266 2HB LYS 33 1HB LYS 33 9.873 -2.306 7.592 267 1HG LYS 33 2HG LYS 33 10.055 -2.382 9.959 268 2HG LYS 33 1HG LYS 33 8.367 -2.875 10.130 269 1HD LYS 33 2HD LYS 33 8.820 -4.988 9.072 270 2HD LYS 33 1HD LYS 33 10.472 -4.496 8.703 271 1HE LYS 33 2HE LYS 33 9.406 -4.679 11.507 272 2HE LYS 33 1HE LYS 33 10.163 -6.040 10.683 273 1HZ LYS 33 1HZ LYS 33 11.710 -4.787 12.094 274 2HZ LYS 33 2HZ LYS 33 11.467 -3.409 11.138 275 3HZ LYS 33 3HZ LYS 33 12.185 -4.792 10.468 276 H LEU 34 H LEU 34 6.672 -1.462 6.252 277 HA LEU 34 HA LEU 34 8.186 -0.608 4.066 278 1HB LEU 34 2HB LEU 34 5.350 -1.300 4.539 279 2HB LEU 34 1HB LEU 34 5.680 -0.331 3.117 280 HG LEU 34 HG LEU 34 7.153 -2.036 2.227 281 1HD1 LEU 34 1HD1 LEU 34 7.440 -4.204 3.337 282 2HD1 LEU 34 2HD1 LEU 34 6.578 -3.588 4.748 283 3HD1 LEU 34 3HD1 LEU 34 8.127 -2.883 4.286 284 1HD2 LEU 34 1HD2 LEU 34 4.560 -3.218 3.199 285 2HD2 LEU 34 2HD2 LEU 34 5.536 -3.826 1.862 286 3HD2 LEU 34 3HD2 LEU 34 4.777 -2.239 1.750 287 H VAL 35 H VAL 35 5.561 1.131 5.777 288 HA VAL 35 HA VAL 35 6.101 3.513 4.222 289 HB VAL 35 HB VAL 35 4.352 4.592 5.564 290 1HG1 VAL 35 1HG1 VAL 35 2.477 3.230 4.801 291 2HG1 VAL 35 2HG1 VAL 35 3.563 1.863 4.551 292 3HG1 VAL 35 3HG1 VAL 35 3.741 3.321 3.573 293 1HG2 VAL 35 1HG2 VAL 35 4.191 1.957 7.029 294 2HG2 VAL 35 2HG2 VAL 35 3.073 3.309 7.210 295 3HG2 VAL 35 3HG2 VAL 35 4.758 3.488 7.700 296 H GLU 36 H GLU 36 7.450 2.109 6.921 297 HA GLU 36 HA GLU 36 8.082 4.443 8.453 298 1HB GLU 36 2HB GLU 36 8.072 1.811 9.005 299 2HB GLU 36 1HB GLU 36 9.777 2.013 8.637 300 1HG GLU 36 2HG GLU 36 9.582 2.259 10.956 301 2HG GLU 36 1HG GLU 36 9.787 3.891 10.317 302 H GLU 37 H GLU 37 9.086 3.575 5.457 303 HA GLU 37 HA GLU 37 11.598 4.986 5.626 304 1HB GLU 37 2HB GLU 37 12.202 2.732 6.430 305 2HB GLU 37 1HB GLU 37 11.560 2.037 4.951 306 1HG GLU 37 2HG GLU 37 13.925 2.103 4.770 307 2HG GLU 37 1HG GLU 37 13.266 3.323 3.683 308 H PHE 38 H PHE 38 9.603 2.792 3.659 309 HA PHE 38 HA PHE 38 10.722 3.859 1.211 310 1HB PHE 38 2HB PHE 38 8.482 1.852 1.548 311 2HB PHE 38 1HB PHE 38 9.414 2.160 0.086 312 HD1 PHE 38 1HD PHE 38 9.012 -0.053 2.685 313 HD2 PHE 38 2HD PHE 38 12.083 1.981 0.553 314 HE1 PHE 38 1HE PHE 38 10.625 -1.775 3.378 315 HE2 PHE 38 2HE PHE 38 13.701 0.260 1.239 316 HZ PHE 38 HZ PHE 38 12.972 -1.622 2.653 317 H SER 39 H SER 39 8.564 3.759 -0.479 318 HA SER 39 HA SER 39 6.957 5.007 -1.419 319 1HB SER 39 2HB SER 39 5.025 5.714 -0.123 320 2HB SER 39 1HB SER 39 5.516 4.095 0.359 321 HG SER 39 HG SER 39 6.772 5.399 2.050 322 H THR 40 H THR 40 5.821 7.260 -1.315 323 HA THR 40 HA THR 40 7.373 9.389 -0.220 324 HB THR 40 HB THR 40 8.819 8.719 -2.128 325 HG1 THR 40 1HG THR 40 9.201 10.792 -2.006 326 1HG2 THR 40 1HG2 THR 40 7.142 7.832 -3.640 327 2HG2 THR 40 2HG2 THR 40 8.054 9.115 -4.434 328 3HG2 THR 40 3HG2 THR 40 6.428 9.432 -3.826 329 H VAL 41 H VAL 41 6.537 11.352 -2.113 330 HA VAL 41 HA VAL 41 4.763 12.575 -2.857 331 HB VAL 41 HB VAL 41 3.056 10.154 -2.213 332 1HG1 VAL 41 1HG1 VAL 41 2.366 12.629 -3.797 333 2HG1 VAL 41 2HG1 VAL 41 1.726 12.208 -2.209 334 3HG1 VAL 41 3HG1 VAL 41 1.343 11.204 -3.609 335 1HG2 VAL 41 1HG2 VAL 41 4.682 9.711 -3.973 336 2HG2 VAL 41 2HG2 VAL 41 4.149 11.149 -4.844 337 3HG2 VAL 41 3HG2 VAL 41 3.049 9.785 -4.634 338 H SER 42 H SER 42 3.212 13.976 -1.928 339 HA SER 42 HA SER 42 3.637 14.292 0.894 340 1HB SER 42 2HB SER 42 3.618 16.166 -0.809 341 2HB SER 42 1HB SER 42 1.872 15.957 -0.911 342 HG SER 42 HG SER 42 3.151 17.455 0.780 343 H THR 43 H THR 43 1.355 15.418 1.828 344 HA THR 43 HA THR 43 -0.576 14.940 2.895 345 HB THR 43 HB THR 43 -1.085 12.829 0.787 346 HG1 THR 43 1HG THR 43 -0.924 15.509 0.553 347 1HG2 THR 43 1HG2 THR 43 -2.969 14.380 2.578 348 2HG2 THR 43 2HG2 THR 43 -2.540 12.678 2.764 349 3HG2 THR 43 3HG2 THR 43 -3.445 13.212 1.347 350 H LYS 44 H LYS 44 0.662 14.239 4.618 351 HA LYS 44 HA LYS 44 1.811 11.702 4.913 352 1HB LYS 44 2HB LYS 44 1.825 12.343 7.383 353 2HB LYS 44 1HB LYS 44 2.661 13.419 6.270 354 1HG LYS 44 2HG LYS 44 0.620 14.860 6.252 355 2HG LYS 44 1HG LYS 44 -0.046 13.829 7.520 356 1HD LYS 44 2HD LYS 44 1.733 14.412 9.015 357 2HD LYS 44 1HD LYS 44 2.584 15.287 7.740 358 1HE LYS 44 2HE LYS 44 -0.111 16.009 8.886 359 2HE LYS 44 1HE LYS 44 1.414 16.809 9.263 360 1HZ LYS 44 1HZ LYS 44 0.062 16.734 6.617 361 2HZ LYS 44 2HZ LYS 44 1.596 17.395 6.887 362 3HZ LYS 44 3HZ LYS 44 0.235 18.081 7.627 363 H HIS 45 H HIS 45 -1.456 12.787 5.442 364 HA HIS 45 HA HIS 45 -2.145 10.592 7.177 365 1HB HIS 45 2HB HIS 45 -3.285 12.841 7.189 366 2HB HIS 45 1HB HIS 45 -4.023 12.408 5.651 367 HD1 HIS 45 1HD HIS 45 -6.279 11.407 5.851 368 HD2 HIS 45 2HD HIS 45 -4.004 10.821 9.289 369 HE1 HIS 45 1HE HIS 45 -7.801 10.256 7.489 370 HE2 HIS 45 2HE HIS 45 -6.413 9.907 9.566 371 H LEU 46 H LEU 46 -1.660 10.924 3.864 372 HA LEU 46 HA LEU 46 -3.690 9.106 2.961 373 1HB LEU 46 2HB LEU 46 -2.808 10.867 1.506 374 2HB LEU 46 1HB LEU 46 -1.217 10.133 1.569 375 HG LEU 46 HG LEU 46 -2.136 8.122 0.435 376 1HD1 LEU 46 1HD1 LEU 46 -4.339 8.258 -0.620 377 2HD1 LEU 46 2HD1 LEU 46 -4.627 9.806 0.173 378 3HD1 LEU 46 3HD1 LEU 46 -4.461 8.339 1.137 379 1HD2 LEU 46 1HD2 LEU 46 -1.025 9.863 -0.854 380 2HD2 LEU 46 2HD2 LEU 46 -2.548 10.737 -1.014 381 3HD2 LEU 46 3HD2 LEU 46 -2.350 9.159 -1.776 382 H ARG 47 H ARG 47 -0.248 8.876 3.745 383 HA ARG 47 HA ARG 47 0.028 6.254 2.687 384 1HB ARG 47 2HB ARG 47 2.195 6.211 3.971 385 2HB ARG 47 1HB ARG 47 2.019 7.498 2.793 386 1HG ARG 47 2HG ARG 47 3.017 8.541 4.600 387 2HG ARG 47 1HG ARG 47 1.315 8.952 4.795 388 1HD ARG 47 2HD ARG 47 1.042 7.502 6.590 389 2HD ARG 47 1HD ARG 47 2.458 6.544 6.156 390 HE ARG 47 HE ARG 47 3.517 8.967 6.733 391 1HH1 ARG 47 1HH1 ARG 47 1.248 6.960 8.485 392 2HH1 ARG 47 2HH1 ARG 47 1.900 7.355 10.046 393 1HH2 ARG 47 1HH2 ARG 47 4.388 9.485 8.765 394 2HH2 ARG 47 2HH2 ARG 47 3.687 8.812 10.204 395 H ASN 48 H ASN 48 -1.446 7.368 5.494 396 HA ASN 48 HA ASN 48 -1.130 5.054 7.122 397 1HB ASN 48 2HB ASN 48 -3.302 7.155 7.004 398 2HB ASN 48 1HB ASN 48 -3.292 5.851 8.182 399 1HD2 ASN 48 1HD2 ASN 48 -3.155 7.269 9.901 400 2HD2 ASN 48 2HD2 ASN 48 -1.691 8.124 10.275 401 H LYS 49 H LYS 49 -3.431 6.048 4.654 402 HA LYS 49 HA LYS 49 -5.067 3.713 4.853 403 1HB LYS 49 2HB LYS 49 -4.834 5.617 2.515 404 2HB LYS 49 1HB LYS 49 -6.175 4.538 2.870 405 1HG LYS 49 2HG LYS 49 -5.344 6.948 4.476 406 2HG LYS 49 1HG LYS 49 -6.754 6.816 3.425 407 1HD LYS 49 2HD LYS 49 -7.653 5.048 4.872 408 2HD LYS 49 1HD LYS 49 -6.248 5.210 5.931 409 1HE LYS 49 2HE LYS 49 -6.872 7.576 6.313 410 2HE LYS 49 1HE LYS 49 -8.319 7.321 5.342 411 1HZ LYS 49 1HZ LYS 49 -7.647 5.924 7.875 412 2HZ LYS 49 2HZ LYS 49 -9.032 5.634 6.938 413 3HZ LYS 49 3HZ LYS 49 -8.811 7.144 7.688 414 H ILE 50 H ILE 50 -2.406 4.783 2.823 415 HA ILE 50 HA ILE 50 -2.335 2.709 0.967 416 HB ILE 50 HB ILE 50 0.015 4.192 2.163 417 1HG1 ILE 50 2HG1 ILE 50 -1.613 5.718 1.172 418 2HG1 ILE 50 1HG1 ILE 50 -0.165 5.641 0.173 419 1HG2 ILE 50 1HG2 ILE 50 0.735 2.168 1.030 420 2HG2 ILE 50 2HG2 ILE 50 1.198 3.591 0.098 421 3HG2 ILE 50 3HG2 ILE 50 -0.188 2.622 -0.404 422 1HD1 ILE 50 1HD1 ILE 50 -2.773 4.238 -0.358 423 2HD1 ILE 50 2HD1 ILE 50 -1.324 4.121 -1.358 424 3HD1 ILE 50 3HD1 ILE 50 -2.160 5.666 -1.193 425 H ALA 51 H ALA 51 -0.715 2.971 4.119 426 HA ALA 51 HA ALA 51 0.645 0.541 4.081 427 1HB ALA 51 1HB ALA 51 0.804 0.771 6.493 428 2HB ALA 51 2HB ALA 51 -0.486 1.974 6.480 429 3HB ALA 51 3HB ALA 51 1.058 2.329 5.707 430 H GLY 52 H GLY 52 -2.556 1.290 5.455 431 1HA GLY 52 2HA GLY 52 -3.066 -1.332 6.390 432 2HA GLY 52 1HA GLY 52 -4.272 -0.079 6.136 433 H TYR 53 H TYR 53 -3.527 0.170 3.272 434 HA TYR 53 HA TYR 53 -5.315 -1.824 2.276 435 1HB TYR 53 2HB TYR 53 -5.103 0.532 1.370 436 2HB TYR 53 1HB TYR 53 -3.582 0.034 0.638 437 HD1 TYR 53 1HD TYR 53 -3.760 -0.337 -1.632 438 HD2 TYR 53 2HD TYR 53 -7.021 -1.423 0.879 439 HE1 TYR 53 1HE TYR 53 -4.983 -1.184 -3.592 440 HE2 TYR 53 2HE TYR 53 -8.250 -2.274 -1.071 441 HH TYR 53 HH TYR 53 -8.314 -2.019 -3.458 442 H ILE 54 H ILE 54 -1.823 -1.302 2.192 443 HA ILE 54 HA ILE 54 -1.112 -3.373 0.445 444 HB ILE 54 HB ILE 54 0.404 -2.402 2.877 445 1HG1 ILE 54 2HG1 ILE 54 0.716 -1.599 -0.021 446 2HG1 ILE 54 1HG1 ILE 54 -0.162 -0.655 1.178 447 1HG2 ILE 54 1HG2 ILE 54 1.221 -4.564 2.125 448 2HG2 ILE 54 2HG2 ILE 54 2.392 -3.301 1.752 449 3HG2 ILE 54 3HG2 ILE 54 1.366 -3.957 0.476 450 1HD1 ILE 54 1HD1 ILE 54 1.886 -0.411 2.482 451 2HD1 ILE 54 2HD1 ILE 54 2.070 0.222 0.847 452 3HD1 ILE 54 3HD1 ILE 54 2.764 -1.343 1.270 453 H THR 55 H THR 55 -1.519 -3.377 3.971 454 HA THR 55 HA THR 55 -0.928 -6.034 4.512 455 HB THR 55 HB THR 55 -3.201 -4.749 5.958 456 HG1 THR 55 1HG THR 55 -0.736 -3.851 6.784 457 1HG2 THR 55 1HG2 THR 55 -1.985 -5.586 7.912 458 2HG2 THR 55 2HG2 THR 55 -0.670 -6.121 6.867 459 3HG2 THR 55 3HG2 THR 55 -2.258 -6.876 6.739 460 H ARG 56 H ARG 56 -3.966 -4.532 3.519 461 HA ARG 56 HA ARG 56 -5.553 -6.863 3.662 462 1HB ARG 56 2HB ARG 56 -6.547 -4.648 3.637 463 2HB ARG 56 1HB ARG 56 -5.912 -4.349 2.025 464 1HG ARG 56 2HG ARG 56 -7.363 -6.001 1.079 465 2HG ARG 56 1HG ARG 56 -7.886 -6.524 2.680 466 1HD ARG 56 2HD ARG 56 -8.317 -3.753 1.578 467 2HD ARG 56 1HD ARG 56 -9.513 -5.047 1.496 468 HE ARG 56 HE ARG 56 -8.456 -4.115 4.092 469 1HH1 ARG 56 1HH1 ARG 56 -11.114 -4.685 1.889 470 2HH1 ARG 56 2HH1 ARG 56 -12.345 -4.472 3.104 471 1HH2 ARG 56 1HH2 ARG 56 -10.080 -3.810 5.709 472 2HH2 ARG 56 2HH2 ARG 56 -11.751 -3.962 5.262 473 H ILE 57 H ILE 57 -3.792 -5.343 0.968 474 HA ILE 57 HA ILE 57 -4.618 -7.067 -1.068 475 HB ILE 57 HB ILE 57 -1.939 -5.703 -0.757 476 1HG1 ILE 57 2HG1 ILE 57 -4.394 -4.887 -2.333 477 2HG1 ILE 57 1HG1 ILE 57 -3.885 -4.171 -0.807 478 1HG2 ILE 57 1HG2 ILE 57 -3.193 -6.952 -3.203 479 2HG2 ILE 57 2HG2 ILE 57 -1.772 -7.541 -2.336 480 3HG2 ILE 57 3HG2 ILE 57 -1.712 -5.995 -3.187 481 1HD1 ILE 57 1HD1 ILE 57 -3.245 -2.764 -2.660 482 2HD1 ILE 57 2HD1 ILE 57 -2.363 -4.100 -3.400 483 3HD1 ILE 57 3HD1 ILE 57 -1.809 -3.417 -1.869 484 H ILE 58 H ILE 58 -1.804 -7.322 1.091 485 HA ILE 58 HA ILE 58 -0.784 -9.692 -0.032 486 HB ILE 58 HB ILE 58 -0.437 -8.647 2.783 487 1HG1 ILE 58 2HG1 ILE 58 1.302 -8.320 0.324 488 2HG1 ILE 58 1HG1 ILE 58 0.261 -7.070 0.998 489 1HG2 ILE 58 1HG2 ILE 58 1.588 -10.025 2.829 490 2HG2 ILE 58 2HG2 ILE 58 1.189 -10.667 1.235 491 3HG2 ILE 58 3HG2 ILE 58 0.142 -11.012 2.613 492 1HD1 ILE 58 1HD1 ILE 58 2.649 -8.321 2.337 493 2HD1 ILE 58 2HD1 ILE 58 1.591 -7.108 3.059 494 3HD1 ILE 58 3HD1 ILE 58 2.557 -6.703 1.640 495 H SER 59 H SER 59 -2.854 -9.207 2.836 496 HA SER 59 HA SER 59 -3.080 -11.961 3.445 497 1HB SER 59 2HB SER 59 -5.062 -11.204 4.827 498 2HB SER 59 1HB SER 59 -3.537 -10.394 5.180 499 HG SER 59 HG SER 59 -4.251 -8.579 4.231 500 H GLN 60 H GLN 60 -4.737 -9.921 1.187 501 HA GLN 60 HA GLN 60 -7.023 -11.560 0.773 502 1HB GLN 60 2HB GLN 60 -6.796 -9.138 0.134 503 2HB GLN 60 1HB GLN 60 -5.732 -9.638 -1.169 504 1HG GLN 60 2HG GLN 60 -7.539 -10.905 -2.182 505 2HG GLN 60 1HG GLN 60 -8.611 -10.451 -0.855 506 1HE2 GLN 60 1HE2 GLN 60 -6.945 -9.360 -3.695 507 2HE2 GLN 60 2HE2 GLN 60 -7.790 -7.860 -3.867 508 H GLN 61 H GLN 61 -3.790 -11.457 -0.590 509 HA GLN 61 HA GLN 61 -4.379 -13.535 -2.530 510 1HB GLN 61 2HB GLN 61 -1.700 -12.347 -1.778 511 2HB GLN 61 1HB GLN 61 -2.059 -13.307 -3.205 512 1HG GLN 61 2HG GLN 61 -3.392 -10.674 -2.670 513 2HG GLN 61 1HG GLN 61 -1.844 -10.795 -3.498 514 1HE2 GLN 61 1HE2 GLN 61 -4.396 -13.172 -3.901 515 2HE2 GLN 61 2HE2 GLN 61 -4.772 -12.758 -5.536 516 H LYS 62 H LYS 62 -2.924 -13.212 0.621 517 HA LYS 62 HA LYS 62 -1.933 -15.963 0.572 518 1HB LYS 62 2HB LYS 62 -0.355 -14.286 1.306 519 2HB LYS 62 1HB LYS 62 -1.494 -13.667 2.487 520 1HG LYS 62 2HG LYS 62 -1.299 -15.679 3.799 521 2HG LYS 62 1HG LYS 62 -0.262 -16.413 2.572 522 1HD LYS 62 2HD LYS 62 1.488 -14.884 2.995 523 2HD LYS 62 1HD LYS 62 0.436 -13.826 3.933 524 1HE LYS 62 2HE LYS 62 1.200 -16.628 4.739 525 2HE LYS 62 1HE LYS 62 2.005 -15.169 5.316 526 1HZ LYS 62 1HZ LYS 62 0.404 -15.815 6.932 527 2HZ LYS 62 2HZ LYS 62 -0.823 -15.952 5.774 528 3HZ LYS 62 3HZ LYS 62 -0.194 -14.424 6.169 Start of MODEL 15 1 1H MET 1 1HT MET 1 -11.771 11.610 -15.384 2 2H MET 1 2HT MET 1 -12.204 12.222 -13.864 3 3H MET 1 3HT MET 1 -13.370 11.471 -14.835 4 HA MET 1 HA MET 1 -12.651 10.029 -13.038 5 1HB MET 1 2HB MET 1 -11.749 9.122 -15.782 6 2HB MET 1 1HB MET 1 -12.071 8.061 -14.417 7 1HG MET 1 2HG MET 1 -14.073 9.817 -15.816 8 2HG MET 1 1HG MET 1 -13.926 8.068 -15.969 9 1HE MET 1 1HE MET 1 -17.289 8.556 -13.996 10 2HE MET 1 2HE MET 1 -16.534 7.834 -15.414 11 3HE MET 1 3HE MET 1 -16.638 9.589 -15.271 12 H GLY 2 H GLY 2 -9.998 10.848 -15.276 13 1HA GLY 2 2HA GLY 2 -7.822 11.417 -14.451 14 2HA GLY 2 1HA GLY 2 -8.130 10.412 -13.040 15 H ASN 3 H ASN 3 -7.250 8.443 -13.022 16 HA ASN 3 HA ASN 3 -6.189 7.404 -15.554 17 1HB ASN 3 2HB ASN 3 -5.548 6.615 -12.703 18 2HB ASN 3 1HB ASN 3 -4.838 5.878 -14.136 19 1HD2 ASN 3 1HD2 ASN 3 -3.348 7.027 -15.357 20 2HD2 ASN 3 2HD2 ASN 3 -2.572 8.451 -14.744 21 H ILE 4 H ILE 4 -8.097 6.613 -16.385 22 HA ILE 4 HA ILE 4 -9.634 5.041 -16.894 23 HB ILE 4 HB ILE 4 -8.267 3.332 -14.805 24 1HG1 ILE 4 2HG1 ILE 4 -7.916 3.429 -17.811 25 2HG1 ILE 4 1HG1 ILE 4 -6.776 4.070 -16.634 26 1HG2 ILE 4 1HG2 ILE 4 -9.311 1.445 -15.993 27 2HG2 ILE 4 2HG2 ILE 4 -10.177 2.589 -17.019 28 3HG2 ILE 4 3HG2 ILE 4 -10.510 2.532 -15.289 29 1HD1 ILE 4 1HD1 ILE 4 -6.036 1.926 -17.471 30 2HD1 ILE 4 2HD1 ILE 4 -7.553 1.182 -16.964 31 3HD1 ILE 4 3HD1 ILE 4 -6.431 1.811 -15.755 32 H ARG 5 H ARG 5 -9.260 4.370 -13.430 33 HA ARG 5 HA ARG 5 -11.953 5.416 -12.947 34 1HB ARG 5 2HB ARG 5 -12.053 2.922 -13.337 35 2HB ARG 5 1HB ARG 5 -11.042 2.722 -11.913 36 1HG ARG 5 2HG ARG 5 -12.840 4.003 -10.653 37 2HG ARG 5 1HG ARG 5 -13.852 3.755 -12.075 38 1HD ARG 5 2HD ARG 5 -12.605 1.642 -10.328 39 2HD ARG 5 1HD ARG 5 -14.317 2.027 -10.472 40 HE ARG 5 HE ARG 5 -12.980 1.161 -12.911 41 1HH1 ARG 5 1HH1 ARG 5 -15.033 0.348 -10.199 42 2HH1 ARG 5 2HH1 ARG 5 -15.590 -1.140 -10.890 43 1HH2 ARG 5 1HH2 ARG 5 -13.691 -0.808 -13.833 44 2HH2 ARG 5 2HH2 ARG 5 -14.835 -1.795 -12.968 45 H THR 6 H THR 6 -9.399 3.660 -11.224 46 HA THR 6 HA THR 6 -8.635 5.889 -9.620 47 HB THR 6 HB THR 6 -10.803 5.307 -8.548 48 HG1 THR 6 1HG THR 6 -9.626 6.097 -6.964 49 1HG2 THR 6 1HG2 THR 6 -9.475 2.657 -7.971 50 2HG2 THR 6 2HG2 THR 6 -10.855 2.916 -9.037 51 3HG2 THR 6 3HG2 THR 6 -11.014 3.196 -7.302 52 H SER 7 H SER 7 -7.655 3.654 -11.349 53 HA SER 7 HA SER 7 -6.520 1.596 -9.783 54 1HB SER 7 2HB SER 7 -5.629 2.453 -12.536 55 2HB SER 7 1HB SER 7 -5.557 0.839 -11.823 56 HG SER 7 HG SER 7 -7.465 0.544 -12.626 57 H PHE 8 H PHE 8 -5.545 4.798 -10.275 58 HA PHE 8 HA PHE 8 -2.745 4.527 -10.263 59 1HB PHE 8 2HB PHE 8 -3.945 6.606 -10.894 60 2HB PHE 8 1HB PHE 8 -4.400 6.829 -9.208 61 HD1 PHE 8 1HD PHE 8 -1.313 6.221 -11.220 62 HD2 PHE 8 2HD PHE 8 -3.134 8.299 -7.978 63 HE1 PHE 8 1HE PHE 8 0.786 7.451 -10.829 64 HE2 PHE 8 2HE PHE 8 -1.043 9.525 -7.584 65 HZ PHE 8 HZ PHE 8 0.920 9.104 -9.007 66 H VAL 9 H VAL 9 -5.131 4.647 -7.674 67 HA VAL 9 HA VAL 9 -3.352 5.009 -5.514 68 HB VAL 9 HB VAL 9 -6.001 3.546 -5.508 69 1HG1 VAL 9 1HG1 VAL 9 -4.723 3.095 -3.506 70 2HG1 VAL 9 2HG1 VAL 9 -6.072 4.166 -3.129 71 3HG1 VAL 9 3HG1 VAL 9 -4.439 4.818 -3.265 72 1HG2 VAL 9 1HG2 VAL 9 -5.391 6.464 -5.037 73 2HG2 VAL 9 2HG2 VAL 9 -6.961 5.695 -4.804 74 3HG2 VAL 9 3HG2 VAL 9 -6.254 5.783 -6.417 75 H LYS 10 H LYS 10 -4.757 2.083 -6.924 76 HA LYS 10 HA LYS 10 -3.518 0.192 -5.286 77 1HB LYS 10 2HB LYS 10 -5.364 -0.358 -6.786 78 2HB LYS 10 1HB LYS 10 -4.348 -0.037 -8.184 79 1HG LYS 10 2HG LYS 10 -2.914 -1.909 -7.582 80 2HG LYS 10 1HG LYS 10 -3.913 -2.221 -6.160 81 1HD LYS 10 2HD LYS 10 -5.828 -2.683 -7.580 82 2HD LYS 10 1HD LYS 10 -4.878 -2.300 -9.016 83 1HE LYS 10 2HE LYS 10 -3.393 -4.172 -8.556 84 2HE LYS 10 1HE LYS 10 -4.290 -4.536 -7.082 85 1HZ LYS 10 1HZ LYS 10 -6.239 -5.008 -8.407 86 2HZ LYS 10 2HZ LYS 10 -4.939 -5.976 -8.914 87 3HZ LYS 10 3HZ LYS 10 -5.402 -4.629 -9.836 88 H ARG 11 H ARG 11 -2.441 1.733 -8.260 89 HA ARG 11 HA ARG 11 -0.108 0.258 -8.680 90 1HB ARG 11 2HB ARG 11 -0.648 1.558 -10.496 91 2HB ARG 11 1HB ARG 11 -1.077 2.950 -9.513 92 1HG ARG 11 2HG ARG 11 1.147 3.612 -9.269 93 2HG ARG 11 1HG ARG 11 1.764 2.033 -9.756 94 1HD ARG 11 2HD ARG 11 0.189 3.785 -11.621 95 2HD ARG 11 1HD ARG 11 1.938 3.930 -11.449 96 HE ARG 11 HE ARG 11 1.322 1.239 -11.917 97 1HH1 ARG 11 1HH1 ARG 11 1.215 4.310 -13.594 98 2HH1 ARG 11 2HH1 ARG 11 1.503 3.618 -15.159 99 1HH2 ARG 11 1HH2 ARG 11 1.701 0.318 -13.961 100 2HH2 ARG 11 2HH2 ARG 11 1.779 1.333 -15.369 101 H ILE 12 H ILE 12 -0.609 3.225 -6.786 102 HA ILE 12 HA ILE 12 2.060 3.751 -6.176 103 HB ILE 12 HB ILE 12 -0.354 4.293 -4.440 104 1HG1 ILE 12 2HG1 ILE 12 1.031 6.074 -6.457 105 2HG1 ILE 12 1HG1 ILE 12 -0.500 5.247 -6.731 106 1HG2 ILE 12 1HG2 ILE 12 1.727 4.466 -3.194 107 2HG2 ILE 12 2HG2 ILE 12 1.017 6.060 -3.444 108 3HG2 ILE 12 3HG2 ILE 12 2.387 5.543 -4.424 109 1HD1 ILE 12 1HD1 ILE 12 0.027 7.364 -4.657 110 2HD1 ILE 12 2HD1 ILE 12 -1.505 6.527 -4.902 111 3HD1 ILE 12 3HD1 ILE 12 -0.857 7.573 -6.165 112 H ALA 13 H ALA 13 -0.339 1.942 -4.265 113 HA ALA 13 HA ALA 13 1.412 1.296 -2.150 114 1HB ALA 13 1HB ALA 13 -1.035 1.233 -1.953 115 2HB ALA 13 2HB ALA 13 -0.292 -0.284 -1.447 116 3HB ALA 13 3HB ALA 13 -1.075 -0.170 -3.022 117 H LYS 14 H LYS 14 0.450 -0.517 -5.042 118 HA LYS 14 HA LYS 14 1.761 -2.911 -4.339 119 1HB LYS 14 2HB LYS 14 -0.043 -2.390 -6.175 120 2HB LYS 14 1HB LYS 14 1.356 -2.109 -7.199 121 1HG LYS 14 2HG LYS 14 1.084 -4.648 -5.639 122 2HG LYS 14 1HG LYS 14 0.258 -4.438 -7.181 123 1HD LYS 14 2HD LYS 14 3.221 -4.020 -6.836 124 2HD LYS 14 1HD LYS 14 2.514 -5.578 -7.269 125 1HE LYS 14 2HE LYS 14 1.472 -4.511 -9.242 126 2HE LYS 14 1HE LYS 14 2.279 -3.002 -8.821 127 1HZ LYS 14 1HZ LYS 14 3.414 -4.389 -10.545 128 2HZ LYS 14 2HZ LYS 14 3.747 -5.529 -9.335 129 3HZ LYS 14 3HZ LYS 14 4.386 -3.957 -9.224 130 H GLU 15 H GLU 15 2.805 -0.072 -6.180 131 HA GLU 15 HA GLU 15 5.312 -1.203 -6.899 132 1HB GLU 15 2HB GLU 15 4.225 1.588 -6.966 133 2HB GLU 15 1HB GLU 15 5.921 1.265 -7.315 134 1HG GLU 15 2HG GLU 15 5.107 -0.414 -9.021 135 2HG GLU 15 1HG GLU 15 3.504 0.287 -8.796 136 H MET 16 H MET 16 4.196 0.637 -4.118 137 HA MET 16 HA MET 16 6.649 1.282 -2.967 138 1HB MET 16 2HB MET 16 4.045 0.453 -1.694 139 2HB MET 16 1HB MET 16 5.447 0.904 -0.739 140 1HG MET 16 2HG MET 16 5.447 3.110 -1.838 141 2HG MET 16 1HG MET 16 3.977 2.647 -2.700 142 1HE MET 16 1HE MET 16 2.710 5.244 -0.019 143 2HE MET 16 2HE MET 16 2.775 4.847 -1.735 144 3HE MET 16 3HE MET 16 4.252 5.271 -0.875 145 H ILE 17 H ILE 17 4.811 -1.719 -2.888 146 HA ILE 17 HA ILE 17 6.543 -3.180 -1.204 147 HB ILE 17 HB ILE 17 4.768 -4.271 -3.394 148 1HG1 ILE 17 2HG1 ILE 17 4.099 -3.818 -0.479 149 2HG1 ILE 17 1HG1 ILE 17 3.573 -2.772 -1.794 150 1HG2 ILE 17 1HG2 ILE 17 4.728 -6.303 -2.019 151 2HG2 ILE 17 2HG2 ILE 17 5.860 -5.553 -0.893 152 3HG2 ILE 17 3HG2 ILE 17 6.361 -5.898 -2.550 153 1HD1 ILE 17 1HD1 ILE 17 2.333 -4.626 -2.773 154 2HD1 ILE 17 2HD1 ILE 17 1.812 -4.301 -1.123 155 3HD1 ILE 17 3HD1 ILE 17 2.863 -5.676 -1.461 156 H GLU 18 H GLU 18 6.275 -3.119 -4.767 157 HA GLU 18 HA GLU 18 8.313 -5.039 -5.173 158 1HB GLU 18 2HB GLU 18 8.154 -4.477 -7.532 159 2HB GLU 18 1HB GLU 18 6.555 -4.637 -6.821 160 1HG GLU 18 2HG GLU 18 6.230 -2.293 -6.808 161 2HG GLU 18 1HG GLU 18 7.922 -1.991 -7.203 162 H THR 19 H THR 19 8.649 -1.865 -4.188 163 HA THR 19 HA THR 19 10.822 -0.911 -5.659 164 HB THR 19 HB THR 19 10.377 -0.482 -2.696 165 HG1 THR 19 1HG THR 19 8.568 0.396 -3.366 166 1HG2 THR 19 1HG2 THR 19 11.712 1.237 -4.796 167 2HG2 THR 19 2HG2 THR 19 12.536 0.327 -3.528 168 3HG2 THR 19 3HG2 THR 19 11.476 1.673 -3.102 169 H HIS 20 H HIS 20 10.738 -2.994 -2.799 170 HA HIS 20 HA HIS 20 13.309 -4.103 -3.549 171 1HB HIS 20 2HB HIS 20 13.967 -2.254 -2.077 172 2HB HIS 20 1HB HIS 20 12.873 -2.841 -0.830 173 HD1 HIS 20 1HD HIS 20 13.997 -4.169 0.927 174 HD2 HIS 20 2HD HIS 20 16.006 -4.397 -2.710 175 HE1 HIS 20 1HE HIS 20 16.017 -5.598 1.353 176 HE2 HIS 20 2HE HIS 20 17.312 -5.565 -0.805 177 HA PRO 21 HA PRO 21 10.857 -7.651 -2.295 178 1HB PRO 21 2HB PRO 21 13.474 -9.006 -2.621 179 2HB PRO 21 1HB PRO 21 11.914 -9.385 -3.357 180 1HG PRO 21 2HG PRO 21 13.876 -8.270 -4.789 181 2HG PRO 21 1HG PRO 21 12.179 -7.822 -5.043 182 1HD PRO 21 2HD PRO 21 14.333 -6.341 -3.588 183 2HD PRO 21 1HD PRO 21 13.050 -5.716 -4.644 184 H GLY 22 H GLY 22 10.465 -7.253 -0.251 185 1HA GLY 22 2HA GLY 22 11.838 -8.717 1.719 186 2HA GLY 22 1HA GLY 22 12.238 -7.005 1.863 187 H LYS 23 H LYS 23 10.984 -8.045 3.932 188 HA LYS 23 HA LYS 23 9.157 -7.958 5.290 189 1HB LYS 23 2HB LYS 23 8.323 -5.761 3.366 190 2HB LYS 23 1HB LYS 23 7.532 -6.102 4.891 191 1HG LYS 23 2HG LYS 23 8.924 -4.223 5.243 192 2HG LYS 23 1HG LYS 23 9.701 -5.588 6.041 193 1HD LYS 23 2HD LYS 23 11.275 -5.818 4.230 194 2HD LYS 23 1HD LYS 23 10.432 -4.585 3.293 195 1HE LYS 23 2HE LYS 23 11.539 -3.945 6.003 196 2HE LYS 23 1HE LYS 23 12.590 -3.948 4.588 197 1HZ LYS 23 1HZ LYS 23 11.720 -1.732 5.060 198 2HZ LYS 23 2HZ LYS 23 10.132 -2.306 4.901 199 3HZ LYS 23 3HZ LYS 23 11.162 -2.298 3.564 200 H PHE 24 H PHE 24 6.682 -6.908 3.332 201 HA PHE 24 HA PHE 24 5.213 -7.739 1.830 202 1HB PHE 24 2HB PHE 24 7.095 -8.453 0.505 203 2HB PHE 24 1HB PHE 24 7.283 -9.906 1.476 204 HD1 PHE 24 1HD PHE 24 5.024 -8.189 -0.904 205 HD2 PHE 24 2HD PHE 24 6.108 -11.866 0.948 206 HE1 PHE 24 1HE PHE 24 3.548 -9.402 -2.454 207 HE2 PHE 24 2HE PHE 24 4.636 -13.085 -0.599 208 HZ PHE 24 HZ PHE 24 3.353 -11.852 -2.303 209 H THR 25 H THR 25 6.260 -9.967 4.350 210 HA THR 25 HA THR 25 4.243 -11.899 3.638 211 HB THR 25 HB THR 25 5.117 -13.133 5.657 212 HG1 THR 25 1HG THR 25 5.931 -11.168 6.688 213 1HG2 THR 25 1HG2 THR 25 5.943 -13.583 3.393 214 2HG2 THR 25 2HG2 THR 25 7.238 -13.733 4.580 215 3HG2 THR 25 3HG2 THR 25 7.133 -12.294 3.568 216 H ASP 26 H ASP 26 2.570 -10.141 4.008 217 HA ASP 26 HA ASP 26 0.766 -9.359 5.192 218 1HB ASP 26 2HB ASP 26 0.128 -11.596 4.492 219 2HB ASP 26 1HB ASP 26 0.827 -12.282 5.949 220 H ASP 27 H ASP 27 2.326 -8.127 6.578 221 HA ASP 27 HA ASP 27 1.693 -8.697 9.369 222 1HB ASP 27 2HB ASP 27 3.888 -9.587 9.217 223 2HB ASP 27 1HB ASP 27 4.449 -8.241 8.236 224 H PHE 28 H PHE 28 1.573 -6.844 10.688 225 HA PHE 28 HA PHE 28 0.844 -4.468 9.231 226 1HB PHE 28 2HB PHE 28 0.907 -5.040 12.204 227 2HB PHE 28 1HB PHE 28 0.288 -3.556 11.486 228 HD1 PHE 28 1HD PHE 28 -0.388 -7.015 12.252 229 HD2 PHE 28 2HD PHE 28 -1.725 -3.635 10.040 230 HE1 PHE 28 1HE PHE 28 -2.597 -8.071 11.975 231 HE2 PHE 28 2HE PHE 28 -3.930 -4.682 9.760 232 HZ PHE 28 HZ PHE 28 -4.367 -6.904 10.729 233 H ASP 29 H ASP 29 3.498 -5.470 11.340 234 HA ASP 29 HA ASP 29 4.769 -2.935 11.437 235 1HB ASP 29 2HB ASP 29 5.374 -4.772 12.971 236 2HB ASP 29 1HB ASP 29 6.015 -5.693 11.615 237 H THR 30 H THR 30 4.667 -5.531 9.156 238 HA THR 30 HA THR 30 6.680 -4.768 7.382 239 HB THR 30 HB THR 30 4.136 -6.320 7.099 240 HG1 THR 30 1HG THR 30 6.233 -7.120 7.986 241 1HG2 THR 30 1HG2 THR 30 4.159 -5.330 4.969 242 2HG2 THR 30 2HG2 THR 30 4.947 -6.893 4.748 243 3HG2 THR 30 3HG2 THR 30 5.913 -5.420 4.849 244 H ASN 31 H ASN 31 3.209 -3.851 7.391 245 HA ASN 31 HA ASN 31 3.415 -2.321 5.024 246 1HB ASN 31 2HB ASN 31 1.197 -1.508 5.474 247 2HB ASN 31 1HB ASN 31 1.267 -3.215 5.874 248 1HD2 ASN 31 1HD2 ASN 31 -0.292 -3.400 7.326 249 2HD2 ASN 31 2HD2 ASN 31 -0.384 -2.516 8.815 250 H LYS 32 H LYS 32 3.784 -1.519 8.407 251 HA LYS 32 HA LYS 32 4.119 1.258 8.152 252 1HB LYS 32 2HB LYS 32 3.870 0.111 10.321 253 2HB LYS 32 1HB LYS 32 5.425 -0.673 10.085 254 1HG LYS 32 2HG LYS 32 6.260 1.821 9.879 255 2HG LYS 32 1HG LYS 32 4.807 2.131 10.836 256 1HD LYS 32 2HD LYS 32 6.551 1.808 12.401 257 2HD LYS 32 1HD LYS 32 5.630 0.302 12.399 258 1HE LYS 32 2HE LYS 32 7.300 -0.605 10.760 259 2HE LYS 32 1HE LYS 32 8.258 0.850 11.026 260 1HZ LYS 32 1HZ LYS 32 8.116 0.186 13.488 261 2HZ LYS 32 2HZ LYS 32 9.174 -0.678 12.482 262 3HZ LYS 32 3HZ LYS 32 7.678 -1.351 12.906 263 H LYS 33 H LYS 33 6.391 -1.433 8.027 264 HA LYS 33 HA LYS 33 8.711 0.184 7.820 265 1HB LYS 33 2HB LYS 33 8.419 -2.256 8.639 266 2HB LYS 33 1HB LYS 33 8.562 -2.683 6.941 267 1HG LYS 33 2HG LYS 33 10.772 -1.899 6.821 268 2HG LYS 33 1HG LYS 33 10.626 -1.024 8.349 269 1HD LYS 33 2HD LYS 33 10.634 -4.021 7.981 270 2HD LYS 33 1HD LYS 33 11.915 -3.041 8.702 271 1HE LYS 33 2HE LYS 33 10.352 -2.347 10.471 272 2HE LYS 33 1HE LYS 33 9.112 -3.378 9.766 273 1HZ LYS 33 1HZ LYS 33 11.639 -4.196 11.069 274 2HZ LYS 33 2HZ LYS 33 10.726 -5.265 10.121 275 3HZ LYS 33 3HZ LYS 33 10.046 -4.583 11.519 276 H LEU 34 H LEU 34 6.379 -0.770 5.505 277 HA LEU 34 HA LEU 34 8.143 -0.426 3.244 278 1HB LEU 34 2HB LEU 34 5.127 -0.557 3.406 279 2HB LEU 34 1HB LEU 34 6.040 -0.477 1.910 280 HG LEU 34 HG LEU 34 6.177 -2.723 3.925 281 1HD1 LEU 34 1HD1 LEU 34 5.061 -4.036 2.178 282 2HD1 LEU 34 2HD1 LEU 34 4.895 -2.578 1.201 283 3HD1 LEU 34 3HD1 LEU 34 4.059 -2.702 2.748 284 1HD2 LEU 34 1HD2 LEU 34 7.492 -3.876 2.198 285 2HD2 LEU 34 2HD2 LEU 34 8.299 -2.421 2.782 286 3HD2 LEU 34 3HD2 LEU 34 7.480 -2.407 1.221 287 H VAL 35 H VAL 35 5.544 1.443 4.773 288 HA VAL 35 HA VAL 35 5.850 3.663 2.988 289 HB VAL 35 HB VAL 35 4.410 3.571 5.647 290 1HG1 VAL 35 1HG1 VAL 35 4.097 5.441 3.302 291 2HG1 VAL 35 2HG1 VAL 35 4.813 5.842 4.864 292 3HG1 VAL 35 3HG1 VAL 35 3.099 5.434 4.756 293 1HG2 VAL 35 1HG2 VAL 35 3.568 1.836 4.179 294 2HG2 VAL 35 2HG2 VAL 35 3.377 3.004 2.871 295 3HG2 VAL 35 3HG2 VAL 35 2.385 3.136 4.325 296 H GLU 36 H GLU 36 7.226 2.746 6.038 297 HA GLU 36 HA GLU 36 7.998 5.379 6.844 298 1HB GLU 36 2HB GLU 36 7.611 3.150 8.225 299 2HB GLU 36 1HB GLU 36 9.342 2.970 7.957 300 1HG GLU 36 2HG GLU 36 8.851 4.049 10.091 301 2HG GLU 36 1HG GLU 36 9.757 5.110 9.010 302 H GLU 37 H GLU 37 9.117 3.823 4.264 303 HA GLU 37 HA GLU 37 11.677 5.130 4.410 304 1HB GLU 37 2HB GLU 37 13.020 3.120 3.918 305 2HB GLU 37 1HB GLU 37 12.287 3.076 5.513 306 1HG GLU 37 2HG GLU 37 10.605 1.535 4.727 307 2HG GLU 37 1HG GLU 37 11.237 1.642 3.084 308 H PHE 38 H PHE 38 9.662 2.859 2.509 309 HA PHE 38 HA PHE 38 10.875 3.848 0.066 310 1HB PHE 38 2HB PHE 38 8.518 1.977 0.413 311 2HB PHE 38 1HB PHE 38 9.375 2.297 -1.090 312 HD1 PHE 38 1HD PHE 38 12.083 1.993 -0.714 313 HD2 PHE 38 2HD PHE 38 8.972 -0.049 1.355 314 HE1 PHE 38 1HE PHE 38 13.629 0.145 -0.221 315 HE2 PHE 38 2HE PHE 38 10.516 -1.900 1.851 316 HZ PHE 38 HZ PHE 38 12.847 -1.805 1.064 317 H SER 39 H SER 39 7.419 3.372 0.429 318 HA SER 39 HA SER 39 5.620 4.731 0.232 319 1HB SER 39 2HB SER 39 6.656 5.537 2.381 320 2HB SER 39 1HB SER 39 7.432 6.822 1.462 321 HG SER 39 HG SER 39 5.338 7.285 2.548 322 H THR 40 H THR 40 5.440 7.469 -0.137 323 HA THR 40 HA THR 40 6.960 8.308 -2.450 324 HB THR 40 HB THR 40 3.936 8.099 -2.640 325 HG1 THR 40 1HG THR 40 5.904 6.307 -3.249 326 1HG2 THR 40 1HG2 THR 40 4.263 8.777 -4.966 327 2HG2 THR 40 2HG2 THR 40 6.000 8.910 -4.687 328 3HG2 THR 40 3HG2 THR 40 4.888 10.000 -3.859 329 H VAL 41 H VAL 41 4.142 8.823 -0.399 330 HA VAL 41 HA VAL 41 5.338 11.114 0.797 331 HB VAL 41 HB VAL 41 4.397 12.255 -1.131 332 1HG1 VAL 41 1HG1 VAL 41 2.008 12.296 -1.605 333 2HG1 VAL 41 2HG1 VAL 41 1.724 11.125 -0.316 334 3HG1 VAL 41 3HG1 VAL 41 2.654 10.661 -1.742 335 1HG2 VAL 41 1HG2 VAL 41 3.011 13.900 0.006 336 2HG2 VAL 41 2HG2 VAL 41 4.374 13.407 1.013 337 3HG2 VAL 41 3HG2 VAL 41 2.761 12.776 1.342 338 H SER 42 H SER 42 5.036 10.574 2.846 339 HA SER 42 HA SER 42 2.952 8.719 3.544 340 1HB SER 42 2HB SER 42 4.984 10.036 5.354 341 2HB SER 42 1HB SER 42 4.061 8.568 5.681 342 HG SER 42 HG SER 42 6.409 8.723 4.548 343 H THR 43 H THR 43 3.507 12.129 3.899 344 HA THR 43 HA THR 43 2.408 13.820 4.945 345 HB THR 43 HB THR 43 -0.066 13.807 4.726 346 HG1 THR 43 1HG THR 43 0.419 11.109 4.282 347 1HG2 THR 43 1HG2 THR 43 1.304 14.555 2.861 348 2HG2 THR 43 2HG2 THR 43 -0.126 13.705 2.271 349 3HG2 THR 43 3HG2 THR 43 1.442 12.896 2.275 350 H LYS 44 H LYS 44 -0.404 12.914 6.194 351 HA LYS 44 HA LYS 44 0.791 12.447 8.835 352 1HB LYS 44 2HB LYS 44 -1.882 13.602 8.043 353 2HB LYS 44 1HB LYS 44 -1.438 13.225 9.702 354 1HG LYS 44 2HG LYS 44 0.004 15.171 7.911 355 2HG LYS 44 1HG LYS 44 -1.139 15.596 9.187 356 1HD LYS 44 2HD LYS 44 0.317 14.658 10.865 357 2HD LYS 44 1HD LYS 44 1.417 14.059 9.623 358 1HE LYS 44 2HE LYS 44 0.783 16.969 10.095 359 2HE LYS 44 1HE LYS 44 2.203 16.138 10.724 360 1HZ LYS 44 1HZ LYS 44 1.548 16.376 7.832 361 2HZ LYS 44 2HZ LYS 44 2.967 15.731 8.507 362 3HZ LYS 44 3HZ LYS 44 2.632 17.386 8.660 363 H HIS 45 H HIS 45 -2.240 11.580 7.136 364 HA HIS 45 HA HIS 45 -2.257 9.126 8.761 365 1HB HIS 45 2HB HIS 45 -4.425 10.899 7.759 366 2HB HIS 45 1HB HIS 45 -4.778 9.185 7.958 367 HD1 HIS 45 1HD HIS 45 -4.725 12.301 9.792 368 HD2 HIS 45 2HD HIS 45 -4.179 8.277 10.708 369 HE1 HIS 45 1HE HIS 45 -5.035 12.118 12.287 370 HE2 HIS 45 2HE HIS 45 -4.671 9.678 12.824 371 H LEU 46 H LEU 46 -1.727 10.140 5.601 372 HA LEU 46 HA LEU 46 -3.001 8.065 4.167 373 1HB LEU 46 2HB LEU 46 -2.073 10.098 3.104 374 2HB LEU 46 1HB LEU 46 -0.457 9.521 3.454 375 HG LEU 46 HG LEU 46 -0.837 7.577 1.985 376 1HD1 LEU 46 1HD1 LEU 46 -3.254 7.393 2.216 377 2HD1 LEU 46 2HD1 LEU 46 -2.800 7.542 0.518 378 3HD1 LEU 46 3HD1 LEU 46 -3.463 8.930 1.380 379 1HD2 LEU 46 1HD2 LEU 46 -1.374 10.249 0.692 380 2HD2 LEU 46 2HD2 LEU 46 -0.794 8.804 -0.135 381 3HD2 LEU 46 3HD2 LEU 46 0.212 9.584 1.087 382 H ARG 47 H ARG 47 0.103 8.322 5.793 383 HA ARG 47 HA ARG 47 1.422 6.038 5.082 384 1HB ARG 47 2HB ARG 47 2.484 7.445 6.651 385 2HB ARG 47 1HB ARG 47 1.114 7.396 7.751 386 1HG ARG 47 2HG ARG 47 1.642 4.944 8.091 387 2HG ARG 47 1HG ARG 47 3.154 5.251 7.238 388 1HD ARG 47 2HD ARG 47 2.373 6.978 9.547 389 2HD ARG 47 1HD ARG 47 3.060 5.386 9.847 390 HE ARG 47 HE ARG 47 5.101 6.101 8.943 391 1HH1 ARG 47 1HH1 ARG 47 2.707 8.677 8.935 392 2HH1 ARG 47 2HH1 ARG 47 3.886 9.935 8.715 393 1HH2 ARG 47 1HH2 ARG 47 6.632 7.748 8.687 394 2HH2 ARG 47 2HH2 ARG 47 6.109 9.407 8.555 395 H ASN 48 H ASN 48 -1.122 6.281 7.556 396 HA ASN 48 HA ASN 48 -1.009 3.466 8.127 397 1HB ASN 48 2HB ASN 48 -2.919 5.616 9.057 398 2HB ASN 48 1HB ASN 48 -2.915 3.959 9.653 399 1HD2 ASN 48 1HD2 ASN 48 -1.295 3.283 11.029 400 2HD2 ASN 48 2HD2 ASN 48 -0.197 4.385 11.786 401 H LYS 49 H LYS 49 -2.957 5.540 6.116 402 HA LYS 49 HA LYS 49 -5.134 3.695 5.853 403 1HB LYS 49 2HB LYS 49 -4.414 6.326 4.708 404 2HB LYS 49 1HB LYS 49 -5.408 5.300 3.687 405 1HG LYS 49 2HG LYS 49 -6.763 6.821 5.013 406 2HG LYS 49 1HG LYS 49 -7.079 5.141 5.448 407 1HD LYS 49 2HD LYS 49 -5.686 5.363 7.422 408 2HD LYS 49 1HD LYS 49 -5.266 7.015 6.967 409 1HE LYS 49 2HE LYS 49 -6.981 7.043 8.678 410 2HE LYS 49 1HE LYS 49 -7.633 7.652 7.158 411 1HZ LYS 49 1HZ LYS 49 -8.559 5.389 6.779 412 2HZ LYS 49 2HZ LYS 49 -9.226 6.197 8.108 413 3HZ LYS 49 3HZ LYS 49 -8.082 4.968 8.353 414 H ILE 50 H ILE 50 -2.460 4.722 3.754 415 HA ILE 50 HA ILE 50 -3.104 2.908 1.690 416 HB ILE 50 HB ILE 50 -1.643 5.016 1.545 417 1HG1 ILE 50 2HG1 ILE 50 -0.693 2.474 0.229 418 2HG1 ILE 50 1HG1 ILE 50 -2.087 3.425 -0.279 419 1HG2 ILE 50 1HG2 ILE 50 0.759 4.698 1.764 420 2HG2 ILE 50 2HG2 ILE 50 0.504 3.051 2.342 421 3HG2 ILE 50 3HG2 ILE 50 -0.046 4.419 3.309 422 1HD1 ILE 50 1HD1 ILE 50 -0.624 5.297 -0.796 423 2HD1 ILE 50 2HD1 ILE 50 -0.150 3.850 -1.684 424 3HD1 ILE 50 3HD1 ILE 50 0.774 4.359 -0.270 425 H ALA 51 H ALA 51 -1.089 2.687 4.553 426 HA ALA 51 HA ALA 51 0.195 0.248 3.944 427 1HB ALA 51 1HB ALA 51 -0.508 1.370 6.652 428 2HB ALA 51 2HB ALA 51 0.945 1.755 5.730 429 3HB ALA 51 3HB ALA 51 0.684 0.113 6.319 430 H GLY 52 H GLY 52 -2.841 1.013 5.586 431 1HA GLY 52 2HA GLY 52 -3.595 -1.608 6.263 432 2HA GLY 52 1HA GLY 52 -4.704 -0.271 5.984 433 H TYR 53 H TYR 53 -4.117 0.290 3.342 434 HA TYR 53 HA TYR 53 -5.638 -1.614 1.940 435 1HB TYR 53 2HB TYR 53 -5.505 0.733 1.256 436 2HB TYR 53 1HB TYR 53 -3.793 0.547 0.887 437 HD1 TYR 53 1HD TYR 53 -3.233 0.278 -1.321 438 HD2 TYR 53 2HD TYR 53 -7.049 -1.077 -0.010 439 HE1 TYR 53 1HE TYR 53 -3.792 -0.365 -3.625 440 HE2 TYR 53 2HE TYR 53 -7.618 -1.723 -2.314 441 HH TYR 53 HH TYR 53 -6.966 -1.220 -4.588 442 H ILE 54 H ILE 54 -2.131 -1.004 2.018 443 HA ILE 54 HA ILE 54 -1.278 -2.924 0.202 444 HB ILE 54 HB ILE 54 0.059 -2.095 2.787 445 1HG1 ILE 54 2HG1 ILE 54 0.546 -1.171 -0.052 446 2HG1 ILE 54 1HG1 ILE 54 -0.368 -0.271 1.156 447 1HG2 ILE 54 1HG2 ILE 54 1.229 -3.532 0.410 448 2HG2 ILE 54 2HG2 ILE 54 0.941 -4.231 2.001 449 3HG2 ILE 54 3HG2 ILE 54 2.136 -2.947 1.803 450 1HD1 ILE 54 1HD1 ILE 54 2.538 -1.023 1.359 451 2HD1 ILE 54 2HD1 ILE 54 1.621 -0.086 2.539 452 3HD1 ILE 54 3HD1 ILE 54 1.908 0.566 0.926 453 H THR 55 H THR 55 -1.534 -3.314 3.737 454 HA THR 55 HA THR 55 -0.965 -6.024 3.870 455 HB THR 55 HB THR 55 -2.966 -4.740 5.711 456 HG1 THR 55 1HG THR 55 -1.317 -3.201 5.497 457 1HG2 THR 55 1HG2 THR 55 -2.384 -7.092 6.082 458 2HG2 THR 55 2HG2 THR 55 -1.790 -6.076 7.395 459 3HG2 THR 55 3HG2 THR 55 -0.676 -6.657 6.158 460 H ARG 56 H ARG 56 -4.059 -4.391 3.349 461 HA ARG 56 HA ARG 56 -5.756 -6.599 3.590 462 1HB ARG 56 2HB ARG 56 -6.465 -4.215 3.507 463 2HB ARG 56 1HB ARG 56 -6.111 -4.199 1.785 464 1HG ARG 56 2HG ARG 56 -7.838 -5.812 1.362 465 2HG ARG 56 1HG ARG 56 -8.124 -6.012 3.093 466 1HD ARG 56 2HD ARG 56 -8.771 -3.629 3.224 467 2HD ARG 56 1HD ARG 56 -8.580 -3.510 1.474 468 HE ARG 56 HE ARG 56 -10.321 -5.460 1.556 469 1HH1 ARG 56 1HH1 ARG 56 -10.241 -2.563 3.541 470 2HH1 ARG 56 2HH1 ARG 56 -11.957 -2.559 3.820 471 1HH2 ARG 56 1HH2 ARG 56 -12.571 -5.442 1.910 472 2HH2 ARG 56 2HH2 ARG 56 -13.287 -4.193 2.880 473 H ILE 57 H ILE 57 -3.970 -5.363 0.790 474 HA ILE 57 HA ILE 57 -5.043 -7.210 -1.086 475 HB ILE 57 HB ILE 57 -2.380 -5.775 -1.146 476 1HG1 ILE 57 2HG1 ILE 57 -5.020 -5.051 -2.441 477 2HG1 ILE 57 1HG1 ILE 57 -4.326 -4.254 -1.030 478 1HG2 ILE 57 1HG2 ILE 57 -2.356 -7.669 -2.643 479 2HG2 ILE 57 2HG2 ILE 57 -2.471 -6.179 -3.579 480 3HG2 ILE 57 3HG2 ILE 57 -3.903 -7.180 -3.337 481 1HD1 ILE 57 1HD1 ILE 57 -2.422 -3.537 -2.389 482 2HD1 ILE 57 2HD1 ILE 57 -3.954 -2.951 -3.035 483 3HD1 ILE 57 3HD1 ILE 57 -3.142 -4.318 -3.798 484 H ILE 58 H ILE 58 -2.192 -7.219 0.998 485 HA ILE 58 HA ILE 58 -1.042 -9.587 -0.023 486 HB ILE 58 HB ILE 58 -0.715 -8.411 2.743 487 1HG1 ILE 58 2HG1 ILE 58 -0.123 -6.794 0.999 488 2HG1 ILE 58 1HG1 ILE 58 1.323 -7.367 1.823 489 1HG2 ILE 58 1HG2 ILE 58 0.026 -10.709 2.654 490 2HG2 ILE 58 2HG2 ILE 58 1.424 -9.637 2.735 491 3HG2 ILE 58 3HG2 ILE 58 0.970 -10.380 1.201 492 1HD1 ILE 58 1HD1 ILE 58 1.768 -8.887 -0.043 493 2HD1 ILE 58 2HD1 ILE 58 1.698 -7.201 -0.558 494 3HD1 ILE 58 3HD1 ILE 58 0.335 -8.275 -0.870 495 H SER 59 H SER 59 -3.143 -9.000 2.793 496 HA SER 59 HA SER 59 -3.333 -11.627 3.711 497 1HB SER 59 2HB SER 59 -5.545 -9.561 3.758 498 2HB SER 59 1HB SER 59 -5.346 -10.928 4.855 499 HG SER 59 HG SER 59 -3.151 -9.779 5.222 500 H GLN 60 H GLN 60 -5.105 -9.960 1.158 501 HA GLN 60 HA GLN 60 -7.014 -11.993 0.665 502 1HB GLN 60 2HB GLN 60 -7.237 -9.651 -0.102 503 2HB GLN 60 1HB GLN 60 -5.923 -9.911 -1.240 504 1HG GLN 60 2HG GLN 60 -7.277 -11.633 -2.365 505 2HG GLN 60 1HG GLN 60 -8.604 -11.283 -1.256 506 1HE2 GLN 60 1HE2 GLN 60 -7.945 -8.419 -1.231 507 2HE2 GLN 60 2HE2 GLN 60 -8.512 -7.782 -2.739 508 H GLN 61 H GLN 61 -3.784 -11.379 -0.537 509 HA GLN 61 HA GLN 61 -3.815 -13.433 -2.533 510 1HB GLN 61 2HB GLN 61 -2.384 -11.485 -2.771 511 2HB GLN 61 1HB GLN 61 -1.581 -11.843 -1.254 512 1HG GLN 61 2HG GLN 61 -1.459 -13.850 -3.447 513 2HG GLN 61 1HG GLN 61 -0.464 -12.400 -3.556 514 1HE2 GLN 61 1HE2 GLN 61 -0.214 -12.287 -0.599 515 2HE2 GLN 61 2HE2 GLN 61 0.938 -13.507 -0.192 516 H LYS 62 H LYS 62 -3.236 -13.284 0.834 517 HA LYS 62 HA LYS 62 -1.502 -15.534 1.077 518 1HB LYS 62 2HB LYS 62 -1.586 -13.661 2.680 519 2HB LYS 62 1HB LYS 62 -3.213 -14.136 3.134 520 1HG LYS 62 2HG LYS 62 -2.435 -16.136 4.155 521 2HG LYS 62 1HG LYS 62 -0.813 -15.917 3.481 522 1HD LYS 62 2HD LYS 62 -0.500 -13.908 4.796 523 2HD LYS 62 1HD LYS 62 -2.150 -14.018 5.405 524 1HE LYS 62 2HE LYS 62 -1.626 -16.035 6.603 525 2HE LYS 62 1HE LYS 62 -0.011 -16.081 5.890 526 1HZ LYS 62 1HZ LYS 62 -0.370 -15.086 8.258 527 2HZ LYS 62 2HZ LYS 62 -0.834 -13.696 7.406 528 3HZ LYS 62 3HZ LYS 62 0.715 -14.352 7.183
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