![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
11751 |
1ryk ![]() ![]() |
5105 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -1.026 -10.659 19.205 2 2H MET 1 2HT MET 1 -0.955 -12.131 18.366 3 3H MET 1 3HT MET 1 -1.468 -10.725 17.568 4 HA MET 1 HA MET 1 1.245 -11.212 18.654 5 1HB MET 1 2HB MET 1 0.228 -11.072 15.803 6 2HB MET 1 1HB MET 1 1.919 -11.174 16.266 7 1HG MET 1 2HG MET 1 1.559 -13.359 17.239 8 2HG MET 1 1HG MET 1 -0.163 -13.257 16.879 9 1HE MET 1 1HE MET 1 -0.035 -15.635 15.669 10 2HE MET 1 2HE MET 1 1.687 -15.713 16.043 11 3HE MET 1 3HE MET 1 1.129 -16.010 14.397 12 H ASN 2 H ASN 2 2.529 -9.456 18.806 13 HA ASN 2 HA ASN 2 1.369 -6.869 18.616 14 1HB ASN 2 2HB ASN 2 4.220 -7.772 19.031 15 2HB ASN 2 1HB ASN 2 3.734 -6.082 19.042 16 1HD2 ASN 2 1HD2 ASN 2 3.668 -9.098 20.741 17 2HD2 ASN 2 2HD2 ASN 2 3.085 -8.463 22.248 18 H LYS 3 H LYS 3 2.234 -5.103 17.298 19 HA LYS 3 HA LYS 3 2.197 -5.768 14.552 20 1HB LYS 3 2HB LYS 3 1.449 -3.589 15.506 21 2HB LYS 3 1HB LYS 3 3.128 -3.193 15.842 22 1HG LYS 3 2HG LYS 3 2.392 -2.096 13.824 23 2HG LYS 3 1HG LYS 3 3.622 -3.302 13.445 24 1HD LYS 3 2HD LYS 3 1.946 -4.842 12.666 25 2HD LYS 3 1HD LYS 3 0.651 -3.769 13.203 26 1HE LYS 3 2HE LYS 3 2.683 -3.151 11.060 27 2HE LYS 3 1HE LYS 3 1.000 -3.611 10.784 28 1HZ LYS 3 1HZ LYS 3 1.564 -1.309 12.509 29 2HZ LYS 3 2HZ LYS 3 0.235 -1.599 11.500 30 3HZ LYS 3 3HZ LYS 3 1.723 -1.113 10.838 31 H ASP 4 H ASP 4 3.774 -6.446 13.277 32 HA ASP 4 HA ASP 4 6.378 -6.918 14.310 33 1HB ASP 4 2HB ASP 4 5.184 -8.327 12.594 34 2HB ASP 4 1HB ASP 4 5.512 -7.058 11.417 35 H GLU 5 H GLU 5 8.357 -6.266 13.047 36 HA GLU 5 HA GLU 5 8.557 -3.436 13.284 37 1HB GLU 5 2HB GLU 5 10.317 -5.114 13.938 38 2HB GLU 5 1HB GLU 5 10.620 -5.372 12.227 39 1HG GLU 5 2HG GLU 5 11.383 -3.135 11.949 40 2HG GLU 5 1HG GLU 5 10.869 -2.702 13.580 41 H ALA 6 H ALA 6 8.992 -1.912 11.716 42 HA ALA 6 HA ALA 6 8.169 -2.636 9.013 43 1HB ALA 6 1HB ALA 6 7.118 -0.703 10.112 44 2HB ALA 6 2HB ALA 6 7.969 -0.242 8.639 45 3HB ALA 6 3HB ALA 6 8.693 0.084 10.213 46 H GLY 7 H GLY 7 10.688 -3.615 9.789 47 1HA GLY 7 2HA GLY 7 12.472 -1.995 8.077 48 2HA GLY 7 1HA GLY 7 13.044 -2.760 9.551 49 H GLY 8 H GLY 8 13.154 -3.038 6.331 50 1HA GLY 8 2HA GLY 8 14.156 -4.801 5.156 51 2HA GLY 8 1HA GLY 8 13.815 -5.874 6.508 52 H ASN 9 H ASN 9 11.426 -6.296 6.866 53 HA ASN 9 HA ASN 9 10.289 -7.403 4.522 54 1HB ASN 9 2HB ASN 9 8.296 -7.798 5.983 55 2HB ASN 9 1HB ASN 9 9.807 -8.384 6.666 56 1HD2 ASN 9 1HD2 ASN 9 7.194 -6.152 7.011 57 2HD2 ASN 9 2HD2 ASN 9 7.662 -5.528 8.557 58 H TRP 10 H TRP 10 10.093 -4.315 5.996 59 HA TRP 10 HA TRP 10 7.670 -3.441 4.851 60 1HB TRP 10 2HB TRP 10 8.630 -2.223 6.706 61 2HB TRP 10 1HB TRP 10 10.089 -1.884 5.779 62 HD1 TRP 10 HD TRP 10 9.998 0.680 5.503 63 HE1 TRP 10 1HE TRP 10 8.317 2.331 4.470 64 HE3 TRP 10 3HE TRP 10 6.098 -2.525 4.724 65 HZ2 TRP 10 2HZ TRP 10 5.685 2.268 3.454 66 HZ3 TRP 10 3HZ TRP 10 4.032 -1.653 3.713 67 HH2 TRP 10 HH TRP 10 3.833 0.700 3.092 68 H LYS 11 H LYS 11 11.000 -3.510 3.687 69 HA LYS 11 HA LYS 11 10.637 -1.880 1.418 70 1HB LYS 11 2HB LYS 11 12.842 -2.644 2.365 71 2HB LYS 11 1HB LYS 11 12.535 -4.222 1.653 72 1HG LYS 11 2HG LYS 11 12.512 -3.241 -0.568 73 2HG LYS 11 1HG LYS 11 12.750 -1.636 0.126 74 1HD LYS 11 2HD LYS 11 14.895 -2.426 1.092 75 2HD LYS 11 1HD LYS 11 14.663 -3.964 0.257 76 1HE LYS 11 2HE LYS 11 14.664 -2.809 -1.889 77 2HE LYS 11 1HE LYS 11 14.852 -1.260 -1.070 78 1HZ LYS 11 1HZ LYS 11 16.979 -2.140 -0.153 79 2HZ LYS 11 2HZ LYS 11 16.971 -1.937 -1.836 80 3HZ LYS 11 3HZ LYS 11 16.811 -3.487 -1.175 81 H GLN 12 H GLN 12 9.854 -5.181 2.112 82 HA GLN 12 HA GLN 12 9.348 -6.075 -0.521 83 1HB GLN 12 2HB GLN 12 9.646 -7.689 1.229 84 2HB GLN 12 1HB GLN 12 8.334 -6.996 2.170 85 1HG GLN 12 2HG GLN 12 6.756 -7.690 0.385 86 2HG GLN 12 1HG GLN 12 8.097 -8.497 -0.430 87 1HE2 GLN 12 1HE2 GLN 12 7.105 -10.518 -0.242 88 2HE2 GLN 12 2HE2 GLN 12 7.002 -11.351 1.268 89 H PHE 13 H PHE 13 7.166 -4.804 2.030 90 HA PHE 13 HA PHE 13 4.908 -4.972 0.254 91 1HB PHE 13 2HB PHE 13 5.209 -3.840 3.024 92 2HB PHE 13 1HB PHE 13 3.691 -3.766 2.114 93 HD1 PHE 13 1HD PHE 13 2.926 -5.961 1.030 94 HD2 PHE 13 2HD PHE 13 5.649 -5.684 4.270 95 HE1 PHE 13 1HE PHE 13 2.540 -8.298 1.516 96 HE2 PHE 13 2HE PHE 13 5.258 -8.043 4.795 97 HZ PHE 13 HZ PHE 13 3.690 -9.377 3.427 98 H LYS 14 H LYS 14 7.068 -2.458 1.260 99 HA LYS 14 HA LYS 14 5.754 -0.263 0.133 100 1HB LYS 14 2HB LYS 14 7.919 -0.143 1.388 101 2HB LYS 14 1HB LYS 14 8.730 -0.805 -0.025 102 1HG LYS 14 2HG LYS 14 8.013 1.139 -1.337 103 2HG LYS 14 1HG LYS 14 7.227 1.802 0.096 104 1HD LYS 14 2HD LYS 14 9.362 2.863 -0.155 105 2HD LYS 14 1HD LYS 14 9.440 1.781 1.239 106 1HE LYS 14 2HE LYS 14 10.474 0.062 -0.232 107 2HE LYS 14 1HE LYS 14 10.513 1.256 -1.529 108 1HZ LYS 14 1HZ LYS 14 11.903 1.472 1.087 109 2HZ LYS 14 2HZ LYS 14 11.915 2.658 -0.127 110 3HZ LYS 14 3HZ LYS 14 12.632 1.147 -0.412 111 H GLY 15 H GLY 15 7.848 -2.691 -1.354 112 1HA GLY 15 2HA GLY 15 7.500 -1.698 -4.010 113 2HA GLY 15 1HA GLY 15 8.183 -3.254 -3.559 114 H LYS 16 H LYS 16 5.975 -4.244 -2.080 115 HA LYS 16 HA LYS 16 4.544 -5.505 -4.113 116 1HB LYS 16 2HB LYS 16 4.910 -6.021 -1.528 117 2HB LYS 16 1HB LYS 16 3.332 -5.255 -1.401 118 1HG LYS 16 2HG LYS 16 3.114 -7.662 -1.559 119 2HG LYS 16 1HG LYS 16 2.414 -6.882 -2.981 120 1HD LYS 16 2HD LYS 16 4.458 -7.358 -4.241 121 2HD LYS 16 1HD LYS 16 5.156 -8.136 -2.822 122 1HE LYS 16 2HE LYS 16 3.424 -9.831 -2.870 123 2HE LYS 16 1HE LYS 16 2.645 -9.025 -4.232 124 1HZ LYS 16 1HZ LYS 16 4.507 -9.509 -5.617 125 2HZ LYS 16 2HZ LYS 16 4.050 -10.953 -4.859 126 3HZ LYS 16 3HZ LYS 16 5.411 -10.106 -4.313 127 H VAL 17 H VAL 17 3.413 -3.001 -1.830 128 HA VAL 17 HA VAL 17 0.903 -2.595 -3.028 129 HB VAL 17 HB VAL 17 2.554 -0.550 -1.527 130 1HG1 VAL 17 1HG1 VAL 17 -0.407 -0.693 -2.087 131 2HG1 VAL 17 2HG1 VAL 17 0.731 0.488 -2.736 132 3HG1 VAL 17 3HG1 VAL 17 0.365 0.469 -1.010 133 1HG2 VAL 17 1HG2 VAL 17 1.310 -1.249 0.449 134 2HG2 VAL 17 2HG2 VAL 17 2.227 -2.597 -0.228 135 3HG2 VAL 17 3HG2 VAL 17 0.487 -2.489 -0.497 136 H LYS 18 H LYS 18 4.053 -1.095 -3.700 137 HA LYS 18 HA LYS 18 3.006 0.813 -5.533 138 1HB LYS 18 2HB LYS 18 5.792 -0.183 -4.980 139 2HB LYS 18 1HB LYS 18 5.460 0.986 -6.253 140 1HG LYS 18 2HG LYS 18 4.676 2.597 -4.706 141 2HG LYS 18 1HG LYS 18 4.608 1.413 -3.401 142 1HD LYS 18 2HD LYS 18 6.531 2.741 -3.013 143 2HD LYS 18 1HD LYS 18 7.104 1.188 -3.618 144 1HE LYS 18 2HE LYS 18 7.307 2.189 -5.869 145 2HE LYS 18 1HE LYS 18 6.837 3.748 -5.188 146 1HZ LYS 18 1HZ LYS 18 8.782 3.643 -3.727 147 2HZ LYS 18 2HZ LYS 18 9.236 3.578 -5.360 148 3HZ LYS 18 3HZ LYS 18 9.240 2.166 -4.426 149 H GLU 19 H GLU 19 3.566 -2.539 -5.833 150 HA GLU 19 HA GLU 19 3.657 -2.435 -8.737 151 1HB GLU 19 2HB GLU 19 3.355 -4.765 -6.835 152 2HB GLU 19 1HB GLU 19 3.449 -4.915 -8.584 153 1HG GLU 19 2HG GLU 19 5.690 -3.852 -8.491 154 2HG GLU 19 1HG GLU 19 5.584 -3.898 -6.731 155 H GLN 20 H GLN 20 1.400 -3.411 -6.203 156 HA GLN 20 HA GLN 20 -0.696 -4.107 -7.988 157 1HB GLN 20 2HB GLN 20 -1.205 -5.184 -6.103 158 2HB GLN 20 1HB GLN 20 -0.174 -4.143 -5.148 159 1HG GLN 20 2HG GLN 20 -2.340 -4.024 -4.240 160 2HG GLN 20 1HG GLN 20 -2.028 -2.499 -5.055 161 1HE2 GLN 20 1HE2 GLN 20 -4.172 -2.030 -5.175 162 2HE2 GLN 20 2HE2 GLN 20 -5.254 -2.825 -6.246 163 H TRP 21 H TRP 21 -0.220 -1.249 -5.875 164 HA TRP 21 HA TRP 21 -2.260 0.134 -7.442 165 1HB TRP 21 2HB TRP 21 -0.938 0.743 -4.810 166 2HB TRP 21 1HB TRP 21 -1.735 2.020 -5.709 167 HD1 TRP 21 HD TRP 21 -4.401 1.675 -6.183 168 HE1 TRP 21 1HE TRP 21 -6.195 0.472 -4.786 169 HE3 TRP 21 3HE TRP 21 -1.327 -1.129 -3.217 170 HZ2 TRP 21 2HZ TRP 21 -6.272 -1.425 -2.689 171 HZ3 TRP 21 3HZ TRP 21 -2.344 -2.614 -1.543 172 HH2 TRP 21 HH TRP 21 -4.766 -2.756 -1.285 173 H GLY 22 H GLY 22 0.832 1.355 -6.127 174 1HA GLY 22 2HA GLY 22 2.738 1.825 -7.468 175 2HA GLY 22 1HA GLY 22 1.706 1.813 -8.886 176 H LYS 23 H LYS 23 -0.274 3.602 -7.555 177 HA LYS 23 HA LYS 23 0.842 6.080 -8.390 178 1HB LYS 23 2HB LYS 23 -1.725 5.067 -7.606 179 2HB LYS 23 1HB LYS 23 -1.408 6.563 -6.740 180 1HG LYS 23 2HG LYS 23 -0.976 6.426 -9.691 181 2HG LYS 23 1HG LYS 23 -2.601 6.630 -9.034 182 1HD LYS 23 2HD LYS 23 -1.966 8.646 -7.912 183 2HD LYS 23 1HD LYS 23 -0.269 8.402 -8.324 184 1HE LYS 23 2HE LYS 23 -0.762 8.689 -10.673 185 2HE LYS 23 1HE LYS 23 -2.484 8.816 -10.325 186 1HZ LYS 23 1HZ LYS 23 -1.409 10.973 -10.701 187 2HZ LYS 23 2HZ LYS 23 -0.419 10.718 -9.348 188 3HZ LYS 23 3HZ LYS 23 -2.100 10.863 -9.158 189 H LEU 24 H LEU 24 0.654 4.402 -5.389 190 HA LEU 24 HA LEU 24 1.091 6.650 -3.687 191 1HB LEU 24 2HB LEU 24 1.403 3.692 -3.189 192 2HB LEU 24 1HB LEU 24 1.501 4.930 -1.950 193 HG LEU 24 HG LEU 24 -0.933 4.294 -3.619 194 1HD1 LEU 24 1HD1 LEU 24 -0.322 3.799 -0.713 195 2HD1 LEU 24 2HD1 LEU 24 -0.469 2.575 -1.976 196 3HD1 LEU 24 3HD1 LEU 24 -1.878 3.523 -1.496 197 1HD2 LEU 24 1HD2 LEU 24 -2.099 5.874 -2.203 198 2HD2 LEU 24 2HD2 LEU 24 -0.768 6.673 -3.040 199 3HD2 LEU 24 3HD2 LEU 24 -0.604 6.235 -1.338 200 H THR 25 H THR 25 2.934 7.441 -2.860 201 HA THR 25 HA THR 25 5.420 6.509 -4.113 202 HB THR 25 HB THR 25 6.348 8.671 -3.503 203 HG1 THR 25 1HG THR 25 3.810 9.130 -2.242 204 1HG2 THR 25 1HG2 THR 25 5.072 8.555 -5.569 205 2HG2 THR 25 2HG2 THR 25 4.846 10.130 -4.807 206 3HG2 THR 25 3HG2 THR 25 3.583 8.902 -4.691 207 H ASP 26 H ASP 26 7.391 6.962 -2.587 208 HA ASP 26 HA ASP 26 7.311 4.993 -0.611 209 1HB ASP 26 2HB ASP 26 9.324 7.226 -0.917 210 2HB ASP 26 1HB ASP 26 9.565 5.734 -0.010 211 H ASP 27 H ASP 27 6.785 8.454 -0.394 212 HA ASP 27 HA ASP 27 6.853 8.575 2.453 213 1HB ASP 27 2HB ASP 27 7.107 10.630 1.273 214 2HB ASP 27 1HB ASP 27 5.589 10.406 0.412 215 H ASP 28 H ASP 28 4.247 8.143 0.084 216 HA ASP 28 HA ASP 28 2.093 8.076 1.892 217 1HB ASP 28 2HB ASP 28 2.471 6.485 -0.650 218 2HB ASP 28 1HB ASP 28 0.955 6.664 0.200 219 H MET 29 H MET 29 4.241 5.635 0.654 220 HA MET 29 HA MET 29 3.126 3.360 1.725 221 1HB MET 29 2HB MET 29 6.062 3.965 1.366 222 2HB MET 29 1HB MET 29 5.341 2.381 1.542 223 1HG MET 29 2HG MET 29 4.386 4.082 -0.674 224 2HG MET 29 1HG MET 29 5.989 3.361 -0.806 225 1HE MET 29 1HE MET 29 2.050 0.993 -0.464 226 2HE MET 29 2HE MET 29 2.178 2.757 -0.450 227 3HE MET 29 3HE MET 29 2.739 1.812 0.933 228 H THR 30 H THR 30 5.628 5.445 3.199 229 HA THR 30 HA THR 30 5.969 3.777 5.445 230 HB THR 30 HB THR 30 7.670 5.432 4.726 231 HG1 THR 30 1HG THR 30 6.760 5.073 7.318 232 1HG2 THR 30 1HG2 THR 30 6.234 7.342 4.259 233 2HG2 THR 30 2HG2 THR 30 7.450 7.768 5.464 234 3HG2 THR 30 3HG2 THR 30 5.790 7.445 5.963 235 H ILE 31 H ILE 31 3.615 6.264 4.771 236 HA ILE 31 HA ILE 31 2.826 6.572 7.516 237 HB ILE 31 HB ILE 31 0.847 7.117 5.361 238 1HG1 ILE 31 2HG1 ILE 31 3.351 8.789 5.769 239 2HG1 ILE 31 1HG1 ILE 31 2.882 7.931 4.307 240 1HG2 ILE 31 1HG2 ILE 31 1.748 8.617 7.819 241 2HG2 ILE 31 2HG2 ILE 31 0.325 7.584 7.685 242 3HG2 ILE 31 3HG2 ILE 31 0.415 9.086 6.764 243 1HD1 ILE 31 1HD1 ILE 31 1.406 10.242 5.536 244 2HD1 ILE 31 2HD1 ILE 31 0.935 9.374 4.077 245 3HD1 ILE 31 3HD1 ILE 31 2.437 10.300 4.107 246 H ILE 32 H ILE 32 2.059 4.439 4.882 247 HA ILE 32 HA ILE 32 -0.291 3.318 6.122 248 HB ILE 32 HB ILE 32 1.345 2.187 3.841 249 1HG1 ILE 32 2HG1 ILE 32 -1.132 3.919 3.724 250 2HG1 ILE 32 1HG1 ILE 32 0.501 4.480 3.378 251 1HG2 ILE 32 1HG2 ILE 32 -0.710 0.970 3.286 252 2HG2 ILE 32 2HG2 ILE 32 -1.498 1.659 4.704 253 3HG2 ILE 32 3HG2 ILE 32 -0.131 0.560 4.903 254 1HD1 ILE 32 1HD1 ILE 32 -0.994 2.363 1.858 255 2HD1 ILE 32 2HD1 ILE 32 0.639 2.928 1.506 256 3HD1 ILE 32 3HD1 ILE 32 -0.731 4.028 1.341 257 H GLU 33 H GLU 33 2.729 1.749 5.085 258 HA GLU 33 HA GLU 33 4.152 0.264 6.058 259 1HB GLU 33 2HB GLU 33 4.483 1.807 7.815 260 2HB GLU 33 1HB GLU 33 2.895 1.497 8.500 261 1HG GLU 33 2HG GLU 33 4.005 -0.950 8.678 262 2HG GLU 33 1HG GLU 33 5.428 0.076 8.863 263 H GLY 34 H GLY 34 1.154 0.035 7.966 264 1HA GLY 34 2HA GLY 34 0.626 -2.613 6.974 265 2HA GLY 34 1HA GLY 34 1.184 -2.596 8.644 266 H LYS 35 H LYS 35 -0.486 0.218 7.796 267 HA LYS 35 HA LYS 35 -2.768 -0.662 9.359 268 1HB LYS 35 2HB LYS 35 -1.891 2.037 8.357 269 2HB LYS 35 1HB LYS 35 -3.490 1.777 9.033 270 1HG LYS 35 2HG LYS 35 -2.295 2.571 10.835 271 2HG LYS 35 1HG LYS 35 -2.230 0.824 11.071 272 1HD LYS 35 2HD LYS 35 0.004 0.738 10.178 273 2HD LYS 35 1HD LYS 35 -0.064 2.445 9.740 274 1HE LYS 35 2HE LYS 35 -0.391 2.951 12.181 275 2HE LYS 35 1HE LYS 35 -0.048 1.253 12.506 276 1HZ LYS 35 1HZ LYS 35 1.783 3.217 11.237 277 2HZ LYS 35 2HZ LYS 35 2.126 1.562 11.418 278 3HZ LYS 35 3HZ LYS 35 1.934 2.547 12.788 279 H ARG 36 H ARG 36 -4.498 -1.454 8.465 280 HA ARG 36 HA ARG 36 -5.039 -1.504 5.705 281 1HB ARG 36 2HB ARG 36 -6.022 -3.169 7.120 282 2HB ARG 36 1HB ARG 36 -6.796 -1.955 8.123 283 1HG ARG 36 2HG ARG 36 -7.550 -2.076 5.252 284 2HG ARG 36 1HG ARG 36 -8.131 -3.351 6.326 285 1HD ARG 36 2HD ARG 36 -8.980 -1.539 7.847 286 2HD ARG 36 1HD ARG 36 -8.576 -0.381 6.587 287 HE ARG 36 HE ARG 36 -10.464 -1.000 5.455 288 1HH1 ARG 36 1HH1 ARG 36 -9.716 -3.502 7.788 289 2HH1 ARG 36 2HH1 ARG 36 -11.241 -4.310 7.607 290 1HH2 ARG 36 1HH2 ARG 36 -12.465 -2.030 5.222 291 2HH2 ARG 36 2HH2 ARG 36 -12.821 -3.469 6.137 292 H ASP 37 H ASP 37 -6.196 0.596 8.300 293 HA ASP 37 HA ASP 37 -8.079 2.050 6.800 294 1HB ASP 37 2HB ASP 37 -7.988 2.063 9.261 295 2HB ASP 37 1HB ASP 37 -6.470 2.952 9.198 296 H GLN 38 H GLN 38 -4.649 2.659 7.449 297 HA GLN 38 HA GLN 38 -4.527 5.194 6.260 298 1HB GLN 38 2HB GLN 38 -2.624 3.265 7.290 299 2HB GLN 38 1HB GLN 38 -2.003 4.101 5.871 300 1HG GLN 38 2HG GLN 38 -2.989 5.335 8.427 301 2HG GLN 38 1HG GLN 38 -1.335 5.304 7.816 302 1HE2 GLN 38 1HE2 GLN 38 -4.448 6.781 7.574 303 2HE2 GLN 38 2HE2 GLN 38 -3.993 8.080 6.529 304 H LEU 39 H LEU 39 -3.979 1.976 4.832 305 HA LEU 39 HA LEU 39 -3.213 2.948 2.294 306 1HB LEU 39 2HB LEU 39 -2.792 0.659 2.816 307 2HB LEU 39 1HB LEU 39 -4.488 0.349 3.118 308 HG LEU 39 HG LEU 39 -5.006 0.516 0.762 309 1HD1 LEU 39 1HD1 LEU 39 -3.460 2.264 0.088 310 2HD1 LEU 39 2HD1 LEU 39 -3.283 0.838 -0.942 311 3HD1 LEU 39 3HD1 LEU 39 -2.096 1.170 0.326 312 1HD2 LEU 39 1HD2 LEU 39 -3.633 -1.334 -0.117 313 2HD2 LEU 39 2HD2 LEU 39 -4.281 -1.643 1.498 314 3HD2 LEU 39 3HD2 LEU 39 -2.588 -1.186 1.298 315 H VAL 40 H VAL 40 -6.381 2.188 3.673 316 HA VAL 40 HA VAL 40 -7.969 2.657 1.425 317 HB VAL 40 HB VAL 40 -8.561 3.218 4.341 318 1HG1 VAL 40 1HG1 VAL 40 -10.913 3.299 3.726 319 2HG1 VAL 40 2HG1 VAL 40 -10.491 3.122 2.022 320 3HG1 VAL 40 3HG1 VAL 40 -10.013 4.573 2.904 321 1HG2 VAL 40 1HG2 VAL 40 -9.374 0.952 2.534 322 2HG2 VAL 40 2HG2 VAL 40 -9.807 1.136 4.235 323 3HG2 VAL 40 3HG2 VAL 40 -8.123 0.879 3.776 324 H GLY 41 H GLY 41 -6.818 4.927 3.907 325 1HA GLY 41 2HA GLY 41 -7.932 7.248 2.777 326 2HA GLY 41 1HA GLY 41 -6.544 7.202 3.854 327 H LYS 42 H LYS 42 -4.745 5.758 2.332 328 HA LYS 42 HA LYS 42 -3.687 7.783 0.706 329 1HB LYS 42 2HB LYS 42 -2.964 4.961 1.281 330 2HB LYS 42 1HB LYS 42 -2.212 5.726 -0.111 331 1HG LYS 42 2HG LYS 42 -1.986 6.446 2.790 332 2HG LYS 42 1HG LYS 42 -0.701 6.101 1.621 333 1HD LYS 42 2HD LYS 42 -1.336 8.174 0.409 334 2HD LYS 42 1HD LYS 42 -2.475 8.536 1.705 335 1HE LYS 42 2HE LYS 42 -0.698 8.679 3.303 336 2HE LYS 42 1HE LYS 42 0.477 8.155 2.094 337 1HZ LYS 42 1HZ LYS 42 0.125 10.131 0.851 338 2HZ LYS 42 2HZ LYS 42 0.431 10.588 2.456 339 3HZ LYS 42 3HZ LYS 42 -1.153 10.621 1.855 340 H ILE 43 H ILE 43 -5.392 4.812 -0.181 341 HA ILE 43 HA ILE 43 -5.189 5.104 -2.964 342 HB ILE 43 HB ILE 43 -7.464 3.949 -1.339 343 1HG1 ILE 43 2HG1 ILE 43 -5.231 2.530 -2.784 344 2HG1 ILE 43 1HG1 ILE 43 -5.177 2.919 -1.069 345 1HG2 ILE 43 1HG2 ILE 43 -8.255 4.441 -3.565 346 2HG2 ILE 43 2HG2 ILE 43 -8.023 2.699 -3.392 347 3HG2 ILE 43 3HG2 ILE 43 -6.838 3.665 -4.273 348 1HD1 ILE 43 1HD1 ILE 43 -7.167 1.556 -0.705 349 2HD1 ILE 43 2HD1 ILE 43 -5.858 0.624 -1.432 350 3HD1 ILE 43 3HD1 ILE 43 -7.212 1.166 -2.424 351 H GLN 44 H GLN 44 -7.454 6.488 -0.640 352 HA GLN 44 HA GLN 44 -9.079 7.795 -2.599 353 1HB GLN 44 2HB GLN 44 -8.844 8.325 0.368 354 2HB GLN 44 1HB GLN 44 -10.116 8.928 -0.685 355 1HG GLN 44 2HG GLN 44 -10.757 6.553 -1.138 356 2HG GLN 44 1HG GLN 44 -9.585 6.068 0.082 357 1HE2 GLN 44 1HE2 GLN 44 -10.032 6.393 2.229 358 2HE2 GLN 44 2HE2 GLN 44 -11.576 6.905 2.810 359 H GLU 45 H GLU 45 -6.043 8.514 -1.212 360 HA GLU 45 HA GLU 45 -6.311 11.390 -1.659 361 1HB GLU 45 2HB GLU 45 -4.031 9.746 -0.562 362 2HB GLU 45 1HB GLU 45 -3.909 11.467 -0.880 363 1HG GLU 45 2HG GLU 45 -5.922 11.694 0.689 364 2HG GLU 45 1HG GLU 45 -5.531 10.047 1.191 365 H ARG 46 H ARG 46 -4.216 8.730 -2.731 366 HA ARG 46 HA ARG 46 -2.784 10.392 -4.549 367 1HB ARG 46 2HB ARG 46 -2.377 7.908 -3.392 368 2HB ARG 46 1HB ARG 46 -2.600 7.543 -5.100 369 1HG ARG 46 2HG ARG 46 -0.271 7.872 -4.680 370 2HG ARG 46 1HG ARG 46 -0.871 9.232 -5.635 371 1HD ARG 46 2HD ARG 46 -1.217 10.346 -3.305 372 2HD ARG 46 1HD ARG 46 -0.056 9.140 -2.762 373 HE ARG 46 HE ARG 46 0.889 10.504 -5.068 374 1HH1 ARG 46 1HH1 ARG 46 0.574 10.753 -1.594 375 2HH1 ARG 46 2HH1 ARG 46 1.800 11.973 -1.440 376 1HH2 ARG 46 1HH2 ARG 46 2.519 12.092 -4.875 377 2HH2 ARG 46 2HH2 ARG 46 2.910 12.734 -3.303 378 H TYR 47 H TYR 47 -5.249 7.860 -4.978 379 HA TYR 47 HA TYR 47 -5.446 8.500 -7.812 380 1HB TYR 47 2HB TYR 47 -7.024 6.608 -6.062 381 2HB TYR 47 1HB TYR 47 -7.292 6.815 -7.787 382 HD1 TYR 47 1HD TYR 47 -5.182 5.323 -5.228 383 HD2 TYR 47 2HD TYR 47 -5.638 6.023 -9.399 384 HE1 TYR 47 1HE TYR 47 -3.553 3.563 -5.695 385 HE2 TYR 47 2HE TYR 47 -4.004 4.258 -9.876 386 HH TYR 47 HH TYR 47 -3.105 1.980 -7.749 387 H GLY 48 H GLY 48 -7.337 8.744 -4.872 388 1HA GLY 48 2HA GLY 48 -8.873 10.499 -4.395 389 2HA GLY 48 1HA GLY 48 -8.997 10.818 -6.123 390 H TYR 49 H TYR 49 -9.144 7.604 -4.784 391 HA TYR 49 HA TYR 49 -11.672 7.102 -6.021 392 1HB TYR 49 2HB TYR 49 -9.849 5.475 -4.276 393 2HB TYR 49 1HB TYR 49 -11.454 4.894 -4.692 394 HD1 TYR 49 1HD TYR 49 -8.162 4.564 -5.497 395 HD2 TYR 49 2HD TYR 49 -11.904 5.245 -7.395 396 HE1 TYR 49 1HE TYR 49 -7.277 3.597 -7.580 397 HE2 TYR 49 2HE TYR 49 -11.029 4.290 -9.486 398 HH TYR 49 HH TYR 49 -8.027 2.594 -9.607 399 H GLN 50 H GLN 50 -13.415 5.980 -4.761 400 HA GLN 50 HA GLN 50 -14.120 7.543 -2.420 401 1HB GLN 50 2HB GLN 50 -15.673 5.374 -3.851 402 2HB GLN 50 1HB GLN 50 -16.303 6.461 -2.621 403 1HG GLN 50 2HG GLN 50 -15.326 7.249 -5.357 404 2HG GLN 50 1HG GLN 50 -17.009 7.140 -4.840 405 1HE2 GLN 50 1HE2 GLN 50 -17.822 8.685 -3.417 406 2HE2 GLN 50 2HE2 GLN 50 -17.035 10.207 -3.166 407 H LYS 51 H LYS 51 -15.055 6.340 -0.521 408 HA LYS 51 HA LYS 51 -13.157 4.635 0.614 409 1HB LYS 51 2HB LYS 51 -14.705 5.951 1.947 410 2HB LYS 51 1HB LYS 51 -16.069 5.044 1.307 411 1HG LYS 51 2HG LYS 51 -15.042 2.995 2.352 412 2HG LYS 51 1HG LYS 51 -13.921 4.085 3.170 413 1HD LYS 51 2HD LYS 51 -15.693 5.187 4.303 414 2HD LYS 51 1HD LYS 51 -16.912 4.369 3.326 415 1HE LYS 51 2HE LYS 51 -15.045 3.054 5.285 416 2HE LYS 51 1HE LYS 51 -16.751 3.400 5.565 417 1HZ LYS 51 1HZ LYS 51 -16.937 1.272 4.858 418 2HZ LYS 51 2HZ LYS 51 -15.505 1.320 3.954 419 3HZ LYS 51 3HZ LYS 51 -16.927 2.000 3.324 420 H ASP 52 H ASP 52 -16.192 3.935 -1.027 421 HA ASP 52 HA ASP 52 -16.425 1.203 -0.569 422 1HB ASP 52 2HB ASP 52 -18.160 2.558 -1.647 423 2HB ASP 52 1HB ASP 52 -17.134 2.783 -3.053 424 H GLN 53 H GLN 53 -14.859 2.864 -3.261 425 HA GLN 53 HA GLN 53 -13.957 0.492 -4.526 426 1HB GLN 53 2HB GLN 53 -14.363 2.600 -5.733 427 2HB GLN 53 1HB GLN 53 -13.037 3.351 -4.862 428 1HG GLN 53 2HG GLN 53 -12.188 2.791 -6.979 429 2HG GLN 53 1HG GLN 53 -11.544 1.581 -5.871 430 1HE2 GLN 53 1HE2 GLN 53 -11.898 1.441 -8.744 431 2HE2 GLN 53 2HE2 GLN 53 -12.927 0.083 -9.050 432 H ALA 54 H ALA 54 -12.520 2.793 -2.285 433 HA ALA 54 HA ALA 54 -9.845 1.966 -2.580 434 1HB ALA 54 1HB ALA 54 -9.427 3.153 -0.497 435 2HB ALA 54 2HB ALA 54 -11.160 3.230 -0.179 436 3HB ALA 54 3HB ALA 54 -10.479 4.097 -1.554 437 H GLU 55 H GLU 55 -12.325 1.023 -0.162 438 HA GLU 55 HA GLU 55 -10.524 -0.785 1.123 439 1HB GLU 55 2HB GLU 55 -13.528 -0.606 1.319 440 2HB GLU 55 1HB GLU 55 -12.489 -1.544 2.385 441 1HG GLU 55 2HG GLU 55 -11.296 0.773 2.710 442 2HG GLU 55 1HG GLU 55 -12.865 1.394 2.205 443 H LYS 56 H LYS 56 -12.736 -1.033 -1.529 444 HA LYS 56 HA LYS 56 -13.013 -3.812 -1.698 445 1HB LYS 56 2HB LYS 56 -14.303 -2.312 -3.103 446 2HB LYS 56 1HB LYS 56 -12.840 -1.703 -3.860 447 1HG LYS 56 2HG LYS 56 -12.441 -3.971 -4.784 448 2HG LYS 56 1HG LYS 56 -14.007 -4.460 -4.132 449 1HD LYS 56 2HD LYS 56 -15.133 -2.821 -5.494 450 2HD LYS 56 1HD LYS 56 -13.590 -2.185 -6.065 451 1HE LYS 56 2HE LYS 56 -14.644 -4.965 -6.557 452 2HE LYS 56 1HE LYS 56 -14.646 -3.644 -7.723 453 1HZ LYS 56 1HZ LYS 56 -12.790 -5.053 -8.162 454 2HZ LYS 56 2HZ LYS 56 -12.265 -4.983 -6.553 455 3HZ LYS 56 3HZ LYS 56 -12.191 -3.597 -7.531 456 H GLU 57 H GLU 57 -10.543 -1.634 -3.017 457 HA GLU 57 HA GLU 57 -8.953 -3.735 -4.110 458 1HB GLU 57 2HB GLU 57 -8.172 -0.891 -3.453 459 2HB GLU 57 1HB GLU 57 -7.282 -1.995 -4.491 460 1HG GLU 57 2HG GLU 57 -9.250 -2.066 -6.005 461 2HG GLU 57 1HG GLU 57 -10.012 -0.837 -4.998 462 H VAL 58 H VAL 58 -8.956 -1.929 -1.077 463 HA VAL 58 HA VAL 58 -6.493 -2.810 -0.079 464 HB VAL 58 HB VAL 58 -9.001 -2.003 1.398 465 1HG1 VAL 58 1HG1 VAL 58 -7.626 -1.820 3.414 466 2HG1 VAL 58 2HG1 VAL 58 -6.249 -2.496 2.544 467 3HG1 VAL 58 3HG1 VAL 58 -7.682 -3.484 2.831 468 1HG2 VAL 58 1HG2 VAL 58 -7.944 -0.233 0.105 469 2HG2 VAL 58 2HG2 VAL 58 -6.400 -0.560 0.893 470 3HG2 VAL 58 3HG2 VAL 58 -7.758 0.057 1.834 471 H VAL 59 H VAL 59 -9.760 -4.164 0.451 472 HA VAL 59 HA VAL 59 -8.959 -6.278 2.117 473 HB VAL 59 HB VAL 59 -11.358 -6.098 0.283 474 1HG1 VAL 59 1HG1 VAL 59 -10.798 -8.041 2.526 475 2HG1 VAL 59 2HG1 VAL 59 -10.921 -8.427 0.810 476 3HG1 VAL 59 3HG1 VAL 59 -12.342 -7.868 1.691 477 1HG2 VAL 59 1HG2 VAL 59 -12.569 -5.505 2.332 478 2HG2 VAL 59 2HG2 VAL 59 -11.284 -4.351 1.977 479 3HG2 VAL 59 3HG2 VAL 59 -11.055 -5.562 3.238 480 H ASP 60 H ASP 60 -9.360 -6.117 -1.397 481 HA ASP 60 HA ASP 60 -8.854 -8.809 -1.986 482 1HB ASP 60 2HB ASP 60 -9.723 -7.282 -3.666 483 2HB ASP 60 1HB ASP 60 -8.250 -6.321 -3.606 484 H TRP 61 H TRP 61 -6.565 -6.069 -2.051 485 HA TRP 61 HA TRP 61 -4.280 -7.644 -2.533 486 1HB TRP 61 2HB TRP 61 -4.348 -5.209 -2.923 487 2HB TRP 61 1HB TRP 61 -4.451 -4.938 -1.185 488 HD1 TRP 61 HD TRP 61 -1.998 -6.132 -3.879 489 HE1 TRP 61 1HE TRP 61 0.397 -5.933 -2.968 490 HE3 TRP 61 3HE TRP 61 -3.089 -4.839 0.942 491 HZ2 TRP 61 2HZ TRP 61 1.658 -5.305 -0.510 492 HZ3 TRP 61 3HZ TRP 61 -1.233 -4.458 2.511 493 HH2 TRP 61 HH TRP 61 1.090 -4.686 1.799 494 H GLU 62 H GLU 62 -5.857 -6.607 0.426 495 HA GLU 62 HA GLU 62 -3.941 -7.271 2.316 496 1HB GLU 62 2HB GLU 62 -6.005 -6.141 2.922 497 2HB GLU 62 1HB GLU 62 -6.947 -7.556 2.474 498 1HG GLU 62 2HG GLU 62 -6.827 -7.612 4.804 499 2HG GLU 62 1HG GLU 62 -5.657 -8.808 4.255 500 H THR 63 H THR 63 -6.608 -9.327 1.158 501 HA THR 63 HA THR 63 -5.836 -11.595 2.604 502 HB THR 63 HB THR 63 -7.492 -11.375 0.092 503 HG1 THR 63 1HG THR 63 -7.936 -10.946 2.805 504 1HG2 THR 63 1HG2 THR 63 -7.295 -13.635 2.091 505 2HG2 THR 63 2HG2 THR 63 -6.738 -13.683 0.417 506 3HG2 THR 63 3HG2 THR 63 -8.459 -13.537 0.774 507 H ARG 64 H ARG 64 -4.731 -10.384 -0.492 508 HA ARG 64 HA ARG 64 -3.486 -12.755 -1.404 509 1HB ARG 64 2HB ARG 64 -2.636 -9.899 -1.899 510 2HB ARG 64 1HB ARG 64 -2.113 -11.301 -2.821 511 1HG ARG 64 2HG ARG 64 -4.475 -11.665 -3.489 512 2HG ARG 64 1HG ARG 64 -4.888 -10.150 -2.678 513 1HD ARG 64 2HD ARG 64 -3.195 -9.015 -4.128 514 2HD ARG 64 1HD ARG 64 -3.020 -10.529 -5.013 515 HE ARG 64 HE ARG 64 -5.619 -9.141 -4.822 516 1HH1 ARG 64 1HH1 ARG 64 -3.096 -10.690 -6.705 517 2HH1 ARG 64 2HH1 ARG 64 -3.911 -10.447 -8.221 518 1HH2 ARG 64 1HH2 ARG 64 -6.694 -8.846 -6.777 519 2HH2 ARG 64 2HH2 ARG 64 -5.970 -9.393 -8.267 520 H ASN 65 H ASN 65 -2.406 -10.207 0.781 521 HA ASN 65 HA ASN 65 0.216 -11.522 1.023 522 1HB ASN 65 2HB ASN 65 -0.656 -8.726 1.766 523 2HB ASN 65 1HB ASN 65 0.947 -9.386 2.079 524 1HD2 ASN 65 1HD2 ASN 65 -1.298 -8.355 -0.377 525 2HD2 ASN 65 2HD2 ASN 65 -0.131 -8.196 -1.644 526 H GLU 66 H GLU 66 -1.811 -9.605 3.200 527 HA GLU 66 HA GLU 66 -2.822 -10.069 5.176 528 1HB GLU 66 2HB GLU 66 -1.769 -12.866 4.796 529 2HB GLU 66 1HB GLU 66 -2.729 -12.362 6.178 530 1HG GLU 66 2HG GLU 66 -4.455 -11.612 4.419 531 2HG GLU 66 1HG GLU 66 -3.542 -12.648 3.320 532 H TYR 67 H TYR 67 0.403 -10.053 4.612 533 HA TYR 67 HA TYR 67 1.226 -10.363 7.365 534 1HB TYR 67 2HB TYR 67 2.673 -10.874 5.325 535 2HB TYR 67 1HB TYR 67 2.819 -9.134 5.112 536 HD1 TYR 67 1HD TYR 67 4.309 -7.850 6.471 537 HD2 TYR 67 2HD TYR 67 3.629 -11.958 7.343 538 HE1 TYR 67 1HE TYR 67 6.223 -7.833 8.010 539 HE2 TYR 67 2HE TYR 67 5.541 -11.952 8.886 540 HH TYR 67 HH TYR 67 7.098 -9.058 9.898 541 H ARG 68 H ARG 68 -0.441 -8.851 8.056 542 HA ARG 68 HA ARG 68 0.166 -6.024 7.502 543 1HB ARG 68 2HB ARG 68 -2.166 -7.243 7.074 544 2HB ARG 68 1HB ARG 68 -2.392 -6.873 8.777 545 1HG ARG 68 2HG ARG 68 -3.369 -5.097 7.590 546 2HG ARG 68 1HG ARG 68 -1.833 -4.479 8.198 547 1HD ARG 68 2HD ARG 68 -0.796 -4.820 6.052 548 2HD ARG 68 1HD ARG 68 -2.255 -5.590 5.430 549 HE ARG 68 HE ARG 68 -2.132 -2.753 6.218 550 1HH1 ARG 68 1HH1 ARG 68 -3.296 -5.329 4.160 551 2HH1 ARG 68 2HH1 ARG 68 -4.081 -4.252 3.044 552 1HH2 ARG 68 1HH2 ARG 68 -3.185 -1.324 4.764 553 2HH2 ARG 68 2HH2 ARG 68 -4.021 -1.973 3.392 554 H TRP 69 H TRP 69 0.023 -8.453 9.921 555 HA TRP 69 HA TRP 69 0.314 -6.420 12.013 556 1HB TRP 69 2HB TRP 69 -0.446 -8.311 13.576 557 2HB TRP 69 1HB TRP 69 -1.661 -7.548 12.561 558 HD1 TRP 69 HD TRP 69 0.086 -10.877 13.146 559 HE1 TRP 69 1HE TRP 69 -1.119 -12.704 11.781 560 HE3 TRP 69 3HE TRP 69 -3.017 -7.905 10.375 561 HZ2 TRP 69 2HZ TRP 69 -3.119 -12.850 9.797 562 HZ3 TRP 69 3HZ TRP 69 -4.544 -8.966 8.767 563 HH2 TRP 69 HH TRP 69 -4.594 -11.390 8.485 Start of MODEL 2 1 1H MET 1 1HT MET 1 -5.235 -5.054 18.578 2 2H MET 1 2HT MET 1 -4.691 -4.946 20.180 3 3H MET 1 3HT MET 1 -5.803 -6.149 19.742 4 HA MET 1 HA MET 1 -3.623 -7.105 19.983 5 1HB MET 1 2HB MET 1 -5.084 -8.055 18.269 6 2HB MET 1 1HB MET 1 -4.534 -6.859 17.106 7 1HG MET 1 2HG MET 1 -3.297 -8.657 16.468 8 2HG MET 1 1HG MET 1 -2.183 -7.900 17.601 9 1HE MET 1 1HE MET 1 -3.237 -8.660 20.458 10 2HE MET 1 2HE MET 1 -1.558 -8.896 19.974 11 3HE MET 1 3HE MET 1 -2.449 -10.212 20.742 12 H ASN 2 H ASN 2 -1.439 -6.815 19.896 13 HA ASN 2 HA ASN 2 -0.301 -4.405 19.020 14 1HB ASN 2 2HB ASN 2 1.014 -7.088 19.511 15 2HB ASN 2 1HB ASN 2 1.896 -5.595 19.213 16 1HD2 ASN 2 1HD2 ASN 2 1.829 -3.943 20.759 17 2HD2 ASN 2 2HD2 ASN 2 1.390 -4.259 22.405 18 H LYS 3 H LYS 3 0.577 -3.769 17.144 19 HA LYS 3 HA LYS 3 -0.206 -5.253 14.799 20 1HB LYS 3 2HB LYS 3 -0.409 -2.745 15.085 21 2HB LYS 3 1HB LYS 3 1.339 -2.656 14.942 22 1HG LYS 3 2HG LYS 3 -0.153 -4.048 12.793 23 2HG LYS 3 1HG LYS 3 -0.266 -2.292 12.881 24 1HD LYS 3 2HD LYS 3 2.030 -2.014 12.538 25 2HD LYS 3 1HD LYS 3 2.382 -3.695 12.943 26 1HE LYS 3 2HE LYS 3 0.749 -2.877 10.552 27 2HE LYS 3 1HE LYS 3 2.497 -3.116 10.492 28 1HZ LYS 3 1HZ LYS 3 0.569 -5.193 11.393 29 2HZ LYS 3 2HZ LYS 3 2.229 -5.388 11.114 30 3HZ LYS 3 3HZ LYS 3 1.187 -5.088 9.818 31 H ASP 4 H ASP 4 1.064 -6.453 13.509 32 HA ASP 4 HA ASP 4 3.566 -7.358 14.447 33 1HB ASP 4 2HB ASP 4 2.084 -8.703 12.991 34 2HB ASP 4 1HB ASP 4 2.422 -7.609 11.654 35 H GLU 5 H GLU 5 5.506 -6.504 14.294 36 HA GLU 5 HA GLU 5 5.761 -3.864 13.319 37 1HB GLU 5 2HB GLU 5 6.928 -4.718 15.313 38 2HB GLU 5 1HB GLU 5 7.902 -5.761 14.286 39 1HG GLU 5 2HG GLU 5 8.993 -3.907 13.290 40 2HG GLU 5 1HG GLU 5 7.864 -2.770 14.029 41 H ALA 6 H ALA 6 6.862 -3.020 11.619 42 HA ALA 6 HA ALA 6 7.149 -4.720 9.318 43 1HB ALA 6 1HB ALA 6 7.693 -1.768 9.635 44 2HB ALA 6 2HB ALA 6 6.164 -2.486 9.122 45 3HB ALA 6 3HB ALA 6 7.600 -2.648 8.108 46 H GLY 7 H GLY 7 8.944 -5.660 8.639 47 1HA GLY 7 2HA GLY 7 11.543 -4.481 9.356 48 2HA GLY 7 1HA GLY 7 11.240 -6.175 9.725 49 H GLY 8 H GLY 8 10.208 -7.338 7.698 50 1HA GLY 8 2HA GLY 8 12.182 -6.951 5.563 51 2HA GLY 8 1HA GLY 8 11.195 -8.385 5.817 52 H ASN 9 H ASN 9 8.840 -6.540 6.223 53 HA ASN 9 HA ASN 9 7.991 -6.507 3.474 54 1HB ASN 9 2HB ASN 9 5.833 -5.739 4.363 55 2HB ASN 9 1HB ASN 9 6.416 -7.144 5.248 56 1HD2 ASN 9 1HD2 ASN 9 4.556 -4.911 5.974 57 2HD2 ASN 9 2HD2 ASN 9 5.182 -4.291 7.460 58 H TRP 10 H TRP 10 9.664 -4.346 5.415 59 HA TRP 10 HA TRP 10 8.446 -1.891 4.831 60 1HB TRP 10 2HB TRP 10 10.178 -2.311 6.600 61 2HB TRP 10 1HB TRP 10 11.394 -2.358 5.327 62 HD1 TRP 10 HD TRP 10 12.303 -0.071 4.449 63 HE1 TRP 10 1HE TRP 10 11.882 2.388 5.093 64 HE3 TRP 10 3HE TRP 10 8.223 -0.721 7.450 65 HZ2 TRP 10 2HZ TRP 10 10.055 3.848 6.670 66 HZ3 TRP 10 3HZ TRP 10 7.199 1.258 8.492 67 HH2 TRP 10 HH TRP 10 8.097 3.494 8.108 68 H LYS 11 H LYS 11 11.278 -3.411 3.275 69 HA LYS 11 HA LYS 11 11.182 -1.554 1.061 70 1HB LYS 11 2HB LYS 11 13.335 -2.367 1.778 71 2HB LYS 11 1HB LYS 11 12.814 -4.036 1.626 72 1HG LYS 11 2HG LYS 11 12.502 -3.485 -0.869 73 2HG LYS 11 1HG LYS 11 13.509 -2.077 -0.523 74 1HD LYS 11 2HD LYS 11 15.282 -3.507 0.300 75 2HD LYS 11 1HD LYS 11 14.269 -4.933 0.086 76 1HE LYS 11 2HE LYS 11 14.165 -4.296 -2.373 77 2HE LYS 11 1HE LYS 11 15.470 -3.162 -2.024 78 1HZ LYS 11 1HZ LYS 11 16.351 -5.246 -2.831 79 2HZ LYS 11 2HZ LYS 11 15.545 -6.103 -1.612 80 3HZ LYS 11 3HZ LYS 11 16.797 -5.034 -1.207 81 H GLN 12 H GLN 12 10.254 -4.854 1.752 82 HA GLN 12 HA GLN 12 9.880 -5.771 -0.864 83 1HB GLN 12 2HB GLN 12 10.090 -7.218 1.112 84 2HB GLN 12 1HB GLN 12 8.523 -6.670 1.679 85 1HG GLN 12 2HG GLN 12 7.464 -7.665 -0.283 86 2HG GLN 12 1HG GLN 12 9.040 -8.219 -0.850 87 1HE2 GLN 12 1HE2 GLN 12 8.443 -10.381 -0.784 88 2HE2 GLN 12 2HE2 GLN 12 8.246 -11.234 0.716 89 H PHE 13 H PHE 13 7.530 -4.375 1.433 90 HA PHE 13 HA PHE 13 5.404 -4.800 -0.473 91 1HB PHE 13 2HB PHE 13 5.497 -3.884 2.361 92 2HB PHE 13 1HB PHE 13 4.071 -3.513 1.384 93 HD1 PHE 13 1HD PHE 13 2.453 -4.989 2.298 94 HD2 PHE 13 2HD PHE 13 6.274 -6.404 1.113 95 HE1 PHE 13 1HE PHE 13 1.679 -7.292 2.526 96 HE2 PHE 13 2HE PHE 13 5.522 -8.688 1.330 97 HZ PHE 13 HZ PHE 13 3.204 -9.172 2.048 98 H LYS 14 H LYS 14 7.530 -2.273 0.279 99 HA LYS 14 HA LYS 14 5.881 -0.187 -0.724 100 1HB LYS 14 2HB LYS 14 8.842 -0.424 -0.383 101 2HB LYS 14 1HB LYS 14 8.186 0.917 -1.303 102 1HG LYS 14 2HG LYS 14 6.701 1.356 0.716 103 2HG LYS 14 1HG LYS 14 7.741 0.231 1.585 104 1HD LYS 14 2HD LYS 14 8.751 2.687 0.155 105 2HD LYS 14 1HD LYS 14 8.324 2.655 1.864 106 1HE LYS 14 2HE LYS 14 9.996 0.805 2.144 107 2HE LYS 14 1HE LYS 14 10.504 1.103 0.482 108 1HZ LYS 14 1HZ LYS 14 11.931 2.279 2.022 109 2HZ LYS 14 2HZ LYS 14 10.595 3.065 2.716 110 3HZ LYS 14 3HZ LYS 14 11.030 3.398 1.115 111 H GLY 15 H GLY 15 8.139 -2.412 -2.268 112 1HA GLY 15 2HA GLY 15 7.507 -1.488 -4.918 113 2HA GLY 15 1HA GLY 15 8.386 -2.956 -4.505 114 H LYS 16 H LYS 16 6.364 -4.045 -2.778 115 HA LYS 16 HA LYS 16 4.885 -5.482 -4.702 116 1HB LYS 16 2HB LYS 16 5.585 -6.039 -2.195 117 2HB LYS 16 1HB LYS 16 3.960 -5.443 -1.869 118 1HG LYS 16 2HG LYS 16 3.895 -7.832 -2.127 119 2HG LYS 16 1HG LYS 16 3.078 -7.082 -3.502 120 1HD LYS 16 2HD LYS 16 5.339 -7.232 -4.688 121 2HD LYS 16 1HD LYS 16 5.800 -8.340 -3.398 122 1HE LYS 16 2HE LYS 16 4.084 -9.880 -4.007 123 2HE LYS 16 1HE LYS 16 3.371 -8.725 -5.136 124 1HZ LYS 16 1HZ LYS 16 4.658 -10.313 -6.357 125 2HZ LYS 16 2HZ LYS 16 6.019 -10.050 -5.386 126 3HZ LYS 16 3HZ LYS 16 5.463 -8.821 -6.418 127 H VAL 17 H VAL 17 3.856 -3.034 -2.324 128 HA VAL 17 HA VAL 17 1.187 -2.893 -3.210 129 HB VAL 17 HB VAL 17 2.817 -0.723 -1.871 130 1HG1 VAL 17 1HG1 VAL 17 0.867 0.216 -2.960 131 2HG1 VAL 17 2HG1 VAL 17 0.641 0.212 -1.211 132 3HG1 VAL 17 3HG1 VAL 17 -0.167 -0.999 -2.208 133 1HG2 VAL 17 1HG2 VAL 17 2.699 -2.734 -0.526 134 2HG2 VAL 17 2HG2 VAL 17 0.947 -2.789 -0.723 135 3HG2 VAL 17 3HG2 VAL 17 1.691 -1.468 0.178 136 H LYS 18 H LYS 18 4.148 -1.332 -4.373 137 HA LYS 18 HA LYS 18 2.816 0.398 -6.179 138 1HB LYS 18 2HB LYS 18 5.600 -0.616 -5.937 139 2HB LYS 18 1HB LYS 18 5.111 0.089 -7.474 140 1HG LYS 18 2HG LYS 18 4.374 2.119 -6.239 141 2HG LYS 18 1HG LYS 18 5.058 1.412 -4.773 142 1HD LYS 18 2HD LYS 18 7.260 1.394 -5.749 143 2HD LYS 18 1HD LYS 18 6.616 1.930 -7.302 144 1HE LYS 18 2HE LYS 18 6.495 3.518 -4.742 145 2HE LYS 18 1HE LYS 18 7.696 3.742 -6.012 146 1HZ LYS 18 1HZ LYS 18 5.997 5.354 -6.311 147 2HZ LYS 18 2HZ LYS 18 4.768 4.193 -6.215 148 3HZ LYS 18 3HZ LYS 18 5.812 4.208 -7.547 149 H GLU 19 H GLU 19 3.443 -3.020 -6.321 150 HA GLU 19 HA GLU 19 2.978 -3.268 -9.139 151 1HB GLU 19 2HB GLU 19 2.765 -5.301 -6.911 152 2HB GLU 19 1HB GLU 19 2.571 -5.687 -8.614 153 1HG GLU 19 2HG GLU 19 4.869 -4.913 -9.027 154 2HG GLU 19 1HG GLU 19 5.056 -4.610 -7.299 155 H GLN 20 H GLN 20 0.978 -3.522 -6.249 156 HA GLN 20 HA GLN 20 -1.385 -4.203 -7.734 157 1HB GLN 20 2HB GLN 20 -1.629 -5.159 -5.717 158 2HB GLN 20 1HB GLN 20 -0.577 -4.002 -4.928 159 1HG GLN 20 2HG GLN 20 -2.777 -3.943 -3.976 160 2HG GLN 20 1HG GLN 20 -2.407 -2.423 -4.773 161 1HE2 GLN 20 1HE2 GLN 20 -4.536 -1.908 -4.824 162 2HE2 GLN 20 2HE2 GLN 20 -5.657 -2.612 -5.916 163 H TRP 21 H TRP 21 -0.394 -1.320 -5.864 164 HA TRP 21 HA TRP 21 -2.364 0.221 -7.399 165 1HB TRP 21 2HB TRP 21 -1.018 0.723 -4.753 166 2HB TRP 21 1HB TRP 21 -1.700 2.060 -5.661 167 HD1 TRP 21 HD TRP 21 -4.417 1.830 -6.223 168 HE1 TRP 21 1HE TRP 21 -6.286 0.825 -4.769 169 HE3 TRP 21 3HE TRP 21 -1.547 -0.953 -3.049 170 HZ2 TRP 21 2HZ TRP 21 -6.505 -0.920 -2.561 171 HZ3 TRP 21 3HZ TRP 21 -2.663 -2.267 -1.300 172 HH2 TRP 21 HH TRP 21 -5.090 -2.250 -1.061 173 H GLY 22 H GLY 22 0.790 1.158 -6.027 174 1HA GLY 22 2HA GLY 22 2.752 1.557 -7.310 175 2HA GLY 22 1HA GLY 22 1.755 1.641 -8.755 176 H LYS 23 H LYS 23 -0.184 3.419 -7.569 177 HA LYS 23 HA LYS 23 1.021 5.900 -8.218 178 1HB LYS 23 2HB LYS 23 -1.573 4.871 -7.860 179 2HB LYS 23 1HB LYS 23 -1.417 6.200 -6.721 180 1HG LYS 23 2HG LYS 23 -0.604 6.567 -9.563 181 2HG LYS 23 1HG LYS 23 -2.305 6.633 -9.108 182 1HD LYS 23 2HD LYS 23 -1.778 8.389 -7.463 183 2HD LYS 23 1HD LYS 23 -0.091 8.347 -7.981 184 1HE LYS 23 2HE LYS 23 -0.647 9.136 -10.148 185 2HE LYS 23 1HE LYS 23 -2.368 8.883 -9.872 186 1HZ LYS 23 1HZ LYS 23 -1.809 11.208 -9.718 187 2HZ LYS 23 2HZ LYS 23 -0.662 10.900 -8.511 188 3HZ LYS 23 3HZ LYS 23 -2.309 10.642 -8.203 189 H LEU 24 H LEU 24 0.926 4.077 -5.390 190 HA LEU 24 HA LEU 24 1.062 6.250 -3.529 191 1HB LEU 24 2HB LEU 24 1.620 3.309 -3.215 192 2HB LEU 24 1HB LEU 24 1.626 4.458 -1.897 193 HG LEU 24 HG LEU 24 -0.730 3.580 -3.559 194 1HD1 LEU 24 1HD1 LEU 24 -0.179 3.468 -0.599 195 2HD1 LEU 24 2HD1 LEU 24 -0.065 2.109 -1.720 196 3HD1 LEU 24 3HD1 LEU 24 -1.626 2.873 -1.416 197 1HD2 LEU 24 1HD2 LEU 24 -2.081 5.155 -2.282 198 2HD2 LEU 24 2HD2 LEU 24 -0.856 6.001 -3.229 199 3HD2 LEU 24 3HD2 LEU 24 -0.631 5.777 -1.494 200 H THR 25 H THR 25 3.070 5.915 -1.858 201 HA THR 25 HA THR 25 5.496 6.195 -3.482 202 HB THR 25 HB THR 25 5.870 8.462 -2.369 203 HG1 THR 25 1HG THR 25 3.141 7.985 -1.776 204 1HG2 THR 25 1HG2 THR 25 4.575 9.677 -4.054 205 2HG2 THR 25 2HG2 THR 25 3.601 8.239 -4.355 206 3HG2 THR 25 3HG2 THR 25 5.318 8.239 -4.755 207 H ASP 26 H ASP 26 7.204 7.303 -1.738 208 HA ASP 26 HA ASP 26 7.528 5.256 0.261 209 1HB ASP 26 2HB ASP 26 9.373 6.520 -1.054 210 2HB ASP 26 1HB ASP 26 9.137 7.802 0.130 211 H ASP 27 H ASP 27 6.540 8.596 0.123 212 HA ASP 27 HA ASP 27 6.421 9.272 2.820 213 1HB ASP 27 2HB ASP 27 5.984 11.074 1.450 214 2HB ASP 27 1HB ASP 27 4.958 10.135 0.384 215 H ASP 28 H ASP 28 3.858 7.851 0.792 216 HA ASP 28 HA ASP 28 1.983 7.862 2.924 217 1HB ASP 28 2HB ASP 28 0.481 7.034 1.419 218 2HB ASP 28 1HB ASP 28 1.654 7.686 0.303 219 H MET 29 H MET 29 4.167 5.481 1.589 220 HA MET 29 HA MET 29 2.783 3.376 2.915 221 1HB MET 29 2HB MET 29 4.043 3.366 0.653 222 2HB MET 29 1HB MET 29 5.443 3.079 1.646 223 1HG MET 29 2HG MET 29 4.610 1.045 2.436 224 2HG MET 29 1HG MET 29 2.974 1.443 1.910 225 1HE MET 29 1HE MET 29 3.698 2.688 -0.969 226 2HE MET 29 2HE MET 29 2.302 1.645 -0.693 227 3HE MET 29 3HE MET 29 3.426 1.286 -2.004 228 H THR 30 H THR 30 5.358 5.485 3.778 229 HA THR 30 HA THR 30 6.319 3.794 5.887 230 HB THR 30 HB THR 30 7.679 5.695 4.926 231 HG1 THR 30 1HG THR 30 7.259 5.171 7.638 232 1HG2 THR 30 1HG2 THR 30 5.858 7.391 6.638 233 2HG2 THR 30 2HG2 THR 30 5.934 7.414 4.877 234 3HG2 THR 30 3HG2 THR 30 7.323 7.940 5.826 235 H ILE 31 H ILE 31 3.668 5.986 5.424 236 HA ILE 31 HA ILE 31 2.992 6.088 8.241 237 HB ILE 31 HB ILE 31 0.818 6.747 6.402 238 1HG1 ILE 31 2HG1 ILE 31 3.389 8.357 6.167 239 2HG1 ILE 31 1HG1 ILE 31 2.573 7.472 4.891 240 1HG2 ILE 31 1HG2 ILE 31 0.774 7.314 8.742 241 2HG2 ILE 31 2HG2 ILE 31 0.756 8.786 7.772 242 3HG2 ILE 31 3HG2 ILE 31 2.243 8.275 8.569 243 1HD1 ILE 31 1HD1 ILE 31 2.156 9.843 4.705 244 2HD1 ILE 31 2HD1 ILE 31 1.481 9.869 6.334 245 3HD1 ILE 31 3HD1 ILE 31 0.662 8.973 5.056 246 H ILE 32 H ILE 32 1.907 4.469 5.306 247 HA ILE 32 HA ILE 32 -0.319 3.180 6.536 248 HB ILE 32 HB ILE 32 0.994 2.940 3.845 249 1HG1 ILE 32 2HG1 ILE 32 -1.128 3.649 3.019 250 2HG1 ILE 32 1HG1 ILE 32 -1.906 3.350 4.566 251 1HG2 ILE 32 1HG2 ILE 32 -1.088 1.057 4.940 252 2HG2 ILE 32 2HG2 ILE 32 0.515 0.639 4.327 253 3HG2 ILE 32 3HG2 ILE 32 -0.725 1.249 3.224 254 1HD1 ILE 32 1HD1 ILE 32 0.023 5.543 3.891 255 2HD1 ILE 32 2HD1 ILE 32 -0.560 5.199 5.520 256 3HD1 ILE 32 3HD1 ILE 32 -1.694 5.685 4.262 257 H GLU 33 H GLU 33 2.518 1.605 5.005 258 HA GLU 33 HA GLU 33 3.949 -0.006 5.744 259 1HB GLU 33 2HB GLU 33 4.320 1.394 7.653 260 2HB GLU 33 1HB GLU 33 2.812 0.883 8.395 261 1HG GLU 33 2HG GLU 33 3.913 -1.470 8.340 262 2HG GLU 33 1HG GLU 33 5.410 -0.545 8.193 263 H GLY 34 H GLY 34 1.025 -0.307 7.712 264 1HA GLY 34 2HA GLY 34 0.121 -2.687 6.491 265 2HA GLY 34 1HA GLY 34 0.956 -3.061 7.999 266 H LYS 35 H LYS 35 -1.186 -0.444 6.938 267 HA LYS 35 HA LYS 35 -2.966 -1.069 9.185 268 1HB LYS 35 2HB LYS 35 -1.843 1.597 8.392 269 2HB LYS 35 1HB LYS 35 -3.419 1.502 9.158 270 1HG LYS 35 2HG LYS 35 -2.053 1.883 10.957 271 2HG LYS 35 1HG LYS 35 -2.148 0.123 10.970 272 1HD LYS 35 2HD LYS 35 -0.002 -0.056 9.912 273 2HD LYS 35 1HD LYS 35 0.069 1.689 9.657 274 1HE LYS 35 2HE LYS 35 -0.049 1.939 12.162 275 2HE LYS 35 1HE LYS 35 0.190 0.196 12.269 276 1HZ LYS 35 1HZ LYS 35 2.258 1.491 12.496 277 2HZ LYS 35 2HZ LYS 35 2.062 2.059 10.915 278 3HZ LYS 35 3HZ LYS 35 2.312 0.406 11.195 279 H ARG 36 H ARG 36 -5.002 -1.256 8.685 280 HA ARG 36 HA ARG 36 -5.801 -1.445 5.986 281 1HB ARG 36 2HB ARG 36 -6.665 -2.661 8.090 282 2HB ARG 36 1HB ARG 36 -7.678 -1.251 8.334 283 1HG ARG 36 2HG ARG 36 -7.737 -2.751 5.749 284 2HG ARG 36 1HG ARG 36 -8.657 -3.305 7.146 285 1HD ARG 36 2HD ARG 36 -9.654 -0.975 7.236 286 2HD ARG 36 1HD ARG 36 -8.934 -0.713 5.644 287 HE ARG 36 HE ARG 36 -10.333 -3.094 5.476 288 1HH1 ARG 36 1HH1 ARG 36 -11.106 0.259 6.153 289 2HH1 ARG 36 2HH1 ARG 36 -12.724 0.143 5.524 290 1HH2 ARG 36 1HH2 ARG 36 -12.463 -3.243 4.679 291 2HH2 ARG 36 2HH2 ARG 36 -13.494 -1.848 4.721 292 H ASP 37 H ASP 37 -6.725 0.875 8.531 293 HA ASP 37 HA ASP 37 -8.489 2.386 6.934 294 1HB ASP 37 2HB ASP 37 -8.506 2.418 9.395 295 2HB ASP 37 1HB ASP 37 -6.949 3.237 9.394 296 H GLN 38 H GLN 38 -5.047 2.751 7.609 297 HA GLN 38 HA GLN 38 -4.745 5.329 6.534 298 1HB GLN 38 2HB GLN 38 -2.854 3.095 7.141 299 2HB GLN 38 1HB GLN 38 -2.281 4.494 6.245 300 1HG GLN 38 2HG GLN 38 -3.585 4.586 8.956 301 2HG GLN 38 1HG GLN 38 -1.850 4.664 8.653 302 1HE2 GLN 38 1HE2 GLN 38 -3.634 6.603 9.924 303 2HE2 GLN 38 2HE2 GLN 38 -3.464 8.068 9.025 304 H LEU 39 H LEU 39 -4.249 2.136 5.019 305 HA LEU 39 HA LEU 39 -3.382 3.174 2.547 306 1HB LEU 39 2HB LEU 39 -2.942 0.892 3.051 307 2HB LEU 39 1HB LEU 39 -4.642 0.541 3.275 308 HG LEU 39 HG LEU 39 -5.058 0.637 0.918 309 1HD1 LEU 39 1HD1 LEU 39 -3.649 2.519 0.289 310 2HD1 LEU 39 2HD1 LEU 39 -3.313 1.113 -0.729 311 3HD1 LEU 39 3HD1 LEU 39 -2.205 1.549 0.579 312 1HD2 LEU 39 1HD2 LEU 39 -2.490 -0.807 1.481 313 2HD2 LEU 39 2HD2 LEU 39 -3.518 -1.069 0.072 314 3HD2 LEU 39 3HD2 LEU 39 -4.125 -1.441 1.692 315 H VAL 40 H VAL 40 -6.639 2.315 3.712 316 HA VAL 40 HA VAL 40 -8.099 2.796 1.405 317 HB VAL 40 HB VAL 40 -8.818 3.385 4.285 318 1HG1 VAL 40 1HG1 VAL 40 -11.142 3.587 3.558 319 2HG1 VAL 40 2HG1 VAL 40 -10.633 3.458 1.876 320 3HG1 VAL 40 3HG1 VAL 40 -10.141 4.847 2.841 321 1HG2 VAL 40 1HG2 VAL 40 -10.183 1.370 4.063 322 2HG2 VAL 40 2HG2 VAL 40 -8.486 1.036 3.712 323 3HG2 VAL 40 3HG2 VAL 40 -9.647 1.192 2.391 324 H GLY 41 H GLY 41 -6.977 5.115 3.832 325 1HA GLY 41 2HA GLY 41 -8.021 7.442 2.666 326 2HA GLY 41 1HA GLY 41 -6.609 7.373 3.711 327 H LYS 42 H LYS 42 -4.872 5.872 2.195 328 HA LYS 42 HA LYS 42 -3.836 7.896 0.520 329 1HB LYS 42 2HB LYS 42 -3.014 5.060 1.040 330 2HB LYS 42 1HB LYS 42 -2.144 6.077 -0.099 331 1HG LYS 42 2HG LYS 42 -2.516 6.489 2.844 332 2HG LYS 42 1HG LYS 42 -1.011 6.209 1.969 333 1HD LYS 42 2HD LYS 42 -1.249 8.376 0.865 334 2HD LYS 42 1HD LYS 42 -2.773 8.647 1.713 335 1HE LYS 42 2HE LYS 42 -1.385 8.272 3.846 336 2HE LYS 42 1HE LYS 42 0.004 8.572 2.803 337 1HZ LYS 42 1HZ LYS 42 -2.283 10.442 2.975 338 2HZ LYS 42 2HZ LYS 42 -0.745 10.730 2.320 339 3HZ LYS 42 3HZ LYS 42 -0.934 10.558 3.993 340 H ILE 43 H ILE 43 -5.373 4.806 -0.233 341 HA ILE 43 HA ILE 43 -5.191 4.897 -3.006 342 HB ILE 43 HB ILE 43 -7.556 4.010 -1.333 343 1HG1 ILE 43 2HG1 ILE 43 -5.497 2.193 -2.518 344 2HG1 ILE 43 1HG1 ILE 43 -5.150 3.029 -1.006 345 1HG2 ILE 43 1HG2 ILE 43 -6.806 3.340 -4.173 346 2HG2 ILE 43 2HG2 ILE 43 -8.222 4.249 -3.639 347 3HG2 ILE 43 3HG2 ILE 43 -8.070 2.535 -3.243 348 1HD1 ILE 43 1HD1 ILE 43 -7.102 2.028 0.017 349 2HD1 ILE 43 2HD1 ILE 43 -6.026 0.789 -0.632 350 3HD1 ILE 43 3HD1 ILE 43 -7.502 1.221 -1.501 351 H GLN 44 H GLN 44 -7.571 6.464 -0.885 352 HA GLN 44 HA GLN 44 -9.042 7.726 -2.976 353 1HB GLN 44 2HB GLN 44 -8.847 8.517 -0.065 354 2HB GLN 44 1HB GLN 44 -10.089 9.026 -1.199 355 1HG GLN 44 2HG GLN 44 -10.835 6.682 -1.387 356 2HG GLN 44 1HG GLN 44 -9.619 6.231 -0.194 357 1HE2 GLN 44 1HE2 GLN 44 -9.903 6.791 1.935 358 2HE2 GLN 44 2HE2 GLN 44 -11.410 7.375 2.565 359 H GLU 45 H GLU 45 -6.095 8.458 -1.387 360 HA GLU 45 HA GLU 45 -6.222 11.315 -1.900 361 1HB GLU 45 2HB GLU 45 -4.171 9.517 -0.633 362 2HB GLU 45 1HB GLU 45 -3.791 11.183 -1.043 363 1HG GLU 45 2HG GLU 45 -5.566 11.966 0.417 364 2HG GLU 45 1HG GLU 45 -5.997 10.298 0.801 365 H ARG 46 H ARG 46 -4.216 8.589 -2.917 366 HA ARG 46 HA ARG 46 -2.602 10.232 -4.589 367 1HB ARG 46 2HB ARG 46 -2.536 7.564 -3.543 368 2HB ARG 46 1HB ARG 46 -2.172 7.534 -5.264 369 1HG ARG 46 2HG ARG 46 -0.125 7.780 -4.067 370 2HG ARG 46 1HG ARG 46 -0.481 9.311 -4.867 371 1HD ARG 46 2HD ARG 46 -1.601 9.907 -2.586 372 2HD ARG 46 1HD ARG 46 -0.583 8.610 -1.968 373 HE ARG 46 HE ARG 46 0.641 10.794 -3.511 374 1HH1 ARG 46 1HH1 ARG 46 0.311 9.064 -0.470 375 2HH1 ARG 46 2HH1 ARG 46 1.626 9.908 0.291 376 1HH2 ARG 46 1HH2 ARG 46 2.356 11.887 -2.502 377 2HH2 ARG 46 2HH2 ARG 46 2.785 11.500 -0.864 378 H TYR 47 H TYR 47 -5.187 7.871 -5.222 379 HA TYR 47 HA TYR 47 -5.080 8.540 -8.072 380 1HB TYR 47 2HB TYR 47 -6.849 6.671 -6.497 381 2HB TYR 47 1HB TYR 47 -7.028 6.963 -8.219 382 HD1 TYR 47 1HD TYR 47 -5.079 5.302 -5.632 383 HD2 TYR 47 2HD TYR 47 -5.390 6.111 -9.794 384 HE1 TYR 47 1HE TYR 47 -3.551 3.452 -6.099 385 HE2 TYR 47 2HE TYR 47 -3.856 4.261 -10.274 386 HH TYR 47 HH TYR 47 -3.171 1.877 -8.200 387 H GLY 48 H GLY 48 -7.115 8.852 -5.264 388 1HA GLY 48 2HA GLY 48 -8.745 10.543 -4.906 389 2HA GLY 48 1HA GLY 48 -8.768 10.850 -6.640 390 H TYR 49 H TYR 49 -8.962 7.691 -5.113 391 HA TYR 49 HA TYR 49 -11.399 7.074 -6.525 392 1HB TYR 49 2HB TYR 49 -9.740 5.516 -4.549 393 2HB TYR 49 1HB TYR 49 -11.238 4.903 -5.235 394 HD1 TYR 49 1HD TYR 49 -10.949 5.825 -8.057 395 HD2 TYR 49 2HD TYR 49 -8.133 4.091 -5.387 396 HE1 TYR 49 1HE TYR 49 -9.712 4.898 -9.975 397 HE2 TYR 49 2HE TYR 49 -6.891 3.160 -7.291 398 HH TYR 49 HH TYR 49 -7.311 2.524 -9.629 399 H GLN 50 H GLN 50 -13.102 5.836 -5.186 400 HA GLN 50 HA GLN 50 -13.961 7.561 -3.009 401 1HB GLN 50 2HB GLN 50 -15.342 5.274 -4.429 402 2HB GLN 50 1HB GLN 50 -16.071 6.243 -3.155 403 1HG GLN 50 2HG GLN 50 -15.053 7.396 -5.739 404 2HG GLN 50 1HG GLN 50 -16.718 6.869 -5.489 405 1HE2 GLN 50 1HE2 GLN 50 -14.302 9.231 -4.660 406 2HE2 GLN 50 2HE2 GLN 50 -15.381 10.368 -3.930 407 H LYS 51 H LYS 51 -14.530 6.715 -0.947 408 HA LYS 51 HA LYS 51 -12.743 4.943 0.223 409 1HB LYS 51 2HB LYS 51 -14.025 6.547 1.512 410 2HB LYS 51 1HB LYS 51 -15.529 5.756 1.066 411 1HG LYS 51 2HG LYS 51 -14.904 3.794 2.351 412 2HG LYS 51 1HG LYS 51 -13.358 4.545 2.761 413 1HD LYS 51 2HD LYS 51 -14.419 6.241 4.034 414 2HD LYS 51 1HD LYS 51 -16.013 5.802 3.415 415 1HE LYS 51 2HE LYS 51 -14.281 4.023 5.116 416 2HE LYS 51 1HE LYS 51 -15.596 5.023 5.730 417 1HZ LYS 51 1HZ LYS 51 -16.427 2.835 5.410 418 2HZ LYS 51 2HZ LYS 51 -15.797 2.741 3.840 419 3HZ LYS 51 3HZ LYS 51 -17.083 3.793 4.174 420 H ASP 52 H ASP 52 -15.832 4.403 -1.273 421 HA ASP 52 HA ASP 52 -16.390 1.790 -0.541 422 1HB ASP 52 2HB ASP 52 -17.836 3.359 -1.888 423 2HB ASP 52 1HB ASP 52 -16.837 2.979 -3.283 424 H GLN 53 H GLN 53 -14.590 2.925 -3.410 425 HA GLN 53 HA GLN 53 -13.907 0.294 -4.250 426 1HB GLN 53 2HB GLN 53 -14.006 2.191 -5.823 427 2HB GLN 53 1HB GLN 53 -12.635 2.928 -5.003 428 1HG GLN 53 2HG GLN 53 -11.252 0.992 -5.593 429 2HG GLN 53 1HG GLN 53 -12.624 0.280 -6.432 430 1HE2 GLN 53 1HE2 GLN 53 -9.976 1.030 -7.381 431 2HE2 GLN 53 2HE2 GLN 53 -10.256 2.102 -8.712 432 H ALA 54 H ALA 54 -12.332 2.769 -2.327 433 HA ALA 54 HA ALA 54 -9.743 1.739 -2.292 434 1HB ALA 54 1HB ALA 54 -9.428 3.050 -0.260 435 2HB ALA 54 2HB ALA 54 -11.175 3.256 -0.117 436 3HB ALA 54 3HB ALA 54 -10.311 3.967 -1.481 437 H GLU 55 H GLU 55 -12.460 1.115 -0.074 438 HA GLU 55 HA GLU 55 -11.006 -0.657 1.589 439 1HB GLU 55 2HB GLU 55 -13.981 -0.407 1.149 440 2HB GLU 55 1HB GLU 55 -13.231 -1.357 2.427 441 1HG GLU 55 2HG GLU 55 -12.207 0.691 3.317 442 2HG GLU 55 1HG GLU 55 -13.025 1.621 2.061 443 H LYS 56 H LYS 56 -13.052 -1.145 -1.246 444 HA LYS 56 HA LYS 56 -13.155 -3.941 -1.177 445 1HB LYS 56 2HB LYS 56 -13.292 -1.980 -3.455 446 2HB LYS 56 1HB LYS 56 -13.438 -3.713 -3.708 447 1HG LYS 56 2HG LYS 56 -15.375 -3.761 -2.207 448 2HG LYS 56 1HG LYS 56 -15.235 -2.015 -1.990 449 1HD LYS 56 2HD LYS 56 -15.742 -1.606 -4.275 450 2HD LYS 56 1HD LYS 56 -15.592 -3.317 -4.681 451 1HE LYS 56 2HE LYS 56 -17.931 -2.645 -4.569 452 2HE LYS 56 1HE LYS 56 -17.549 -3.819 -3.312 453 1HZ LYS 56 1HZ LYS 56 -18.914 -2.030 -2.456 454 2HZ LYS 56 2HZ LYS 56 -17.772 -0.875 -2.943 455 3HZ LYS 56 3HZ LYS 56 -17.384 -1.992 -1.722 456 H GLU 57 H GLU 57 -10.795 -1.761 -2.689 457 HA GLU 57 HA GLU 57 -9.200 -3.882 -3.723 458 1HB GLU 57 2HB GLU 57 -8.613 -0.961 -3.272 459 2HB GLU 57 1HB GLU 57 -7.454 -2.073 -3.988 460 1HG GLU 57 2HG GLU 57 -9.310 -2.603 -5.676 461 2HG GLU 57 1HG GLU 57 -10.075 -1.128 -5.081 462 H VAL 58 H VAL 58 -9.169 -2.036 -0.715 463 HA VAL 58 HA VAL 58 -6.690 -2.925 0.249 464 HB VAL 58 HB VAL 58 -9.182 -2.089 1.734 465 1HG1 VAL 58 1HG1 VAL 58 -7.812 -2.011 3.775 466 2HG1 VAL 58 2HG1 VAL 58 -6.482 -2.775 2.904 467 3HG1 VAL 58 3HG1 VAL 58 -7.986 -3.658 3.167 468 1HG2 VAL 58 1HG2 VAL 58 -7.838 -0.112 2.256 469 2HG2 VAL 58 2HG2 VAL 58 -8.004 -0.344 0.515 470 3HG2 VAL 58 3HG2 VAL 58 -6.497 -0.779 1.323 471 H VAL 59 H VAL 59 -9.953 -4.271 0.815 472 HA VAL 59 HA VAL 59 -9.158 -6.441 2.394 473 HB VAL 59 HB VAL 59 -11.529 -6.318 0.513 474 1HG1 VAL 59 1HG1 VAL 59 -11.044 -8.600 1.254 475 2HG1 VAL 59 2HG1 VAL 59 -12.532 -7.997 1.983 476 3HG1 VAL 59 3HG1 VAL 59 -11.048 -8.060 2.933 477 1HG2 VAL 59 1HG2 VAL 59 -12.790 -5.616 2.500 478 2HG2 VAL 59 2HG2 VAL 59 -11.530 -4.457 2.076 479 3HG2 VAL 59 3HG2 VAL 59 -11.292 -5.569 3.426 480 H ASP 60 H ASP 60 -9.377 -6.112 -1.100 481 HA ASP 60 HA ASP 60 -8.849 -8.831 -1.720 482 1HB ASP 60 2HB ASP 60 -9.870 -7.365 -3.348 483 2HB ASP 60 1HB ASP 60 -8.483 -6.286 -3.313 484 H TRP 61 H TRP 61 -6.771 -5.949 -1.636 485 HA TRP 61 HA TRP 61 -4.374 -7.239 -2.332 486 1HB TRP 61 2HB TRP 61 -4.538 -4.850 -2.515 487 2HB TRP 61 1HB TRP 61 -4.895 -4.689 -0.800 488 HD1 TRP 61 HD TRP 61 -1.975 -5.349 -3.194 489 HE1 TRP 61 1HE TRP 61 0.228 -4.926 -1.938 490 HE3 TRP 61 3HE TRP 61 -3.851 -4.658 1.510 491 HZ2 TRP 61 2HZ TRP 61 1.060 -4.378 0.707 492 HZ3 TRP 61 3HZ TRP 61 -2.287 -4.189 3.348 493 HH2 TRP 61 HH TRP 61 0.119 -4.054 2.953 494 H GLU 62 H GLU 62 -5.818 -6.552 0.839 495 HA GLU 62 HA GLU 62 -3.560 -7.302 2.340 496 1HB GLU 62 2HB GLU 62 -5.056 -7.401 4.274 497 2HB GLU 62 1HB GLU 62 -5.334 -5.949 3.324 498 1HG GLU 62 2HG GLU 62 -7.348 -6.783 2.452 499 2HG GLU 62 1HG GLU 62 -6.999 -8.421 3.003 500 H THR 63 H THR 63 -6.327 -9.182 1.161 501 HA THR 63 HA THR 63 -5.676 -11.507 2.634 502 HB THR 63 HB THR 63 -7.216 -11.312 0.035 503 HG1 THR 63 1HG THR 63 -7.789 -10.662 2.668 504 1HG2 THR 63 1HG2 THR 63 -7.220 -13.447 2.177 505 2HG2 THR 63 2HG2 THR 63 -6.511 -13.603 0.569 506 3HG2 THR 63 3HG2 THR 63 -8.256 -13.410 0.749 507 H ARG 64 H ARG 64 -4.565 -10.259 -0.479 508 HA ARG 64 HA ARG 64 -3.250 -12.631 -1.332 509 1HB ARG 64 2HB ARG 64 -2.371 -9.813 -1.949 510 2HB ARG 64 1HB ARG 64 -2.010 -11.260 -2.871 511 1HG ARG 64 2HG ARG 64 -4.482 -11.433 -3.338 512 2HG ARG 64 1HG ARG 64 -4.632 -9.811 -2.648 513 1HD ARG 64 2HD ARG 64 -2.591 -9.380 -4.322 514 2HD ARG 64 1HD ARG 64 -3.373 -10.699 -5.183 515 HE ARG 64 HE ARG 64 -5.376 -8.904 -4.594 516 1HH1 ARG 64 1HH1 ARG 64 -2.402 -8.935 -6.458 517 2HH1 ARG 64 2HH1 ARG 64 -2.897 -7.633 -7.493 518 1HH2 ARG 64 1HH2 ARG 64 -6.028 -7.208 -5.949 519 2HH2 ARG 64 2HH2 ARG 64 -4.954 -6.634 -7.195 520 H ASN 65 H ASN 65 -2.222 -9.924 0.681 521 HA ASN 65 HA ASN 65 0.523 -10.963 0.703 522 1HB ASN 65 2HB ASN 65 -0.594 -8.258 1.424 523 2HB ASN 65 1HB ASN 65 1.095 -8.712 1.635 524 1HD2 ASN 65 1HD2 ASN 65 -1.409 -7.956 -0.638 525 2HD2 ASN 65 2HD2 ASN 65 -0.379 -7.778 -2.015 526 H GLU 66 H GLU 66 -1.807 -9.549 2.961 527 HA GLU 66 HA GLU 66 -2.565 -10.314 4.947 528 1HB GLU 66 2HB GLU 66 -0.532 -12.474 4.526 529 2HB GLU 66 1HB GLU 66 -1.370 -12.304 6.064 530 1HG GLU 66 2HG GLU 66 -2.779 -12.569 3.420 531 2HG GLU 66 1HG GLU 66 -2.386 -13.936 4.460 532 H TYR 67 H TYR 67 0.408 -8.979 4.347 533 HA TYR 67 HA TYR 67 0.985 -8.521 7.145 534 1HB TYR 67 2HB TYR 67 2.191 -7.453 4.606 535 2HB TYR 67 1HB TYR 67 2.571 -6.734 6.168 536 HD1 TYR 67 1HD TYR 67 2.542 -9.271 7.806 537 HD2 TYR 67 2HD TYR 67 4.304 -8.363 4.049 538 HE1 TYR 67 1HE TYR 67 4.249 -10.987 8.202 539 HE2 TYR 67 2HE TYR 67 6.016 -10.081 4.426 540 HH TYR 67 HH TYR 67 7.077 -11.241 6.346 541 H ARG 68 H ARG 68 -1.157 -7.864 7.607 542 HA ARG 68 HA ARG 68 -1.590 -5.003 7.105 543 1HB ARG 68 2HB ARG 68 -3.059 -6.232 5.585 544 2HB ARG 68 1HB ARG 68 -3.689 -7.177 6.924 545 1HG ARG 68 2HG ARG 68 -3.958 -4.229 7.089 546 2HG ARG 68 1HG ARG 68 -4.975 -5.079 5.927 547 1HD ARG 68 2HD ARG 68 -4.821 -5.491 8.909 548 2HD ARG 68 1HD ARG 68 -6.198 -4.909 7.975 549 HE ARG 68 HE ARG 68 -5.267 -7.578 7.313 550 1HH1 ARG 68 1HH1 ARG 68 -7.535 -5.639 9.148 551 2HH1 ARG 68 2HH1 ARG 68 -8.619 -6.964 9.450 552 1HH2 ARG 68 1HH2 ARG 68 -6.675 -9.309 7.692 553 2HH2 ARG 68 2HH2 ARG 68 -8.145 -9.050 8.584 554 H TRP 69 H TRP 69 -1.892 -7.793 9.140 555 HA TRP 69 HA TRP 69 -2.705 -6.099 11.370 556 1HB TRP 69 2HB TRP 69 -2.872 -8.202 12.658 557 2HB TRP 69 1HB TRP 69 -3.869 -8.245 11.211 558 HD1 TRP 69 HD TRP 69 -3.045 -9.885 9.211 559 HE1 TRP 69 1HE TRP 69 -1.571 -11.993 9.261 560 HE3 TRP 69 3HE TRP 69 -0.905 -9.275 13.820 561 HZ2 TRP 69 2HZ TRP 69 0.256 -13.230 11.021 562 HZ3 TRP 69 3HZ TRP 69 0.694 -10.969 14.611 563 HH2 TRP 69 HH TRP 69 1.261 -12.908 13.237 Start of MODEL 3 1 1H MET 1 1HT MET 1 8.337 -6.459 20.456 2 2H MET 1 2HT MET 1 7.381 -6.927 19.135 3 3H MET 1 3HT MET 1 6.768 -5.834 20.278 4 HA MET 1 HA MET 1 8.400 -4.196 19.657 5 1HB MET 1 2HB MET 1 10.202 -5.671 18.984 6 2HB MET 1 1HB MET 1 9.233 -6.322 17.669 7 1HG MET 1 2HG MET 1 10.892 -4.772 16.834 8 2HG MET 1 1HG MET 1 9.265 -4.153 16.563 9 1HE MET 1 1HE MET 1 10.233 -1.735 16.075 10 2HE MET 1 2HE MET 1 11.863 -2.360 16.318 11 3HE MET 1 3HE MET 1 11.348 -0.896 17.155 12 H ASN 2 H ASN 2 7.200 -2.676 18.739 13 HA ASN 2 HA ASN 2 5.085 -3.220 16.921 14 1HB ASN 2 2HB ASN 2 4.971 -1.263 18.343 15 2HB ASN 2 1HB ASN 2 6.468 -0.633 17.661 16 1HD2 ASN 2 1HD2 ASN 2 6.439 0.361 15.678 17 2HD2 ASN 2 2HD2 ASN 2 4.976 0.788 14.858 18 H LYS 3 H LYS 3 5.052 -3.193 14.724 19 HA LYS 3 HA LYS 3 7.514 -3.694 13.430 20 1HB LYS 3 2HB LYS 3 6.220 -4.082 11.446 21 2HB LYS 3 1HB LYS 3 5.357 -4.761 12.815 22 1HG LYS 3 2HG LYS 3 3.957 -2.668 12.826 23 2HG LYS 3 1HG LYS 3 4.718 -2.257 11.287 24 1HD LYS 3 2HD LYS 3 3.992 -4.623 10.555 25 2HD LYS 3 1HD LYS 3 2.907 -4.555 11.942 26 1HE LYS 3 2HE LYS 3 2.953 -2.733 9.545 27 2HE LYS 3 1HE LYS 3 1.679 -3.853 10.020 28 1HZ LYS 3 1HZ LYS 3 2.488 -1.368 11.429 29 2HZ LYS 3 2HZ LYS 3 1.365 -2.486 12.040 30 3HZ LYS 3 3HZ LYS 3 1.037 -1.655 10.607 31 H ASP 4 H ASP 4 8.840 -2.431 12.338 32 HA ASP 4 HA ASP 4 8.035 0.345 11.779 33 1HB ASP 4 2HB ASP 4 9.830 0.311 13.387 34 2HB ASP 4 1HB ASP 4 10.749 -0.835 12.417 35 H GLU 5 H GLU 5 7.712 0.739 9.685 36 HA GLU 5 HA GLU 5 8.144 -1.196 7.698 37 1HB GLU 5 2HB GLU 5 6.414 0.661 7.713 38 2HB GLU 5 1HB GLU 5 7.693 1.729 7.156 39 1HG GLU 5 2HG GLU 5 7.691 -0.573 5.498 40 2HG GLU 5 1HG GLU 5 6.034 0.003 5.640 41 H ALA 6 H ALA 6 9.380 -1.126 5.799 42 HA ALA 6 HA ALA 6 10.890 -0.438 4.257 43 1HB ALA 6 1HB ALA 6 10.240 1.858 4.878 44 2HB ALA 6 2HB ALA 6 11.928 1.718 4.369 45 3HB ALA 6 3HB ALA 6 11.533 1.865 6.081 46 H GLY 7 H GLY 7 11.532 -1.889 6.973 47 1HA GLY 7 2HA GLY 7 14.318 -2.302 6.156 48 2HA GLY 7 1HA GLY 7 14.000 -1.921 7.842 49 H GLY 8 H GLY 8 12.806 -4.147 5.327 50 1HA GLY 8 2HA GLY 8 13.376 -6.569 6.114 51 2HA GLY 8 1HA GLY 8 12.280 -6.133 7.418 52 H ASN 9 H ASN 9 10.565 -7.435 7.006 53 HA ASN 9 HA ASN 9 9.588 -8.071 4.432 54 1HB ASN 9 2HB ASN 9 7.587 -8.907 5.674 55 2HB ASN 9 1HB ASN 9 9.113 -9.504 6.320 56 1HD2 ASN 9 1HD2 ASN 9 6.378 -7.443 6.879 57 2HD2 ASN 9 2HD2 ASN 9 6.668 -7.167 8.561 58 H TRP 10 H TRP 10 8.724 -5.618 6.770 59 HA TRP 10 HA TRP 10 6.481 -4.522 5.537 60 1HB TRP 10 2HB TRP 10 7.770 -2.369 6.700 61 2HB TRP 10 1HB TRP 10 6.669 -3.473 7.523 62 HD1 TRP 10 HD TRP 10 10.457 -2.974 6.942 63 HE1 TRP 10 1HE TRP 10 11.731 -4.074 8.893 64 HE3 TRP 10 3HE TRP 10 6.513 -5.092 9.399 65 HZ2 TRP 10 2HZ TRP 10 11.141 -5.620 11.167 66 HZ3 TRP 10 3HZ TRP 10 6.953 -6.365 11.458 67 HH2 TRP 10 HH TRP 10 9.221 -6.624 12.324 68 H LYS 11 H LYS 11 9.897 -4.103 4.905 69 HA LYS 11 HA LYS 11 9.718 -1.911 3.110 70 1HB LYS 11 2HB LYS 11 11.795 -2.704 4.263 71 2HB LYS 11 1HB LYS 11 11.794 -4.111 3.210 72 1HG LYS 11 2HG LYS 11 11.988 -2.571 1.264 73 2HG LYS 11 1HG LYS 11 12.164 -1.237 2.408 74 1HD LYS 11 2HD LYS 11 14.113 -2.402 3.398 75 2HD LYS 11 1HD LYS 11 13.967 -3.643 2.154 76 1HE LYS 11 2HE LYS 11 15.661 -2.128 1.450 77 2HE LYS 11 1HE LYS 11 14.243 -1.831 0.444 78 1HZ LYS 11 1HZ LYS 11 15.003 -0.223 2.826 79 2HZ LYS 11 2HZ LYS 11 13.715 0.094 1.768 80 3HZ LYS 11 3HZ LYS 11 15.312 0.218 1.220 81 H GLN 12 H GLN 12 9.179 -5.317 2.830 82 HA GLN 12 HA GLN 12 9.389 -5.478 -0.019 83 1HB GLN 12 2HB GLN 12 9.752 -7.418 1.469 84 2HB GLN 12 1HB GLN 12 8.065 -7.357 1.947 85 1HG GLN 12 2HG GLN 12 7.363 -7.916 -0.289 86 2HG GLN 12 1HG GLN 12 9.032 -7.855 -0.858 87 1HE2 GLN 12 1HE2 GLN 12 7.128 -10.074 -0.922 88 2HE2 GLN 12 2HE2 GLN 12 7.880 -11.372 -0.060 89 H PHE 13 H PHE 13 6.774 -4.955 2.299 90 HA PHE 13 HA PHE 13 4.747 -5.071 0.262 91 1HB PHE 13 2HB PHE 13 4.624 -4.160 3.138 92 2HB PHE 13 1HB PHE 13 3.221 -4.219 2.057 93 HD1 PHE 13 1HD PHE 13 2.688 -6.413 0.923 94 HD2 PHE 13 2HD PHE 13 5.344 -6.024 4.217 95 HE1 PHE 13 1HE PHE 13 2.587 -8.806 1.256 96 HE2 PHE 13 2HE PHE 13 5.230 -8.447 4.589 97 HZ PHE 13 HZ PHE 13 3.845 -9.865 3.111 98 H LYS 14 H LYS 14 6.728 -2.610 1.668 99 HA LYS 14 HA LYS 14 5.580 -0.330 0.563 100 1HB LYS 14 2HB LYS 14 7.662 -0.224 1.857 101 2HB LYS 14 1HB LYS 14 8.513 -1.101 0.593 102 1HG LYS 14 2HG LYS 14 7.966 0.794 -0.960 103 2HG LYS 14 1HG LYS 14 7.370 1.682 0.442 104 1HD LYS 14 2HD LYS 14 10.173 0.613 0.092 105 2HD LYS 14 1HD LYS 14 9.676 2.291 -0.121 106 1HE LYS 14 2HE LYS 14 9.481 0.710 2.440 107 2HE LYS 14 1HE LYS 14 10.715 1.913 2.064 108 1HZ LYS 14 1HZ LYS 14 7.820 2.534 2.098 109 2HZ LYS 14 2HZ LYS 14 9.115 3.632 2.080 110 3HZ LYS 14 3HZ LYS 14 8.804 2.697 3.460 111 H GLY 15 H GLY 15 7.655 -2.777 -0.926 112 1HA GLY 15 2HA GLY 15 7.538 -1.716 -3.555 113 2HA GLY 15 1HA GLY 15 8.031 -3.345 -3.116 114 H LYS 16 H LYS 16 5.809 -4.474 -2.046 115 HA LYS 16 HA LYS 16 4.406 -5.256 -4.318 116 1HB LYS 16 2HB LYS 16 4.163 -5.741 -1.432 117 2HB LYS 16 1HB LYS 16 2.656 -5.915 -2.324 118 1HG LYS 16 2HG LYS 16 3.779 -8.045 -2.161 119 2HG LYS 16 1HG LYS 16 3.758 -7.503 -3.841 120 1HD LYS 16 2HD LYS 16 6.080 -6.549 -3.373 121 2HD LYS 16 1HD LYS 16 6.055 -7.528 -1.908 122 1HE LYS 16 2HE LYS 16 7.186 -8.729 -3.671 123 2HE LYS 16 1HE LYS 16 5.665 -9.531 -3.282 124 1HZ LYS 16 1HZ LYS 16 5.959 -7.618 -5.535 125 2HZ LYS 16 2HZ LYS 16 4.667 -8.674 -5.233 126 3HZ LYS 16 3HZ LYS 16 6.170 -9.294 -5.706 127 H VAL 17 H VAL 17 3.229 -3.112 -1.700 128 HA VAL 17 HA VAL 17 0.798 -2.439 -2.904 129 HB VAL 17 HB VAL 17 2.532 -0.641 -1.191 130 1HG1 VAL 17 1HG1 VAL 17 -0.409 -0.479 -1.837 131 2HG1 VAL 17 2HG1 VAL 17 0.843 0.632 -2.394 132 3HG1 VAL 17 3HG1 VAL 17 0.446 0.538 -0.678 133 1HG2 VAL 17 1HG2 VAL 17 1.980 -2.745 -0.092 134 2HG2 VAL 17 2HG2 VAL 17 0.271 -2.493 -0.447 135 3HG2 VAL 17 3HG2 VAL 17 1.115 -1.399 0.652 136 H LYS 18 H LYS 18 4.018 -1.001 -3.414 137 HA LYS 18 HA LYS 18 3.080 1.024 -5.193 138 1HB LYS 18 2HB LYS 18 5.828 -0.061 -4.614 139 2HB LYS 18 1HB LYS 18 5.549 1.170 -5.839 140 1HG LYS 18 2HG LYS 18 4.627 2.664 -4.153 141 2HG LYS 18 1HG LYS 18 4.859 1.422 -2.918 142 1HD LYS 18 2HD LYS 18 6.662 3.060 -2.838 143 2HD LYS 18 1HD LYS 18 7.276 1.478 -3.324 144 1HE LYS 18 2HE LYS 18 7.212 2.198 -5.677 145 2HE LYS 18 1HE LYS 18 6.659 3.791 -5.160 146 1HZ LYS 18 1HZ LYS 18 8.728 4.130 -3.995 147 2HZ LYS 18 2HZ LYS 18 9.062 3.691 -5.598 148 3HZ LYS 18 3HZ LYS 18 9.238 2.551 -4.356 149 H GLU 19 H GLU 19 3.609 -2.315 -5.617 150 HA GLU 19 HA GLU 19 3.939 -2.082 -8.501 151 1HB GLU 19 2HB GLU 19 3.545 -4.542 -6.783 152 2HB GLU 19 1HB GLU 19 3.962 -4.541 -8.488 153 1HG GLU 19 2HG GLU 19 6.071 -3.355 -7.903 154 2HG GLU 19 1HG GLU 19 5.655 -3.563 -6.203 155 H GLN 20 H GLN 20 1.521 -2.932 -6.125 156 HA GLN 20 HA GLN 20 -0.420 -3.769 -8.070 157 1HB GLN 20 2HB GLN 20 -0.946 -4.955 -6.251 158 2HB GLN 20 1HB GLN 20 -0.052 -3.882 -5.199 159 1HG GLN 20 2HG GLN 20 -2.269 -3.962 -4.427 160 2HG GLN 20 1HG GLN 20 -2.027 -2.382 -5.160 161 1HE2 GLN 20 1HE2 GLN 20 -4.250 -2.144 -5.321 162 2HE2 GLN 20 2HE2 GLN 20 -5.173 -2.951 -6.518 163 H TRP 21 H TRP 21 0.123 -0.862 -6.099 164 HA TRP 21 HA TRP 21 -2.076 0.387 -7.593 165 1HB TRP 21 2HB TRP 21 -0.874 1.063 -4.923 166 2HB TRP 21 1HB TRP 21 -1.763 2.270 -5.828 167 HD1 TRP 21 HD TRP 21 -4.372 1.694 -6.383 168 HE1 TRP 21 1HE TRP 21 -6.091 0.309 -5.062 169 HE3 TRP 21 3HE TRP 21 -1.145 -0.876 -3.376 170 HZ2 TRP 21 2HZ TRP 21 -6.058 -1.627 -3.005 171 HZ3 TRP 21 3HZ TRP 21 -2.070 -2.485 -1.764 172 HH2 TRP 21 HH TRP 21 -4.478 -2.852 -1.583 173 H GLY 22 H GLY 22 1.150 1.409 -6.368 174 1HA GLY 22 2HA GLY 22 2.898 2.246 -7.669 175 2HA GLY 22 1HA GLY 22 1.848 2.174 -9.072 176 H LYS 23 H LYS 23 -0.261 3.748 -7.720 177 HA LYS 23 HA LYS 23 0.628 6.373 -8.352 178 1HB LYS 23 2HB LYS 23 -1.854 5.167 -7.230 179 2HB LYS 23 1HB LYS 23 -1.608 6.883 -6.958 180 1HG LYS 23 2HG LYS 23 -1.521 5.616 -9.679 181 2HG LYS 23 1HG LYS 23 -2.987 6.279 -8.956 182 1HD LYS 23 2HD LYS 23 -2.357 8.184 -9.967 183 2HD LYS 23 1HD LYS 23 -1.253 8.338 -8.604 184 1HE LYS 23 2HE LYS 23 -0.071 8.713 -10.684 185 2HE LYS 23 1HE LYS 23 0.503 7.232 -9.917 186 1HZ LYS 23 1HZ LYS 23 -0.673 5.914 -11.459 187 2HZ LYS 23 2HZ LYS 23 0.083 7.122 -12.380 188 3HZ LYS 23 3HZ LYS 23 -1.572 7.233 -12.035 189 H LEU 24 H LEU 24 0.760 4.441 -5.554 190 HA LEU 24 HA LEU 24 1.136 6.665 -3.736 191 1HB LEU 24 2HB LEU 24 1.045 3.677 -3.418 192 2HB LEU 24 1HB LEU 24 1.544 4.730 -2.107 193 HG LEU 24 HG LEU 24 -1.098 5.056 -3.503 194 1HD1 LEU 24 1HD1 LEU 24 -0.973 2.814 -2.503 195 2HD1 LEU 24 2HD1 LEU 24 -2.119 3.868 -1.673 196 3HD1 LEU 24 3HD1 LEU 24 -0.538 3.549 -0.960 197 1HD2 LEU 24 1HD2 LEU 24 -0.019 6.912 -2.165 198 2HD2 LEU 24 2HD2 LEU 24 -0.257 5.892 -0.749 199 3HD2 LEU 24 3HD2 LEU 24 -1.647 6.439 -1.693 200 H THR 25 H THR 25 3.039 7.255 -2.817 201 HA THR 25 HA THR 25 5.436 6.135 -4.106 202 HB THR 25 HB THR 25 6.451 8.368 -3.834 203 HG1 THR 25 1HG THR 25 3.975 8.865 -2.583 204 1HG2 THR 25 1HG2 THR 25 3.810 8.330 -5.291 205 2HG2 THR 25 2HG2 THR 25 5.362 7.787 -5.927 206 3HG2 THR 25 3HG2 THR 25 5.107 9.495 -5.566 207 H ASP 26 H ASP 26 7.473 6.866 -2.752 208 HA ASP 26 HA ASP 26 7.470 5.168 -0.555 209 1HB ASP 26 2HB ASP 26 9.387 7.278 -1.481 210 2HB ASP 26 1HB ASP 26 9.683 6.378 0.005 211 H ASP 27 H ASP 27 7.057 8.684 -0.629 212 HA ASP 27 HA ASP 27 7.090 9.202 2.111 213 1HB ASP 27 2HB ASP 27 6.891 11.074 0.672 214 2HB ASP 27 1HB ASP 27 5.452 10.431 -0.103 215 H ASP 28 H ASP 28 4.378 8.222 0.056 216 HA ASP 28 HA ASP 28 2.408 8.158 2.054 217 1HB ASP 28 2HB ASP 28 2.590 6.416 -0.408 218 2HB ASP 28 1HB ASP 28 1.154 6.720 0.531 219 H MET 29 H MET 29 4.513 5.682 0.717 220 HA MET 29 HA MET 29 3.495 3.493 2.123 221 1HB MET 29 2HB MET 29 6.395 3.697 1.430 222 2HB MET 29 1HB MET 29 5.333 2.303 1.358 223 1HG MET 29 2HG MET 29 5.388 4.642 -0.515 224 2HG MET 29 1HG MET 29 5.876 2.984 -0.860 225 1HE MET 29 1HE MET 29 2.572 1.048 -0.940 226 2HE MET 29 2HE MET 29 3.734 1.197 0.380 227 3HE MET 29 3HE MET 29 4.302 1.038 -1.282 228 H THR 30 H THR 30 5.960 5.855 2.973 229 HA THR 30 HA THR 30 6.967 4.654 5.298 230 HB THR 30 HB THR 30 6.603 7.618 4.774 231 HG1 THR 30 1HG THR 30 7.763 6.537 3.092 232 1HG2 THR 30 1HG2 THR 30 8.521 7.909 6.259 233 2HG2 THR 30 2HG2 THR 30 8.589 6.166 6.528 234 3HG2 THR 30 3HG2 THR 30 7.201 7.093 7.098 235 H ILE 31 H ILE 31 4.038 6.443 4.669 236 HA ILE 31 HA ILE 31 3.357 6.624 7.489 237 HB ILE 31 HB ILE 31 1.248 7.257 5.546 238 1HG1 ILE 31 2HG1 ILE 31 3.833 8.861 5.528 239 2HG1 ILE 31 1HG1 ILE 31 3.131 7.971 4.185 240 1HG2 ILE 31 1HG2 ILE 31 1.089 9.284 6.939 241 2HG2 ILE 31 2HG2 ILE 31 2.522 8.762 7.824 242 3HG2 ILE 31 3HG2 ILE 31 1.046 7.798 7.887 243 1HD1 ILE 31 1HD1 ILE 31 2.737 10.339 3.946 244 2HD1 ILE 31 2HD1 ILE 31 1.930 10.382 5.514 245 3HD1 ILE 31 3HD1 ILE 31 1.214 9.478 4.179 246 H ILE 32 H ILE 32 2.898 4.495 4.839 247 HA ILE 32 HA ILE 32 0.411 3.409 5.854 248 HB ILE 32 HB ILE 32 2.035 2.487 3.477 249 1HG1 ILE 32 2HG1 ILE 32 -0.458 4.198 3.637 250 2HG1 ILE 32 1HG1 ILE 32 1.153 4.772 3.220 251 1HG2 ILE 32 1HG2 ILE 32 0.612 0.715 4.385 252 2HG2 ILE 32 2HG2 ILE 32 -0.008 1.283 2.832 253 3HG2 ILE 32 3HG2 ILE 32 -0.780 1.800 4.330 254 1HD1 ILE 32 1HD1 ILE 32 1.127 3.374 1.219 255 2HD1 ILE 32 2HD1 ILE 32 -0.227 4.503 1.248 256 3HD1 ILE 32 3HD1 ILE 32 -0.488 2.804 1.642 257 H GLU 33 H GLU 33 3.512 1.815 4.883 258 HA GLU 33 HA GLU 33 4.698 0.110 5.843 259 1HB GLU 33 2HB GLU 33 4.938 1.486 7.739 260 2HB GLU 33 1HB GLU 33 3.261 1.282 8.213 261 1HG GLU 33 2HG GLU 33 3.829 -1.140 8.639 262 2HG GLU 33 1HG GLU 33 5.521 -0.661 8.474 263 H GLY 34 H GLY 34 1.531 0.012 7.415 264 1HA GLY 34 2HA GLY 34 0.653 -2.408 6.310 265 2HA GLY 34 1HA GLY 34 1.461 -2.752 7.842 266 H LYS 35 H LYS 35 -0.245 0.200 7.118 267 HA LYS 35 HA LYS 35 -2.206 -0.418 9.205 268 1HB LYS 35 2HB LYS 35 -1.960 2.192 7.724 269 2HB LYS 35 1HB LYS 35 -2.700 1.897 9.288 270 1HG LYS 35 2HG LYS 35 0.250 1.650 8.766 271 2HG LYS 35 1HG LYS 35 -0.523 3.130 9.328 272 1HD LYS 35 2HD LYS 35 -1.380 1.833 11.293 273 2HD LYS 35 1HD LYS 35 -0.379 0.477 10.755 274 1HE LYS 35 2HE LYS 35 1.620 1.831 10.955 275 2HE LYS 35 1HE LYS 35 0.657 3.242 11.385 276 1HZ LYS 35 1HZ LYS 35 -0.114 1.950 13.356 277 2HZ LYS 35 2HZ LYS 35 1.528 2.348 13.371 278 3HZ LYS 35 3HZ LYS 35 1.045 0.772 12.978 279 H ARG 36 H ARG 36 -4.072 -1.237 8.567 280 HA ARG 36 HA ARG 36 -4.854 -1.571 5.892 281 1HB ARG 36 2HB ARG 36 -5.564 -2.876 7.965 282 2HB ARG 36 1HB ARG 36 -6.692 -1.574 8.289 283 1HG ARG 36 2HG ARG 36 -6.730 -3.058 5.687 284 2HG ARG 36 1HG ARG 36 -7.553 -3.676 7.118 285 1HD ARG 36 2HD ARG 36 -8.690 -1.398 7.236 286 2HD ARG 36 1HD ARG 36 -8.086 -1.142 5.599 287 HE ARG 36 HE ARG 36 -9.387 -3.613 5.651 288 1HH1 ARG 36 1HH1 ARG 36 -10.193 -0.217 5.992 289 2HH1 ARG 36 2HH1 ARG 36 -11.831 -0.427 5.442 290 1HH2 ARG 36 1HH2 ARG 36 -11.547 -3.880 4.970 291 2HH2 ARG 36 2HH2 ARG 36 -12.594 -2.494 4.873 292 H ASP 37 H ASP 37 -5.670 0.844 8.310 293 HA ASP 37 HA ASP 37 -7.658 2.174 6.744 294 1HB ASP 37 2HB ASP 37 -7.610 2.349 9.190 295 2HB ASP 37 1HB ASP 37 -6.057 3.166 9.104 296 H GLN 38 H GLN 38 -4.186 2.595 7.184 297 HA GLN 38 HA GLN 38 -3.972 5.125 5.995 298 1HB GLN 38 2HB GLN 38 -2.086 2.940 6.624 299 2HB GLN 38 1HB GLN 38 -1.574 4.069 5.374 300 1HG GLN 38 2HG GLN 38 -2.437 4.795 8.163 301 2HG GLN 38 1HG GLN 38 -0.776 4.743 7.569 302 1HE2 GLN 38 1HE2 GLN 38 -2.320 6.961 8.673 303 2HE2 GLN 38 2HE2 GLN 38 -2.299 8.203 7.474 304 H LEU 39 H LEU 39 -3.635 1.891 4.544 305 HA LEU 39 HA LEU 39 -3.112 2.877 1.956 306 1HB LEU 39 2HB LEU 39 -2.548 0.613 2.482 307 2HB LEU 39 1HB LEU 39 -4.210 0.233 2.888 308 HG LEU 39 HG LEU 39 -4.869 0.400 0.558 309 1HD1 LEU 39 1HD1 LEU 39 -3.314 2.181 -0.139 310 2HD1 LEU 39 2HD1 LEU 39 -3.295 0.790 -1.231 311 3HD1 LEU 39 3HD1 LEU 39 -1.987 1.019 -0.065 312 1HD2 LEU 39 1HD2 LEU 39 -3.523 -1.435 -0.373 313 2HD2 LEU 39 2HD2 LEU 39 -4.070 -1.740 1.280 314 3HD2 LEU 39 3HD2 LEU 39 -2.400 -1.254 0.976 315 H VAL 40 H VAL 40 -6.156 1.983 3.580 316 HA VAL 40 HA VAL 40 -7.804 2.267 1.325 317 HB VAL 40 HB VAL 40 -8.354 1.379 3.746 318 1HG1 VAL 40 1HG1 VAL 40 -9.779 2.896 5.031 319 2HG1 VAL 40 2HG1 VAL 40 -9.340 4.217 3.946 320 3HG1 VAL 40 3HG1 VAL 40 -8.108 3.456 4.954 321 1HG2 VAL 40 1HG2 VAL 40 -10.746 1.588 3.246 322 2HG2 VAL 40 2HG2 VAL 40 -9.798 1.134 1.830 323 3HG2 VAL 40 3HG2 VAL 40 -10.369 2.792 2.011 324 H GLY 41 H GLY 41 -6.659 4.643 3.674 325 1HA GLY 41 2HA GLY 41 -8.133 6.824 2.539 326 2HA GLY 41 1HA GLY 41 -6.819 6.946 3.703 327 H LYS 42 H LYS 42 -4.841 5.605 2.242 328 HA LYS 42 HA LYS 42 -3.857 7.731 0.701 329 1HB LYS 42 2HB LYS 42 -2.953 4.990 1.348 330 2HB LYS 42 1HB LYS 42 -2.217 5.746 -0.046 331 1HG LYS 42 2HG LYS 42 -2.081 6.561 2.837 332 2HG LYS 42 1HG LYS 42 -0.760 6.240 1.702 333 1HD LYS 42 2HD LYS 42 -1.257 8.287 0.497 334 2HD LYS 42 1HD LYS 42 -2.643 8.598 1.540 335 1HE LYS 42 2HE LYS 42 -1.096 8.688 3.477 336 2HE LYS 42 1HE LYS 42 0.251 8.555 2.348 337 1HZ LYS 42 1HZ LYS 42 -1.795 10.702 2.172 338 2HZ LYS 42 2HZ LYS 42 -0.296 10.624 1.377 339 3HZ LYS 42 3HZ LYS 42 -0.352 10.876 3.050 340 H ILE 43 H ILE 43 -5.352 4.659 -0.272 341 HA ILE 43 HA ILE 43 -5.129 4.988 -3.052 342 HB ILE 43 HB ILE 43 -7.451 3.817 -1.491 343 1HG1 ILE 43 2HG1 ILE 43 -5.141 2.424 -2.860 344 2HG1 ILE 43 1HG1 ILE 43 -5.250 2.709 -1.127 345 1HG2 ILE 43 1HG2 ILE 43 -8.016 2.643 -3.578 346 2HG2 ILE 43 2HG2 ILE 43 -6.755 3.554 -4.411 347 3HG2 ILE 43 3HG2 ILE 43 -8.150 4.395 -3.737 348 1HD1 ILE 43 1HD1 ILE 43 -7.268 1.352 -1.028 349 2HD1 ILE 43 2HD1 ILE 43 -5.903 0.445 -1.686 350 3HD1 ILE 43 3HD1 ILE 43 -7.155 1.066 -2.764 351 H GLN 44 H GLN 44 -7.688 6.107 -0.833 352 HA GLN 44 HA GLN 44 -9.228 7.499 -2.725 353 1HB GLN 44 2HB GLN 44 -8.853 7.969 0.233 354 2HB GLN 44 1HB GLN 44 -10.059 8.799 -0.738 355 1HG GLN 44 2HG GLN 44 -11.186 6.743 -1.210 356 2HG GLN 44 1HG GLN 44 -9.902 5.811 -0.441 357 1HE2 GLN 44 1HE2 GLN 44 -9.756 5.763 1.781 358 2HE2 GLN 44 2HE2 GLN 44 -11.039 6.290 2.813 359 H GLU 45 H GLU 45 -6.274 8.346 -1.127 360 HA GLU 45 HA GLU 45 -6.471 11.178 -1.661 361 1HB GLU 45 2HB GLU 45 -4.215 9.448 -0.652 362 2HB GLU 45 1HB GLU 45 -4.045 11.174 -0.921 363 1HG GLU 45 2HG GLU 45 -5.782 11.610 0.734 364 2HG GLU 45 1HG GLU 45 -5.967 9.876 0.997 365 H ARG 46 H ARG 46 -4.542 8.490 -2.913 366 HA ARG 46 HA ARG 46 -3.042 10.142 -4.683 367 1HB ARG 46 2HB ARG 46 -3.216 7.230 -4.110 368 2HB ARG 46 1HB ARG 46 -2.417 7.737 -5.587 369 1HG ARG 46 2HG ARG 46 -1.706 8.562 -2.786 370 2HG ARG 46 1HG ARG 46 -0.806 7.455 -3.826 371 1HD ARG 46 2HD ARG 46 -0.379 9.258 -5.397 372 2HD ARG 46 1HD ARG 46 -1.319 10.354 -4.398 373 HE ARG 46 HE ARG 46 0.651 9.355 -2.749 374 1HH1 ARG 46 1HH1 ARG 46 0.531 11.182 -5.737 375 2HH1 ARG 46 2HH1 ARG 46 2.035 12.004 -5.441 376 1HH2 ARG 46 1HH2 ARG 46 2.614 10.428 -2.361 377 2HH2 ARG 46 2HH2 ARG 46 3.225 11.559 -3.532 378 H TYR 47 H TYR 47 -5.681 7.835 -5.173 379 HA TYR 47 HA TYR 47 -5.710 8.462 -8.023 380 1HB TYR 47 2HB TYR 47 -7.387 6.590 -6.350 381 2HB TYR 47 1HB TYR 47 -7.590 6.822 -8.076 382 HD1 TYR 47 1HD TYR 47 -5.380 5.433 -5.477 383 HD2 TYR 47 2HD TYR 47 -6.128 5.828 -9.647 384 HE1 TYR 47 1HE TYR 47 -3.803 3.627 -5.924 385 HE2 TYR 47 2HE TYR 47 -4.543 4.016 -10.106 386 HH TYR 47 HH TYR 47 -3.469 1.906 -7.814 387 H GLY 48 H GLY 48 -7.721 8.783 -5.170 388 1HA GLY 48 2HA GLY 48 -9.247 10.573 -4.787 389 2HA GLY 48 1HA GLY 48 -9.301 10.857 -6.524 390 H TYR 49 H TYR 49 -9.921 8.156 -4.309 391 HA TYR 49 HA TYR 49 -12.239 7.418 -5.964 392 1HB TYR 49 2HB TYR 49 -10.426 5.775 -4.210 393 2HB TYR 49 1HB TYR 49 -11.963 5.172 -4.807 394 HD1 TYR 49 1HD TYR 49 -8.911 4.371 -5.255 395 HD2 TYR 49 2HD TYR 49 -11.879 6.335 -7.583 396 HE1 TYR 49 1HE TYR 49 -7.829 3.562 -7.313 397 HE2 TYR 49 2HE TYR 49 -10.796 5.550 -9.648 398 HH TYR 49 HH TYR 49 -8.461 4.801 -10.341 399 H GLN 50 H GLN 50 -13.813 6.029 -4.623 400 HA GLN 50 HA GLN 50 -14.591 7.477 -2.224 401 1HB GLN 50 2HB GLN 50 -15.932 5.177 -3.667 402 2HB GLN 50 1HB GLN 50 -16.629 6.101 -2.344 403 1HG GLN 50 2HG GLN 50 -15.850 7.292 -4.992 404 2HG GLN 50 1HG GLN 50 -17.469 6.711 -4.603 405 1HE2 GLN 50 1HE2 GLN 50 -18.728 7.838 -3.158 406 2HE2 GLN 50 2HE2 GLN 50 -18.364 9.464 -2.678 407 H LYS 51 H LYS 51 -14.946 6.322 -0.188 408 HA LYS 51 HA LYS 51 -12.919 4.507 0.486 409 1HB LYS 51 2HB LYS 51 -14.158 5.903 2.140 410 2HB LYS 51 1HB LYS 51 -15.558 4.856 1.926 411 1HG LYS 51 2HG LYS 51 -14.132 2.938 2.649 412 2HG LYS 51 1HG LYS 51 -12.866 4.100 3.037 413 1HD LYS 51 2HD LYS 51 -14.092 3.517 5.036 414 2HD LYS 51 1HD LYS 51 -14.399 5.204 4.619 415 1HE LYS 51 2HE LYS 51 -16.549 4.683 3.747 416 2HE LYS 51 1HE LYS 51 -16.226 2.952 3.814 417 1HZ LYS 51 1HZ LYS 51 -16.274 4.636 6.249 418 2HZ LYS 51 2HZ LYS 51 -16.370 2.944 6.135 419 3HZ LYS 51 3HZ LYS 51 -17.671 3.903 5.629 420 H ASP 52 H ASP 52 -16.060 4.051 -0.860 421 HA ASP 52 HA ASP 52 -16.554 1.367 -0.348 422 1HB ASP 52 2HB ASP 52 -18.148 2.873 -1.482 423 2HB ASP 52 1HB ASP 52 -17.100 2.924 -2.890 424 H GLN 53 H GLN 53 -15.023 2.768 -3.227 425 HA GLN 53 HA GLN 53 -14.211 0.297 -4.311 426 1HB GLN 53 2HB GLN 53 -14.479 2.407 -5.606 427 2HB GLN 53 1HB GLN 53 -13.042 3.035 -4.814 428 1HG GLN 53 2HG GLN 53 -11.712 1.226 -5.763 429 2HG GLN 53 1HG GLN 53 -13.148 0.580 -6.550 430 1HE2 GLN 53 1HE2 GLN 53 -10.635 1.457 -7.686 431 2HE2 GLN 53 2HE2 GLN 53 -11.033 2.709 -8.817 432 H ALA 54 H ALA 54 -12.626 2.659 -2.251 433 HA ALA 54 HA ALA 54 -10.007 1.715 -2.462 434 1HB ALA 54 1HB ALA 54 -11.315 3.077 -0.111 435 2HB ALA 54 2HB ALA 54 -10.562 3.880 -1.490 436 3HB ALA 54 3HB ALA 54 -9.578 2.921 -0.384 437 H GLU 55 H GLU 55 -12.553 0.867 -0.098 438 HA GLU 55 HA GLU 55 -10.919 -0.896 1.380 439 1HB GLU 55 2HB GLU 55 -13.922 -0.824 1.093 440 2HB GLU 55 1HB GLU 55 -13.069 -1.882 2.210 441 1HG GLU 55 2HG GLU 55 -12.016 0.284 3.115 442 2HG GLU 55 1HG GLU 55 -13.326 1.095 2.259 443 H LYS 56 H LYS 56 -12.995 -1.385 -1.426 444 HA LYS 56 HA LYS 56 -12.935 -4.182 -1.493 445 1HB LYS 56 2HB LYS 56 -13.019 -2.311 -3.867 446 2HB LYS 56 1HB LYS 56 -13.525 -3.995 -3.849 447 1HG LYS 56 2HG LYS 56 -15.272 -3.428 -2.217 448 2HG LYS 56 1HG LYS 56 -14.793 -1.733 -2.324 449 1HD LYS 56 2HD LYS 56 -16.662 -1.993 -3.749 450 2HD LYS 56 1HD LYS 56 -15.251 -1.897 -4.803 451 1HE LYS 56 2HE LYS 56 -15.235 -4.296 -5.064 452 2HE LYS 56 1HE LYS 56 -16.558 -4.458 -3.908 453 1HZ LYS 56 1HZ LYS 56 -16.626 -3.379 -6.657 454 2HZ LYS 56 2HZ LYS 56 -17.816 -2.952 -5.528 455 3HZ LYS 56 3HZ LYS 56 -17.598 -4.580 -5.950 456 H GLU 57 H GLU 57 -10.701 -1.812 -2.894 457 HA GLU 57 HA GLU 57 -8.993 -3.782 -4.047 458 1HB GLU 57 2HB GLU 57 -8.562 -0.853 -3.451 459 2HB GLU 57 1HB GLU 57 -7.412 -1.861 -4.322 460 1HG GLU 57 2HG GLU 57 -9.022 -2.258 -6.073 461 2HG GLU 57 1HG GLU 57 -10.249 -1.366 -5.181 462 H VAL 58 H VAL 58 -8.958 -1.935 -1.021 463 HA VAL 58 HA VAL 58 -6.429 -2.734 -0.120 464 HB VAL 58 HB VAL 58 -8.892 -1.986 1.466 465 1HG1 VAL 58 1HG1 VAL 58 -6.059 -2.384 2.432 466 2HG1 VAL 58 2HG1 VAL 58 -7.461 -3.365 2.865 467 3HG1 VAL 58 3HG1 VAL 58 -7.370 -1.680 3.379 468 1HG2 VAL 58 1HG2 VAL 58 -6.375 -0.457 0.812 469 2HG2 VAL 58 2HG2 VAL 58 -7.723 0.133 1.785 470 3HG2 VAL 58 3HG2 VAL 58 -7.955 -0.209 0.069 471 H VAL 59 H VAL 59 -9.627 -4.138 0.661 472 HA VAL 59 HA VAL 59 -8.617 -6.266 2.207 473 HB VAL 59 HB VAL 59 -11.220 -6.145 0.663 474 1HG1 VAL 59 1HG1 VAL 59 -10.645 -8.435 1.294 475 2HG1 VAL 59 2HG1 VAL 59 -12.012 -7.843 2.239 476 3HG1 VAL 59 3HG1 VAL 59 -10.406 -7.922 2.964 477 1HG2 VAL 59 1HG2 VAL 59 -12.206 -5.451 2.792 478 2HG2 VAL 59 2HG2 VAL 59 -10.981 -4.304 2.249 479 3HG2 VAL 59 3HG2 VAL 59 -10.606 -5.451 3.536 480 H ASP 60 H ASP 60 -9.301 -5.971 -1.237 481 HA ASP 60 HA ASP 60 -8.954 -8.640 -1.992 482 1HB ASP 60 2HB ASP 60 -9.837 -6.904 -3.500 483 2HB ASP 60 1HB ASP 60 -8.253 -6.138 -3.549 484 H TRP 61 H TRP 61 -6.558 -5.995 -2.037 485 HA TRP 61 HA TRP 61 -4.362 -7.653 -2.693 486 1HB TRP 61 2HB TRP 61 -4.331 -5.236 -3.074 487 2HB TRP 61 1HB TRP 61 -4.409 -4.947 -1.340 488 HD1 TRP 61 HD TRP 61 -1.992 -6.033 -4.092 489 HE1 TRP 61 1HE TRP 61 0.413 -5.910 -3.182 490 HE3 TRP 61 3HE TRP 61 -3.033 -5.093 0.825 491 HZ2 TRP 61 2HZ TRP 61 1.699 -5.481 -0.703 492 HZ3 TRP 61 3HZ TRP 61 -1.159 -4.842 2.402 493 HH2 TRP 61 HH TRP 61 1.155 -5.031 1.653 494 H GLU 62 H GLU 62 -5.636 -6.466 0.376 495 HA GLU 62 HA GLU 62 -3.641 -7.385 2.084 496 1HB GLU 62 2HB GLU 62 -5.208 -5.972 3.076 497 2HB GLU 62 1HB GLU 62 -6.575 -6.868 2.430 498 1HG GLU 62 2HG GLU 62 -6.458 -8.486 4.061 499 2HG GLU 62 1HG GLU 62 -4.766 -8.162 4.412 500 H THR 63 H THR 63 -6.474 -9.067 0.816 501 HA THR 63 HA THR 63 -5.979 -11.437 2.320 502 HB THR 63 HB THR 63 -7.685 -11.051 -0.135 503 HG1 THR 63 1HG THR 63 -8.503 -9.714 1.391 504 1HG2 THR 63 1HG2 THR 63 -7.228 -13.420 0.349 505 2HG2 THR 63 2HG2 THR 63 -8.918 -13.012 0.643 506 3HG2 THR 63 3HG2 THR 63 -7.805 -13.188 2.001 507 H ARG 64 H ARG 64 -4.795 -10.207 -0.711 508 HA ARG 64 HA ARG 64 -4.012 -12.698 -1.849 509 1HB ARG 64 2HB ARG 64 -2.931 -9.918 -2.329 510 2HB ARG 64 1HB ARG 64 -2.493 -11.328 -3.278 511 1HG ARG 64 2HG ARG 64 -4.854 -11.572 -3.946 512 2HG ARG 64 1HG ARG 64 -5.227 -10.087 -3.064 513 1HD ARG 64 2HD ARG 64 -3.561 -8.904 -4.483 514 2HD ARG 64 1HD ARG 64 -3.363 -10.384 -5.418 515 HE ARG 64 HE ARG 64 -5.996 -9.072 -5.183 516 1HH1 ARG 64 1HH1 ARG 64 -3.315 -10.169 -7.165 517 2HH1 ARG 64 2HH1 ARG 64 -4.208 -10.040 -8.656 518 1HH2 ARG 64 1HH2 ARG 64 -7.142 -8.879 -7.120 519 2HH2 ARG 64 2HH2 ARG 64 -6.385 -9.304 -8.627 520 H ASN 65 H ASN 65 -2.373 -10.344 0.204 521 HA ASN 65 HA ASN 65 0.057 -11.986 0.188 522 1HB ASN 65 2HB ASN 65 -0.458 -9.207 1.264 523 2HB ASN 65 1HB ASN 65 1.087 -10.043 1.364 524 1HD2 ASN 65 1HD2 ASN 65 -1.219 -8.527 -0.754 525 2HD2 ASN 65 2HD2 ASN 65 -0.154 -8.348 -2.101 526 H GLU 66 H GLU 66 -2.102 -10.373 2.443 527 HA GLU 66 HA GLU 66 -3.109 -11.072 4.351 528 1HB GLU 66 2HB GLU 66 -1.542 -13.617 3.961 529 2HB GLU 66 1HB GLU 66 -2.607 -13.335 5.330 530 1HG GLU 66 2HG GLU 66 -4.393 -12.846 3.524 531 2HG GLU 66 1HG GLU 66 -3.292 -13.711 2.452 532 H TYR 67 H TYR 67 0.326 -11.841 4.178 533 HA TYR 67 HA TYR 67 0.833 -11.155 6.887 534 1HB TYR 67 2HB TYR 67 2.323 -12.572 5.419 535 2HB TYR 67 1HB TYR 67 2.796 -11.095 4.586 536 HD1 TYR 67 1HD TYR 67 4.059 -9.360 5.777 537 HD2 TYR 67 2HD TYR 67 3.181 -13.099 7.592 538 HE1 TYR 67 1HE TYR 67 5.742 -8.909 7.490 539 HE2 TYR 67 2HE TYR 67 4.879 -12.666 9.319 540 HH TYR 67 HH TYR 67 6.116 -9.670 9.934 541 H ARG 68 H ARG 68 0.317 -9.180 7.573 542 HA ARG 68 HA ARG 68 1.160 -6.880 5.939 543 1HB ARG 68 2HB ARG 68 -1.356 -7.449 5.975 544 2HB ARG 68 1HB ARG 68 -1.327 -6.898 7.641 545 1HG ARG 68 2HG ARG 68 -0.071 -4.907 6.090 546 2HG ARG 68 1HG ARG 68 -1.551 -5.374 5.250 547 1HD ARG 68 2HD ARG 68 -1.308 -4.496 8.121 548 2HD ARG 68 1HD ARG 68 -1.994 -3.563 6.793 549 HE ARG 68 HE ARG 68 -3.634 -5.587 6.704 550 1HH1 ARG 68 1HH1 ARG 68 -2.252 -4.135 9.580 551 2HH1 ARG 68 2HH1 ARG 68 -3.609 -4.534 10.590 552 1HH2 ARG 68 1HH2 ARG 68 -5.404 -6.101 7.993 553 2HH2 ARG 68 2HH2 ARG 68 -5.435 -5.635 9.675 554 H TRP 69 H TRP 69 2.186 -8.415 8.378 555 HA TRP 69 HA TRP 69 2.563 -6.073 10.106 556 1HB TRP 69 2HB TRP 69 2.092 -8.902 11.097 557 2HB TRP 69 1HB TRP 69 2.412 -7.491 12.099 558 HD1 TRP 69 HD TRP 69 0.413 -5.627 12.241 559 HE1 TRP 69 1HE TRP 69 -2.137 -5.895 11.997 560 HE3 TRP 69 3HE TRP 69 0.300 -10.185 9.919 561 HZ2 TRP 69 2HZ TRP 69 -3.948 -7.792 10.958 562 HZ3 TRP 69 3HZ TRP 69 -1.883 -11.153 9.337 563 HH2 TRP 69 HH TRP 69 -3.963 -9.980 9.848 Start of MODEL 4 1 1H MET 1 1HT MET 1 -1.430 -10.087 21.825 2 2H MET 1 2HT MET 1 -2.077 -9.027 20.671 3 3H MET 1 3HT MET 1 -1.289 -8.410 22.041 4 HA MET 1 HA MET 1 0.793 -9.352 21.321 5 1HB MET 1 2HB MET 1 -0.105 -11.262 20.079 6 2HB MET 1 1HB MET 1 -0.816 -10.180 18.891 7 1HG MET 1 2HG MET 1 1.203 -11.167 18.017 8 2HG MET 1 1HG MET 1 1.424 -9.433 18.241 9 1HE MET 1 1HE MET 1 4.043 -9.661 18.043 10 2HE MET 1 2HE MET 1 3.855 -11.393 17.768 11 3HE MET 1 3HE MET 1 5.001 -10.812 18.976 12 H ASN 2 H ASN 2 1.915 -7.585 20.950 13 HA ASN 2 HA ASN 2 0.786 -5.375 19.480 14 1HB ASN 2 2HB ASN 2 2.144 -5.030 21.537 15 2HB ASN 2 1HB ASN 2 3.546 -5.680 20.692 16 1HD2 ASN 2 1HD2 ASN 2 1.453 -2.982 21.114 17 2HD2 ASN 2 2HD2 ASN 2 2.342 -1.862 20.139 18 H LYS 3 H LYS 3 1.067 -5.012 17.358 19 HA LYS 3 HA LYS 3 2.796 -6.791 15.868 20 1HB LYS 3 2HB LYS 3 1.841 -5.837 13.870 21 2HB LYS 3 1HB LYS 3 0.543 -6.166 15.005 22 1HG LYS 3 2HG LYS 3 0.410 -3.821 15.591 23 2HG LYS 3 1HG LYS 3 1.784 -3.457 14.543 24 1HD LYS 3 2HD LYS 3 -0.843 -4.614 13.604 25 2HD LYS 3 1HD LYS 3 -0.416 -2.904 13.529 26 1HE LYS 3 2HE LYS 3 1.087 -5.136 12.161 27 2HE LYS 3 1HE LYS 3 -0.090 -4.084 11.379 28 1HZ LYS 3 1HZ LYS 3 2.086 -3.260 10.912 29 2HZ LYS 3 2HZ LYS 3 2.519 -3.287 12.546 30 3HZ LYS 3 3HZ LYS 3 1.362 -2.181 11.998 31 H ASP 4 H ASP 4 4.758 -6.346 15.127 32 HA ASP 4 HA ASP 4 5.986 -3.819 15.728 33 1HB ASP 4 2HB ASP 4 6.974 -6.319 14.359 34 2HB ASP 4 1HB ASP 4 7.955 -4.862 14.469 35 H GLU 5 H GLU 5 5.792 -2.089 14.493 36 HA GLU 5 HA GLU 5 5.069 -2.449 11.686 37 1HB GLU 5 2HB GLU 5 4.573 0.009 11.752 38 2HB GLU 5 1HB GLU 5 3.575 -0.976 12.804 39 1HG GLU 5 2HG GLU 5 4.022 0.734 14.210 40 2HG GLU 5 1HG GLU 5 5.396 -0.301 14.587 41 H ALA 6 H ALA 6 6.278 -1.785 10.031 42 HA ALA 6 HA ALA 6 8.133 -1.305 8.840 43 1HB ALA 6 1HB ALA 6 7.987 0.921 9.809 44 2HB ALA 6 2HB ALA 6 9.670 0.435 9.603 45 3HB ALA 6 3HB ALA 6 8.929 0.393 11.203 46 H GLY 7 H GLY 7 10.200 -2.101 8.485 47 1HA GLY 7 2HA GLY 7 12.250 -3.082 9.363 48 2HA GLY 7 1HA GLY 7 11.288 -3.751 10.675 49 H GLY 8 H GLY 8 11.932 -3.937 7.220 50 1HA GLY 8 2HA GLY 8 12.181 -5.950 6.022 51 2HA GLY 8 1HA GLY 8 11.364 -6.804 7.325 52 H ASN 9 H ASN 9 8.981 -6.123 7.600 53 HA ASN 9 HA ASN 9 7.641 -6.754 5.190 54 1HB ASN 9 2HB ASN 9 5.570 -6.418 6.433 55 2HB ASN 9 1HB ASN 9 6.722 -7.299 7.426 56 1HD2 ASN 9 1HD2 ASN 9 4.897 -4.394 7.055 57 2HD2 ASN 9 2HD2 ASN 9 5.311 -3.677 8.580 58 H TRP 10 H TRP 10 8.235 -3.762 6.890 59 HA TRP 10 HA TRP 10 6.667 -2.024 5.399 60 1HB TRP 10 2HB TRP 10 7.704 -1.277 7.411 61 2HB TRP 10 1HB TRP 10 9.307 -1.674 6.812 62 HD1 TRP 10 HD TRP 10 6.483 0.669 5.493 63 HE1 TRP 10 1HE TRP 10 7.576 2.921 4.903 64 HE3 TRP 10 3HE TRP 10 11.312 -0.415 6.770 65 HZ2 TRP 10 2HZ TRP 10 10.145 4.083 4.975 66 HZ3 TRP 10 3HZ TRP 10 13.025 1.327 6.486 67 HH2 TRP 10 HH TRP 10 12.449 3.528 5.606 68 H LYS 11 H LYS 11 10.031 -3.049 4.865 69 HA LYS 11 HA LYS 11 10.419 -1.469 2.557 70 1HB LYS 11 2HB LYS 11 12.319 -2.220 3.822 71 2HB LYS 11 1HB LYS 11 11.869 -3.905 3.598 72 1HG LYS 11 2HG LYS 11 12.374 -3.774 1.247 73 2HG LYS 11 1HG LYS 11 12.700 -2.045 1.381 74 1HD LYS 11 2HD LYS 11 14.620 -2.437 2.747 75 2HD LYS 11 1HD LYS 11 14.222 -4.149 2.911 76 1HE LYS 11 2HE LYS 11 14.926 -2.782 0.316 77 2HE LYS 11 1HE LYS 11 16.054 -3.710 1.302 78 1HZ LYS 11 1HZ LYS 11 14.677 -5.666 0.996 79 2HZ LYS 11 2HZ LYS 11 15.149 -5.035 -0.507 80 3HZ LYS 11 3HZ LYS 11 13.577 -4.779 0.061 81 H GLN 12 H GLN 12 9.406 -4.847 2.992 82 HA GLN 12 HA GLN 12 9.587 -5.512 0.239 83 1HB GLN 12 2HB GLN 12 9.604 -7.200 2.054 84 2HB GLN 12 1HB GLN 12 7.911 -6.847 2.372 85 1HG GLN 12 2HG GLN 12 7.363 -7.561 0.075 86 2HG GLN 12 1HG GLN 12 9.055 -7.988 -0.168 87 1HE2 GLN 12 1HE2 GLN 12 6.709 -9.676 -0.314 88 2HE2 GLN 12 2HE2 GLN 12 6.926 -10.929 0.863 89 H PHE 13 H PHE 13 6.845 -4.510 2.284 90 HA PHE 13 HA PHE 13 5.023 -4.881 0.084 91 1HB PHE 13 2HB PHE 13 4.626 -3.948 2.913 92 2HB PHE 13 1HB PHE 13 3.315 -3.964 1.721 93 HD1 PHE 13 1HD PHE 13 2.340 -6.023 0.983 94 HD2 PHE 13 2HD PHE 13 5.733 -5.984 3.533 95 HE1 PHE 13 1HE PHE 13 2.129 -8.429 1.293 96 HE2 PHE 13 2HE PHE 13 5.522 -8.382 3.866 97 HZ PHE 13 HZ PHE 13 3.709 -9.639 2.755 98 H LYS 14 H LYS 14 6.965 -2.352 1.186 99 HA LYS 14 HA LYS 14 5.586 -0.194 -0.006 100 1HB LYS 14 2HB LYS 14 8.542 -0.735 0.282 101 2HB LYS 14 1HB LYS 14 7.951 0.683 -0.569 102 1HG LYS 14 2HG LYS 14 6.568 0.998 1.666 103 2HG LYS 14 1HG LYS 14 7.892 0.038 2.323 104 1HD LYS 14 2HD LYS 14 8.203 2.594 0.752 105 2HD LYS 14 1HD LYS 14 8.295 2.460 2.507 106 1HE LYS 14 2HE LYS 14 10.228 0.980 2.292 107 2HE LYS 14 1HE LYS 14 10.130 1.104 0.536 108 1HZ LYS 14 1HZ LYS 14 10.541 3.425 2.344 109 2HZ LYS 14 2HZ LYS 14 10.627 3.428 0.654 110 3HZ LYS 14 3HZ LYS 14 11.799 2.600 1.561 111 H GLY 15 H GLY 15 7.762 -2.633 -1.336 112 1HA GLY 15 2HA GLY 15 7.498 -1.748 -4.040 113 2HA GLY 15 1HA GLY 15 8.160 -3.286 -3.505 114 H LYS 16 H LYS 16 5.989 -4.320 -2.118 115 HA LYS 16 HA LYS 16 4.567 -5.547 -4.184 116 1HB LYS 16 2HB LYS 16 4.946 -6.443 -1.872 117 2HB LYS 16 1HB LYS 16 3.710 -5.336 -1.295 118 1HG LYS 16 2HG LYS 16 2.802 -7.564 -1.594 119 2HG LYS 16 1HG LYS 16 2.057 -6.430 -2.721 120 1HD LYS 16 2HD LYS 16 3.512 -7.220 -4.501 121 2HD LYS 16 1HD LYS 16 4.313 -8.319 -3.377 122 1HE LYS 16 2HE LYS 16 2.240 -9.541 -3.058 123 2HE LYS 16 1HE LYS 16 1.386 -8.411 -4.106 124 1HZ LYS 16 1HZ LYS 16 3.613 -10.193 -4.938 125 2HZ LYS 16 2HZ LYS 16 2.775 -9.119 -5.946 126 3HZ LYS 16 3HZ LYS 16 1.969 -10.448 -5.268 127 H VAL 17 H VAL 17 3.461 -3.065 -1.861 128 HA VAL 17 HA VAL 17 0.905 -2.724 -2.978 129 HB VAL 17 HB VAL 17 2.601 -0.769 -1.413 130 1HG1 VAL 17 1HG1 VAL 17 0.487 0.458 -1.004 131 2HG1 VAL 17 2HG1 VAL 17 -0.306 -0.571 -2.193 132 3HG1 VAL 17 3HG1 VAL 17 0.995 0.508 -2.693 133 1HG2 VAL 17 1HG2 VAL 17 0.280 -2.517 -0.610 134 2HG2 VAL 17 2HG2 VAL 17 1.119 -1.373 0.439 135 3HG2 VAL 17 3HG2 VAL 17 1.973 -2.782 -0.192 136 H LYS 18 H LYS 18 4.005 -1.189 -3.820 137 HA LYS 18 HA LYS 18 2.805 0.699 -5.579 138 1HB LYS 18 2HB LYS 18 5.638 -0.274 -5.337 139 2HB LYS 18 1HB LYS 18 5.139 0.943 -6.505 140 1HG LYS 18 2HG LYS 18 4.276 2.305 -4.595 141 2HG LYS 18 1HG LYS 18 5.017 1.130 -3.507 142 1HD LYS 18 2HD LYS 18 6.546 2.941 -3.754 143 2HD LYS 18 1HD LYS 18 7.199 1.575 -4.661 144 1HE LYS 18 2HE LYS 18 6.154 2.561 -6.714 145 2HE LYS 18 1HE LYS 18 5.758 3.985 -5.754 146 1HZ LYS 18 1HZ LYS 18 8.180 4.178 -5.267 147 2HZ LYS 18 2HZ LYS 18 7.776 4.412 -6.896 148 3HZ LYS 18 3HZ LYS 18 8.459 2.942 -6.400 149 H GLU 19 H GLU 19 3.464 -2.639 -5.941 150 HA GLU 19 HA GLU 19 3.411 -2.521 -8.834 151 1HB GLU 19 2HB GLU 19 3.289 -4.840 -6.903 152 2HB GLU 19 1HB GLU 19 3.264 -5.025 -8.653 153 1HG GLU 19 2HG GLU 19 5.481 -3.890 -6.970 154 2HG GLU 19 1HG GLU 19 5.490 -5.401 -7.878 155 H GLN 20 H GLN 20 1.217 -3.352 -6.210 156 HA GLN 20 HA GLN 20 -0.927 -4.084 -7.961 157 1HB GLN 20 2HB GLN 20 -1.343 -5.208 -6.076 158 2HB GLN 20 1HB GLN 20 -0.327 -4.149 -5.126 159 1HG GLN 20 2HG GLN 20 -2.500 -4.136 -4.202 160 2HG GLN 20 1HG GLN 20 -2.205 -2.573 -4.941 161 1HE2 GLN 20 1HE2 GLN 20 -4.337 -2.117 -5.017 162 2HE2 GLN 20 2HE2 GLN 20 -5.438 -2.850 -6.116 163 H TRP 21 H TRP 21 -0.240 -1.227 -5.934 164 HA TRP 21 HA TRP 21 -2.341 0.209 -7.408 165 1HB TRP 21 2HB TRP 21 -0.959 0.833 -4.793 166 2HB TRP 21 1HB TRP 21 -1.897 2.034 -5.653 167 HD1 TRP 21 HD TRP 21 -4.560 1.541 -5.925 168 HE1 TRP 21 1HE TRP 21 -6.161 0.202 -4.424 169 HE3 TRP 21 3HE TRP 21 -1.128 -1.121 -3.245 170 HZ2 TRP 21 2HZ TRP 21 -5.992 -1.730 -2.383 171 HZ3 TRP 21 3HZ TRP 21 -1.930 -2.699 -1.545 172 HH2 TRP 21 HH TRP 21 -4.312 -2.997 -1.121 173 H GLY 22 H GLY 22 0.746 1.353 -6.033 174 1HA GLY 22 2HA GLY 22 2.671 1.904 -7.301 175 2HA GLY 22 1HA GLY 22 1.688 1.885 -8.755 176 H LYS 23 H LYS 23 -0.360 3.563 -7.327 177 HA LYS 23 HA LYS 23 0.625 6.103 -8.143 178 1HB LYS 23 2HB LYS 23 -1.874 4.987 -7.535 179 2HB LYS 23 1HB LYS 23 -1.644 6.268 -6.353 180 1HG LYS 23 2HG LYS 23 -1.318 6.656 -9.312 181 2HG LYS 23 1HG LYS 23 -2.826 6.944 -8.444 182 1HD LYS 23 2HD LYS 23 -1.779 8.651 -7.099 183 2HD LYS 23 1HD LYS 23 -0.202 8.292 -7.801 184 1HE LYS 23 2HE LYS 23 -2.586 9.320 -9.341 185 2HE LYS 23 1HE LYS 23 -1.259 10.320 -8.750 186 1HZ LYS 23 1HZ LYS 23 0.270 9.044 -10.114 187 2HZ LYS 23 2HZ LYS 23 -0.955 9.724 -11.071 188 3HZ LYS 23 3HZ LYS 23 -1.002 8.075 -10.683 189 H LEU 24 H LEU 24 0.664 4.326 -5.212 190 HA LEU 24 HA LEU 24 1.130 6.590 -3.499 191 1HB LEU 24 2HB LEU 24 1.358 3.627 -2.989 192 2HB LEU 24 1HB LEU 24 1.511 4.869 -1.758 193 HG LEU 24 HG LEU 24 -0.959 4.221 -3.365 194 1HD1 LEU 24 1HD1 LEU 24 -1.888 3.611 -1.196 195 2HD1 LEU 24 2HD1 LEU 24 -0.330 3.942 -0.437 196 3HD1 LEU 24 3HD1 LEU 24 -0.483 2.625 -1.601 197 1HD2 LEU 24 1HD2 LEU 24 -0.760 6.623 -2.972 198 2HD2 LEU 24 2HD2 LEU 24 -0.548 6.325 -1.250 199 3HD2 LEU 24 3HD2 LEU 24 -2.073 5.917 -2.035 200 H THR 25 H THR 25 3.030 7.298 -2.715 201 HA THR 25 HA THR 25 5.417 6.240 -4.065 202 HB THR 25 HB THR 25 6.355 8.519 -3.739 203 HG1 THR 25 1HG THR 25 3.901 8.836 -2.410 204 1HG2 THR 25 1HG2 THR 25 3.714 8.367 -5.187 205 2HG2 THR 25 2HG2 THR 25 5.288 7.903 -5.834 206 3HG2 THR 25 3HG2 THR 25 4.955 9.593 -5.452 207 H ASP 26 H ASP 26 7.428 7.327 -2.637 208 HA ASP 26 HA ASP 26 7.685 5.422 -0.603 209 1HB ASP 26 2HB ASP 26 9.564 6.521 -1.862 210 2HB ASP 26 1HB ASP 26 9.331 7.939 -0.844 211 H ASP 27 H ASP 27 6.951 8.890 -0.404 212 HA ASP 27 HA ASP 27 6.868 9.176 2.361 213 1HB ASP 27 2HB ASP 27 6.619 11.114 0.957 214 2HB ASP 27 1HB ASP 27 5.141 10.477 0.250 215 H ASP 28 H ASP 28 4.268 8.203 0.155 216 HA ASP 28 HA ASP 28 2.264 7.888 2.094 217 1HB ASP 28 2HB ASP 28 2.594 6.255 -0.425 218 2HB ASP 28 1HB ASP 28 1.112 6.512 0.463 219 H MET 29 H MET 29 4.536 5.616 0.680 220 HA MET 29 HA MET 29 3.539 3.308 1.907 221 1HB MET 29 2HB MET 29 6.352 3.839 0.963 222 2HB MET 29 1HB MET 29 5.615 2.275 1.236 223 1HG MET 29 2HG MET 29 4.305 4.084 -0.695 224 2HG MET 29 1HG MET 29 5.823 3.327 -1.170 225 1HE MET 29 1HE MET 29 2.107 2.802 -0.152 226 2HE MET 29 2HE MET 29 2.903 1.858 1.112 227 3HE MET 29 3HE MET 29 1.956 1.041 -0.125 228 H THR 30 H THR 30 5.964 5.644 2.980 229 HA THR 30 HA THR 30 6.864 4.030 5.155 230 HB THR 30 HB THR 30 8.229 5.875 4.090 231 HG1 THR 30 1HG THR 30 7.868 5.771 6.917 232 1HG2 THR 30 1HG2 THR 30 6.525 7.635 5.857 233 2HG2 THR 30 2HG2 THR 30 6.530 7.641 4.092 234 3HG2 THR 30 3HG2 THR 30 7.970 8.136 4.980 235 H ILE 31 H ILE 31 4.212 6.226 4.715 236 HA ILE 31 HA ILE 31 3.713 6.601 7.529 237 HB ILE 31 HB ILE 31 1.586 6.939 5.437 238 1HG1 ILE 31 2HG1 ILE 31 3.814 8.934 5.973 239 2HG1 ILE 31 1HG1 ILE 31 3.588 8.010 4.496 240 1HG2 ILE 31 1HG2 ILE 31 2.262 8.467 7.945 241 2HG2 ILE 31 2HG2 ILE 31 1.005 7.241 7.783 242 3HG2 ILE 31 3HG2 ILE 31 0.875 8.761 6.897 243 1HD1 ILE 31 1HD1 ILE 31 1.469 9.136 4.106 244 2HD1 ILE 31 2HD1 ILE 31 2.800 10.283 4.239 245 3HD1 ILE 31 3HD1 ILE 31 1.686 10.065 5.589 246 H ILE 32 H ILE 32 2.725 4.393 5.008 247 HA ILE 32 HA ILE 32 0.516 3.315 6.514 248 HB ILE 32 HB ILE 32 1.715 2.172 3.989 249 1HG1 ILE 32 2HG1 ILE 32 -0.516 4.200 4.251 250 2HG1 ILE 32 1HG1 ILE 32 1.113 4.562 3.693 251 1HG2 ILE 32 1HG2 ILE 32 -1.006 1.926 5.266 252 2HG2 ILE 32 2HG2 ILE 32 0.203 0.652 5.099 253 3HG2 ILE 32 3HG2 ILE 32 -0.595 1.311 3.667 254 1HD1 ILE 32 1HD1 ILE 32 -0.841 2.715 2.345 255 2HD1 ILE 32 2HD1 ILE 32 0.791 3.079 1.786 256 3HD1 ILE 32 3HD1 ILE 32 -0.429 4.351 1.833 257 H GLU 33 H GLU 33 3.468 1.839 5.154 258 HA GLU 33 HA GLU 33 4.568 -0.078 5.508 259 1HB GLU 33 2HB GLU 33 5.488 -0.450 7.601 260 2HB GLU 33 1HB GLU 33 5.092 1.255 7.640 261 1HG GLU 33 2HG GLU 33 4.429 0.583 9.719 262 2HG GLU 33 1HG GLU 33 2.919 0.443 8.826 263 H GLY 34 H GLY 34 1.667 -0.182 7.557 264 1HA GLY 34 2HA GLY 34 0.627 -2.429 6.147 265 2HA GLY 34 1HA GLY 34 1.302 -2.902 7.702 266 H LYS 35 H LYS 35 0.009 0.272 7.472 267 HA LYS 35 HA LYS 35 -2.080 -0.394 9.332 268 1HB LYS 35 2HB LYS 35 -1.333 2.201 7.990 269 2HB LYS 35 1HB LYS 35 -2.684 2.041 9.100 270 1HG LYS 35 2HG LYS 35 -0.990 1.174 10.787 271 2HG LYS 35 1HG LYS 35 0.247 1.782 9.679 272 1HD LYS 35 2HD LYS 35 -0.733 4.013 9.790 273 2HD LYS 35 1HD LYS 35 -2.001 3.413 10.859 274 1HE LYS 35 2HE LYS 35 -0.189 2.749 12.464 275 2HE LYS 35 1HE LYS 35 0.945 3.628 11.433 276 1HZ LYS 35 1HZ LYS 35 -0.489 5.614 11.742 277 2HZ LYS 35 2HZ LYS 35 0.233 5.072 13.178 278 3HZ LYS 35 3HZ LYS 35 -1.403 4.741 12.870 279 H ARG 36 H ARG 36 -4.126 -0.788 8.919 280 HA ARG 36 HA ARG 36 -5.086 -1.281 6.328 281 1HB ARG 36 2HB ARG 36 -5.930 -1.707 8.964 282 2HB ARG 36 1HB ARG 36 -7.199 -0.742 8.225 283 1HG ARG 36 2HG ARG 36 -6.116 -3.318 7.122 284 2HG ARG 36 1HG ARG 36 -7.600 -3.150 8.055 285 1HD ARG 36 2HD ARG 36 -8.440 -1.586 6.306 286 2HD ARG 36 1HD ARG 36 -7.008 -1.973 5.350 287 HE ARG 36 HE ARG 36 -7.760 -4.341 5.432 288 1HH1 ARG 36 1HH1 ARG 36 -10.129 -1.758 5.797 289 2HH1 ARG 36 2HH1 ARG 36 -11.465 -2.775 5.373 290 1HH2 ARG 36 1HH2 ARG 36 -9.505 -5.663 4.904 291 2HH2 ARG 36 2HH2 ARG 36 -11.125 -4.999 4.873 292 H ASP 37 H ASP 37 -6.098 1.215 8.636 293 HA ASP 37 HA ASP 37 -7.752 2.687 6.974 294 1HB ASP 37 2HB ASP 37 -7.828 3.092 9.315 295 2HB ASP 37 1HB ASP 37 -6.110 3.475 9.379 296 H GLN 38 H GLN 38 -4.274 2.789 7.307 297 HA GLN 38 HA GLN 38 -3.946 5.335 6.090 298 1HB GLN 38 2HB GLN 38 -2.124 3.160 6.953 299 2HB GLN 38 1HB GLN 38 -1.515 4.287 5.749 300 1HG GLN 38 2HG GLN 38 -2.676 5.080 8.408 301 2HG GLN 38 1HG GLN 38 -0.954 4.930 8.060 302 1HE2 GLN 38 1HE2 GLN 38 -2.552 7.257 8.873 303 2HE2 GLN 38 2HE2 GLN 38 -2.285 8.457 7.656 304 H LEU 39 H LEU 39 -3.725 2.006 4.830 305 HA LEU 39 HA LEU 39 -3.028 2.878 2.213 306 1HB LEU 39 2HB LEU 39 -2.534 0.618 2.820 307 2HB LEU 39 1HB LEU 39 -4.216 0.287 3.184 308 HG LEU 39 HG LEU 39 -4.811 0.339 0.853 309 1HD1 LEU 39 1HD1 LEU 39 -1.955 1.117 0.278 310 2HD1 LEU 39 2HD1 LEU 39 -3.362 2.170 0.114 311 3HD1 LEU 39 3HD1 LEU 39 -3.197 0.748 -0.923 312 1HD2 LEU 39 1HD2 LEU 39 -3.373 -1.447 -0.037 313 2HD2 LEU 39 2HD2 LEU 39 -3.912 -1.749 1.621 314 3HD2 LEU 39 3HD2 LEU 39 -2.267 -1.186 1.312 315 H VAL 40 H VAL 40 -6.123 2.005 3.740 316 HA VAL 40 HA VAL 40 -7.783 2.402 1.536 317 HB VAL 40 HB VAL 40 -8.366 3.035 4.439 318 1HG1 VAL 40 1HG1 VAL 40 -10.280 2.691 2.128 319 2HG1 VAL 40 2HG1 VAL 40 -9.926 4.204 2.963 320 3HG1 VAL 40 3HG1 VAL 40 -10.732 2.890 3.820 321 1HG2 VAL 40 1HG2 VAL 40 -9.019 0.610 2.776 322 2HG2 VAL 40 2HG2 VAL 40 -9.467 0.866 4.462 323 3HG2 VAL 40 3HG2 VAL 40 -7.769 0.700 4.018 324 H GLY 41 H GLY 41 -6.791 4.735 4.024 325 1HA GLY 41 2HA GLY 41 -7.935 7.028 2.906 326 2HA GLY 41 1HA GLY 41 -6.514 7.015 3.941 327 H LYS 42 H LYS 42 -4.649 5.745 2.462 328 HA LYS 42 HA LYS 42 -3.748 7.763 0.763 329 1HB LYS 42 2HB LYS 42 -2.888 4.980 1.347 330 2HB LYS 42 1HB LYS 42 -2.181 5.779 -0.044 331 1HG LYS 42 2HG LYS 42 -2.014 6.581 2.853 332 2HG LYS 42 1HG LYS 42 -0.696 6.141 1.755 333 1HD LYS 42 2HD LYS 42 -1.117 8.162 0.446 334 2HD LYS 42 1HD LYS 42 -2.423 8.608 1.543 335 1HE LYS 42 2HE LYS 42 -0.942 8.978 3.329 336 2HE LYS 42 1HE LYS 42 0.381 8.152 2.504 337 1HZ LYS 42 1HZ LYS 42 0.460 9.920 0.883 338 2HZ LYS 42 2HZ LYS 42 0.630 10.570 2.441 339 3HZ LYS 42 3HZ LYS 42 -0.843 10.712 1.621 340 H ILE 43 H ILE 43 -5.293 4.665 -0.067 341 HA ILE 43 HA ILE 43 -5.195 4.906 -2.854 342 HB ILE 43 HB ILE 43 -7.423 3.746 -1.165 343 1HG1 ILE 43 2HG1 ILE 43 -5.177 2.343 -2.620 344 2HG1 ILE 43 1HG1 ILE 43 -5.138 2.735 -0.903 345 1HG2 ILE 43 1HG2 ILE 43 -6.841 3.402 -4.101 346 2HG2 ILE 43 2HG2 ILE 43 -8.219 4.253 -3.404 347 3HG2 ILE 43 3HG2 ILE 43 -8.056 2.509 -3.189 348 1HD1 ILE 43 1HD1 ILE 43 -7.130 1.353 -0.559 349 2HD1 ILE 43 2HD1 ILE 43 -5.784 0.433 -1.234 350 3HD1 ILE 43 3HD1 ILE 43 -7.118 0.934 -2.273 351 H GLN 44 H GLN 44 -7.632 6.119 -0.582 352 HA GLN 44 HA GLN 44 -9.384 7.228 -2.479 353 1HB GLN 44 2HB GLN 44 -8.921 8.101 0.380 354 2HB GLN 44 1HB GLN 44 -10.319 8.510 -0.605 355 1HG GLN 44 2HG GLN 44 -10.975 6.176 -0.680 356 2HG GLN 44 1HG GLN 44 -9.534 5.729 0.229 357 1HE2 GLN 44 1HE2 GLN 44 -9.426 6.161 2.399 358 2HE2 GLN 44 2HE2 GLN 44 -10.801 6.614 3.347 359 H GLU 45 H GLU 45 -6.489 8.479 -0.972 360 HA GLU 45 HA GLU 45 -7.054 11.192 -1.823 361 1HB GLU 45 2HB GLU 45 -4.619 10.073 -0.428 362 2HB GLU 45 1HB GLU 45 -4.964 11.777 -0.684 363 1HG GLU 45 2HG GLU 45 -6.999 11.532 0.684 364 2HG GLU 45 1HG GLU 45 -6.552 9.857 0.998 365 H ARG 46 H ARG 46 -4.609 8.703 -2.548 366 HA ARG 46 HA ARG 46 -3.093 10.367 -4.266 367 1HB ARG 46 2HB ARG 46 -2.798 7.829 -3.162 368 2HB ARG 46 1HB ARG 46 -2.857 7.538 -4.895 369 1HG ARG 46 2HG ARG 46 -0.581 7.825 -4.275 370 2HG ARG 46 1HG ARG 46 -1.080 9.260 -5.171 371 1HD ARG 46 2HD ARG 46 -1.366 10.490 -3.120 372 2HD ARG 46 1HD ARG 46 -1.025 9.056 -2.168 373 HE ARG 46 HE ARG 46 1.221 9.347 -2.528 374 1HH1 ARG 46 1HH1 ARG 46 -0.557 11.496 -4.668 375 2HH1 ARG 46 2HH1 ARG 46 0.848 12.433 -5.091 376 1HH2 ARG 46 1HH2 ARG 46 3.053 10.565 -3.105 377 2HH2 ARG 46 2HH2 ARG 46 2.896 11.898 -4.211 378 H TYR 47 H TYR 47 -5.493 7.829 -4.959 379 HA TYR 47 HA TYR 47 -5.425 8.409 -7.796 380 1HB TYR 47 2HB TYR 47 -7.197 6.637 -6.115 381 2HB TYR 47 1HB TYR 47 -7.397 6.830 -7.850 382 HD1 TYR 47 1HD TYR 47 -5.680 5.992 -9.392 383 HD2 TYR 47 2HD TYR 47 -5.460 5.255 -5.207 384 HE1 TYR 47 1HE TYR 47 -4.081 4.178 -9.797 385 HE2 TYR 47 2HE TYR 47 -3.868 3.454 -5.602 386 HH TYR 47 HH TYR 47 -3.397 1.851 -7.685 387 H GLY 48 H GLY 48 -7.576 8.882 -5.083 388 1HA GLY 48 2HA GLY 48 -9.068 10.765 -4.908 389 2HA GLY 48 1HA GLY 48 -9.135 10.817 -6.667 390 H TYR 49 H TYR 49 -9.372 7.950 -4.662 391 HA TYR 49 HA TYR 49 -11.877 7.235 -5.955 392 1HB TYR 49 2HB TYR 49 -9.935 5.767 -4.191 393 2HB TYR 49 1HB TYR 49 -11.535 5.119 -4.505 394 HD1 TYR 49 1HD TYR 49 -11.943 5.606 -7.341 395 HD2 TYR 49 2HD TYR 49 -8.413 4.460 -5.267 396 HE1 TYR 49 1HE TYR 49 -11.126 4.471 -9.368 397 HE2 TYR 49 2HE TYR 49 -7.585 3.333 -7.287 398 HH TYR 49 HH TYR 49 -8.506 2.315 -9.314 399 H GLN 50 H GLN 50 -13.535 6.154 -4.570 400 HA GLN 50 HA GLN 50 -14.012 7.603 -2.082 401 1HB GLN 50 2HB GLN 50 -15.754 5.573 -3.507 402 2HB GLN 50 1HB GLN 50 -16.232 6.581 -2.148 403 1HG GLN 50 2HG GLN 50 -15.485 7.582 -4.887 404 2HG GLN 50 1HG GLN 50 -17.126 7.391 -4.273 405 1HE2 GLN 50 1HE2 GLN 50 -17.893 8.809 -2.720 406 2HE2 GLN 50 2HE2 GLN 50 -17.121 10.318 -2.391 407 H LYS 51 H LYS 51 -14.622 6.301 -0.141 408 HA LYS 51 HA LYS 51 -12.689 4.399 0.508 409 1HB LYS 51 2HB LYS 51 -14.053 5.754 2.126 410 2HB LYS 51 1HB LYS 51 -15.396 4.662 1.820 411 1HG LYS 51 2HG LYS 51 -14.044 2.786 2.648 412 2HG LYS 51 1HG LYS 51 -12.725 3.909 2.991 413 1HD LYS 51 2HD LYS 51 -13.885 3.543 5.037 414 2HD LYS 51 1HD LYS 51 -14.313 5.162 4.478 415 1HE LYS 51 2HE LYS 51 -16.345 4.221 5.165 416 2HE LYS 51 1HE LYS 51 -16.353 4.064 3.409 417 1HZ LYS 51 1HZ LYS 51 -15.637 1.752 3.656 418 2HZ LYS 51 2HZ LYS 51 -17.098 2.033 4.466 419 3HZ LYS 51 3HZ LYS 51 -15.658 1.920 5.343 420 H ASP 52 H ASP 52 -15.878 4.039 -0.835 421 HA ASP 52 HA ASP 52 -16.339 1.316 -0.507 422 1HB ASP 52 2HB ASP 52 -17.996 2.911 -1.388 423 2HB ASP 52 1HB ASP 52 -17.044 3.096 -2.851 424 H GLN 53 H GLN 53 -14.868 3.002 -3.244 425 HA GLN 53 HA GLN 53 -14.144 0.644 -4.642 426 1HB GLN 53 2HB GLN 53 -14.530 2.838 -5.718 427 2HB GLN 53 1HB GLN 53 -13.095 3.466 -4.925 428 1HG GLN 53 2HG GLN 53 -12.604 2.920 -7.221 429 2HG GLN 53 1HG GLN 53 -11.725 1.832 -6.146 430 1HE2 GLN 53 1HE2 GLN 53 -12.275 -0.332 -6.078 431 2HE2 GLN 53 2HE2 GLN 53 -13.293 -1.067 -7.268 432 H ALA 54 H ALA 54 -12.546 2.730 -2.332 433 HA ALA 54 HA ALA 54 -9.911 1.792 -2.717 434 1HB ALA 54 1HB ALA 54 -11.149 2.994 -0.244 435 2HB ALA 54 2HB ALA 54 -10.413 3.891 -1.573 436 3HB ALA 54 3HB ALA 54 -9.423 2.833 -0.569 437 H GLU 55 H GLU 55 -12.444 0.847 -0.381 438 HA GLU 55 HA GLU 55 -10.808 -1.062 0.927 439 1HB GLU 55 2HB GLU 55 -13.812 -0.800 0.843 440 2HB GLU 55 1HB GLU 55 -12.935 -1.900 1.901 441 1HG GLU 55 2HG GLU 55 -11.790 0.029 2.914 442 2HG GLU 55 1HG GLU 55 -12.747 1.103 1.897 443 H LYS 56 H LYS 56 -12.869 -1.233 -1.903 444 HA LYS 56 HA LYS 56 -12.950 -4.018 -2.207 445 1HB LYS 56 2HB LYS 56 -12.896 -1.772 -4.215 446 2HB LYS 56 1HB LYS 56 -12.986 -3.456 -4.713 447 1HG LYS 56 2HG LYS 56 -15.072 -3.733 -3.528 448 2HG LYS 56 1HG LYS 56 -14.968 -2.083 -2.912 449 1HD LYS 56 2HD LYS 56 -15.241 -1.165 -5.090 450 2HD LYS 56 1HD LYS 56 -15.036 -2.745 -5.847 451 1HE LYS 56 2HE LYS 56 -17.390 -2.025 -5.793 452 2HE LYS 56 1HE LYS 56 -17.117 -3.518 -4.898 453 1HZ LYS 56 1HZ LYS 56 -17.095 -2.213 -2.843 454 2HZ LYS 56 2HZ LYS 56 -18.563 -2.045 -3.674 455 3HZ LYS 56 3HZ LYS 56 -17.417 -0.801 -3.730 456 H GLU 57 H GLU 57 -10.564 -1.668 -3.385 457 HA GLU 57 HA GLU 57 -8.756 -3.550 -4.452 458 1HB GLU 57 2HB GLU 57 -8.362 -0.737 -3.427 459 2HB GLU 57 1HB GLU 57 -7.080 -1.668 -4.186 460 1HG GLU 57 2HG GLU 57 -9.690 -0.923 -5.488 461 2HG GLU 57 1HG GLU 57 -8.151 -0.100 -5.730 462 H VAL 58 H VAL 58 -9.045 -2.066 -1.250 463 HA VAL 58 HA VAL 58 -6.670 -3.068 -0.153 464 HB VAL 58 HB VAL 58 -9.265 -2.371 1.231 465 1HG1 VAL 58 1HG1 VAL 58 -7.978 -2.346 3.311 466 2HG1 VAL 58 2HG1 VAL 58 -6.562 -2.943 2.444 467 3HG1 VAL 58 3HG1 VAL 58 -7.999 -3.956 2.591 468 1HG2 VAL 58 1HG2 VAL 58 -6.660 -0.896 0.905 469 2HG2 VAL 58 2HG2 VAL 58 -7.991 -0.375 1.937 470 3HG2 VAL 58 3HG2 VAL 58 -8.215 -0.469 0.188 471 H VAL 59 H VAL 59 -9.982 -4.376 0.244 472 HA VAL 59 HA VAL 59 -9.258 -6.540 1.829 473 HB VAL 59 HB VAL 59 -11.606 -6.287 -0.056 474 1HG1 VAL 59 1HG1 VAL 59 -11.165 -8.263 2.185 475 2HG1 VAL 59 2HG1 VAL 59 -11.197 -8.640 0.462 476 3HG1 VAL 59 3HG1 VAL 59 -12.657 -8.063 1.267 477 1HG2 VAL 59 1HG2 VAL 59 -12.836 -5.762 2.026 478 2HG2 VAL 59 2HG2 VAL 59 -11.586 -4.577 1.645 479 3HG2 VAL 59 3HG2 VAL 59 -11.305 -5.783 2.902 480 H ASP 60 H ASP 60 -9.428 -6.323 -1.713 481 HA ASP 60 HA ASP 60 -9.017 -9.087 -2.171 482 1HB ASP 60 2HB ASP 60 -9.804 -7.410 -3.896 483 2HB ASP 60 1HB ASP 60 -8.133 -6.865 -4.018 484 H TRP 61 H TRP 61 -6.695 -6.384 -2.431 485 HA TRP 61 HA TRP 61 -4.397 -7.949 -2.757 486 1HB TRP 61 2HB TRP 61 -4.421 -5.557 -3.227 487 2HB TRP 61 1HB TRP 61 -4.704 -5.198 -1.528 488 HD1 TRP 61 HD TRP 61 -1.950 -6.267 -3.946 489 HE1 TRP 61 1HE TRP 61 0.329 -5.962 -2.798 490 HE3 TRP 61 3HE TRP 61 -3.559 -5.145 0.772 491 HZ2 TRP 61 2HZ TRP 61 1.317 -5.334 -0.236 492 HZ3 TRP 61 3HZ TRP 61 -1.882 -4.701 2.515 493 HH2 TRP 61 HH TRP 61 0.509 -4.795 2.020 494 H GLU 62 H GLU 62 -6.044 -6.839 0.109 495 HA GLU 62 HA GLU 62 -4.126 -7.426 2.048 496 1HB GLU 62 2HB GLU 62 -6.033 -6.045 2.537 497 2HB GLU 62 1HB GLU 62 -7.141 -7.357 2.171 498 1HG GLU 62 2HG GLU 62 -6.566 -8.520 4.124 499 2HG GLU 62 1HG GLU 62 -5.157 -7.501 4.407 500 H THR 63 H THR 63 -6.760 -9.425 0.753 501 HA THR 63 HA THR 63 -6.140 -11.634 2.461 502 HB THR 63 HB THR 63 -8.402 -11.087 1.410 503 HG1 THR 63 1HG THR 63 -8.267 -13.010 2.477 504 1HG2 THR 63 1HG2 THR 63 -7.689 -10.842 -0.895 505 2HG2 THR 63 2HG2 THR 63 -8.870 -12.144 -0.753 506 3HG2 THR 63 3HG2 THR 63 -7.156 -12.523 -0.925 507 H ARG 64 H ARG 64 -4.923 -10.494 -0.537 508 HA ARG 64 HA ARG 64 -3.931 -12.954 -1.578 509 1HB ARG 64 2HB ARG 64 -2.841 -10.166 -1.985 510 2HB ARG 64 1HB ARG 64 -2.502 -11.562 -2.992 511 1HG ARG 64 2HG ARG 64 -5.154 -10.178 -2.685 512 2HG ARG 64 1HG ARG 64 -4.065 -10.072 -4.068 513 1HD ARG 64 2HD ARG 64 -4.385 -12.392 -4.570 514 2HD ARG 64 1HD ARG 64 -5.314 -12.619 -3.088 515 HE ARG 64 HE ARG 64 -6.526 -10.613 -4.666 516 1HH1 ARG 64 1HH1 ARG 64 -6.058 -14.092 -4.576 517 2HH1 ARG 64 2HH1 ARG 64 -7.489 -14.431 -5.500 518 1HH2 ARG 64 1HH2 ARG 64 -8.409 -11.044 -5.827 519 2HH2 ARG 64 2HH2 ARG 64 -8.842 -12.685 -6.219 520 H ASN 65 H ASN 65 -2.651 -10.479 0.550 521 HA ASN 65 HA ASN 65 -0.051 -11.838 0.672 522 1HB ASN 65 2HB ASN 65 -0.844 -9.014 1.398 523 2HB ASN 65 1HB ASN 65 0.781 -9.677 1.562 524 1HD2 ASN 65 1HD2 ASN 65 -1.731 -8.775 -0.703 525 2HD2 ASN 65 2HD2 ASN 65 -0.714 -8.689 -2.097 526 H GLU 66 H GLU 66 -2.088 -9.943 2.862 527 HA GLU 66 HA GLU 66 -2.837 -10.271 4.956 528 1HB GLU 66 2HB GLU 66 -1.875 -13.098 4.568 529 2HB GLU 66 1HB GLU 66 -2.722 -12.535 6.002 530 1HG GLU 66 2HG GLU 66 -4.519 -11.749 4.293 531 2HG GLU 66 1HG GLU 66 -3.738 -12.922 3.232 532 H TYR 67 H TYR 67 0.452 -10.879 4.183 533 HA TYR 67 HA TYR 67 1.385 -10.827 6.889 534 1HB TYR 67 2HB TYR 67 2.677 -11.781 4.935 535 2HB TYR 67 1HB TYR 67 2.964 -10.127 4.403 536 HD1 TYR 67 1HD TYR 67 4.754 -8.902 5.272 537 HD2 TYR 67 2HD TYR 67 3.511 -12.445 7.265 538 HE1 TYR 67 1HE TYR 67 6.727 -8.765 6.721 539 HE2 TYR 67 2HE TYR 67 5.484 -12.321 8.728 540 HH TYR 67 HH TYR 67 7.402 -9.580 9.015 541 H ARG 68 H ARG 68 -0.091 -9.056 7.396 542 HA ARG 68 HA ARG 68 1.233 -6.467 7.197 543 1HB ARG 68 2HB ARG 68 -0.394 -6.622 5.294 544 2HB ARG 68 1HB ARG 68 -1.683 -6.852 6.470 545 1HG ARG 68 2HG ARG 68 -0.967 -4.644 7.473 546 2HG ARG 68 1HG ARG 68 0.012 -4.421 6.024 547 1HD ARG 68 2HD ARG 68 -2.134 -3.295 5.807 548 2HD ARG 68 1HD ARG 68 -1.987 -4.599 4.636 549 HE ARG 68 HE ARG 68 -3.968 -5.318 5.487 550 1HH1 ARG 68 1HH1 ARG 68 -2.123 -4.048 8.210 551 2HH1 ARG 68 2HH1 ARG 68 -3.325 -4.513 9.375 552 1HH2 ARG 68 1HH2 ARG 68 -5.570 -5.803 7.019 553 2HH2 ARG 68 2HH2 ARG 68 -5.274 -5.465 8.710 554 H TRP 69 H TRP 69 -0.774 -8.754 8.731 555 HA TRP 69 HA TRP 69 -1.643 -8.986 10.791 556 1HB TRP 69 2HB TRP 69 -0.083 -6.474 11.440 557 2HB TRP 69 1HB TRP 69 -0.885 -7.499 12.625 558 HD1 TRP 69 HD TRP 69 0.096 -10.138 12.697 559 HE1 TRP 69 1HE TRP 69 2.541 -10.921 12.510 560 HE3 TRP 69 3HE TRP 69 2.113 -5.991 10.488 561 HZ2 TRP 69 2HZ TRP 69 5.001 -9.911 11.556 562 HZ3 TRP 69 3HZ TRP 69 4.518 -5.980 9.973 563 HH2 TRP 69 HH TRP 69 5.931 -7.900 10.496 Start of MODEL 5 1 1H MET 1 1HT MET 1 -3.946 -7.256 17.006 2 2H MET 1 2HT MET 1 -3.172 -7.368 18.508 3 3H MET 1 3HT MET 1 -4.033 -8.695 17.901 4 HA MET 1 HA MET 1 -1.649 -8.981 17.694 5 1HB MET 1 2HB MET 1 -1.590 -9.555 15.291 6 2HB MET 1 1HB MET 1 -3.061 -10.114 16.072 7 1HG MET 1 2HG MET 1 -2.904 -7.572 14.473 8 2HG MET 1 1HG MET 1 -3.325 -9.132 13.775 9 1HE MET 1 1HE MET 1 -6.680 -9.989 15.567 10 2HE MET 1 2HE MET 1 -5.055 -10.504 16.020 11 3HE MET 1 3HE MET 1 -5.526 -10.465 14.321 12 H ASN 2 H ASN 2 0.184 -7.912 17.712 13 HA ASN 2 HA ASN 2 0.300 -5.230 16.634 14 1HB ASN 2 2HB ASN 2 1.263 -5.771 18.877 15 2HB ASN 2 1HB ASN 2 2.464 -6.776 18.072 16 1HD2 ASN 2 1HD2 ASN 2 4.196 -5.538 18.771 17 2HD2 ASN 2 2HD2 ASN 2 4.513 -3.944 18.164 18 H LYS 3 H LYS 3 1.775 -4.531 15.101 19 HA LYS 3 HA LYS 3 2.276 -6.338 12.958 20 1HB LYS 3 2HB LYS 3 3.310 -3.524 13.390 21 2HB LYS 3 1HB LYS 3 3.296 -4.398 11.864 22 1HG LYS 3 2HG LYS 3 0.792 -3.766 13.397 23 2HG LYS 3 1HG LYS 3 1.481 -2.677 12.190 24 1HD LYS 3 2HD LYS 3 1.134 -4.220 10.449 25 2HD LYS 3 1HD LYS 3 0.861 -5.552 11.575 26 1HE LYS 3 2HE LYS 3 -0.948 -3.153 11.340 27 2HE LYS 3 1HE LYS 3 -1.201 -4.664 10.465 28 1HZ LYS 3 1HZ LYS 3 -1.332 -5.830 12.582 29 2HZ LYS 3 2HZ LYS 3 -2.505 -4.610 12.482 30 3HZ LYS 3 3HZ LYS 3 -1.120 -4.369 13.417 31 H ASP 4 H ASP 4 4.296 -7.057 12.155 32 HA ASP 4 HA ASP 4 6.402 -7.247 14.118 33 1HB ASP 4 2HB ASP 4 7.589 -8.612 12.502 34 2HB ASP 4 1HB ASP 4 5.919 -9.153 12.607 35 H GLU 5 H GLU 5 8.702 -6.735 13.306 36 HA GLU 5 HA GLU 5 8.895 -3.985 13.362 37 1HB GLU 5 2HB GLU 5 11.285 -4.300 12.833 38 2HB GLU 5 1HB GLU 5 10.714 -5.411 14.069 39 1HG GLU 5 2HG GLU 5 10.535 -7.179 12.376 40 2HG GLU 5 1HG GLU 5 11.147 -6.056 11.164 41 H ALA 6 H ALA 6 9.350 -2.376 11.903 42 HA ALA 6 HA ALA 6 8.288 -2.766 9.275 43 1HB ALA 6 1HB ALA 6 8.630 -0.388 8.972 44 2HB ALA 6 2HB ALA 6 9.631 -0.322 10.424 45 3HB ALA 6 3HB ALA 6 7.912 -0.697 10.555 46 H GLY 7 H GLY 7 11.148 -3.671 10.430 47 1HA GLY 7 2HA GLY 7 12.828 -2.786 8.242 48 2HA GLY 7 1HA GLY 7 13.287 -3.891 9.532 49 H GLY 8 H GLY 8 10.352 -4.413 7.796 50 1HA GLY 8 2HA GLY 8 11.547 -6.215 5.864 51 2HA GLY 8 1HA GLY 8 10.581 -6.991 7.113 52 H ASN 9 H ASN 9 8.400 -5.730 7.458 53 HA ASN 9 HA ASN 9 6.924 -6.152 5.095 54 1HB ASN 9 2HB ASN 9 5.027 -5.124 6.466 55 2HB ASN 9 1HB ASN 9 5.784 -6.578 7.101 56 1HD2 ASN 9 1HD2 ASN 9 5.288 -6.237 9.221 57 2HD2 ASN 9 2HD2 ASN 9 5.944 -4.934 10.158 58 H TRP 10 H TRP 10 8.045 -3.194 6.646 59 HA TRP 10 HA TRP 10 6.695 -1.356 5.016 60 1HB TRP 10 2HB TRP 10 7.620 -0.465 6.951 61 2HB TRP 10 1HB TRP 10 9.162 -1.269 6.712 62 HD1 TRP 10 HD TRP 10 7.175 1.787 5.421 63 HE1 TRP 10 1HE TRP 10 8.873 3.523 4.547 64 HE3 TRP 10 3HE TRP 10 11.453 -0.974 5.868 65 HZ2 TRP 10 2HZ TRP 10 11.656 3.682 4.106 66 HZ3 TRP 10 3HZ TRP 10 13.590 0.044 5.199 67 HH2 TRP 10 HH TRP 10 13.687 2.325 4.336 68 H LYS 11 H LYS 11 9.680 -3.124 4.538 69 HA LYS 11 HA LYS 11 10.397 -1.644 2.167 70 1HB LYS 11 2HB LYS 11 12.029 -2.735 3.786 71 2HB LYS 11 1HB LYS 11 11.553 -4.276 3.084 72 1HG LYS 11 2HG LYS 11 13.606 -3.503 2.077 73 2HG LYS 11 1HG LYS 11 12.307 -3.489 0.882 74 1HD LYS 11 2HD LYS 11 12.074 -1.125 1.041 75 2HD LYS 11 1HD LYS 11 13.116 -1.056 2.461 76 1HE LYS 11 2HE LYS 11 13.958 -1.813 -0.334 77 2HE LYS 11 1HE LYS 11 14.297 -0.284 0.474 78 1HZ LYS 11 1HZ LYS 11 15.391 -2.964 1.079 79 2HZ LYS 11 2HZ LYS 11 15.432 -1.715 2.229 80 3HZ LYS 11 3HZ LYS 11 16.230 -1.530 0.745 81 H GLN 12 H GLN 12 9.106 -4.830 2.947 82 HA GLN 12 HA GLN 12 9.085 -5.883 0.340 83 1HB GLN 12 2HB GLN 12 8.928 -7.305 2.303 84 2HB GLN 12 1HB GLN 12 7.409 -6.557 2.765 85 1HG GLN 12 2HG GLN 12 6.916 -8.679 1.831 86 2HG GLN 12 1HG GLN 12 6.405 -7.456 0.673 87 1HE2 GLN 12 1HE2 GLN 12 7.081 -10.292 0.299 88 2HE2 GLN 12 2HE2 GLN 12 8.337 -10.322 -0.890 89 H PHE 13 H PHE 13 6.495 -4.322 2.238 90 HA PHE 13 HA PHE 13 4.680 -4.633 0.019 91 1HB PHE 13 2HB PHE 13 4.284 -3.414 2.743 92 2HB PHE 13 1HB PHE 13 3.009 -3.577 1.527 93 HD1 PHE 13 1HD PHE 13 4.897 -5.189 4.065 94 HD2 PHE 13 2HD PHE 13 2.471 -5.866 0.647 95 HE1 PHE 13 1HE PHE 13 4.664 -7.532 4.698 96 HE2 PHE 13 2HE PHE 13 2.230 -8.208 1.271 97 HZ PHE 13 HZ PHE 13 3.317 -9.064 3.310 98 H LYS 14 H LYS 14 6.907 -2.333 0.991 99 HA LYS 14 HA LYS 14 5.810 -0.052 -0.224 100 1HB LYS 14 2HB LYS 14 7.990 -0.012 0.950 101 2HB LYS 14 1HB LYS 14 8.694 -0.979 -0.341 102 1HG LYS 14 2HG LYS 14 8.311 0.807 -1.931 103 2HG LYS 14 1HG LYS 14 7.505 1.767 -0.692 104 1HD LYS 14 2HD LYS 14 10.384 0.873 -0.575 105 2HD LYS 14 1HD LYS 14 9.848 2.462 -1.118 106 1HE LYS 14 2HE LYS 14 8.747 2.744 1.123 107 2HE LYS 14 1HE LYS 14 9.561 1.264 1.630 108 1HZ LYS 14 1HZ LYS 14 10.900 3.732 0.654 109 2HZ LYS 14 2HZ LYS 14 11.686 2.318 1.157 110 3HZ LYS 14 3HZ LYS 14 10.810 3.240 2.273 111 H GLY 15 H GLY 15 7.634 -2.767 -1.585 112 1HA GLY 15 2HA GLY 15 7.244 -1.948 -4.296 113 2HA GLY 15 1HA GLY 15 7.848 -3.506 -3.755 114 H LYS 16 H LYS 16 5.754 -4.455 -2.249 115 HA LYS 16 HA LYS 16 4.122 -5.548 -4.247 116 1HB LYS 16 2HB LYS 16 4.203 -5.696 -1.299 117 2HB LYS 16 1HB LYS 16 2.672 -6.111 -2.049 118 1HG LYS 16 2HG LYS 16 4.056 -8.078 -1.681 119 2HG LYS 16 1HG LYS 16 3.768 -7.804 -3.400 120 1HD LYS 16 2HD LYS 16 6.000 -6.612 -3.435 121 2HD LYS 16 1HD LYS 16 6.274 -7.268 -1.822 122 1HE LYS 16 2HE LYS 16 7.297 -8.644 -3.593 123 2HE LYS 16 1HE LYS 16 6.081 -9.526 -2.668 124 1HZ LYS 16 1HZ LYS 16 5.480 -8.196 -5.253 125 2HZ LYS 16 2HZ LYS 16 4.541 -9.348 -4.423 126 3HZ LYS 16 3HZ LYS 16 6.003 -9.808 -5.148 127 H VAL 17 H VAL 17 3.388 -2.973 -1.885 128 HA VAL 17 HA VAL 17 0.707 -2.693 -2.806 129 HB VAL 17 HB VAL 17 2.379 -0.678 -1.290 130 1HG1 VAL 17 1HG1 VAL 17 -0.608 -0.819 -1.694 131 2HG1 VAL 17 2HG1 VAL 17 0.478 0.365 -2.422 132 3HG1 VAL 17 3HG1 VAL 17 0.247 0.339 -0.674 133 1HG2 VAL 17 1HG2 VAL 17 2.101 -2.763 -0.067 134 2HG2 VAL 17 2HG2 VAL 17 0.358 -2.690 -0.318 135 3HG2 VAL 17 3HG2 VAL 17 1.158 -1.470 0.675 136 H LYS 18 H LYS 18 3.797 -1.277 -3.794 137 HA LYS 18 HA LYS 18 2.614 0.635 -5.554 138 1HB LYS 18 2HB LYS 18 5.374 -0.543 -5.375 139 2HB LYS 18 1HB LYS 18 4.925 0.527 -6.696 140 1HG LYS 18 2HG LYS 18 4.354 2.274 -5.069 141 2HG LYS 18 1HG LYS 18 4.854 1.198 -3.763 142 1HD LYS 18 2HD LYS 18 6.663 2.696 -4.227 143 2HD LYS 18 1HD LYS 18 7.114 1.093 -4.809 144 1HE LYS 18 2HE LYS 18 6.399 1.773 -7.084 145 2HE LYS 18 1HE LYS 18 6.101 3.398 -6.467 146 1HZ LYS 18 1HZ LYS 18 8.706 1.980 -6.538 147 2HZ LYS 18 2HZ LYS 18 8.461 3.492 -5.810 148 3HZ LYS 18 3HZ LYS 18 8.252 3.310 -7.487 149 H GLU 19 H GLU 19 3.158 -2.767 -5.794 150 HA GLU 19 HA GLU 19 3.009 -2.907 -8.638 151 1HB GLU 19 2HB GLU 19 2.470 -4.995 -6.522 152 2HB GLU 19 1HB GLU 19 2.486 -5.323 -8.249 153 1HG GLU 19 2HG GLU 19 4.829 -4.597 -8.347 154 2HG GLU 19 1HG GLU 19 4.802 -4.334 -6.604 155 H GLN 20 H GLN 20 0.660 -3.328 -6.027 156 HA GLN 20 HA GLN 20 -1.540 -3.719 -7.841 157 1HB GLN 20 2HB GLN 20 -1.101 -4.412 -5.264 158 2HB GLN 20 1HB GLN 20 -2.064 -2.962 -5.025 159 1HG GLN 20 2HG GLN 20 -2.936 -5.227 -6.794 160 2HG GLN 20 1HG GLN 20 -3.315 -5.147 -5.077 161 1HE2 GLN 20 1HE2 GLN 20 -4.761 -3.636 -4.346 162 2HE2 GLN 20 2HE2 GLN 20 -5.804 -2.746 -5.392 163 H TRP 21 H TRP 21 -0.346 -1.113 -5.785 164 HA TRP 21 HA TRP 21 -2.042 0.783 -7.264 165 1HB TRP 21 2HB TRP 21 -1.119 0.885 -4.386 166 2HB TRP 21 1HB TRP 21 -1.871 2.239 -5.214 167 HD1 TRP 21 HD TRP 21 -4.470 1.739 -6.108 168 HE1 TRP 21 1HE TRP 21 -6.339 0.421 -4.921 169 HE3 TRP 21 3HE TRP 21 -1.587 -0.972 -2.873 170 HZ2 TRP 21 2HZ TRP 21 -6.536 -1.510 -2.859 171 HZ3 TRP 21 3HZ TRP 21 -2.693 -2.528 -1.324 172 HH2 TRP 21 HH TRP 21 -5.118 -2.790 -1.318 173 H GLY 22 H GLY 22 -0.462 1.168 -8.836 174 1HA GLY 22 2HA GLY 22 2.252 1.784 -8.089 175 2HA GLY 22 1HA GLY 22 1.589 1.785 -9.714 176 H LYS 23 H LYS 23 0.168 3.654 -7.112 177 HA LYS 23 HA LYS 23 1.211 6.092 -8.397 178 1HB LYS 23 2HB LYS 23 -1.474 5.332 -7.921 179 2HB LYS 23 1HB LYS 23 -1.110 6.657 -6.821 180 1HG LYS 23 2HG LYS 23 -0.032 7.556 -9.152 181 2HG LYS 23 1HG LYS 23 -1.436 6.651 -9.721 182 1HD LYS 23 2HD LYS 23 -2.868 7.931 -8.198 183 2HD LYS 23 1HD LYS 23 -1.460 8.828 -7.633 184 1HE LYS 23 2HE LYS 23 -1.092 9.670 -9.904 185 2HE LYS 23 1HE LYS 23 -2.524 8.801 -10.453 186 1HZ LYS 23 1HZ LYS 23 -2.861 11.211 -9.958 187 2HZ LYS 23 2HZ LYS 23 -2.595 10.868 -8.324 188 3HZ LYS 23 3HZ LYS 23 -3.910 10.168 -9.135 189 H LEU 24 H LEU 24 0.940 4.292 -5.498 190 HA LEU 24 HA LEU 24 1.166 6.459 -3.666 191 1HB LEU 24 2HB LEU 24 1.658 3.507 -3.371 192 2HB LEU 24 1HB LEU 24 1.801 4.632 -2.036 193 HG LEU 24 HG LEU 24 -0.703 4.042 -3.612 194 1HD1 LEU 24 1HD1 LEU 24 -1.506 3.086 -1.510 195 2HD1 LEU 24 2HD1 LEU 24 0.067 3.386 -0.771 196 3HD1 LEU 24 3HD1 LEU 24 -0.078 2.239 -2.103 197 1HD2 LEU 24 1HD2 LEU 24 -0.269 5.878 -1.263 198 2HD2 LEU 24 2HD2 LEU 24 -1.824 5.482 -1.996 199 3HD2 LEU 24 3HD2 LEU 24 -0.615 6.371 -2.921 200 H THR 25 H THR 25 2.924 7.338 -2.700 201 HA THR 25 HA THR 25 5.451 6.890 -4.103 202 HB THR 25 HB THR 25 6.147 9.023 -3.004 203 HG1 THR 25 1HG THR 25 3.421 9.044 -2.113 204 1HG2 THR 25 1HG2 THR 25 3.559 9.154 -4.560 205 2HG2 THR 25 2HG2 THR 25 5.175 9.027 -5.253 206 3HG2 THR 25 3HG2 THR 25 4.709 10.475 -4.359 207 H ASP 26 H ASP 26 7.450 7.260 -2.716 208 HA ASP 26 HA ASP 26 7.755 5.212 -0.845 209 1HB ASP 26 2HB ASP 26 9.626 6.216 -2.084 210 2HB ASP 26 1HB ASP 26 9.414 7.721 -1.196 211 H ASP 27 H ASP 27 7.124 8.661 -0.402 212 HA ASP 27 HA ASP 27 7.241 8.737 2.402 213 1HB ASP 27 2HB ASP 27 7.158 10.805 1.218 214 2HB ASP 27 1HB ASP 27 5.642 10.374 0.438 215 H ASP 28 H ASP 28 4.525 8.076 0.217 216 HA ASP 28 HA ASP 28 2.502 7.969 2.152 217 1HB ASP 28 2HB ASP 28 2.712 6.413 -0.431 218 2HB ASP 28 1HB ASP 28 1.267 6.538 0.541 219 H MET 29 H MET 29 4.487 5.430 0.749 220 HA MET 29 HA MET 29 3.389 3.246 2.071 221 1HB MET 29 2HB MET 29 6.218 3.707 1.135 222 2HB MET 29 1HB MET 29 5.575 2.163 1.658 223 1HG MET 29 2HG MET 29 4.552 3.764 -0.658 224 2HG MET 29 1HG MET 29 5.623 2.368 -0.768 225 1HE MET 29 1HE MET 29 4.142 1.065 -2.359 226 2HE MET 29 2HE MET 29 2.990 2.399 -2.448 227 3HE MET 29 3HE MET 29 2.421 0.758 -2.129 228 H THR 30 H THR 30 5.940 5.452 3.083 229 HA THR 30 HA THR 30 6.682 3.978 5.396 230 HB THR 30 HB THR 30 7.105 6.930 4.883 231 HG1 THR 30 1HG THR 30 8.044 5.975 3.150 232 1HG2 THR 30 1HG2 THR 30 7.617 6.199 7.173 233 2HG2 THR 30 2HG2 THR 30 9.083 6.636 6.298 234 3HG2 THR 30 3HG2 THR 30 8.671 4.938 6.535 235 H ILE 31 H ILE 31 4.188 6.307 4.700 236 HA ILE 31 HA ILE 31 3.575 6.817 7.478 237 HB ILE 31 HB ILE 31 1.732 7.375 5.154 238 1HG1 ILE 31 2HG1 ILE 31 4.022 9.102 6.142 239 2HG1 ILE 31 1HG1 ILE 31 3.917 8.313 4.577 240 1HG2 ILE 31 1HG2 ILE 31 2.121 8.699 7.835 241 2HG2 ILE 31 2HG2 ILE 31 0.784 7.646 7.374 242 3HG2 ILE 31 3HG2 ILE 31 0.978 9.218 6.598 243 1HD1 ILE 31 1HD1 ILE 31 2.011 9.692 3.989 244 2HD1 ILE 31 2HD1 ILE 31 3.406 10.681 4.425 245 3HD1 ILE 31 3HD1 ILE 31 2.080 10.473 5.569 246 H ILE 32 H ILE 32 2.755 4.475 5.079 247 HA ILE 32 HA ILE 32 0.293 3.666 6.386 248 HB ILE 32 HB ILE 32 1.718 2.320 4.076 249 1HG1 ILE 32 2HG1 ILE 32 -0.613 4.249 4.022 250 2HG1 ILE 32 1HG1 ILE 32 1.038 4.645 3.555 251 1HG2 ILE 32 1HG2 ILE 32 -1.101 2.043 5.112 252 2HG2 ILE 32 2HG2 ILE 32 0.178 0.835 5.234 253 3HG2 ILE 32 3HG2 ILE 32 -0.476 1.277 3.653 254 1HD1 ILE 32 1HD1 ILE 32 0.916 2.997 1.754 255 2HD1 ILE 32 2HD1 ILE 32 -0.340 4.225 1.606 256 3HD1 ILE 32 3HD1 ILE 32 -0.743 2.622 2.219 257 H GLU 33 H GLU 33 3.356 2.049 5.509 258 HA GLU 33 HA GLU 33 4.606 0.451 6.517 259 1HB GLU 33 2HB GLU 33 4.649 1.758 8.503 260 2HB GLU 33 1HB GLU 33 2.986 1.347 8.898 261 1HG GLU 33 2HG GLU 33 3.884 -1.070 9.038 262 2HG GLU 33 1HG GLU 33 5.460 -0.290 9.178 263 H GLY 34 H GLY 34 1.352 0.120 7.892 264 1HA GLY 34 2HA GLY 34 0.638 -2.181 6.446 265 2HA GLY 34 1HA GLY 34 1.312 -2.675 7.996 266 H LYS 35 H LYS 35 -0.264 0.367 7.796 267 HA LYS 35 HA LYS 35 -2.299 -0.592 9.628 268 1HB LYS 35 2HB LYS 35 -1.674 2.210 8.676 269 2HB LYS 35 1HB LYS 35 -2.817 1.789 9.947 270 1HG LYS 35 2HG LYS 35 -1.020 0.887 11.305 271 2HG LYS 35 1HG LYS 35 0.142 1.224 10.019 272 1HD LYS 35 2HD LYS 35 -0.341 3.608 10.214 273 2HD LYS 35 1HD LYS 35 -1.503 3.274 11.497 274 1HE LYS 35 2HE LYS 35 0.564 4.000 12.489 275 2HE LYS 35 1HE LYS 35 0.325 2.292 12.844 276 1HZ LYS 35 1HZ LYS 35 2.041 3.286 10.631 277 2HZ LYS 35 2HZ LYS 35 1.944 1.693 11.215 278 3HZ LYS 35 3HZ LYS 35 2.619 2.913 12.173 279 H ARG 36 H ARG 36 -4.405 -0.757 9.187 280 HA ARG 36 HA ARG 36 -5.110 -1.271 6.499 281 1HB ARG 36 2HB ARG 36 -6.012 -2.165 8.832 282 2HB ARG 36 1HB ARG 36 -7.196 -0.891 8.603 283 1HG ARG 36 2HG ARG 36 -6.664 -3.032 6.562 284 2HG ARG 36 1HG ARG 36 -7.869 -3.186 7.838 285 1HD ARG 36 2HD ARG 36 -8.932 -1.097 6.978 286 2HD ARG 36 1HD ARG 36 -7.801 -1.142 5.625 287 HE ARG 36 HE ARG 36 -8.855 -3.553 5.403 288 1HH1 ARG 36 1HH1 ARG 36 -10.464 -0.499 6.062 289 2HH1 ARG 36 2HH1 ARG 36 -11.965 -0.987 5.320 290 1HH2 ARG 36 1HH2 ARG 36 -10.818 -4.195 4.454 291 2HH2 ARG 36 2HH2 ARG 36 -12.174 -3.108 4.431 292 H ASP 37 H ASP 37 -6.101 1.289 8.754 293 HA ASP 37 HA ASP 37 -7.839 2.604 6.946 294 1HB ASP 37 2HB ASP 37 -8.113 2.997 9.288 295 2HB ASP 37 1HB ASP 37 -6.444 3.531 9.456 296 H GLN 38 H GLN 38 -4.421 2.856 7.593 297 HA GLN 38 HA GLN 38 -3.946 5.340 6.374 298 1HB GLN 38 2HB GLN 38 -2.306 3.050 7.247 299 2HB GLN 38 1HB GLN 38 -1.597 4.048 5.981 300 1HG GLN 38 2HG GLN 38 -2.646 5.092 8.601 301 2HG GLN 38 1HG GLN 38 -0.951 4.739 8.261 302 1HE2 GLN 38 1HE2 GLN 38 -2.287 7.269 8.946 303 2HE2 GLN 38 2HE2 GLN 38 -1.873 8.367 7.676 304 H LEU 39 H LEU 39 -3.816 2.037 5.045 305 HA LEU 39 HA LEU 39 -3.010 2.883 2.466 306 1HB LEU 39 2HB LEU 39 -3.331 0.437 3.661 307 2HB LEU 39 1HB LEU 39 -4.668 0.467 2.526 308 HG LEU 39 HG LEU 39 -1.727 0.685 1.910 309 1HD1 LEU 39 1HD1 LEU 39 -3.852 -1.262 1.058 310 2HD1 LEU 39 2HD1 LEU 39 -2.533 -1.568 2.189 311 3HD1 LEU 39 3HD1 LEU 39 -2.185 -1.252 0.486 312 1HD2 LEU 39 1HD2 LEU 39 -2.319 0.966 -0.433 313 2HD2 LEU 39 2HD2 LEU 39 -2.912 2.317 0.534 314 3HD2 LEU 39 3HD2 LEU 39 -4.026 1.059 -0.002 315 H VAL 40 H VAL 40 -6.206 2.139 3.849 316 HA VAL 40 HA VAL 40 -7.763 2.603 1.590 317 HB VAL 40 HB VAL 40 -8.431 3.172 4.487 318 1HG1 VAL 40 1HG1 VAL 40 -10.782 3.124 3.792 319 2HG1 VAL 40 2HG1 VAL 40 -10.281 2.997 2.106 320 3HG1 VAL 40 3HG1 VAL 40 -9.913 4.455 3.027 321 1HG2 VAL 40 1HG2 VAL 40 -9.091 0.833 2.698 322 2HG2 VAL 40 2HG2 VAL 40 -9.626 1.035 4.366 323 3HG2 VAL 40 3HG2 VAL 40 -7.910 0.831 4.008 324 H GLY 41 H GLY 41 -6.683 4.902 4.076 325 1HA GLY 41 2HA GLY 41 -7.798 7.220 2.973 326 2HA GLY 41 1HA GLY 41 -6.368 7.170 3.995 327 H LYS 42 H LYS 42 -4.573 5.801 2.480 328 HA LYS 42 HA LYS 42 -3.613 7.772 0.751 329 1HB LYS 42 2HB LYS 42 -2.866 4.922 1.239 330 2HB LYS 42 1HB LYS 42 -2.139 5.777 -0.110 331 1HG LYS 42 2HG LYS 42 -1.898 6.346 2.825 332 2HG LYS 42 1HG LYS 42 -0.618 6.018 1.646 333 1HD LYS 42 2HD LYS 42 -1.121 8.165 0.543 334 2HD LYS 42 1HD LYS 42 -2.336 8.498 1.780 335 1HE LYS 42 2HE LYS 42 -0.615 8.416 3.500 336 2HE LYS 42 1HE LYS 42 0.596 8.051 2.271 337 1HZ LYS 42 1HZ LYS 42 -1.037 10.511 2.147 338 2HZ LYS 42 2HZ LYS 42 0.434 10.169 1.369 339 3HZ LYS 42 3HZ LYS 42 0.398 10.447 3.042 340 H ILE 43 H ILE 43 -5.303 4.732 -0.009 341 HA ILE 43 HA ILE 43 -5.220 4.912 -2.792 342 HB ILE 43 HB ILE 43 -7.515 3.896 -1.099 343 1HG1 ILE 43 2HG1 ILE 43 -5.190 2.379 -2.296 344 2HG1 ILE 43 1HG1 ILE 43 -5.304 2.858 -0.604 345 1HG2 ILE 43 1HG2 ILE 43 -6.788 3.300 -3.965 346 2HG2 ILE 43 2HG2 ILE 43 -8.182 4.230 -3.414 347 3HG2 ILE 43 3HG2 ILE 43 -8.067 2.506 -3.043 348 1HD1 ILE 43 1HD1 ILE 43 -7.216 1.032 -2.035 349 2HD1 ILE 43 2HD1 ILE 43 -7.283 1.485 -0.331 350 3HD1 ILE 43 3HD1 ILE 43 -5.930 0.529 -0.937 351 H GLN 44 H GLN 44 -7.567 6.284 -0.521 352 HA GLN 44 HA GLN 44 -9.317 7.381 -2.435 353 1HB GLN 44 2HB GLN 44 -8.849 8.196 0.434 354 2HB GLN 44 1HB GLN 44 -10.196 8.736 -0.556 355 1HG GLN 44 2HG GLN 44 -10.920 6.375 -0.767 356 2HG GLN 44 1HG GLN 44 -9.628 5.927 0.348 357 1HE2 GLN 44 1HE2 GLN 44 -9.799 6.476 2.515 358 2HE2 GLN 44 2HE2 GLN 44 -11.284 7.018 3.220 359 H GLU 45 H GLU 45 -6.316 8.552 -1.147 360 HA GLU 45 HA GLU 45 -6.936 11.280 -2.036 361 1HB GLU 45 2HB GLU 45 -4.639 10.301 -0.332 362 2HB GLU 45 1HB GLU 45 -5.013 11.979 -0.694 363 1HG GLU 45 2HG GLU 45 -7.148 11.753 0.475 364 2HG GLU 45 1HG GLU 45 -6.755 10.078 0.855 365 H ARG 46 H ARG 46 -4.529 8.721 -2.457 366 HA ARG 46 HA ARG 46 -2.786 10.254 -4.079 367 1HB ARG 46 2HB ARG 46 -2.288 8.078 -2.794 368 2HB ARG 46 1HB ARG 46 -3.001 7.250 -4.169 369 1HG ARG 46 2HG ARG 46 -0.690 7.223 -4.520 370 2HG ARG 46 1HG ARG 46 -1.316 8.464 -5.606 371 1HD ARG 46 2HD ARG 46 0.054 8.874 -2.958 372 2HD ARG 46 1HD ARG 46 0.700 9.245 -4.550 373 HE ARG 46 HE ARG 46 -1.264 10.879 -4.649 374 1HH1 ARG 46 1HH1 ARG 46 0.510 10.065 -1.735 375 2HH1 ARG 46 2HH1 ARG 46 0.107 11.554 -0.926 376 1HH2 ARG 46 1HH2 ARG 46 -1.778 12.829 -3.608 377 2HH2 ARG 46 2HH2 ARG 46 -1.185 13.134 -1.998 378 H TYR 47 H TYR 47 -5.187 7.745 -4.903 379 HA TYR 47 HA TYR 47 -5.060 8.502 -7.716 380 1HB TYR 47 2HB TYR 47 -6.761 6.519 -6.210 381 2HB TYR 47 1HB TYR 47 -6.967 6.851 -7.923 382 HD1 TYR 47 1HD TYR 47 -5.360 6.060 -9.537 383 HD2 TYR 47 2HD TYR 47 -4.855 5.295 -5.387 384 HE1 TYR 47 1HE TYR 47 -3.717 4.317 -10.069 385 HE2 TYR 47 2HE TYR 47 -3.208 3.557 -5.901 386 HH TYR 47 HH TYR 47 -2.705 2.027 -7.874 387 H GLY 48 H GLY 48 -7.255 8.631 -5.003 388 1HA GLY 48 2HA GLY 48 -8.807 10.453 -4.706 389 2HA GLY 48 1HA GLY 48 -8.882 10.612 -6.458 390 H TYR 49 H TYR 49 -8.920 7.486 -4.973 391 HA TYR 49 HA TYR 49 -11.428 6.840 -6.182 392 1HB TYR 49 2HB TYR 49 -9.588 5.349 -4.323 393 2HB TYR 49 1HB TYR 49 -11.149 4.698 -4.794 394 HD1 TYR 49 1HD TYR 49 -11.435 5.031 -7.567 395 HD2 TYR 49 2HD TYR 49 -7.854 4.335 -5.379 396 HE1 TYR 49 1HE TYR 49 -10.424 3.998 -9.559 397 HE2 TYR 49 2HE TYR 49 -6.835 3.309 -7.364 398 HH TYR 49 HH TYR 49 -7.514 2.214 -9.423 399 H GLN 50 H GLN 50 -13.291 6.071 -5.065 400 HA GLN 50 HA GLN 50 -13.979 7.488 -2.671 401 1HB GLN 50 2HB GLN 50 -15.398 5.249 -4.135 402 2HB GLN 50 1HB GLN 50 -16.087 6.186 -2.817 403 1HG GLN 50 2HG GLN 50 -15.219 7.298 -5.476 404 2HG GLN 50 1HG GLN 50 -16.879 6.924 -5.012 405 1HE2 GLN 50 1HE2 GLN 50 -17.902 8.196 -3.453 406 2HE2 GLN 50 2HE2 GLN 50 -17.336 9.791 -3.064 407 H LYS 51 H LYS 51 -14.772 6.299 -0.700 408 HA LYS 51 HA LYS 51 -12.771 4.520 0.245 409 1HB LYS 51 2HB LYS 51 -14.179 6.086 1.659 410 2HB LYS 51 1HB LYS 51 -15.501 4.941 1.473 411 1HG LYS 51 2HG LYS 51 -14.165 3.211 2.559 412 2HG LYS 51 1HG LYS 51 -12.829 4.350 2.734 413 1HD LYS 51 2HD LYS 51 -14.017 4.241 4.818 414 2HD LYS 51 1HD LYS 51 -14.332 5.811 4.074 415 1HE LYS 51 2HE LYS 51 -16.437 5.135 4.786 416 2HE LYS 51 1HE LYS 51 -16.417 4.676 3.083 417 1HZ LYS 51 1HZ LYS 51 -17.320 2.907 4.423 418 2HZ LYS 51 2HZ LYS 51 -15.934 2.869 5.392 419 3HZ LYS 51 3HZ LYS 51 -15.838 2.406 3.763 420 H ASP 52 H ASP 52 -15.835 4.142 -1.296 421 HA ASP 52 HA ASP 52 -16.407 1.456 -0.873 422 1HB ASP 52 2HB ASP 52 -17.929 2.882 -2.105 423 2HB ASP 52 1HB ASP 52 -16.729 3.150 -3.362 424 H GLN 53 H GLN 53 -14.624 2.842 -3.604 425 HA GLN 53 HA GLN 53 -13.671 0.407 -4.613 426 1HB GLN 53 2HB GLN 53 -13.773 2.453 -5.958 427 2HB GLN 53 1HB GLN 53 -12.566 3.203 -4.924 428 1HG GLN 53 2HG GLN 53 -11.272 2.539 -6.682 429 2HG GLN 53 1HG GLN 53 -11.117 1.147 -5.616 430 1HE2 GLN 53 1HE2 GLN 53 -13.991 0.423 -6.350 431 2HE2 GLN 53 2HE2 GLN 53 -13.827 -0.362 -7.881 432 H ALA 54 H ALA 54 -12.296 2.750 -2.363 433 HA ALA 54 HA ALA 54 -9.683 1.789 -2.300 434 1HB ALA 54 1HB ALA 54 -11.212 3.081 -0.046 435 2HB ALA 54 2HB ALA 54 -10.367 3.937 -1.337 436 3HB ALA 54 3HB ALA 54 -9.457 2.960 -0.185 437 H GLU 55 H GLU 55 -12.443 0.909 -0.191 438 HA GLU 55 HA GLU 55 -10.866 -0.932 1.309 439 1HB GLU 55 2HB GLU 55 -13.860 -0.630 1.091 440 2HB GLU 55 1HB GLU 55 -13.049 -1.692 2.234 441 1HG GLU 55 2HG GLU 55 -11.840 0.381 3.069 442 2HG GLU 55 1HG GLU 55 -13.010 1.306 2.129 443 H LYS 56 H LYS 56 -12.933 -1.217 -1.518 444 HA LYS 56 HA LYS 56 -13.119 -4.010 -1.630 445 1HB LYS 56 2HB LYS 56 -13.150 -1.890 -3.765 446 2HB LYS 56 1HB LYS 56 -13.288 -3.597 -4.165 447 1HG LYS 56 2HG LYS 56 -15.309 -3.801 -2.915 448 2HG LYS 56 1HG LYS 56 -15.127 -2.171 -2.261 449 1HD LYS 56 2HD LYS 56 -15.423 -1.217 -4.466 450 2HD LYS 56 1HD LYS 56 -15.487 -2.829 -5.184 451 1HE LYS 56 2HE LYS 56 -17.544 -3.318 -4.108 452 2HE LYS 56 1HE LYS 56 -17.420 -1.894 -3.078 453 1HZ LYS 56 1HZ LYS 56 -19.006 -1.580 -4.871 454 2HZ LYS 56 2HZ LYS 56 -17.797 -1.853 -6.027 455 3HZ LYS 56 3HZ LYS 56 -17.711 -0.493 -5.014 456 H GLU 57 H GLU 57 -10.712 -1.824 -3.080 457 HA GLU 57 HA GLU 57 -9.163 -3.921 -4.185 458 1HB GLU 57 2HB GLU 57 -8.347 -1.093 -3.532 459 2HB GLU 57 1HB GLU 57 -7.430 -2.213 -4.529 460 1HG GLU 57 2HG GLU 57 -9.537 -2.333 -5.984 461 2HG GLU 57 1HG GLU 57 -10.043 -0.881 -5.121 462 H VAL 58 H VAL 58 -9.154 -2.291 -1.081 463 HA VAL 58 HA VAL 58 -6.691 -3.281 -0.141 464 HB VAL 58 HB VAL 58 -9.168 -2.400 1.340 465 1HG1 VAL 58 1HG1 VAL 58 -6.521 -3.250 2.522 466 2HG1 VAL 58 2HG1 VAL 58 -8.064 -4.081 2.721 467 3HG1 VAL 58 3HG1 VAL 58 -7.837 -2.472 3.405 468 1HG2 VAL 58 1HG2 VAL 58 -7.883 -0.660 0.217 469 2HG2 VAL 58 2HG2 VAL 58 -6.418 -1.199 1.036 470 3HG2 VAL 58 3HG2 VAL 58 -7.747 -0.508 1.968 471 H VAL 59 H VAL 59 -9.999 -4.589 0.159 472 HA VAL 59 HA VAL 59 -9.334 -6.803 1.753 473 HB VAL 59 HB VAL 59 -11.592 -6.515 -0.238 474 1HG1 VAL 59 1HG1 VAL 59 -11.183 -8.868 0.228 475 2HG1 VAL 59 2HG1 VAL 59 -12.680 -8.336 0.995 476 3HG1 VAL 59 3HG1 VAL 59 -11.220 -8.547 1.962 477 1HG2 VAL 59 1HG2 VAL 59 -12.945 -6.007 1.743 478 2HG2 VAL 59 2HG2 VAL 59 -11.626 -4.851 1.549 479 3HG2 VAL 59 3HG2 VAL 59 -11.506 -6.131 2.754 480 H ASP 60 H ASP 60 -9.458 -6.471 -1.774 481 HA ASP 60 HA ASP 60 -8.878 -9.150 -2.401 482 1HB ASP 60 2HB ASP 60 -9.715 -7.663 -4.107 483 2HB ASP 60 1HB ASP 60 -8.330 -6.592 -3.917 484 H TRP 61 H TRP 61 -6.723 -6.327 -2.254 485 HA TRP 61 HA TRP 61 -4.302 -7.662 -2.670 486 1HB TRP 61 2HB TRP 61 -4.532 -5.234 -2.814 487 2HB TRP 61 1HB TRP 61 -4.875 -5.141 -1.093 488 HD1 TRP 61 HD TRP 61 -1.995 -5.590 -3.557 489 HE1 TRP 61 1HE TRP 61 0.227 -5.274 -2.301 490 HE3 TRP 61 3HE TRP 61 -3.796 -5.371 1.228 491 HZ2 TRP 61 2HZ TRP 61 1.096 -4.974 0.376 492 HZ3 TRP 61 3HZ TRP 61 -2.201 -5.069 3.076 493 HH2 TRP 61 HH TRP 61 0.193 -4.874 2.657 494 H GLU 62 H GLU 62 -6.149 -7.073 0.241 495 HA GLU 62 HA GLU 62 -4.466 -7.775 2.278 496 1HB GLU 62 2HB GLU 62 -6.762 -6.987 2.587 497 2HB GLU 62 1HB GLU 62 -7.386 -8.487 1.922 498 1HG GLU 62 2HG GLU 62 -7.630 -8.591 4.266 499 2HG GLU 62 1HG GLU 62 -6.319 -9.683 3.830 500 H THR 63 H THR 63 -6.718 -10.050 0.723 501 HA THR 63 HA THR 63 -5.648 -12.320 1.998 502 HB THR 63 HB THR 63 -7.298 -12.215 -0.534 503 HG1 THR 63 1HG THR 63 -7.987 -12.153 2.234 504 1HG2 THR 63 1HG2 THR 63 -6.350 -14.430 -0.129 505 2HG2 THR 63 2HG2 THR 63 -8.086 -14.437 0.183 506 3HG2 THR 63 3HG2 THR 63 -6.949 -14.396 1.530 507 H ARG 64 H ARG 64 -4.660 -10.647 -0.891 508 HA ARG 64 HA ARG 64 -3.330 -12.838 -2.125 509 1HB ARG 64 2HB ARG 64 -2.871 -9.870 -2.425 510 2HB ARG 64 1HB ARG 64 -2.123 -11.102 -3.435 511 1HG ARG 64 2HG ARG 64 -4.406 -11.865 -4.059 512 2HG ARG 64 1HG ARG 64 -5.047 -10.465 -3.199 513 1HD ARG 64 2HD ARG 64 -3.679 -9.010 -4.674 514 2HD ARG 64 1HD ARG 64 -3.206 -10.448 -5.583 515 HE ARG 64 HE ARG 64 -5.846 -9.193 -5.515 516 1HH1 ARG 64 1HH1 ARG 64 -3.759 -11.732 -6.748 517 2HH1 ARG 64 2HH1 ARG 64 -4.928 -12.300 -7.893 518 1HH2 ARG 64 1HH2 ARG 64 -7.383 -9.958 -6.958 519 2HH2 ARG 64 2HH2 ARG 64 -7.017 -11.293 -8.010 520 H ASN 65 H ASN 65 -2.265 -10.424 0.221 521 HA ASN 65 HA ASN 65 0.434 -11.586 0.119 522 1HB ASN 65 2HB ASN 65 -0.520 -8.999 1.352 523 2HB ASN 65 1HB ASN 65 1.135 -9.582 1.387 524 1HD2 ASN 65 1HD2 ASN 65 -1.433 -8.410 -0.680 525 2HD2 ASN 65 2HD2 ASN 65 -0.417 -7.968 -2.011 526 H GLU 66 H GLU 66 -1.792 -10.280 2.544 527 HA GLU 66 HA GLU 66 -2.625 -11.189 4.468 528 1HB GLU 66 2HB GLU 66 -0.896 -13.569 3.773 529 2HB GLU 66 1HB GLU 66 -1.943 -13.492 5.184 530 1HG GLU 66 2HG GLU 66 -3.066 -13.024 2.457 531 2HG GLU 66 1HG GLU 66 -2.770 -14.664 3.033 532 H TYR 67 H TYR 67 0.840 -11.752 4.016 533 HA TYR 67 HA TYR 67 1.704 -11.475 6.634 534 1HB TYR 67 2HB TYR 67 3.248 -12.184 4.953 535 2HB TYR 67 1HB TYR 67 2.998 -10.727 4.012 536 HD1 TYR 67 1HD TYR 67 5.291 -10.097 3.841 537 HD2 TYR 67 2HD TYR 67 3.546 -10.698 7.679 538 HE1 TYR 67 1HE TYR 67 7.219 -8.988 4.883 539 HE2 TYR 67 2HE TYR 67 5.477 -9.594 8.727 540 HH TYR 67 HH TYR 67 7.484 -8.687 8.417 541 H ARG 68 H ARG 68 1.084 -9.928 7.955 542 HA ARG 68 HA ARG 68 2.048 -7.344 7.908 543 1HB ARG 68 2HB ARG 68 0.306 -7.209 5.989 544 2HB ARG 68 1HB ARG 68 -0.897 -7.297 7.268 545 1HG ARG 68 2HG ARG 68 0.073 -5.285 8.290 546 2HG ARG 68 1HG ARG 68 1.216 -5.182 6.947 547 1HD ARG 68 2HD ARG 68 -0.549 -3.709 6.410 548 2HD ARG 68 1HD ARG 68 -0.790 -5.143 5.413 549 HE ARG 68 HE ARG 68 -2.374 -4.381 7.767 550 1HH1 ARG 68 1HH1 ARG 68 -1.888 -6.428 4.981 551 2HH1 ARG 68 2HH1 ARG 68 -3.494 -7.104 5.024 552 1HH2 ARG 68 1HH2 ARG 68 -4.522 -5.229 7.791 553 2HH2 ARG 68 2HH2 ARG 68 -4.999 -6.381 6.576 554 H TRP 69 H TRP 69 -0.949 -9.059 8.599 555 HA TRP 69 HA TRP 69 -2.094 -9.552 10.479 556 1HB TRP 69 2HB TRP 69 0.426 -9.157 12.074 557 2HB TRP 69 1HB TRP 69 -0.874 -10.311 12.341 558 HD1 TRP 69 HD TRP 69 2.518 -10.517 11.573 559 HE1 TRP 69 1HE TRP 69 3.136 -12.467 10.013 560 HE3 TRP 69 3HE TRP 69 -2.124 -11.557 9.681 561 HZ2 TRP 69 2HZ TRP 69 1.837 -14.208 8.218 562 HZ3 TRP 69 3HZ TRP 69 -2.345 -13.381 8.043 563 HH2 TRP 69 HH TRP 69 -0.401 -14.677 7.329 Start of MODEL 6 1 1H MET 1 1HT MET 1 -2.952 -11.595 13.022 2 2H MET 1 2HT MET 1 -3.317 -12.469 14.422 3 3H MET 1 3HT MET 1 -3.107 -13.278 12.944 4 HA MET 1 HA MET 1 -1.197 -13.474 14.471 5 1HB MET 1 2HB MET 1 0.510 -12.931 12.770 6 2HB MET 1 1HB MET 1 -0.868 -13.771 12.074 7 1HG MET 1 2HG MET 1 -1.737 -11.684 11.208 8 2HG MET 1 1HG MET 1 -0.415 -10.799 11.963 9 1HE MET 1 1HE MET 1 2.682 -11.880 9.908 10 2HE MET 1 2HE MET 1 2.134 -12.498 11.466 11 3HE MET 1 3HE MET 1 2.039 -10.771 11.122 12 H ASN 2 H ASN 2 0.805 -12.355 15.146 13 HA ASN 2 HA ASN 2 0.212 -9.624 15.975 14 1HB ASN 2 2HB ASN 2 0.828 -11.199 17.755 15 2HB ASN 2 1HB ASN 2 2.343 -11.549 16.931 16 1HD2 ASN 2 1HD2 ASN 2 4.016 -10.083 17.038 17 2HD2 ASN 2 2HD2 ASN 2 4.013 -8.739 18.125 18 H LYS 3 H LYS 3 1.168 -7.972 15.010 19 HA LYS 3 HA LYS 3 2.831 -8.378 12.758 20 1HB LYS 3 2HB LYS 3 1.216 -6.497 13.026 21 2HB LYS 3 1HB LYS 3 2.291 -5.795 14.227 22 1HG LYS 3 2HG LYS 3 4.069 -5.752 12.456 23 2HG LYS 3 1HG LYS 3 2.815 -6.196 11.298 24 1HD LYS 3 2HD LYS 3 2.714 -3.763 13.076 25 2HD LYS 3 1HD LYS 3 3.289 -3.753 11.410 26 1HE LYS 3 2HE LYS 3 1.058 -3.025 11.299 27 2HE LYS 3 1HE LYS 3 1.023 -4.705 10.776 28 1HZ LYS 3 1HZ LYS 3 -0.757 -3.964 12.389 29 2HZ LYS 3 2HZ LYS 3 0.455 -3.928 13.576 30 3HZ LYS 3 3HZ LYS 3 0.076 -5.385 12.789 31 H ASP 4 H ASP 4 4.957 -8.551 12.622 32 HA ASP 4 HA ASP 4 6.614 -7.978 14.932 33 1HB ASP 4 2HB ASP 4 8.449 -8.934 13.557 34 2HB ASP 4 1HB ASP 4 7.089 -10.033 13.740 35 H GLU 5 H GLU 5 8.748 -6.806 14.439 36 HA GLU 5 HA GLU 5 8.018 -4.139 13.973 37 1HB GLU 5 2HB GLU 5 9.820 -4.786 15.483 38 2HB GLU 5 1HB GLU 5 10.766 -5.382 14.128 39 1HG GLU 5 2HG GLU 5 10.971 -3.152 13.236 40 2HG GLU 5 1HG GLU 5 9.917 -2.519 14.500 41 H ALA 6 H ALA 6 8.235 -2.767 12.292 42 HA ALA 6 HA ALA 6 8.492 -3.808 9.669 43 1HB ALA 6 1HB ALA 6 7.083 -1.863 10.193 44 2HB ALA 6 2HB ALA 6 8.251 -1.503 8.922 45 3HB ALA 6 3HB ALA 6 8.529 -0.925 10.564 46 H GLY 7 H GLY 7 10.285 -4.344 8.690 47 1HA GLY 7 2HA GLY 7 12.488 -2.716 8.239 48 2HA GLY 7 1HA GLY 7 12.879 -3.698 9.649 49 H GLY 8 H GLY 8 12.926 -3.574 6.298 50 1HA GLY 8 2HA GLY 8 13.727 -5.208 4.819 51 2HA GLY 8 1HA GLY 8 13.541 -6.419 6.087 52 H ASN 9 H ASN 9 11.076 -6.478 6.818 53 HA ASN 9 HA ASN 9 9.554 -7.488 4.661 54 1HB ASN 9 2HB ASN 9 7.636 -7.404 6.344 55 2HB ASN 9 1HB ASN 9 9.038 -8.350 6.821 56 1HD2 ASN 9 1HD2 ASN 9 8.237 -8.122 8.997 57 2HD2 ASN 9 2HD2 ASN 9 8.556 -6.671 9.886 58 H TRP 10 H TRP 10 9.803 -4.395 6.178 59 HA TRP 10 HA TRP 10 7.458 -3.202 5.173 60 1HB TRP 10 2HB TRP 10 8.738 -2.379 7.119 61 2HB TRP 10 1HB TRP 10 10.064 -1.939 6.054 62 HD1 TRP 10 HD TRP 10 6.332 -1.146 5.421 63 HE1 TRP 10 1HE TRP 10 6.079 1.417 5.316 64 HE3 TRP 10 3HE TRP 10 11.113 0.180 6.643 65 HZ2 TRP 10 2HZ TRP 10 7.705 3.697 5.719 66 HZ3 TRP 10 3HZ TRP 10 11.682 2.571 6.769 67 HH2 TRP 10 HH TRP 10 10.014 4.289 6.316 68 H LYS 11 H LYS 11 10.837 -3.162 4.035 69 HA LYS 11 HA LYS 11 10.322 -1.506 1.795 70 1HB LYS 11 2HB LYS 11 12.584 -1.852 2.750 71 2HB LYS 11 1HB LYS 11 12.557 -3.510 2.163 72 1HG LYS 11 2HG LYS 11 12.361 -2.662 -0.144 73 2HG LYS 11 1HG LYS 11 12.473 -1.014 0.476 74 1HD LYS 11 2HD LYS 11 14.581 -3.151 0.798 75 2HD LYS 11 1HD LYS 11 14.625 -1.841 -0.382 76 1HE LYS 11 2HE LYS 11 14.675 -0.199 1.401 77 2HE LYS 11 1HE LYS 11 14.539 -1.477 2.609 78 1HZ LYS 11 1HZ LYS 11 16.805 -1.061 0.738 79 2HZ LYS 11 2HZ LYS 11 16.666 -2.363 1.815 80 3HZ LYS 11 3HZ LYS 11 16.816 -0.779 2.408 81 H GLN 12 H GLN 12 10.187 -4.980 2.308 82 HA GLN 12 HA GLN 12 10.003 -5.716 -0.427 83 1HB GLN 12 2HB GLN 12 10.545 -7.316 1.405 84 2HB GLN 12 1HB GLN 12 8.901 -7.173 1.984 85 1HG GLN 12 2HG GLN 12 9.284 -9.206 0.648 86 2HG GLN 12 1HG GLN 12 8.044 -8.152 -0.032 87 1HE2 GLN 12 1HE2 GLN 12 8.457 -7.051 -1.943 88 2HE2 GLN 12 2HE2 GLN 12 9.770 -7.474 -2.991 89 H PHE 13 H PHE 13 7.675 -5.000 2.096 90 HA PHE 13 HA PHE 13 5.442 -5.737 0.497 91 1HB PHE 13 2HB PHE 13 5.676 -5.704 3.079 92 2HB PHE 13 1HB PHE 13 5.218 -4.006 2.927 93 HD1 PHE 13 1HD PHE 13 4.169 -7.263 1.479 94 HD2 PHE 13 2HD PHE 13 3.001 -3.567 3.227 95 HE1 PHE 13 1HE PHE 13 1.817 -7.918 1.277 96 HE2 PHE 13 2HE PHE 13 0.646 -4.222 3.054 97 HZ PHE 13 HZ PHE 13 0.041 -6.408 2.081 98 H LYS 14 H LYS 14 6.904 -2.647 1.434 99 HA LYS 14 HA LYS 14 5.116 -0.933 0.198 100 1HB LYS 14 2HB LYS 14 8.105 -0.709 0.511 101 2HB LYS 14 1HB LYS 14 7.142 0.567 -0.220 102 1HG LYS 14 2HG LYS 14 5.751 0.471 1.936 103 2HG LYS 14 1HG LYS 14 7.115 -0.426 2.604 104 1HD LYS 14 2HD LYS 14 7.299 2.308 1.340 105 2HD LYS 14 1HD LYS 14 7.203 2.010 3.075 106 1HE LYS 14 2HE LYS 14 9.291 0.736 2.964 107 2HE LYS 14 1HE LYS 14 9.387 1.048 1.231 108 1HZ LYS 14 1HZ LYS 14 10.774 2.573 2.516 109 2HZ LYS 14 2HZ LYS 14 9.413 3.140 3.344 110 3HZ LYS 14 3HZ LYS 14 9.561 3.410 1.678 111 H GLY 15 H GLY 15 7.837 -2.687 -1.264 112 1HA GLY 15 2HA GLY 15 7.483 -1.733 -3.886 113 2HA GLY 15 1HA GLY 15 8.198 -3.281 -3.459 114 H LYS 16 H LYS 16 5.930 -4.343 -2.116 115 HA LYS 16 HA LYS 16 4.561 -5.496 -4.302 116 1HB LYS 16 2HB LYS 16 4.966 -6.608 -2.103 117 2HB LYS 16 1HB LYS 16 3.781 -5.531 -1.380 118 1HG LYS 16 2HG LYS 16 2.801 -7.690 -1.829 119 2HG LYS 16 1HG LYS 16 2.054 -6.455 -2.847 120 1HD LYS 16 2HD LYS 16 3.603 -7.125 -4.665 121 2HD LYS 16 1HD LYS 16 4.157 -8.455 -3.654 122 1HE LYS 16 2HE LYS 16 1.844 -9.301 -3.560 123 2HE LYS 16 1HE LYS 16 1.344 -8.001 -4.641 124 1HZ LYS 16 1HZ LYS 16 3.375 -10.053 -5.337 125 2HZ LYS 16 2HZ LYS 16 2.698 -8.895 -6.377 126 3HZ LYS 16 3HZ LYS 16 1.740 -10.147 -5.762 127 H VAL 17 H VAL 17 3.649 -3.007 -1.934 128 HA VAL 17 HA VAL 17 0.960 -2.760 -2.813 129 HB VAL 17 HB VAL 17 2.548 -0.527 -1.552 130 1HG1 VAL 17 1HG1 VAL 17 -0.380 -1.237 -1.504 131 2HG1 VAL 17 2HG1 VAL 17 0.367 0.098 -2.381 132 3HG1 VAL 17 3HG1 VAL 17 0.361 0.095 -0.617 133 1HG2 VAL 17 1HG2 VAL 17 2.907 -2.503 -0.192 134 2HG2 VAL 17 2HG2 VAL 17 1.173 -2.821 -0.156 135 3HG2 VAL 17 3HG2 VAL 17 1.823 -1.384 0.636 136 H LYS 18 H LYS 18 3.981 -1.251 -3.789 137 HA LYS 18 HA LYS 18 2.774 0.675 -5.507 138 1HB LYS 18 2HB LYS 18 5.592 -0.415 -5.420 139 2HB LYS 18 1HB LYS 18 5.081 0.917 -6.449 140 1HG LYS 18 2HG LYS 18 4.394 2.153 -4.408 141 2HG LYS 18 1HG LYS 18 5.074 0.847 -3.440 142 1HD LYS 18 2HD LYS 18 6.786 2.414 -3.483 143 2HD LYS 18 1HD LYS 18 7.242 1.299 -4.771 144 1HE LYS 18 2HE LYS 18 5.692 3.835 -5.259 145 2HE LYS 18 1HE LYS 18 7.451 3.763 -5.301 146 1HZ LYS 18 1HZ LYS 18 7.266 2.079 -7.064 147 2HZ LYS 18 2HZ LYS 18 6.581 3.563 -7.509 148 3HZ LYS 18 3HZ LYS 18 5.582 2.270 -7.067 149 H GLU 19 H GLU 19 3.562 -2.681 -5.828 150 HA GLU 19 HA GLU 19 3.350 -2.807 -8.667 151 1HB GLU 19 2HB GLU 19 2.856 -4.925 -6.568 152 2HB GLU 19 1HB GLU 19 2.922 -5.229 -8.298 153 1HG GLU 19 2HG GLU 19 5.253 -4.406 -8.309 154 2HG GLU 19 1HG GLU 19 5.165 -4.244 -6.554 155 H GLN 20 H GLN 20 1.094 -2.990 -5.985 156 HA GLN 20 HA GLN 20 -1.210 -3.601 -7.561 157 1HB GLN 20 2HB GLN 20 -0.926 -3.897 -5.034 158 2HB GLN 20 1HB GLN 20 -1.203 -2.166 -4.905 159 1HG GLN 20 2HG GLN 20 -3.345 -2.753 -6.319 160 2HG GLN 20 1HG GLN 20 -3.085 -4.348 -5.615 161 1HE2 GLN 20 1HE2 GLN 20 -5.331 -2.738 -5.133 162 2HE2 GLN 20 2HE2 GLN 20 -5.329 -2.318 -3.451 163 H TRP 21 H TRP 21 -0.180 -0.650 -5.905 164 HA TRP 21 HA TRP 21 -1.608 0.956 -7.909 165 1HB TRP 21 2HB TRP 21 -1.396 1.348 -4.923 166 2HB TRP 21 1HB TRP 21 -1.903 2.627 -6.006 167 HD1 TRP 21 HD TRP 21 -3.570 0.943 -3.652 168 HE1 TRP 21 1HE TRP 21 -5.930 0.130 -4.281 169 HE3 TRP 21 3HE TRP 21 -3.179 1.134 -8.750 170 HZ2 TRP 21 2HZ TRP 21 -7.424 -0.369 -6.614 171 HZ3 TRP 21 3HZ TRP 21 -5.120 0.470 -10.104 172 HH2 TRP 21 HH TRP 21 -7.199 -0.268 -9.058 173 H GLY 22 H GLY 22 0.084 1.523 -9.147 174 1HA GLY 22 2HA GLY 22 2.670 2.165 -8.102 175 2HA GLY 22 1HA GLY 22 2.142 2.355 -9.765 176 H LYS 23 H LYS 23 -0.026 3.893 -7.783 177 HA LYS 23 HA LYS 23 1.049 6.495 -8.507 178 1HB LYS 23 2HB LYS 23 -1.493 5.445 -8.449 179 2HB LYS 23 1HB LYS 23 -1.454 6.415 -6.983 180 1HG LYS 23 2HG LYS 23 -0.648 7.487 -9.670 181 2HG LYS 23 1HG LYS 23 -2.303 7.553 -9.064 182 1HD LYS 23 2HD LYS 23 -1.630 8.915 -7.205 183 2HD LYS 23 1HD LYS 23 0.073 8.715 -7.614 184 1HE LYS 23 2HE LYS 23 -0.748 10.902 -8.320 185 2HE LYS 23 1HE LYS 23 -0.288 9.920 -9.710 186 1HZ LYS 23 1HZ LYS 23 -2.375 11.091 -10.065 187 2HZ LYS 23 2HZ LYS 23 -3.066 10.304 -8.731 188 3HZ LYS 23 3HZ LYS 23 -2.605 9.412 -10.100 189 H LEU 24 H LEU 24 0.868 4.426 -5.790 190 HA LEU 24 HA LEU 24 0.930 6.473 -3.785 191 1HB LEU 24 2HB LEU 24 1.687 3.570 -3.585 192 2HB LEU 24 1HB LEU 24 1.431 4.646 -2.231 193 HG LEU 24 HG LEU 24 -0.594 3.464 -4.109 194 1HD1 LEU 24 1HD1 LEU 24 -1.635 2.746 -2.046 195 2HD1 LEU 24 2HD1 LEU 24 -0.399 3.586 -1.109 196 3HD1 LEU 24 3HD1 LEU 24 0.042 2.203 -2.115 197 1HD2 LEU 24 1HD2 LEU 24 -1.193 5.787 -3.998 198 2HD2 LEU 24 2HD2 LEU 24 -0.990 5.794 -2.246 199 3HD2 LEU 24 3HD2 LEU 24 -2.294 4.858 -2.979 200 H THR 25 H THR 25 2.713 7.020 -2.456 201 HA THR 25 HA THR 25 5.273 6.792 -3.878 202 HB THR 25 HB THR 25 5.885 8.889 -2.620 203 HG1 THR 25 1HG THR 25 3.991 10.084 -1.830 204 1HG2 THR 25 1HG2 THR 25 5.183 8.996 -4.952 205 2HG2 THR 25 2HG2 THR 25 4.558 10.386 -4.064 206 3HG2 THR 25 3HG2 THR 25 3.489 9.039 -4.460 207 H ASP 26 H ASP 26 7.124 7.427 -2.114 208 HA ASP 26 HA ASP 26 7.193 5.195 -0.324 209 1HB ASP 26 2HB ASP 26 9.222 6.118 -1.453 210 2HB ASP 26 1HB ASP 26 9.087 7.550 -0.438 211 H ASP 27 H ASP 27 6.945 8.712 0.069 212 HA ASP 27 HA ASP 27 6.732 8.892 2.840 213 1HB ASP 27 2HB ASP 27 6.834 10.913 1.590 214 2HB ASP 27 1HB ASP 27 5.423 10.485 0.630 215 H ASP 28 H ASP 28 4.365 8.092 0.430 216 HA ASP 28 HA ASP 28 1.991 8.133 1.895 217 1HB ASP 28 2HB ASP 28 2.052 7.973 -0.490 218 2HB ASP 28 1HB ASP 28 2.967 6.507 -0.441 219 H MET 29 H MET 29 4.195 5.539 1.136 220 HA MET 29 HA MET 29 2.577 3.637 2.543 221 1HB MET 29 2HB MET 29 3.943 3.547 0.279 222 2HB MET 29 1HB MET 29 5.196 2.957 1.353 223 1HG MET 29 2HG MET 29 3.862 1.128 2.036 224 2HG MET 29 1HG MET 29 2.436 1.822 1.261 225 1HE MET 29 1HE MET 29 3.514 2.881 -1.449 226 2HE MET 29 2HE MET 29 2.035 1.930 -1.300 227 3HE MET 29 3HE MET 29 3.247 1.495 -2.505 228 H THR 30 H THR 30 5.360 5.543 3.200 229 HA THR 30 HA THR 30 6.331 4.023 5.399 230 HB THR 30 HB THR 30 6.541 6.974 4.765 231 HG1 THR 30 1HG THR 30 8.428 6.429 3.846 232 1HG2 THR 30 1HG2 THR 30 7.947 5.391 6.922 233 2HG2 THR 30 2HG2 THR 30 6.787 6.697 7.168 234 3HG2 THR 30 3HG2 THR 30 8.356 7.038 6.439 235 H ILE 31 H ILE 31 3.847 6.472 4.976 236 HA ILE 31 HA ILE 31 3.197 6.741 7.745 237 HB ILE 31 HB ILE 31 1.408 7.294 5.367 238 1HG1 ILE 31 2HG1 ILE 31 3.571 8.448 5.131 239 2HG1 ILE 31 1HG1 ILE 31 2.264 9.587 5.407 240 1HG2 ILE 31 1HG2 ILE 31 0.357 8.931 6.878 241 2HG2 ILE 31 2HG2 ILE 31 1.408 8.377 8.180 242 3HG2 ILE 31 3HG2 ILE 31 0.222 7.277 7.475 243 1HD1 ILE 31 1HD1 ILE 31 4.236 10.207 6.648 244 2HD1 ILE 31 2HD1 ILE 31 4.256 8.633 7.444 245 3HD1 ILE 31 3HD1 ILE 31 2.934 9.760 7.751 246 H ILE 32 H ILE 32 2.272 4.598 5.151 247 HA ILE 32 HA ILE 32 0.033 3.446 6.532 248 HB ILE 32 HB ILE 32 1.558 2.269 4.198 249 1HG1 ILE 32 2HG1 ILE 32 -0.866 4.080 4.211 250 2HG1 ILE 32 1HG1 ILE 32 0.744 4.503 3.632 251 1HG2 ILE 32 1HG2 ILE 32 -0.564 1.086 3.758 252 2HG2 ILE 32 2HG2 ILE 32 -1.223 1.759 5.248 253 3HG2 ILE 32 3HG2 ILE 32 0.145 0.648 5.315 254 1HD1 ILE 32 1HD1 ILE 32 0.556 2.812 1.887 255 2HD1 ILE 32 2HD1 ILE 32 -0.745 3.998 1.791 256 3HD1 ILE 32 3HD1 ILE 32 -1.058 2.398 2.466 257 H GLU 33 H GLU 33 3.156 2.053 5.514 258 HA GLU 33 HA GLU 33 4.543 0.522 6.413 259 1HB GLU 33 2HB GLU 33 4.411 2.028 8.398 260 2HB GLU 33 1HB GLU 33 3.102 1.028 9.015 261 1HG GLU 33 2HG GLU 33 4.691 -0.911 8.933 262 2HG GLU 33 1HG GLU 33 5.968 0.258 8.595 263 H GLY 34 H GLY 34 1.406 0.072 8.024 264 1HA GLY 34 2HA GLY 34 0.792 -2.326 6.643 265 2HA GLY 34 1HA GLY 34 1.444 -2.696 8.234 266 H LYS 35 H LYS 35 -0.417 0.199 7.616 267 HA LYS 35 HA LYS 35 -2.484 -0.823 9.419 268 1HB LYS 35 2HB LYS 35 -2.461 1.973 8.336 269 2HB LYS 35 1HB LYS 35 -3.121 1.381 9.852 270 1HG LYS 35 2HG LYS 35 -0.211 1.750 9.187 271 2HG LYS 35 1HG LYS 35 -1.188 2.766 10.243 272 1HD LYS 35 2HD LYS 35 -1.470 0.905 11.790 273 2HD LYS 35 1HD LYS 35 -0.537 -0.143 10.716 274 1HE LYS 35 2HE LYS 35 1.377 1.441 10.956 275 2HE LYS 35 1HE LYS 35 0.441 2.313 12.167 276 1HZ LYS 35 1HZ LYS 35 2.024 0.729 13.130 277 2HZ LYS 35 2HZ LYS 35 1.215 -0.545 12.362 278 3HZ LYS 35 3HZ LYS 35 0.423 0.367 13.555 279 H ARG 36 H ARG 36 -4.428 -1.406 8.701 280 HA ARG 36 HA ARG 36 -4.991 -1.637 5.944 281 1HB ARG 36 2HB ARG 36 -5.885 -3.055 7.845 282 2HB ARG 36 1HB ARG 36 -6.973 -1.734 8.227 283 1HG ARG 36 2HG ARG 36 -6.984 -2.853 5.471 284 2HG ARG 36 1HG ARG 36 -7.746 -3.763 6.772 285 1HD ARG 36 2HD ARG 36 -8.981 -1.575 7.310 286 2HD ARG 36 1HD ARG 36 -8.455 -1.045 5.710 287 HE ARG 36 HE ARG 36 -9.583 -3.518 5.312 288 1HH1 ARG 36 1HH1 ARG 36 -10.691 -0.463 6.658 289 2HH1 ARG 36 2HH1 ARG 36 -12.352 -0.745 6.227 290 1HH2 ARG 36 1HH2 ARG 36 -11.748 -3.864 4.734 291 2HH2 ARG 36 2HH2 ARG 36 -12.962 -2.678 5.125 292 H ASP 37 H ASP 37 -6.171 0.544 8.457 293 HA ASP 37 HA ASP 37 -7.945 2.070 6.925 294 1HB ASP 37 2HB ASP 37 -7.997 2.228 9.307 295 2HB ASP 37 1HB ASP 37 -6.312 2.730 9.373 296 H GLN 38 H GLN 38 -4.473 2.344 7.362 297 HA GLN 38 HA GLN 38 -4.200 4.944 6.307 298 1HB GLN 38 2HB GLN 38 -2.364 2.735 7.000 299 2HB GLN 38 1HB GLN 38 -1.759 3.927 5.856 300 1HG GLN 38 2HG GLN 38 -2.905 4.575 8.562 301 2HG GLN 38 1HG GLN 38 -1.185 4.435 8.198 302 1HE2 GLN 38 1HE2 GLN 38 -2.770 6.736 9.135 303 2HE2 GLN 38 2HE2 GLN 38 -2.486 7.988 7.983 304 H LEU 39 H LEU 39 -3.793 1.735 4.761 305 HA LEU 39 HA LEU 39 -3.014 2.835 2.279 306 1HB LEU 39 2HB LEU 39 -2.620 0.470 2.799 307 2HB LEU 39 1HB LEU 39 -4.351 0.172 2.774 308 HG LEU 39 HG LEU 39 -4.461 0.702 0.411 309 1HD1 LEU 39 1HD1 LEU 39 -2.466 1.220 -0.882 310 2HD1 LEU 39 2HD1 LEU 39 -1.504 1.227 0.597 311 3HD1 LEU 39 3HD1 LEU 39 -2.762 2.440 0.358 312 1HD2 LEU 39 1HD2 LEU 39 -3.904 -1.597 0.945 313 2HD2 LEU 39 2HD2 LEU 39 -2.188 -1.184 0.980 314 3HD2 LEU 39 3HD2 LEU 39 -3.089 -1.077 -0.535 315 H VAL 40 H VAL 40 -6.186 1.932 3.582 316 HA VAL 40 HA VAL 40 -7.774 2.420 1.369 317 HB VAL 40 HB VAL 40 -8.376 3.085 4.264 318 1HG1 VAL 40 1HG1 VAL 40 -10.270 2.831 1.928 319 2HG1 VAL 40 2HG1 VAL 40 -9.858 4.326 2.769 320 3HG1 VAL 40 3HG1 VAL 40 -10.734 3.050 3.616 321 1HG2 VAL 40 1HG2 VAL 40 -7.902 0.729 3.895 322 2HG2 VAL 40 2HG2 VAL 40 -9.069 0.688 2.572 323 3HG2 VAL 40 3HG2 VAL 40 -9.619 0.967 4.224 324 H GLY 41 H GLY 41 -6.668 4.741 3.825 325 1HA GLY 41 2HA GLY 41 -7.807 7.030 2.653 326 2HA GLY 41 1HA GLY 41 -6.456 7.028 3.772 327 H LYS 42 H LYS 42 -4.498 5.718 2.338 328 HA LYS 42 HA LYS 42 -3.485 7.771 0.733 329 1HB LYS 42 2HB LYS 42 -2.716 4.885 1.034 330 2HB LYS 42 1HB LYS 42 -1.877 5.928 -0.094 331 1HG LYS 42 2HG LYS 42 -1.968 6.088 2.900 332 2HG LYS 42 1HG LYS 42 -0.567 5.955 1.825 333 1HD LYS 42 2HD LYS 42 -0.975 8.208 1.002 334 2HD LYS 42 1HD LYS 42 -2.357 8.358 2.079 335 1HE LYS 42 2HE LYS 42 -0.706 7.786 3.949 336 2HE LYS 42 1HE LYS 42 0.547 8.148 2.768 337 1HZ LYS 42 1HZ LYS 42 -1.471 9.973 3.922 338 2HZ LYS 42 2HZ LYS 42 -0.693 10.340 2.469 339 3HZ LYS 42 3HZ LYS 42 0.219 10.146 3.883 340 H ILE 43 H ILE 43 -4.982 4.686 -0.231 341 HA ILE 43 HA ILE 43 -4.795 4.992 -3.000 342 HB ILE 43 HB ILE 43 -7.020 3.710 -1.386 343 1HG1 ILE 43 2HG1 ILE 43 -4.594 2.518 -2.743 344 2HG1 ILE 43 1HG1 ILE 43 -4.774 2.769 -1.007 345 1HG2 ILE 43 1HG2 ILE 43 -7.786 4.188 -3.650 346 2HG2 ILE 43 2HG2 ILE 43 -7.561 2.452 -3.417 347 3HG2 ILE 43 3HG2 ILE 43 -6.359 3.388 -4.308 348 1HD1 ILE 43 1HD1 ILE 43 -6.420 0.930 -2.731 349 2HD1 ILE 43 2HD1 ILE 43 -6.674 1.209 -1.009 350 3HD1 ILE 43 3HD1 ILE 43 -5.179 0.459 -1.569 351 H GLN 44 H GLN 44 -7.247 6.258 -0.764 352 HA GLN 44 HA GLN 44 -8.922 7.389 -2.764 353 1HB GLN 44 2HB GLN 44 -8.623 8.221 0.128 354 2HB GLN 44 1HB GLN 44 -9.966 8.622 -0.931 355 1HG GLN 44 2HG GLN 44 -10.572 6.259 -1.062 356 2HG GLN 44 1HG GLN 44 -9.212 5.854 -0.021 357 1HE2 GLN 44 1HE2 GLN 44 -11.191 8.704 0.428 358 2HE2 GLN 44 2HE2 GLN 44 -11.931 8.181 1.898 359 H GLU 45 H GLU 45 -5.976 8.412 -1.286 360 HA GLU 45 HA GLU 45 -6.355 11.223 -1.895 361 1HB GLU 45 2HB GLU 45 -4.011 9.673 -0.798 362 2HB GLU 45 1HB GLU 45 -3.936 11.392 -1.149 363 1HG GLU 45 2HG GLU 45 -5.801 11.737 0.452 364 2HG GLU 45 1HG GLU 45 -5.691 10.025 0.870 365 H ARG 46 H ARG 46 -4.540 8.503 -3.174 366 HA ARG 46 HA ARG 46 -2.920 10.177 -4.864 367 1HB ARG 46 2HB ARG 46 -3.033 7.285 -4.188 368 2HB ARG 46 1HB ARG 46 -2.241 7.732 -5.688 369 1HG ARG 46 2HG ARG 46 -0.686 7.545 -3.789 370 2HG ARG 46 1HG ARG 46 -0.700 9.157 -4.504 371 1HD ARG 46 2HD ARG 46 -2.010 10.022 -2.725 372 2HD ARG 46 1HD ARG 46 -2.344 8.412 -2.102 373 HE ARG 46 HE ARG 46 0.001 8.274 -1.463 374 1HH1 ARG 46 1HH1 ARG 46 -1.319 11.453 -2.128 375 2HH1 ARG 46 2HH1 ARG 46 -0.176 12.286 -1.124 376 1HH2 ARG 46 1HH2 ARG 46 1.506 9.360 -0.151 377 2HH2 ARG 46 2HH2 ARG 46 1.434 11.089 0.018 378 H TYR 47 H TYR 47 -5.473 7.763 -5.458 379 HA TYR 47 HA TYR 47 -5.535 8.602 -8.262 380 1HB TYR 47 2HB TYR 47 -7.071 6.457 -6.795 381 2HB TYR 47 1HB TYR 47 -7.256 6.818 -8.506 382 HD1 TYR 47 1HD TYR 47 -5.142 5.302 -5.967 383 HD2 TYR 47 2HD TYR 47 -5.494 6.267 -10.090 384 HE1 TYR 47 1HE TYR 47 -3.310 3.765 -6.474 385 HE2 TYR 47 2HE TYR 47 -3.661 4.723 -10.615 386 HH TYR 47 HH TYR 47 -2.565 2.402 -8.576 387 H GLY 48 H GLY 48 -7.328 8.777 -5.314 388 1HA GLY 48 2HA GLY 48 -8.989 10.368 -4.788 389 2HA GLY 48 1HA GLY 48 -9.151 10.726 -6.504 390 H TYR 49 H TYR 49 -9.265 7.609 -4.852 391 HA TYR 49 HA TYR 49 -11.693 6.914 -6.258 392 1HB TYR 49 2HB TYR 49 -9.931 5.419 -4.322 393 2HB TYR 49 1HB TYR 49 -11.432 4.754 -4.950 394 HD1 TYR 49 1HD TYR 49 -8.238 4.148 -5.224 395 HD2 TYR 49 2HD TYR 49 -11.341 5.550 -7.771 396 HE1 TYR 49 1HE TYR 49 -7.044 3.236 -7.171 397 HE2 TYR 49 2HE TYR 49 -10.151 4.649 -9.728 398 HH TYR 49 HH TYR 49 -7.899 4.001 -10.388 399 H GLN 50 H GLN 50 -13.558 6.070 -5.175 400 HA GLN 50 HA GLN 50 -14.368 7.503 -2.843 401 1HB GLN 50 2HB GLN 50 -15.610 5.186 -4.332 402 2HB GLN 50 1HB GLN 50 -16.370 5.981 -2.962 403 1HG GLN 50 2HG GLN 50 -15.619 7.334 -5.543 404 2HG GLN 50 1HG GLN 50 -17.233 6.757 -5.127 405 1HE2 GLN 50 1HE2 GLN 50 -18.400 7.805 -3.505 406 2HE2 GLN 50 2HE2 GLN 50 -18.000 9.415 -2.995 407 H LYS 51 H LYS 51 -14.670 6.681 -0.736 408 HA LYS 51 HA LYS 51 -12.765 4.888 0.220 409 1HB LYS 51 2HB LYS 51 -14.109 6.577 1.558 410 2HB LYS 51 1HB LYS 51 -15.423 5.408 1.557 411 1HG LYS 51 2HG LYS 51 -13.953 3.788 2.678 412 2HG LYS 51 1HG LYS 51 -12.678 5.001 2.726 413 1HD LYS 51 2HD LYS 51 -13.738 5.017 4.855 414 2HD LYS 51 1HD LYS 51 -14.261 6.473 4.006 415 1HE LYS 51 2HE LYS 51 -16.207 5.607 4.985 416 2HE LYS 51 1HE LYS 51 -16.297 5.133 3.290 417 1HZ LYS 51 1HZ LYS 51 -16.902 3.347 4.854 418 2HZ LYS 51 2HZ LYS 51 -15.322 3.363 5.468 419 3HZ LYS 51 3HZ LYS 51 -15.603 2.929 3.849 420 H ASP 52 H ASP 52 -16.006 4.370 -0.947 421 HA ASP 52 HA ASP 52 -16.503 1.761 -0.130 422 1HB ASP 52 2HB ASP 52 -18.189 3.118 -1.247 423 2HB ASP 52 1HB ASP 52 -17.234 3.149 -2.721 424 H GLN 53 H GLN 53 -14.967 2.894 -3.125 425 HA GLN 53 HA GLN 53 -14.372 0.264 -4.040 426 1HB GLN 53 2HB GLN 53 -14.734 2.098 -5.602 427 2HB GLN 53 1HB GLN 53 -13.363 2.965 -4.933 428 1HG GLN 53 2HG GLN 53 -11.817 1.471 -5.849 429 2HG GLN 53 1HG GLN 53 -13.047 0.245 -6.150 430 1HE2 GLN 53 1HE2 GLN 53 -14.343 0.398 -7.940 431 2HE2 GLN 53 2HE2 GLN 53 -14.004 1.494 -9.238 432 H ALA 54 H ALA 54 -12.640 2.750 -2.274 433 HA ALA 54 HA ALA 54 -10.055 1.678 -2.456 434 1HB ALA 54 1HB ALA 54 -10.580 3.938 -1.609 435 2HB ALA 54 2HB ALA 54 -9.519 3.032 -0.529 436 3HB ALA 54 3HB ALA 54 -11.231 3.211 -0.142 437 H GLU 55 H GLU 55 -12.606 1.164 -0.022 438 HA GLU 55 HA GLU 55 -11.177 -0.635 1.587 439 1HB GLU 55 2HB GLU 55 -14.156 -0.419 1.110 440 2HB GLU 55 1HB GLU 55 -13.416 -1.359 2.399 441 1HG GLU 55 2HG GLU 55 -12.489 0.641 3.379 442 2HG GLU 55 1HG GLU 55 -13.113 1.613 2.047 443 H LYS 56 H LYS 56 -13.197 -1.162 -1.262 444 HA LYS 56 HA LYS 56 -13.227 -3.967 -1.208 445 1HB LYS 56 2HB LYS 56 -13.402 -1.998 -3.484 446 2HB LYS 56 1HB LYS 56 -13.562 -3.731 -3.721 447 1HG LYS 56 2HG LYS 56 -15.504 -3.767 -2.250 448 2HG LYS 56 1HG LYS 56 -15.334 -2.030 -1.977 449 1HD LYS 56 2HD LYS 56 -15.819 -1.544 -4.260 450 2HD LYS 56 1HD LYS 56 -15.714 -3.247 -4.708 451 1HE LYS 56 2HE LYS 56 -18.030 -2.553 -4.593 452 2HE LYS 56 1HE LYS 56 -17.678 -3.720 -3.320 453 1HZ LYS 56 1HZ LYS 56 -17.894 -0.771 -3.000 454 2HZ LYS 56 2HZ LYS 56 -17.458 -1.853 -1.763 455 3HZ LYS 56 3HZ LYS 56 -18.999 -1.935 -2.455 456 H GLU 57 H GLU 57 -11.073 -1.752 -2.975 457 HA GLU 57 HA GLU 57 -9.486 -3.801 -4.078 458 1HB GLU 57 2HB GLU 57 -8.947 -0.865 -3.692 459 2HB GLU 57 1HB GLU 57 -7.888 -1.942 -4.593 460 1HG GLU 57 2HG GLU 57 -10.759 -1.304 -5.236 461 2HG GLU 57 1HG GLU 57 -9.335 -0.739 -6.112 462 H VAL 58 H VAL 58 -9.217 -1.981 -1.074 463 HA VAL 58 HA VAL 58 -6.620 -2.845 -0.393 464 HB VAL 58 HB VAL 58 -8.920 -1.962 1.354 465 1HG1 VAL 58 1HG1 VAL 58 -7.352 -1.845 3.215 466 2HG1 VAL 58 2HG1 VAL 58 -6.078 -2.531 2.205 467 3HG1 VAL 58 3HG1 VAL 58 -7.488 -3.503 2.628 468 1HG2 VAL 58 1HG2 VAL 58 -7.527 0.042 1.643 469 2HG2 VAL 58 2HG2 VAL 58 -7.946 -0.238 -0.047 470 3HG2 VAL 58 3HG2 VAL 58 -6.333 -0.642 0.540 471 H VAL 59 H VAL 59 -9.796 -4.128 0.650 472 HA VAL 59 HA VAL 59 -8.804 -6.202 2.226 473 HB VAL 59 HB VAL 59 -11.408 -6.083 0.696 474 1HG1 VAL 59 1HG1 VAL 59 -10.834 -8.394 1.299 475 2HG1 VAL 59 2HG1 VAL 59 -12.211 -7.807 2.232 476 3HG1 VAL 59 3HG1 VAL 59 -10.615 -7.896 2.975 477 1HG2 VAL 59 1HG2 VAL 59 -12.347 -5.424 2.863 478 2HG2 VAL 59 2HG2 VAL 59 -11.128 -4.278 2.303 479 3HG2 VAL 59 3HG2 VAL 59 -10.729 -5.448 3.563 480 H ASP 60 H ASP 60 -9.570 -6.166 -1.216 481 HA ASP 60 HA ASP 60 -9.260 -8.890 -1.761 482 1HB ASP 60 2HB ASP 60 -10.247 -7.421 -3.391 483 2HB ASP 60 1HB ASP 60 -8.776 -6.461 -3.494 484 H TRP 61 H TRP 61 -6.883 -6.316 -2.412 485 HA TRP 61 HA TRP 61 -4.806 -8.129 -3.014 486 1HB TRP 61 2HB TRP 61 -4.803 -5.901 -3.931 487 2HB TRP 61 1HB TRP 61 -4.761 -5.190 -2.321 488 HD1 TRP 61 HD TRP 61 -2.508 -6.946 -4.877 489 HE1 TRP 61 1HE TRP 61 -0.057 -6.516 -4.207 490 HE3 TRP 61 3HE TRP 61 -3.290 -4.708 -0.356 491 HZ2 TRP 61 2HZ TRP 61 1.346 -5.384 -2.040 492 HZ3 TRP 61 3HZ TRP 61 -1.343 -3.981 0.952 493 HH2 TRP 61 HH TRP 61 0.924 -4.314 0.123 494 H GLU 62 H GLU 62 -5.771 -6.497 -0.054 495 HA GLU 62 HA GLU 62 -3.583 -7.008 1.567 496 1HB GLU 62 2HB GLU 62 -5.192 -5.705 2.598 497 2HB GLU 62 1HB GLU 62 -6.517 -6.728 2.065 498 1HG GLU 62 2HG GLU 62 -6.016 -8.365 3.714 499 2HG GLU 62 1HG GLU 62 -4.516 -7.555 4.144 500 H THR 63 H THR 63 -6.441 -9.046 1.068 501 HA THR 63 HA THR 63 -5.627 -11.125 2.762 502 HB THR 63 HB THR 63 -7.453 -11.342 0.370 503 HG1 THR 63 1HG THR 63 -8.388 -9.759 1.521 504 1HG2 THR 63 1HG2 THR 63 -8.563 -13.092 1.698 505 2HG2 THR 63 2HG2 THR 63 -7.343 -12.899 2.957 506 3HG2 THR 63 3HG2 THR 63 -6.877 -13.496 1.365 507 H ARG 64 H ARG 64 -4.849 -10.410 -0.574 508 HA ARG 64 HA ARG 64 -3.875 -12.927 -1.375 509 1HB ARG 64 2HB ARG 64 -2.689 -10.265 -2.186 510 2HB ARG 64 1HB ARG 64 -2.645 -11.770 -3.091 511 1HG ARG 64 2HG ARG 64 -5.128 -10.178 -2.496 512 2HG ARG 64 1HG ARG 64 -4.227 -10.140 -4.013 513 1HD ARG 64 2HD ARG 64 -4.702 -12.473 -4.398 514 2HD ARG 64 1HD ARG 64 -5.476 -12.602 -2.819 515 HE ARG 64 HE ARG 64 -6.935 -10.678 -3.975 516 1HH1 ARG 64 1HH1 ARG 64 -5.953 -13.834 -5.139 517 2HH1 ARG 64 2HH1 ARG 64 -7.340 -14.019 -6.172 518 1HH2 ARG 64 1HH2 ARG 64 -8.736 -10.906 -5.319 519 2HH2 ARG 64 2HH2 ARG 64 -8.913 -12.342 -6.296 520 H ASN 65 H ASN 65 -2.347 -10.317 0.448 521 HA ASN 65 HA ASN 65 0.195 -11.789 0.399 522 1HB ASN 65 2HB ASN 65 -0.393 -8.868 0.849 523 2HB ASN 65 1HB ASN 65 1.214 -9.584 0.989 524 1HD2 ASN 65 1HD2 ASN 65 -1.415 -8.834 -1.193 525 2HD2 ASN 65 2HD2 ASN 65 -0.518 -9.020 -2.659 526 H GLU 66 H GLU 66 -1.781 -9.838 2.614 527 HA GLU 66 HA GLU 66 -2.706 -10.569 4.588 528 1HB GLU 66 2HB GLU 66 -0.690 -12.795 4.382 529 2HB GLU 66 1HB GLU 66 -1.723 -12.574 5.789 530 1HG GLU 66 2HG GLU 66 -2.823 -12.856 3.010 531 2HG GLU 66 1HG GLU 66 -2.493 -14.242 4.049 532 H TYR 67 H TYR 67 0.278 -9.321 4.036 533 HA TYR 67 HA TYR 67 1.165 -9.269 6.789 534 1HB TYR 67 2HB TYR 67 2.475 -9.041 4.375 535 2HB TYR 67 1HB TYR 67 2.451 -7.379 4.954 536 HD1 TYR 67 1HD TYR 67 4.019 -10.570 5.209 537 HD2 TYR 67 2HD TYR 67 3.358 -6.930 7.310 538 HE1 TYR 67 1HE TYR 67 5.923 -11.081 6.672 539 HE2 TYR 67 2HE TYR 67 5.268 -7.429 8.783 540 HH TYR 67 HH TYR 67 6.517 -9.472 9.565 541 H ARG 68 H ARG 68 -0.467 -8.202 7.904 542 HA ARG 68 HA ARG 68 -0.358 -5.327 7.769 543 1HB ARG 68 2HB ARG 68 -2.060 -5.792 6.057 544 2HB ARG 68 1HB ARG 68 -2.989 -6.725 7.222 545 1HG ARG 68 2HG ARG 68 -2.351 -3.926 7.948 546 2HG ARG 68 1HG ARG 68 -3.515 -4.177 6.646 547 1HD ARG 68 2HD ARG 68 -3.735 -5.525 9.332 548 2HD ARG 68 1HD ARG 68 -4.480 -3.966 8.974 549 HE ARG 68 HE ARG 68 -5.280 -5.705 6.965 550 1HH1 ARG 68 1HH1 ARG 68 -5.690 -5.420 10.455 551 2HH1 ARG 68 2HH1 ARG 68 -7.233 -6.221 10.449 552 1HH2 ARG 68 1HH2 ARG 68 -7.283 -6.752 6.973 553 2HH2 ARG 68 2HH2 ARG 68 -8.135 -7.007 8.474 554 H TRP 69 H TRP 69 -1.807 -8.209 9.190 555 HA TRP 69 HA TRP 69 -2.784 -6.844 11.496 556 1HB TRP 69 2HB TRP 69 -3.236 -9.323 10.341 557 2HB TRP 69 1HB TRP 69 -2.392 -9.710 11.839 558 HD1 TRP 69 HD TRP 69 -3.540 -8.050 14.008 559 HE1 TRP 69 1HE TRP 69 -6.045 -7.962 14.600 560 HE3 TRP 69 3HE TRP 69 -5.474 -9.746 9.587 561 HZ2 TRP 69 2HZ TRP 69 -8.511 -8.552 13.356 562 HZ3 TRP 69 3HZ TRP 69 -7.916 -9.962 9.374 563 HH2 TRP 69 HH TRP 69 -9.400 -9.377 11.219 Start of MODEL 7 1 1H MET 1 1HT MET 1 1.665 -17.141 10.308 2 2H MET 1 2HT MET 1 1.920 -18.692 10.952 3 3H MET 1 3HT MET 1 1.083 -17.530 11.854 4 HA MET 1 HA MET 1 0.177 -18.709 9.296 5 1HB MET 1 2HB MET 1 0.107 -20.292 11.187 6 2HB MET 1 1HB MET 1 -0.837 -19.135 12.115 7 1HG MET 1 2HG MET 1 -2.690 -19.339 10.631 8 2HG MET 1 1HG MET 1 -1.741 -20.292 9.492 9 1HE MET 1 1HE MET 1 -0.976 -22.769 9.895 10 2HE MET 1 2HE MET 1 -1.229 -23.644 11.404 11 3HE MET 1 3HE MET 1 -0.138 -22.259 11.361 12 H ASN 2 H ASN 2 -0.532 -16.579 12.045 13 HA ASN 2 HA ASN 2 -2.853 -15.423 10.858 14 1HB ASN 2 2HB ASN 2 -2.693 -13.733 12.616 15 2HB ASN 2 1HB ASN 2 -2.429 -15.331 13.305 16 1HD2 ASN 2 1HD2 ASN 2 -1.564 -12.557 14.116 17 2HD2 ASN 2 2HD2 ASN 2 0.146 -12.695 14.355 18 H LYS 3 H LYS 3 -2.970 -13.106 10.176 19 HA LYS 3 HA LYS 3 -0.869 -12.310 8.456 20 1HB LYS 3 2HB LYS 3 -2.079 -10.058 8.502 21 2HB LYS 3 1HB LYS 3 -2.998 -11.436 7.919 22 1HG LYS 3 2HG LYS 3 -4.001 -11.613 10.214 23 2HG LYS 3 1HG LYS 3 -3.216 -10.081 10.596 24 1HD LYS 3 2HD LYS 3 -4.927 -10.266 8.152 25 2HD LYS 3 1HD LYS 3 -5.700 -10.155 9.733 26 1HE LYS 3 2HE LYS 3 -5.496 -7.945 8.793 27 2HE LYS 3 1HE LYS 3 -4.420 -8.086 10.178 28 1HZ LYS 3 1HZ LYS 3 -2.595 -8.488 8.600 29 2HZ LYS 3 2HZ LYS 3 -3.299 -6.964 8.432 30 3HZ LYS 3 3HZ LYS 3 -3.654 -8.187 7.305 31 H ASP 4 H ASP 4 1.055 -11.597 9.036 32 HA ASP 4 HA ASP 4 1.456 -10.918 11.843 33 1HB ASP 4 2HB ASP 4 2.801 -12.693 10.503 34 2HB ASP 4 1HB ASP 4 3.668 -11.310 9.843 35 H GLU 5 H GLU 5 3.231 -9.278 12.270 36 HA GLU 5 HA GLU 5 2.292 -6.817 11.075 37 1HB GLU 5 2HB GLU 5 3.543 -5.724 12.871 38 2HB GLU 5 1HB GLU 5 2.487 -6.978 13.505 39 1HG GLU 5 2HG GLU 5 4.355 -8.481 13.767 40 2HG GLU 5 1HG GLU 5 5.436 -7.312 13.009 41 H ALA 6 H ALA 6 3.733 -5.142 10.394 42 HA ALA 6 HA ALA 6 5.698 -5.984 8.566 43 1HB ALA 6 1HB ALA 6 5.214 -3.227 9.683 44 2HB ALA 6 2HB ALA 6 4.396 -3.939 8.290 45 3HB ALA 6 3HB ALA 6 6.129 -3.616 8.227 46 H GLY 7 H GLY 7 7.555 -6.871 9.151 47 1HA GLY 7 2HA GLY 7 9.342 -5.344 10.884 48 2HA GLY 7 1HA GLY 7 8.996 -7.004 11.353 49 H GLY 8 H GLY 8 10.677 -4.936 9.135 50 1HA GLY 8 2HA GLY 8 12.643 -5.441 7.973 51 2HA GLY 8 1HA GLY 8 12.415 -7.140 8.369 52 H ASN 9 H ASN 9 9.584 -5.900 7.260 53 HA ASN 9 HA ASN 9 9.930 -7.233 4.667 54 1HB ASN 9 2HB ASN 9 7.499 -7.463 4.683 55 2HB ASN 9 1HB ASN 9 8.161 -8.073 6.200 56 1HD2 ASN 9 1HD2 ASN 9 5.481 -7.059 5.588 57 2HD2 ASN 9 2HD2 ASN 9 5.208 -5.764 6.698 58 H TRP 10 H TRP 10 10.218 -4.230 5.775 59 HA TRP 10 HA TRP 10 8.206 -2.752 4.539 60 1HB TRP 10 2HB TRP 10 9.725 -1.926 6.350 61 2HB TRP 10 1HB TRP 10 10.986 -1.747 5.128 62 HD1 TRP 10 HD TRP 10 11.123 0.861 4.984 63 HE1 TRP 10 1HE TRP 10 9.460 2.697 4.277 64 HE3 TRP 10 3HE TRP 10 6.869 -1.953 4.785 65 HZ2 TRP 10 2HZ TRP 10 6.695 2.901 3.703 66 HZ3 TRP 10 3HZ TRP 10 4.759 -0.871 4.145 67 HH2 TRP 10 HH TRP 10 4.678 1.503 3.617 68 H LYS 11 H LYS 11 11.527 -3.387 3.410 69 HA LYS 11 HA LYS 11 11.240 -2.026 0.943 70 1HB LYS 11 2HB LYS 11 13.417 -2.630 1.932 71 2HB LYS 11 1HB LYS 11 13.065 -4.331 1.670 72 1HG LYS 11 2HG LYS 11 13.092 -3.991 -0.733 73 2HG LYS 11 1HG LYS 11 13.368 -2.262 -0.499 74 1HD LYS 11 2HD LYS 11 15.491 -2.732 0.593 75 2HD LYS 11 1HD LYS 11 15.206 -4.465 0.431 76 1HE LYS 11 2HE LYS 11 15.255 -4.262 -1.990 77 2HE LYS 11 1HE LYS 11 15.476 -2.519 -1.855 78 1HZ LYS 11 1HZ LYS 11 17.573 -3.625 -2.266 79 2HZ LYS 11 2HZ LYS 11 17.379 -4.589 -0.891 80 3HZ LYS 11 3HZ LYS 11 17.588 -2.917 -0.727 81 H GLN 12 H GLN 12 10.190 -5.072 2.068 82 HA GLN 12 HA GLN 12 9.958 -6.415 -0.438 83 1HB GLN 12 2HB GLN 12 10.254 -7.546 1.749 84 2HB GLN 12 1HB GLN 12 8.661 -6.995 2.232 85 1HG GLN 12 2HG GLN 12 7.688 -8.314 0.385 86 2HG GLN 12 1HG GLN 12 9.301 -8.927 0.017 87 1HE2 GLN 12 1HE2 GLN 12 8.806 -11.058 0.493 88 2HE2 GLN 12 2HE2 GLN 12 8.492 -11.612 2.107 89 H PHE 13 H PHE 13 7.609 -4.852 1.771 90 HA PHE 13 HA PHE 13 5.464 -5.412 -0.088 91 1HB PHE 13 2HB PHE 13 5.558 -4.237 2.662 92 2HB PHE 13 1HB PHE 13 4.091 -4.121 1.674 93 HD1 PHE 13 1HD PHE 13 3.339 -6.271 0.537 94 HD2 PHE 13 2HD PHE 13 5.919 -6.083 3.883 95 HE1 PHE 13 1HE PHE 13 2.910 -8.625 0.967 96 HE2 PHE 13 2HE PHE 13 5.492 -8.450 4.355 97 HZ PHE 13 HZ PHE 13 3.975 -9.750 2.899 98 H LYS 14 H LYS 14 7.363 -2.691 0.854 99 HA LYS 14 HA LYS 14 5.800 -0.691 -0.317 100 1HB LYS 14 2HB LYS 14 7.903 -0.331 1.034 101 2HB LYS 14 1HB LYS 14 8.807 -0.750 -0.403 102 1HG LYS 14 2HG LYS 14 8.083 1.155 -1.563 103 2HG LYS 14 1HG LYS 14 6.819 1.482 -0.376 104 1HD LYS 14 2HD LYS 14 8.732 3.003 -0.125 105 2HD LYS 14 1HD LYS 14 8.495 1.997 1.304 106 1HE LYS 14 2HE LYS 14 10.267 0.485 0.497 107 2HE LYS 14 1HE LYS 14 10.525 1.551 -0.883 108 1HZ LYS 14 1HZ LYS 14 10.899 2.284 1.974 109 2HZ LYS 14 2HZ LYS 14 11.115 3.327 0.660 110 3HZ LYS 14 3HZ LYS 14 12.131 1.979 0.851 111 H GLY 15 H GLY 15 8.007 -3.025 -1.737 112 1HA GLY 15 2HA GLY 15 7.788 -2.088 -4.408 113 2HA GLY 15 1HA GLY 15 8.284 -3.698 -3.918 114 H LYS 16 H LYS 16 6.055 -4.665 -2.646 115 HA LYS 16 HA LYS 16 4.530 -5.502 -4.865 116 1HB LYS 16 2HB LYS 16 4.415 -5.996 -1.938 117 2HB LYS 16 1HB LYS 16 2.973 -6.359 -2.876 118 1HG LYS 16 2HG LYS 16 4.255 -8.354 -2.703 119 2HG LYS 16 1HG LYS 16 4.380 -7.779 -4.365 120 1HD LYS 16 2HD LYS 16 6.557 -6.684 -3.679 121 2HD LYS 16 1HD LYS 16 6.437 -7.597 -2.177 122 1HE LYS 16 2HE LYS 16 7.826 -8.851 -3.633 123 2HE LYS 16 1HE LYS 16 6.272 -9.680 -3.567 124 1HZ LYS 16 1HZ LYS 16 6.865 -9.645 -5.813 125 2HZ LYS 16 2HZ LYS 16 7.375 -8.034 -5.767 126 3HZ LYS 16 3HZ LYS 16 5.724 -8.396 -5.676 127 H VAL 17 H VAL 17 3.705 -3.262 -2.218 128 HA VAL 17 HA VAL 17 1.100 -2.666 -3.066 129 HB VAL 17 HB VAL 17 3.083 -0.827 -1.708 130 1HG1 VAL 17 1HG1 VAL 17 1.115 0.456 -0.987 131 2HG1 VAL 17 2HG1 VAL 17 0.090 -0.563 -1.998 132 3HG1 VAL 17 3HG1 VAL 17 1.310 0.474 -2.739 133 1HG2 VAL 17 1HG2 VAL 17 1.890 -1.424 0.343 134 2HG2 VAL 17 2HG2 VAL 17 2.606 -2.843 -0.425 135 3HG2 VAL 17 3HG2 VAL 17 0.875 -2.538 -0.574 136 H LYS 18 H LYS 18 4.225 -1.341 -4.106 137 HA LYS 18 HA LYS 18 3.052 0.579 -5.870 138 1HB LYS 18 2HB LYS 18 5.856 -0.527 -5.672 139 2HB LYS 18 1HB LYS 18 5.391 0.734 -6.806 140 1HG LYS 18 2HG LYS 18 4.760 2.194 -4.979 141 2HG LYS 18 1HG LYS 18 5.120 0.921 -3.810 142 1HD LYS 18 2HD LYS 18 7.001 2.335 -3.788 143 2HD LYS 18 1HD LYS 18 7.484 0.938 -4.751 144 1HE LYS 18 2HE LYS 18 7.008 2.197 -6.796 145 2HE LYS 18 1HE LYS 18 6.536 3.591 -5.824 146 1HZ LYS 18 1HZ LYS 18 8.760 3.932 -6.518 147 2HZ LYS 18 2HZ LYS 18 9.233 2.374 -6.048 148 3HZ LYS 18 3HZ LYS 18 8.834 3.528 -4.871 149 H GLU 19 H GLU 19 3.522 -2.792 -6.082 150 HA GLU 19 HA GLU 19 3.471 -2.875 -8.975 151 1HB GLU 19 2HB GLU 19 3.046 -5.074 -6.943 152 2HB GLU 19 1HB GLU 19 3.150 -5.312 -8.681 153 1HG GLU 19 2HG GLU 19 5.449 -4.418 -8.628 154 2HG GLU 19 1HG GLU 19 5.332 -4.312 -6.870 155 H GLN 20 H GLN 20 1.209 -3.238 -6.304 156 HA GLN 20 HA GLN 20 -1.019 -3.903 -8.003 157 1HB GLN 20 2HB GLN 20 -0.583 -4.369 -5.416 158 2HB GLN 20 1HB GLN 20 -1.392 -2.823 -5.241 159 1HG GLN 20 2HG GLN 20 -2.529 -5.272 -6.577 160 2HG GLN 20 1HG GLN 20 -2.933 -4.683 -4.970 161 1HE2 GLN 20 1HE2 GLN 20 -4.196 -2.846 -4.760 162 2HE2 GLN 20 2HE2 GLN 20 -5.139 -2.208 -6.060 163 H TRP 21 H TRP 21 -0.258 -1.102 -5.938 164 HA TRP 21 HA TRP 21 -2.091 0.506 -7.539 165 1HB TRP 21 2HB TRP 21 -0.742 1.030 -4.882 166 2HB TRP 21 1HB TRP 21 -1.698 2.234 -5.729 167 HD1 TRP 21 HD TRP 21 -4.351 1.661 -6.056 168 HE1 TRP 21 1HE TRP 21 -5.940 0.276 -4.583 169 HE3 TRP 21 3HE TRP 21 -0.877 -0.908 -3.336 170 HZ2 TRP 21 2HZ TRP 21 -5.740 -1.643 -2.523 171 HZ3 TRP 21 3HZ TRP 21 -1.658 -2.499 -1.633 172 HH2 TRP 21 HH TRP 21 -4.040 -2.857 -1.236 173 H GLY 22 H GLY 22 0.972 1.432 -5.990 174 1HA GLY 22 2HA GLY 22 2.984 2.007 -7.043 175 2HA GLY 22 1HA GLY 22 2.175 1.899 -8.599 176 H LYS 23 H LYS 23 -0.022 3.627 -7.410 177 HA LYS 23 HA LYS 23 0.972 6.156 -8.236 178 1HB LYS 23 2HB LYS 23 -1.521 5.013 -7.864 179 2HB LYS 23 1HB LYS 23 -1.438 6.197 -6.569 180 1HG LYS 23 2HG LYS 23 -0.885 6.858 -9.444 181 2HG LYS 23 1HG LYS 23 -2.480 6.986 -8.705 182 1HD LYS 23 2HD LYS 23 -1.684 8.613 -7.134 183 2HD LYS 23 1HD LYS 23 -0.027 8.406 -7.685 184 1HE LYS 23 2HE LYS 23 -0.841 10.413 -8.657 185 2HE LYS 23 1HE LYS 23 -0.789 9.206 -9.940 186 1HZ LYS 23 1HZ LYS 23 -2.841 10.544 -9.928 187 2HZ LYS 23 2HZ LYS 23 -3.227 9.916 -8.405 188 3HZ LYS 23 3HZ LYS 23 -3.142 8.885 -9.748 189 H LEU 24 H LEU 24 0.950 4.439 -5.301 190 HA LEU 24 HA LEU 24 1.245 6.702 -3.549 191 1HB LEU 24 2HB LEU 24 1.541 3.735 -3.158 192 2HB LEU 24 1HB LEU 24 1.753 4.891 -1.865 193 HG LEU 24 HG LEU 24 -0.782 4.436 -3.437 194 1HD1 LEU 24 1HD1 LEU 24 -0.046 3.736 -0.603 195 2HD1 LEU 24 2HD1 LEU 24 -0.295 2.601 -1.931 196 3HD1 LEU 24 3HD1 LEU 24 -1.646 3.558 -1.322 197 1HD2 LEU 24 1HD2 LEU 24 -0.424 6.778 -2.687 198 2HD2 LEU 24 2HD2 LEU 24 -0.328 6.186 -1.028 199 3HD2 LEU 24 3HD2 LEU 24 -1.821 5.998 -1.949 200 H THR 25 H THR 25 3.120 7.324 -2.458 201 HA THR 25 HA THR 25 5.599 6.515 -3.815 202 HB THR 25 HB THR 25 6.577 8.624 -3.067 203 HG1 THR 25 1HG THR 25 4.014 9.083 -1.867 204 1HG2 THR 25 1HG2 THR 25 5.398 8.626 -5.198 205 2HG2 THR 25 2HG2 THR 25 5.206 10.179 -4.382 206 3HG2 THR 25 3HG2 THR 25 3.886 9.012 -4.375 207 H ASP 26 H ASP 26 7.503 7.272 -2.085 208 HA ASP 26 HA ASP 26 7.644 5.107 -0.306 209 1HB ASP 26 2HB ASP 26 9.611 6.256 -1.260 210 2HB ASP 26 1HB ASP 26 9.244 7.678 -0.290 211 H ASP 27 H ASP 27 6.910 8.530 0.233 212 HA ASP 27 HA ASP 27 6.809 8.371 3.054 213 1HB ASP 27 2HB ASP 27 7.099 10.516 2.045 214 2HB ASP 27 1HB ASP 27 5.602 10.358 1.135 215 H ASP 28 H ASP 28 4.305 8.030 0.563 216 HA ASP 28 HA ASP 28 2.072 8.163 2.265 217 1HB ASP 28 2HB ASP 28 2.339 6.494 -0.246 218 2HB ASP 28 1HB ASP 28 0.840 6.931 0.538 219 H MET 29 H MET 29 3.883 5.390 1.031 220 HA MET 29 HA MET 29 2.279 3.519 2.405 221 1HB MET 29 2HB MET 29 4.186 3.318 0.432 222 2HB MET 29 1HB MET 29 4.982 2.613 1.827 223 1HG MET 29 2HG MET 29 2.977 1.191 2.178 224 2HG MET 29 1HG MET 29 2.346 1.814 0.653 225 1HE MET 29 1HE MET 29 4.890 2.054 -1.154 226 2HE MET 29 2HE MET 29 3.371 1.328 -1.685 227 3HE MET 29 3HE MET 29 4.891 0.472 -1.937 228 H THR 30 H THR 30 5.199 5.264 3.272 229 HA THR 30 HA THR 30 5.930 3.669 5.478 230 HB THR 30 HB THR 30 6.391 6.631 5.056 231 HG1 THR 30 1HG THR 30 7.341 5.434 3.402 232 1HG2 THR 30 1HG2 THR 30 6.726 5.976 7.389 233 2HG2 THR 30 2HG2 THR 30 8.267 6.344 6.612 234 3HG2 THR 30 3HG2 THR 30 7.788 4.667 6.877 235 H ILE 31 H ILE 31 3.564 6.232 5.093 236 HA ILE 31 HA ILE 31 2.934 6.418 7.882 237 HB ILE 31 HB ILE 31 0.968 7.084 5.705 238 1HG1 ILE 31 2HG1 ILE 31 3.360 8.769 6.521 239 2HG1 ILE 31 1HG1 ILE 31 3.076 8.049 4.943 240 1HG2 ILE 31 1HG2 ILE 31 0.323 8.854 7.262 241 2HG2 ILE 31 2HG2 ILE 31 1.604 8.355 8.366 242 3HG2 ILE 31 3HG2 ILE 31 0.256 7.269 8.032 243 1HD1 ILE 31 1HD1 ILE 31 1.103 9.461 4.659 244 2HD1 ILE 31 2HD1 ILE 31 2.567 10.408 4.913 245 3HD1 ILE 31 3HD1 ILE 31 1.413 10.200 6.230 246 H ILE 32 H ILE 32 2.044 4.362 5.238 247 HA ILE 32 HA ILE 32 -0.291 3.250 6.536 248 HB ILE 32 HB ILE 32 1.155 2.197 4.096 249 1HG1 ILE 32 2HG1 ILE 32 -1.203 4.089 4.219 250 2HG1 ILE 32 1HG1 ILE 32 0.446 4.565 3.827 251 1HG2 ILE 32 1HG2 ILE 32 -1.666 1.787 5.086 252 2HG2 ILE 32 2HG2 ILE 32 -0.365 0.597 5.123 253 3HG2 ILE 32 3HG2 ILE 32 -1.004 1.161 3.578 254 1HD1 ILE 32 1HD1 ILE 32 -1.271 2.667 2.247 255 2HD1 ILE 32 2HD1 ILE 32 0.378 3.148 1.847 256 3HD1 ILE 32 3HD1 ILE 32 -0.917 4.345 1.836 257 H GLU 33 H GLU 33 2.458 1.494 5.138 258 HA GLU 33 HA GLU 33 3.777 -0.221 5.843 259 1HB GLU 33 2HB GLU 33 4.394 1.312 7.638 260 2HB GLU 33 1HB GLU 33 2.998 0.816 8.580 261 1HG GLU 33 2HG GLU 33 3.941 -1.480 8.626 262 2HG GLU 33 1HG GLU 33 5.392 -0.835 7.861 263 H GLY 34 H GLY 34 1.031 -0.169 8.132 264 1HA GLY 34 2HA GLY 34 0.247 -2.792 7.113 265 2HA GLY 34 1HA GLY 34 0.646 -2.680 8.821 266 H LYS 35 H LYS 35 -0.566 0.238 8.200 267 HA LYS 35 HA LYS 35 -2.958 -0.337 9.627 268 1HB LYS 35 2HB LYS 35 -2.186 2.226 8.229 269 2HB LYS 35 1HB LYS 35 -3.394 2.044 9.493 270 1HG LYS 35 2HG LYS 35 -0.437 1.582 9.801 271 2HG LYS 35 1HG LYS 35 -1.330 2.999 10.354 272 1HD LYS 35 2HD LYS 35 -2.607 1.636 11.896 273 2HD LYS 35 1HD LYS 35 -1.840 0.171 11.280 274 1HE LYS 35 2HE LYS 35 -0.867 0.932 13.416 275 2HE LYS 35 1HE LYS 35 0.309 0.901 12.103 276 1HZ LYS 35 1HZ LYS 35 0.467 2.912 13.472 277 2HZ LYS 35 2HZ LYS 35 -1.121 3.329 13.041 278 3HZ LYS 35 3HZ LYS 35 0.093 3.269 11.858 279 H ARG 36 H ARG 36 -4.624 -1.313 8.721 280 HA ARG 36 HA ARG 36 -5.429 -1.391 6.086 281 1HB ARG 36 2HB ARG 36 -6.370 -2.757 7.918 282 2HB ARG 36 1HB ARG 36 -7.172 -1.338 8.562 283 1HG ARG 36 2HG ARG 36 -7.758 -2.189 5.769 284 2HG ARG 36 1HG ARG 36 -8.465 -3.084 7.114 285 1HD ARG 36 2HD ARG 36 -9.319 -0.880 7.986 286 2HD ARG 36 1HD ARG 36 -8.799 -0.163 6.461 287 HE ARG 36 HE ARG 36 -10.502 -2.462 6.136 288 1HH1 ARG 36 1HH1 ARG 36 -10.468 1.014 6.664 289 2HH1 ARG 36 2HH1 ARG 36 -12.027 1.255 5.945 290 1HH2 ARG 36 1HH2 ARG 36 -12.566 -2.134 5.216 291 2HH2 ARG 36 2HH2 ARG 36 -13.216 -0.515 5.123 292 H ASP 37 H ASP 37 -6.412 0.891 8.593 293 HA ASP 37 HA ASP 37 -8.118 2.534 7.188 294 1HB ASP 37 2HB ASP 37 -7.825 2.720 9.580 295 2HB ASP 37 1HB ASP 37 -6.147 3.211 9.377 296 H GLN 38 H GLN 38 -4.598 2.821 7.478 297 HA GLN 38 HA GLN 38 -4.395 5.322 6.236 298 1HB GLN 38 2HB GLN 38 -2.497 3.180 6.999 299 2HB GLN 38 1HB GLN 38 -1.942 4.358 5.820 300 1HG GLN 38 2HG GLN 38 -3.077 5.032 8.518 301 2HG GLN 38 1HG GLN 38 -1.359 4.968 8.121 302 1HE2 GLN 38 1HE2 GLN 38 -3.033 7.202 9.032 303 2HE2 GLN 38 2HE2 GLN 38 -2.839 8.443 7.838 304 H LEU 39 H LEU 39 -4.159 2.051 4.853 305 HA LEU 39 HA LEU 39 -3.379 3.012 2.291 306 1HB LEU 39 2HB LEU 39 -3.631 0.495 3.418 307 2HB LEU 39 1HB LEU 39 -4.890 0.525 2.196 308 HG LEU 39 HG LEU 39 -1.922 0.868 1.796 309 1HD1 LEU 39 1HD1 LEU 39 -3.947 -1.099 0.769 310 2HD1 LEU 39 2HD1 LEU 39 -2.591 -1.417 1.854 311 3HD1 LEU 39 3HD1 LEU 39 -2.294 -0.975 0.168 312 1HD2 LEU 39 1HD2 LEU 39 -2.381 1.245 -0.578 313 2HD2 LEU 39 2HD2 LEU 39 -3.015 2.548 0.429 314 3HD2 LEU 39 3HD2 LEU 39 -4.106 1.327 -0.228 315 H VAL 40 H VAL 40 -6.500 2.364 3.806 316 HA VAL 40 HA VAL 40 -8.132 2.719 1.552 317 HB VAL 40 HB VAL 40 -8.693 3.349 4.457 318 1HG1 VAL 40 1HG1 VAL 40 -10.617 3.255 2.131 319 2HG1 VAL 40 2HG1 VAL 40 -10.182 4.684 3.066 320 3HG1 VAL 40 3HG1 VAL 40 -11.076 3.368 3.830 321 1HG2 VAL 40 1HG2 VAL 40 -9.959 1.267 4.400 322 2HG2 VAL 40 2HG2 VAL 40 -8.275 0.991 3.952 323 3HG2 VAL 40 3HG2 VAL 40 -9.523 1.040 2.706 324 H GLY 41 H GLY 41 -6.952 5.070 3.940 325 1HA GLY 41 2HA GLY 41 -8.100 7.357 2.770 326 2HA GLY 41 1HA GLY 41 -6.682 7.345 3.808 327 H LYS 42 H LYS 42 -4.888 5.906 2.327 328 HA LYS 42 HA LYS 42 -3.913 7.885 0.597 329 1HB LYS 42 2HB LYS 42 -3.098 5.071 1.185 330 2HB LYS 42 1HB LYS 42 -2.330 5.945 -0.128 331 1HG LYS 42 2HG LYS 42 -2.352 6.686 2.787 332 2HG LYS 42 1HG LYS 42 -0.968 6.176 1.811 333 1HD LYS 42 2HD LYS 42 -1.181 8.191 0.446 334 2HD LYS 42 1HD LYS 42 -2.565 8.705 1.410 335 1HE LYS 42 2HE LYS 42 -1.193 8.915 3.368 336 2HE LYS 42 1HE LYS 42 0.194 8.237 2.513 337 1HZ LYS 42 1HZ LYS 42 -1.165 10.800 1.871 338 2HZ LYS 42 2HZ LYS 42 0.136 10.133 1.008 339 3HZ LYS 42 3HZ LYS 42 0.352 10.635 2.613 340 H ILE 43 H ILE 43 -5.446 4.749 -0.178 341 HA ILE 43 HA ILE 43 -5.199 4.893 -2.956 342 HB ILE 43 HB ILE 43 -7.428 3.698 -1.302 343 1HG1 ILE 43 2HG1 ILE 43 -5.163 2.354 -2.779 344 2HG1 ILE 43 1HG1 ILE 43 -5.113 2.747 -1.062 345 1HG2 ILE 43 1HG2 ILE 43 -6.874 3.372 -4.251 346 2HG2 ILE 43 2HG2 ILE 43 -8.278 4.159 -3.525 347 3HG2 ILE 43 3HG2 ILE 43 -8.032 2.424 -3.318 348 1HD1 ILE 43 1HD1 ILE 43 -7.029 1.293 -0.673 349 2HD1 ILE 43 2HD1 ILE 43 -5.702 0.418 -1.437 350 3HD1 ILE 43 3HD1 ILE 43 -7.097 0.916 -2.394 351 H GLN 44 H GLN 44 -7.782 6.133 -0.867 352 HA GLN 44 HA GLN 44 -9.497 7.109 -2.837 353 1HB GLN 44 2HB GLN 44 -8.996 8.156 -0.047 354 2HB GLN 44 1HB GLN 44 -10.332 8.663 -1.068 355 1HG GLN 44 2HG GLN 44 -11.226 6.406 -1.047 356 2HG GLN 44 1HG GLN 44 -9.852 5.863 -0.085 357 1HE2 GLN 44 1HE2 GLN 44 -9.717 6.426 2.057 358 2HE2 GLN 44 2HE2 GLN 44 -11.051 7.087 2.941 359 H GLU 45 H GLU 45 -6.756 8.675 -1.240 360 HA GLU 45 HA GLU 45 -7.442 11.184 -2.541 361 1HB GLU 45 2HB GLU 45 -5.335 10.586 -0.464 362 2HB GLU 45 1HB GLU 45 -5.772 12.187 -1.051 363 1HG GLU 45 2HG GLU 45 -8.039 11.885 -0.189 364 2HG GLU 45 1HG GLU 45 -7.596 10.287 0.405 365 H ARG 46 H ARG 46 -5.013 8.677 -2.795 366 HA ARG 46 HA ARG 46 -3.157 10.334 -4.227 367 1HB ARG 46 2HB ARG 46 -2.761 8.056 -2.908 368 2HB ARG 46 1HB ARG 46 -3.058 7.365 -4.501 369 1HG ARG 46 2HG ARG 46 -0.711 7.666 -4.239 370 2HG ARG 46 1HG ARG 46 -1.293 8.852 -5.407 371 1HD ARG 46 2HD ARG 46 -1.537 10.274 -3.143 372 2HD ARG 46 1HD ARG 46 -0.180 9.238 -2.709 373 HE ARG 46 HE ARG 46 -0.031 10.634 -5.260 374 1HH1 ARG 46 1HH1 ARG 46 1.047 10.404 -1.931 375 2HH1 ARG 46 2HH1 ARG 46 2.348 11.533 -2.161 376 1HH2 ARG 46 1HH2 ARG 46 1.670 12.118 -5.544 377 2HH2 ARG 46 2HH2 ARG 46 2.701 12.501 -4.193 378 H TYR 47 H TYR 47 -5.528 7.861 -5.152 379 HA TYR 47 HA TYR 47 -5.114 8.394 -7.985 380 1HB TYR 47 2HB TYR 47 -7.010 6.615 -6.463 381 2HB TYR 47 1HB TYR 47 -7.132 6.846 -8.200 382 HD1 TYR 47 1HD TYR 47 -5.506 5.905 -9.693 383 HD2 TYR 47 2HD TYR 47 -5.195 5.348 -5.491 384 HE1 TYR 47 1HE TYR 47 -3.919 4.074 -10.062 385 HE2 TYR 47 2HE TYR 47 -3.605 3.532 -5.843 386 HH TYR 47 HH TYR 47 -3.144 1.858 -7.788 387 H GLY 48 H GLY 48 -7.577 8.844 -5.541 388 1HA GLY 48 2HA GLY 48 -9.135 10.698 -5.595 389 2HA GLY 48 1HA GLY 48 -9.026 10.674 -7.352 390 H TYR 49 H TYR 49 -9.689 8.301 -4.796 391 HA TYR 49 HA TYR 49 -11.914 7.255 -6.425 392 1HB TYR 49 2HB TYR 49 -10.017 5.892 -4.527 393 2HB TYR 49 1HB TYR 49 -11.558 5.169 -4.959 394 HD1 TYR 49 1HD TYR 49 -11.670 5.852 -7.864 395 HD2 TYR 49 2HD TYR 49 -8.468 4.452 -5.442 396 HE1 TYR 49 1HE TYR 49 -10.653 4.785 -9.834 397 HE2 TYR 49 2HE TYR 49 -7.441 3.387 -7.405 398 HH TYR 49 HH TYR 49 -8.272 2.474 -9.625 399 H GLN 50 H GLN 50 -13.629 6.179 -5.147 400 HA GLN 50 HA GLN 50 -14.415 7.717 -2.828 401 1HB GLN 50 2HB GLN 50 -15.668 5.363 -4.256 402 2HB GLN 50 1HB GLN 50 -16.379 6.131 -2.844 403 1HG GLN 50 2HG GLN 50 -15.811 7.498 -5.461 404 2HG GLN 50 1HG GLN 50 -17.382 6.886 -4.946 405 1HE2 GLN 50 1HE2 GLN 50 -18.451 7.894 -3.232 406 2HE2 GLN 50 2HE2 GLN 50 -18.062 9.516 -2.741 407 H LYS 51 H LYS 51 -15.016 6.642 -0.801 408 HA LYS 51 HA LYS 51 -12.988 5.048 0.295 409 1HB LYS 51 2HB LYS 51 -14.620 6.493 1.545 410 2HB LYS 51 1HB LYS 51 -15.841 5.260 1.272 411 1HG LYS 51 2HG LYS 51 -14.472 3.649 2.521 412 2HG LYS 51 1HG LYS 51 -13.286 4.920 2.830 413 1HD LYS 51 2HD LYS 51 -14.692 4.744 4.755 414 2HD LYS 51 1HD LYS 51 -15.100 6.246 3.921 415 1HE LYS 51 2HE LYS 51 -17.184 5.344 4.408 416 2HE LYS 51 1HE LYS 51 -16.907 4.834 2.743 417 1HZ LYS 51 1HZ LYS 51 -16.195 2.669 3.556 418 2HZ LYS 51 2HZ LYS 51 -17.768 3.026 4.087 419 3HZ LYS 51 3HZ LYS 51 -16.463 3.162 5.157 420 H ASP 52 H ASP 52 -16.013 4.257 -1.228 421 HA ASP 52 HA ASP 52 -16.315 1.569 -0.577 422 1HB ASP 52 2HB ASP 52 -17.992 2.963 -1.761 423 2HB ASP 52 1HB ASP 52 -16.970 2.955 -3.191 424 H GLN 53 H GLN 53 -14.761 3.016 -3.402 425 HA GLN 53 HA GLN 53 -13.807 0.652 -4.561 426 1HB GLN 53 2HB GLN 53 -14.023 2.763 -5.777 427 2HB GLN 53 1HB GLN 53 -12.782 3.488 -4.770 428 1HG GLN 53 2HG GLN 53 -11.837 2.926 -6.893 429 2HG GLN 53 1HG GLN 53 -11.161 1.853 -5.669 430 1HE2 GLN 53 1HE2 GLN 53 -11.660 -0.307 -5.700 431 2HE2 GLN 53 2HE2 GLN 53 -12.433 -1.067 -7.050 432 H ALA 54 H ALA 54 -12.377 2.899 -2.250 433 HA ALA 54 HA ALA 54 -9.743 1.887 -2.387 434 1HB ALA 54 1HB ALA 54 -9.308 3.225 -0.430 435 2HB ALA 54 2HB ALA 54 -11.035 3.381 -0.114 436 3HB ALA 54 3HB ALA 54 -10.332 4.127 -1.549 437 H GLU 55 H GLU 55 -12.391 1.279 -0.067 438 HA GLU 55 HA GLU 55 -10.872 -0.353 1.647 439 1HB GLU 55 2HB GLU 55 -13.855 -0.307 1.180 440 2HB GLU 55 1HB GLU 55 -13.059 -1.136 2.512 441 1HG GLU 55 2HG GLU 55 -12.177 1.014 3.300 442 2HG GLU 55 1HG GLU 55 -13.026 1.827 1.986 443 H LYS 56 H LYS 56 -12.898 -1.118 -1.143 444 HA LYS 56 HA LYS 56 -12.829 -3.910 -0.882 445 1HB LYS 56 2HB LYS 56 -13.213 -2.126 -3.278 446 2HB LYS 56 1HB LYS 56 -13.344 -3.881 -3.363 447 1HG LYS 56 2HG LYS 56 -15.175 -3.892 -1.839 448 2HG LYS 56 1HG LYS 56 -14.961 -2.177 -1.490 449 1HD LYS 56 2HD LYS 56 -15.567 -1.621 -3.778 450 2HD LYS 56 1HD LYS 56 -15.736 -3.336 -4.165 451 1HE LYS 56 2HE LYS 56 -17.582 -3.566 -2.673 452 2HE LYS 56 1HE LYS 56 -17.319 -1.952 -2.011 453 1HZ LYS 56 1HZ LYS 56 -19.161 -1.999 -3.566 454 2HZ LYS 56 2HZ LYS 56 -18.141 -2.552 -4.804 455 3HZ LYS 56 3HZ LYS 56 -17.911 -1.002 -4.137 456 H GLU 57 H GLU 57 -10.606 -1.684 -2.525 457 HA GLU 57 HA GLU 57 -8.998 -3.775 -3.609 458 1HB GLU 57 2HB GLU 57 -8.452 -0.847 -3.159 459 2HB GLU 57 1HB GLU 57 -7.274 -1.940 -3.874 460 1HG GLU 57 2HG GLU 57 -9.071 -2.504 -5.582 461 2HG GLU 57 1HG GLU 57 -9.936 -1.097 -4.963 462 H VAL 58 H VAL 58 -8.901 -1.904 -0.625 463 HA VAL 58 HA VAL 58 -6.417 -2.805 0.319 464 HB VAL 58 HB VAL 58 -8.881 -1.966 1.863 465 1HG1 VAL 58 1HG1 VAL 58 -7.403 -1.694 3.801 466 2HG1 VAL 58 2HG1 VAL 58 -6.071 -2.395 2.882 467 3HG1 VAL 58 3HG1 VAL 58 -7.480 -3.377 3.279 468 1HG2 VAL 58 1HG2 VAL 58 -7.896 -0.230 0.449 469 2HG2 VAL 58 2HG2 VAL 58 -6.330 -0.494 1.213 470 3HG2 VAL 58 3HG2 VAL 58 -7.677 0.137 2.161 471 H VAL 59 H VAL 59 -9.701 -4.087 0.827 472 HA VAL 59 HA VAL 59 -8.994 -6.257 2.463 473 HB VAL 59 HB VAL 59 -11.322 -6.001 0.546 474 1HG1 VAL 59 1HG1 VAL 59 -10.919 -7.946 2.818 475 2HG1 VAL 59 2HG1 VAL 59 -10.920 -8.342 1.101 476 3HG1 VAL 59 3HG1 VAL 59 -12.396 -7.760 1.871 477 1HG2 VAL 59 1HG2 VAL 59 -11.138 -5.500 3.515 478 2HG2 VAL 59 2HG2 VAL 59 -12.596 -5.377 2.531 479 3HG2 VAL 59 3HG2 VAL 59 -11.254 -4.265 2.263 480 H ASP 60 H ASP 60 -9.242 -6.017 -1.053 481 HA ASP 60 HA ASP 60 -8.824 -8.763 -1.597 482 1HB ASP 60 2HB ASP 60 -9.802 -7.082 -3.187 483 2HB ASP 60 1HB ASP 60 -8.185 -6.421 -3.402 484 H TRP 61 H TRP 61 -6.581 -5.981 -1.669 485 HA TRP 61 HA TRP 61 -4.296 -7.511 -2.311 486 1HB TRP 61 2HB TRP 61 -4.396 -5.069 -2.609 487 2HB TRP 61 1HB TRP 61 -4.451 -4.857 -0.864 488 HD1 TRP 61 HD TRP 61 -2.055 -5.717 -3.704 489 HE1 TRP 61 1HE TRP 61 0.361 -5.529 -2.837 490 HE3 TRP 61 3HE TRP 61 -3.029 -5.055 1.272 491 HZ2 TRP 61 2HZ TRP 61 1.677 -5.170 -0.364 492 HZ3 TRP 61 3HZ TRP 61 -1.137 -4.805 2.821 493 HH2 TRP 61 HH TRP 61 1.167 -4.861 2.018 494 H GLU 62 H GLU 62 -5.812 -6.646 0.731 495 HA GLU 62 HA GLU 62 -3.868 -7.418 2.551 496 1HB GLU 62 2HB GLU 62 -5.897 -6.324 3.279 497 2HB GLU 62 1HB GLU 62 -6.879 -7.661 2.702 498 1HG GLU 62 2HG GLU 62 -6.758 -7.815 5.065 499 2HG GLU 62 1HG GLU 62 -5.774 -9.114 4.396 500 H THR 63 H THR 63 -6.396 -9.419 1.023 501 HA THR 63 HA THR 63 -5.551 -11.765 2.402 502 HB THR 63 HB THR 63 -7.881 -11.317 1.495 503 HG1 THR 63 1HG THR 63 -6.439 -13.660 1.544 504 1HG2 THR 63 1HG2 THR 63 -8.357 -12.083 -0.779 505 2HG2 THR 63 2HG2 THR 63 -6.632 -12.321 -1.064 506 3HG2 THR 63 3HG2 THR 63 -7.266 -10.698 -0.793 507 H ARG 64 H ARG 64 -4.506 -10.201 -0.485 508 HA ARG 64 HA ARG 64 -3.390 -12.480 -1.781 509 1HB ARG 64 2HB ARG 64 -2.651 -9.563 -1.961 510 2HB ARG 64 1HB ARG 64 -2.035 -10.811 -3.030 511 1HG ARG 64 2HG ARG 64 -4.353 -11.225 -3.796 512 2HG ARG 64 1HG ARG 64 -4.885 -9.870 -2.790 513 1HD ARG 64 2HD ARG 64 -3.214 -8.448 -4.021 514 2HD ARG 64 1HD ARG 64 -2.987 -9.798 -5.129 515 HE ARG 64 HE ARG 64 -5.714 -8.821 -4.767 516 1HH1 ARG 64 1HH1 ARG 64 -2.818 -8.924 -6.758 517 2HH1 ARG 64 2HH1 ARG 64 -3.629 -8.294 -8.160 518 1HH2 ARG 64 1HH2 ARG 64 -6.748 -7.995 -6.588 519 2HH2 ARG 64 2HH2 ARG 64 -5.864 -7.772 -8.075 520 H ASN 65 H ASN 65 -2.087 -10.069 0.461 521 HA ASN 65 HA ASN 65 0.489 -11.490 0.455 522 1HB ASN 65 2HB ASN 65 -0.207 -8.670 1.293 523 2HB ASN 65 1HB ASN 65 1.385 -9.395 1.486 524 1HD2 ASN 65 1HD2 ASN 65 -0.989 -8.276 -0.817 525 2HD2 ASN 65 2HD2 ASN 65 0.094 -8.156 -2.158 526 H GLU 66 H GLU 66 -1.553 -9.707 2.712 527 HA GLU 66 HA GLU 66 -2.452 -10.254 4.715 528 1HB GLU 66 2HB GLU 66 -0.995 -12.885 4.466 529 2HB GLU 66 1HB GLU 66 -2.152 -12.477 5.726 530 1HG GLU 66 2HG GLU 66 -3.842 -12.109 3.905 531 2HG GLU 66 1HG GLU 66 -2.671 -12.805 2.788 532 H TYR 67 H TYR 67 0.962 -11.174 4.394 533 HA TYR 67 HA TYR 67 1.681 -10.422 7.026 534 1HB TYR 67 2HB TYR 67 3.075 -11.756 5.314 535 2HB TYR 67 1HB TYR 67 3.504 -10.194 4.627 536 HD1 TYR 67 1HD TYR 67 4.755 -8.550 6.013 537 HD2 TYR 67 2HD TYR 67 4.103 -12.541 7.309 538 HE1 TYR 67 1HE TYR 67 6.538 -8.288 7.672 539 HE2 TYR 67 2HE TYR 67 5.890 -12.295 8.979 540 HH TYR 67 HH TYR 67 7.129 -9.355 9.910 541 H ARG 68 H ARG 68 1.304 -8.454 7.818 542 HA ARG 68 HA ARG 68 1.998 -6.026 6.500 543 1HB ARG 68 2HB ARG 68 0.073 -6.674 5.114 544 2HB ARG 68 1HB ARG 68 -0.917 -6.849 6.552 545 1HG ARG 68 2HG ARG 68 -0.615 -4.422 6.977 546 2HG ARG 68 1HG ARG 68 0.214 -4.304 5.421 547 1HD ARG 68 2HD ARG 68 -1.799 -5.237 4.328 548 2HD ARG 68 1HD ARG 68 -2.618 -5.226 5.887 549 HE ARG 68 HE ARG 68 -1.562 -2.675 5.029 550 1HH1 ARG 68 1HH1 ARG 68 -4.321 -4.826 5.179 551 2HH1 ARG 68 2HH1 ARG 68 -5.471 -3.577 4.808 552 1HH2 ARG 68 1HH2 ARG 68 -3.081 -1.016 4.554 553 2HH2 ARG 68 2HH2 ARG 68 -4.764 -1.406 4.458 554 H TRP 69 H TRP 69 -0.870 -6.803 8.358 555 HA TRP 69 HA TRP 69 0.009 -6.599 10.941 556 1HB TRP 69 2HB TRP 69 0.602 -4.218 10.265 557 2HB TRP 69 1HB TRP 69 -1.124 -3.928 10.064 558 HD1 TRP 69 HD TRP 69 1.077 -5.411 12.914 559 HE1 TRP 69 1HE TRP 69 0.279 -4.397 15.144 560 HE3 TRP 69 3HE TRP 69 -2.695 -2.451 11.142 561 HZ2 TRP 69 2HZ TRP 69 -1.693 -2.580 16.026 562 HZ3 TRP 69 3HZ TRP 69 -3.986 -1.105 12.746 563 HH2 TRP 69 HH TRP 69 -3.495 -1.168 15.133 Start of MODEL 8 1 1H MET 1 1HT MET 1 -3.492 -13.473 13.224 2 2H MET 1 2HT MET 1 -3.221 -13.888 11.600 3 3H MET 1 3HT MET 1 -3.438 -12.267 12.041 4 HA MET 1 HA MET 1 -1.211 -13.944 13.014 5 1HB MET 1 2HB MET 1 -1.298 -13.518 10.489 6 2HB MET 1 1HB MET 1 -1.058 -11.822 10.870 7 1HG MET 1 2HG MET 1 1.085 -12.250 11.793 8 2HG MET 1 1HG MET 1 0.827 -13.993 11.740 9 1HE MET 1 1HE MET 1 3.136 -14.365 10.527 10 2HE MET 1 2HE MET 1 3.455 -12.630 10.578 11 3HE MET 1 3HE MET 1 3.631 -13.513 9.064 12 H ASN 2 H ASN 2 0.181 -12.854 14.396 13 HA ASN 2 HA ASN 2 -0.960 -10.585 15.738 14 1HB ASN 2 2HB ASN 2 1.700 -11.957 16.194 15 2HB ASN 2 1HB ASN 2 0.956 -10.781 17.269 16 1HD2 ASN 2 1HD2 ASN 2 0.932 -14.046 16.126 17 2HD2 ASN 2 2HD2 ASN 2 -0.171 -14.667 17.312 18 H LYS 3 H LYS 3 -0.277 -8.472 15.678 19 HA LYS 3 HA LYS 3 0.790 -7.629 13.240 20 1HB LYS 3 2HB LYS 3 -0.695 -6.249 14.689 21 2HB LYS 3 1HB LYS 3 0.670 -5.978 15.768 22 1HG LYS 3 2HG LYS 3 0.536 -4.078 14.378 23 2HG LYS 3 1HG LYS 3 1.900 -5.027 13.780 24 1HD LYS 3 2HD LYS 3 -0.054 -6.069 12.271 25 2HD LYS 3 1HD LYS 3 -0.720 -4.456 12.526 26 1HE LYS 3 2HE LYS 3 0.549 -4.368 10.525 27 2HE LYS 3 1HE LYS 3 1.489 -3.537 11.762 28 1HZ LYS 3 1HZ LYS 3 2.783 -5.092 10.332 29 2HZ LYS 3 2HZ LYS 3 1.919 -6.382 11.008 30 3HZ LYS 3 3HZ LYS 3 2.910 -5.411 11.986 31 H ASP 4 H ASP 4 2.738 -7.694 12.499 32 HA ASP 4 HA ASP 4 5.055 -7.882 14.230 33 1HB ASP 4 2HB ASP 4 6.327 -8.220 12.220 34 2HB ASP 4 1HB ASP 4 4.841 -9.156 12.074 35 H GLU 5 H GLU 5 6.958 -6.510 13.842 36 HA GLU 5 HA GLU 5 6.232 -3.697 13.458 37 1HB GLU 5 2HB GLU 5 7.500 -4.289 15.481 38 2HB GLU 5 1HB GLU 5 8.782 -4.967 14.488 39 1HG GLU 5 2HG GLU 5 9.226 -2.760 13.548 40 2HG GLU 5 1HG GLU 5 7.932 -2.082 14.537 41 H ALA 6 H ALA 6 6.891 -2.554 11.709 42 HA ALA 6 HA ALA 6 7.735 -4.005 9.421 43 1HB ALA 6 1HB ALA 6 7.626 -1.878 8.258 44 2HB ALA 6 2HB ALA 6 7.518 -1.023 9.796 45 3HB ALA 6 3HB ALA 6 6.215 -2.097 9.290 46 H GLY 7 H GLY 7 9.727 -4.836 9.492 47 1HA GLY 7 2HA GLY 7 11.948 -2.989 9.196 48 2HA GLY 7 1HA GLY 7 12.050 -4.063 10.589 49 H GLY 8 H GLY 8 12.871 -3.719 7.386 50 1HA GLY 8 2HA GLY 8 14.005 -5.275 6.043 51 2HA GLY 8 1HA GLY 8 13.501 -6.559 7.138 52 H ASN 9 H ASN 9 10.902 -6.593 7.203 53 HA ASN 9 HA ASN 9 10.003 -7.404 4.640 54 1HB ASN 9 2HB ASN 9 7.789 -7.635 5.698 55 2HB ASN 9 1HB ASN 9 9.054 -8.377 6.668 56 1HD2 ASN 9 1HD2 ASN 9 6.436 -7.517 7.500 57 2HD2 ASN 9 2HD2 ASN 9 6.671 -6.356 8.762 58 H TRP 10 H TRP 10 10.203 -4.394 6.186 59 HA TRP 10 HA TRP 10 8.253 -2.864 4.930 60 1HB TRP 10 2HB TRP 10 9.720 -2.008 6.697 61 2HB TRP 10 1HB TRP 10 11.114 -2.156 5.638 62 HD1 TRP 10 HD TRP 10 11.017 -0.439 3.383 63 HE1 TRP 10 1HE TRP 10 10.197 2.005 3.303 64 HE3 TRP 10 3HE TRP 10 8.199 -0.389 7.644 65 HZ2 TRP 10 2HZ TRP 10 8.574 3.714 4.843 66 HZ3 TRP 10 3HZ TRP 10 7.051 1.691 8.273 67 HH2 TRP 10 HH TRP 10 7.236 3.700 6.902 68 H LYS 11 H LYS 11 11.522 -3.708 3.851 69 HA LYS 11 HA LYS 11 11.527 -2.259 1.456 70 1HB LYS 11 2HB LYS 11 13.586 -3.084 2.369 71 2HB LYS 11 1HB LYS 11 13.014 -4.744 2.319 72 1HG LYS 11 2HG LYS 11 12.935 -4.500 -0.199 73 2HG LYS 11 1HG LYS 11 13.824 -2.991 0.017 74 1HD LYS 11 2HD LYS 11 15.649 -4.160 1.073 75 2HD LYS 11 1HD LYS 11 14.744 -5.674 1.050 76 1HE LYS 11 2HE LYS 11 16.301 -5.758 -0.743 77 2HE LYS 11 1HE LYS 11 14.705 -5.509 -1.447 78 1HZ LYS 11 1HZ LYS 11 16.042 -4.020 -2.575 79 2HZ LYS 11 2HZ LYS 11 16.933 -3.595 -1.199 80 3HZ LYS 11 3HZ LYS 11 15.342 -3.038 -1.380 81 H GLN 12 H GLN 12 10.383 -5.518 2.195 82 HA GLN 12 HA GLN 12 10.051 -6.195 -0.585 83 1HB GLN 12 2HB GLN 12 10.568 -7.858 1.270 84 2HB GLN 12 1HB GLN 12 8.900 -7.675 1.777 85 1HG GLN 12 2HG GLN 12 9.260 -9.654 0.356 86 2HG GLN 12 1HG GLN 12 8.105 -8.514 -0.328 87 1HE2 GLN 12 1HE2 GLN 12 11.253 -9.944 -0.632 88 2HE2 GLN 12 2HE2 GLN 12 11.604 -9.328 -2.213 89 H PHE 13 H PHE 13 7.932 -5.462 2.152 90 HA PHE 13 HA PHE 13 5.589 -6.069 0.649 91 1HB PHE 13 2HB PHE 13 5.951 -6.252 3.189 92 2HB PHE 13 1HB PHE 13 5.590 -4.525 3.221 93 HD1 PHE 13 1HD PHE 13 3.409 -3.844 3.403 94 HD2 PHE 13 2HD PHE 13 4.270 -7.720 1.888 95 HE1 PHE 13 1HE PHE 13 1.004 -4.331 3.309 96 HE2 PHE 13 2HE PHE 13 1.868 -8.220 1.788 97 HZ PHE 13 HZ PHE 13 0.223 -6.529 2.505 98 H LYS 14 H LYS 14 7.211 -3.092 1.602 99 HA LYS 14 HA LYS 14 5.443 -1.164 0.729 100 1HB LYS 14 2HB LYS 14 7.699 -0.750 1.753 101 2HB LYS 14 1HB LYS 14 8.426 -1.161 0.207 102 1HG LYS 14 2HG LYS 14 7.252 0.719 -0.833 103 2HG LYS 14 1HG LYS 14 6.563 1.140 0.731 104 1HD LYS 14 2HD LYS 14 8.420 2.575 0.405 105 2HD LYS 14 1HD LYS 14 8.926 1.365 1.584 106 1HE LYS 14 2HE LYS 14 10.129 0.151 -0.108 107 2HE LYS 14 1HE LYS 14 9.514 1.218 -1.369 108 1HZ LYS 14 1HZ LYS 14 11.732 1.866 -0.831 109 2HZ LYS 14 2HZ LYS 14 11.379 1.947 0.822 110 3HZ LYS 14 3HZ LYS 14 10.687 3.069 -0.244 111 H GLY 15 H GLY 15 7.574 -3.228 -1.123 112 1HA GLY 15 2HA GLY 15 7.201 -2.048 -3.654 113 2HA GLY 15 1HA GLY 15 7.759 -3.687 -3.356 114 H LYS 16 H LYS 16 5.457 -4.644 -1.975 115 HA LYS 16 HA LYS 16 3.926 -5.450 -4.216 116 1HB LYS 16 2HB LYS 16 3.648 -5.888 -1.264 117 2HB LYS 16 1HB LYS 16 2.332 -6.335 -2.339 118 1HG LYS 16 2HG LYS 16 3.622 -8.279 -2.001 119 2HG LYS 16 1HG LYS 16 3.985 -7.710 -3.631 120 1HD LYS 16 2HD LYS 16 5.996 -6.553 -2.638 121 2HD LYS 16 1HD LYS 16 5.673 -7.451 -1.158 122 1HE LYS 16 2HE LYS 16 7.351 -8.578 -2.522 123 2HE LYS 16 1HE LYS 16 5.891 -9.553 -2.365 124 1HZ LYS 16 1HZ LYS 16 5.221 -8.916 -4.570 125 2HZ LYS 16 2HZ LYS 16 6.802 -9.516 -4.636 126 3HZ LYS 16 3HZ LYS 16 6.526 -7.846 -4.716 127 H VAL 17 H VAL 17 3.373 -3.056 -1.690 128 HA VAL 17 HA VAL 17 0.681 -2.493 -2.425 129 HB VAL 17 HB VAL 17 2.529 -0.457 -1.194 130 1HG1 VAL 17 1HG1 VAL 17 -0.422 -1.014 -0.901 131 2HG1 VAL 17 2HG1 VAL 17 0.319 0.328 -1.775 132 3HG1 VAL 17 3HG1 VAL 17 0.469 0.227 -0.021 133 1HG2 VAL 17 1HG2 VAL 17 2.912 -2.504 0.047 134 2HG2 VAL 17 2HG2 VAL 17 1.175 -2.739 0.240 135 3HG2 VAL 17 3HG2 VAL 17 1.970 -1.374 1.020 136 H LYS 18 H LYS 18 3.814 -1.265 -3.358 137 HA LYS 18 HA LYS 18 2.870 0.834 -5.041 138 1HB LYS 18 2HB LYS 18 5.256 0.176 -3.905 139 2HB LYS 18 1HB LYS 18 5.528 -0.346 -5.560 140 1HG LYS 18 2HG LYS 18 4.523 2.406 -4.917 141 2HG LYS 18 1HG LYS 18 6.242 2.013 -4.915 142 1HD LYS 18 2HD LYS 18 5.892 1.135 -7.270 143 2HD LYS 18 1HD LYS 18 4.309 1.918 -7.217 144 1HE LYS 18 2HE LYS 18 6.869 3.372 -6.623 145 2HE LYS 18 1HE LYS 18 6.208 3.254 -8.251 146 1HZ LYS 18 1HZ LYS 18 4.772 4.411 -5.924 147 2HZ LYS 18 2HZ LYS 18 4.253 4.411 -7.537 148 3HZ LYS 18 3HZ LYS 18 5.613 5.317 -7.086 149 H GLU 19 H GLU 19 3.396 -2.575 -5.409 150 HA GLU 19 HA GLU 19 3.375 -2.661 -8.256 151 1HB GLU 19 2HB GLU 19 2.789 -4.731 -6.138 152 2HB GLU 19 1HB GLU 19 2.662 -5.086 -7.854 153 1HG GLU 19 2HG GLU 19 5.019 -4.539 -8.151 154 2HG GLU 19 1HG GLU 19 5.152 -4.161 -6.433 155 H GLN 20 H GLN 20 0.903 -2.739 -5.755 156 HA GLN 20 HA GLN 20 -1.265 -3.175 -7.598 157 1HB GLN 20 2HB GLN 20 -1.292 -3.760 -5.116 158 2HB GLN 20 1HB GLN 20 -1.461 -2.039 -4.805 159 1HG GLN 20 2HG GLN 20 -3.475 -2.269 -6.478 160 2HG GLN 20 1HG GLN 20 -3.407 -3.956 -5.971 161 1HE2 GLN 20 1HE2 GLN 20 -5.527 -2.086 -5.501 162 2HE2 GLN 20 2HE2 GLN 20 -5.684 -1.930 -3.788 163 H TRP 21 H TRP 21 -0.371 -0.446 -5.507 164 HA TRP 21 HA TRP 21 -1.727 1.345 -7.388 165 1HB TRP 21 2HB TRP 21 -1.232 1.515 -4.431 166 2HB TRP 21 1HB TRP 21 -1.623 2.947 -5.365 167 HD1 TRP 21 HD TRP 21 -3.476 1.652 -3.070 168 HE1 TRP 21 1HE TRP 21 -5.909 1.049 -3.647 169 HE3 TRP 21 3HE TRP 21 -3.075 1.368 -8.162 170 HZ2 TRP 21 2HZ TRP 21 -7.453 0.528 -5.940 171 HZ3 TRP 21 3HZ TRP 21 -5.081 0.817 -9.473 172 HH2 TRP 21 HH TRP 21 -7.227 0.406 -8.382 173 H GLY 22 H GLY 22 -0.080 1.592 -8.807 174 1HA GLY 22 2HA GLY 22 2.602 2.117 -8.191 175 2HA GLY 22 1HA GLY 22 1.823 2.470 -9.723 176 H LYS 23 H LYS 23 -0.091 4.218 -7.950 177 HA LYS 23 HA LYS 23 1.303 6.660 -8.454 178 1HB LYS 23 2HB LYS 23 -1.371 5.885 -7.843 179 2HB LYS 23 1HB LYS 23 -0.891 7.135 -6.705 180 1HG LYS 23 2HG LYS 23 -0.026 8.350 -8.846 181 2HG LYS 23 1HG LYS 23 -1.153 7.268 -9.667 182 1HD LYS 23 2HD LYS 23 -2.952 8.074 -8.189 183 2HD LYS 23 1HD LYS 23 -1.814 9.197 -7.452 184 1HE LYS 23 2HE LYS 23 -3.172 10.317 -9.142 185 2HE LYS 23 1HE LYS 23 -1.470 10.296 -9.598 186 1HZ LYS 23 1HZ LYS 23 -2.866 9.769 -11.482 187 2HZ LYS 23 2HZ LYS 23 -3.580 8.483 -10.650 188 3HZ LYS 23 3HZ LYS 23 -1.940 8.412 -11.068 189 H LEU 24 H LEU 24 1.019 4.561 -5.737 190 HA LEU 24 HA LEU 24 1.445 6.527 -3.724 191 1HB LEU 24 2HB LEU 24 1.599 3.531 -3.739 192 2HB LEU 24 1HB LEU 24 1.972 4.476 -2.315 193 HG LEU 24 HG LEU 24 -0.679 4.357 -3.756 194 1HD1 LEU 24 1HD1 LEU 24 0.150 3.463 -0.998 195 2HD1 LEU 24 2HD1 LEU 24 -0.222 2.412 -2.366 196 3HD1 LEU 24 3HD1 LEU 24 -1.487 3.413 -1.652 197 1HD2 LEU 24 1HD2 LEU 24 0.153 6.005 -1.371 198 2HD2 LEU 24 2HD2 LEU 24 -1.499 5.824 -1.961 199 3HD2 LEU 24 3HD2 LEU 24 -0.285 6.614 -2.968 200 H THR 25 H THR 25 3.252 7.470 -3.126 201 HA THR 25 HA THR 25 5.761 6.486 -4.266 202 HB THR 25 HB THR 25 6.658 8.712 -3.773 203 HG1 THR 25 1HG THR 25 4.081 9.104 -2.601 204 1HG2 THR 25 1HG2 THR 25 5.532 8.379 -5.906 205 2HG2 THR 25 2HG2 THR 25 5.246 10.016 -5.314 206 3HG2 THR 25 3HG2 THR 25 3.983 8.792 -5.172 207 H ASP 26 H ASP 26 7.700 7.229 -2.681 208 HA ASP 26 HA ASP 26 7.648 5.260 -0.692 209 1HB ASP 26 2HB ASP 26 9.698 6.096 -1.820 210 2HB ASP 26 1HB ASP 26 9.571 7.581 -0.880 211 H ASP 27 H ASP 27 7.113 8.749 -0.477 212 HA ASP 27 HA ASP 27 7.072 8.992 2.315 213 1HB ASP 27 2HB ASP 27 7.046 10.961 0.914 214 2HB ASP 27 1HB ASP 27 5.493 10.508 0.225 215 H ASP 28 H ASP 28 4.477 8.221 0.025 216 HA ASP 28 HA ASP 28 2.357 8.069 1.855 217 1HB ASP 28 2HB ASP 28 2.721 6.389 -0.632 218 2HB ASP 28 1HB ASP 28 1.215 6.699 0.192 219 H MET 29 H MET 29 4.500 5.619 0.565 220 HA MET 29 HA MET 29 3.447 3.375 1.807 221 1HB MET 29 2HB MET 29 6.379 3.819 1.293 222 2HB MET 29 1HB MET 29 5.493 2.309 1.293 223 1HG MET 29 2HG MET 29 4.654 4.325 -0.682 224 2HG MET 29 1HG MET 29 6.228 3.575 -0.926 225 1HE MET 29 1HE MET 29 2.941 2.038 0.618 226 2HE MET 29 2HE MET 29 2.238 1.278 -0.808 227 3HE MET 29 3HE MET 29 2.365 3.036 -0.720 228 H THR 30 H THR 30 5.797 5.730 2.953 229 HA THR 30 HA THR 30 6.585 4.304 5.268 230 HB THR 30 HB THR 30 6.778 7.271 4.713 231 HG1 THR 30 1HG THR 30 7.893 6.178 3.120 232 1HG2 THR 30 1HG2 THR 30 7.116 6.727 7.077 233 2HG2 THR 30 2HG2 THR 30 8.632 7.222 6.323 234 3HG2 THR 30 3HG2 THR 30 8.317 5.515 6.633 235 H ILE 31 H ILE 31 4.055 6.691 4.648 236 HA ILE 31 HA ILE 31 3.437 7.113 7.407 237 HB ILE 31 HB ILE 31 1.448 7.550 5.196 238 1HG1 ILE 31 2HG1 ILE 31 3.825 9.314 5.874 239 2HG1 ILE 31 1HG1 ILE 31 3.475 8.544 4.332 240 1HG2 ILE 31 1HG2 ILE 31 0.695 7.888 7.480 241 2HG2 ILE 31 2HG2 ILE 31 0.771 9.429 6.627 242 3HG2 ILE 31 3HG2 ILE 31 2.035 8.996 7.777 243 1HD1 ILE 31 1HD1 ILE 31 1.828 10.701 5.620 244 2HD1 ILE 31 2HD1 ILE 31 1.498 9.931 4.069 245 3HD1 ILE 31 3HD1 ILE 31 2.950 10.912 4.275 246 H ILE 32 H ILE 32 2.289 4.948 4.887 247 HA ILE 32 HA ILE 32 0.054 3.926 6.322 248 HB ILE 32 HB ILE 32 1.617 2.508 4.148 249 1HG1 ILE 32 2HG1 ILE 32 -0.783 4.329 3.852 250 2HG1 ILE 32 1HG1 ILE 32 0.873 4.782 3.455 251 1HG2 ILE 32 1HG2 ILE 32 -0.507 1.350 3.724 252 2HG2 ILE 32 2HG2 ILE 32 -1.243 2.216 5.071 253 3HG2 ILE 32 3HG2 ILE 32 0.066 1.070 5.371 254 1HD1 ILE 32 1HD1 ILE 32 0.943 3.060 1.744 255 2HD1 ILE 32 2HD1 ILE 32 -0.404 4.167 1.474 256 3HD1 ILE 32 3HD1 ILE 32 -0.698 2.567 2.161 257 H GLU 33 H GLU 33 3.191 2.465 5.529 258 HA GLU 33 HA GLU 33 4.623 1.132 6.650 259 1HB GLU 33 2HB GLU 33 4.301 2.828 8.454 260 2HB GLU 33 1HB GLU 33 3.034 1.814 9.127 261 1HG GLU 33 2HG GLU 33 4.644 0.027 9.481 262 2HG GLU 33 1HG GLU 33 5.914 1.038 8.792 263 H GLY 34 H GLY 34 1.432 0.611 8.145 264 1HA GLY 34 2HA GLY 34 1.089 -1.962 7.017 265 2HA GLY 34 1HA GLY 34 1.700 -2.107 8.660 266 H LYS 35 H LYS 35 -0.370 0.494 7.589 267 HA LYS 35 HA LYS 35 -2.411 -0.429 9.489 268 1HB LYS 35 2HB LYS 35 -1.990 2.305 8.268 269 2HB LYS 35 1HB LYS 35 -3.219 1.895 9.454 270 1HG LYS 35 2HG LYS 35 -0.264 1.658 9.956 271 2HG LYS 35 1HG LYS 35 -1.227 3.077 10.365 272 1HD LYS 35 2HD LYS 35 -2.635 1.701 11.819 273 2HD LYS 35 1HD LYS 35 -1.670 0.284 11.403 274 1HE LYS 35 2HE LYS 35 -0.997 1.212 13.561 275 2HE LYS 35 1HE LYS 35 0.305 1.330 12.377 276 1HZ LYS 35 1HZ LYS 35 0.186 3.381 13.549 277 2HZ LYS 35 2HZ LYS 35 -1.487 3.514 13.295 278 3HZ LYS 35 3HZ LYS 35 -0.417 3.664 11.990 279 H ARG 36 H ARG 36 -4.349 -1.073 8.806 280 HA ARG 36 HA ARG 36 -4.922 -1.408 6.053 281 1HB ARG 36 2HB ARG 36 -5.762 -2.779 8.033 282 2HB ARG 36 1HB ARG 36 -6.915 -1.490 8.322 283 1HG ARG 36 2HG ARG 36 -6.799 -2.804 5.647 284 2HG ARG 36 1HG ARG 36 -7.613 -3.601 6.990 285 1HD ARG 36 2HD ARG 36 -8.905 -1.420 7.278 286 2HD ARG 36 1HD ARG 36 -8.274 -0.971 5.692 287 HE ARG 36 HE ARG 36 -9.466 -3.553 5.625 288 1HH1 ARG 36 1HH1 ARG 36 -10.297 -0.145 5.723 289 2HH1 ARG 36 2HH1 ARG 36 -11.812 -0.367 4.886 290 1HH2 ARG 36 1HH2 ARG 36 -11.456 -3.852 4.595 291 2HH2 ARG 36 2HH2 ARG 36 -12.485 -2.482 4.270 292 H ASP 37 H ASP 37 -6.159 0.815 8.519 293 HA ASP 37 HA ASP 37 -7.956 2.237 6.882 294 1HB ASP 37 2HB ASP 37 -8.069 2.408 9.299 295 2HB ASP 37 1HB ASP 37 -6.449 3.092 9.368 296 H GLN 38 H GLN 38 -4.529 2.691 7.561 297 HA GLN 38 HA GLN 38 -4.232 5.224 6.404 298 1HB GLN 38 2HB GLN 38 -2.497 3.210 7.479 299 2HB GLN 38 1HB GLN 38 -1.820 3.825 5.976 300 1HG GLN 38 2HG GLN 38 -2.596 5.432 8.400 301 2HG GLN 38 1HG GLN 38 -0.964 5.098 7.820 302 1HE2 GLN 38 1HE2 GLN 38 -3.829 6.980 7.381 303 2HE2 GLN 38 2HE2 GLN 38 -3.203 8.070 6.193 304 H LEU 39 H LEU 39 -3.977 1.983 4.936 305 HA LEU 39 HA LEU 39 -3.145 2.980 2.418 306 1HB LEU 39 2HB LEU 39 -2.868 0.608 3.003 307 2HB LEU 39 1HB LEU 39 -4.612 0.400 2.984 308 HG LEU 39 HG LEU 39 -4.687 0.884 0.597 309 1HD1 LEU 39 1HD1 LEU 39 -1.693 1.199 0.788 310 2HD1 LEU 39 2HD1 LEU 39 -2.854 2.498 0.516 311 3HD1 LEU 39 3HD1 LEU 39 -2.650 1.232 -0.696 312 1HD2 LEU 39 1HD2 LEU 39 -3.385 -1.026 -0.260 313 2HD2 LEU 39 2HD2 LEU 39 -4.320 -1.427 1.184 314 3HD2 LEU 39 3HD2 LEU 39 -2.580 -1.153 1.307 315 H VAL 40 H VAL 40 -6.349 2.210 3.760 316 HA VAL 40 HA VAL 40 -7.921 2.811 1.547 317 HB VAL 40 HB VAL 40 -8.504 3.413 4.459 318 1HG1 VAL 40 1HG1 VAL 40 -9.922 4.781 3.043 319 2HG1 VAL 40 2HG1 VAL 40 -10.869 3.490 3.783 320 3HG1 VAL 40 3HG1 VAL 40 -10.375 3.365 2.094 321 1HG2 VAL 40 1HG2 VAL 40 -8.135 1.046 3.984 322 2HG2 VAL 40 2HG2 VAL 40 -9.343 1.113 2.701 323 3HG2 VAL 40 3HG2 VAL 40 -9.825 1.361 4.379 324 H GLY 41 H GLY 41 -6.672 4.980 4.052 325 1HA GLY 41 2HA GLY 41 -7.597 7.403 3.028 326 2HA GLY 41 1HA GLY 41 -6.136 7.210 3.984 327 H LYS 42 H LYS 42 -4.419 5.877 2.458 328 HA LYS 42 HA LYS 42 -3.484 7.820 0.680 329 1HB LYS 42 2HB LYS 42 -2.721 4.986 1.222 330 2HB LYS 42 1HB LYS 42 -2.023 5.809 -0.164 331 1HG LYS 42 2HG LYS 42 -1.770 6.552 2.736 332 2HG LYS 42 1HG LYS 42 -0.492 6.053 1.615 333 1HD LYS 42 2HD LYS 42 -0.917 8.088 0.289 334 2HD LYS 42 1HD LYS 42 -2.093 8.604 1.497 335 1HE LYS 42 2HE LYS 42 -0.383 8.699 3.188 336 2HE LYS 42 1HE LYS 42 0.801 8.021 2.072 337 1HZ LYS 42 1HZ LYS 42 -0.563 10.642 1.738 338 2HZ LYS 42 2HZ LYS 42 0.601 9.978 0.694 339 3HZ LYS 42 3HZ LYS 42 1.033 10.427 2.272 340 H ILE 43 H ILE 43 -5.330 4.874 0.036 341 HA ILE 43 HA ILE 43 -5.187 4.949 -2.763 342 HB ILE 43 HB ILE 43 -7.475 3.997 -1.030 343 1HG1 ILE 43 2HG1 ILE 43 -5.215 2.463 -2.319 344 2HG1 ILE 43 1HG1 ILE 43 -5.298 2.883 -0.612 345 1HG2 ILE 43 1HG2 ILE 43 -6.868 3.396 -3.925 346 2HG2 ILE 43 2HG2 ILE 43 -8.203 4.383 -3.324 347 3HG2 ILE 43 3HG2 ILE 43 -8.147 2.659 -2.958 348 1HD1 ILE 43 1HD1 ILE 43 -5.957 0.588 -0.948 349 2HD1 ILE 43 2HD1 ILE 43 -7.193 1.079 -2.107 350 3HD1 ILE 43 3HD1 ILE 43 -7.345 1.534 -0.408 351 H GLN 44 H GLN 44 -7.487 6.459 -0.532 352 HA GLN 44 HA GLN 44 -9.069 7.630 -2.615 353 1HB GLN 44 2HB GLN 44 -9.013 8.249 0.340 354 2HB GLN 44 1HB GLN 44 -10.272 8.726 -0.790 355 1HG GLN 44 2HG GLN 44 -10.804 6.360 -1.172 356 2HG GLN 44 1HG GLN 44 -9.557 5.909 -0.013 357 1HE2 GLN 44 1HE2 GLN 44 -10.182 8.197 1.732 358 2HE2 GLN 44 2HE2 GLN 44 -11.649 7.770 2.541 359 H GLU 45 H GLU 45 -6.213 8.559 -0.950 360 HA GLU 45 HA GLU 45 -6.638 11.386 -1.558 361 1HB GLU 45 2HB GLU 45 -4.425 10.024 -0.019 362 2HB GLU 45 1HB GLU 45 -4.512 11.756 -0.310 363 1HG GLU 45 2HG GLU 45 -6.720 11.749 0.873 364 2HG GLU 45 1HG GLU 45 -6.403 10.071 1.311 365 H ARG 46 H ARG 46 -4.506 8.720 -2.447 366 HA ARG 46 HA ARG 46 -2.764 10.387 -3.982 367 1HB ARG 46 2HB ARG 46 -2.291 8.052 -2.890 368 2HB ARG 46 1HB ARG 46 -2.934 7.419 -4.399 369 1HG ARG 46 2HG ARG 46 -0.595 7.528 -4.646 370 2HG ARG 46 1HG ARG 46 -1.262 8.863 -5.593 371 1HD ARG 46 2HD ARG 46 -0.913 10.165 -3.326 372 2HD ARG 46 1HD ARG 46 0.277 8.901 -3.057 373 HE ARG 46 HE ARG 46 0.590 10.097 -5.622 374 1HH1 ARG 46 1HH1 ARG 46 1.310 10.465 -2.217 375 2HH1 ARG 46 2HH1 ARG 46 2.613 11.590 -2.478 376 1HH2 ARG 46 1HH2 ARG 46 2.320 11.556 -5.978 377 2HH2 ARG 46 2HH2 ARG 46 3.189 12.205 -4.617 378 H TYR 47 H TYR 47 -5.241 7.959 -4.858 379 HA TYR 47 HA TYR 47 -5.184 8.962 -7.615 380 1HB TYR 47 2HB TYR 47 -6.687 6.669 -6.353 381 2HB TYR 47 1HB TYR 47 -6.831 7.133 -8.036 382 HD1 TYR 47 1HD TYR 47 -5.144 6.577 -9.626 383 HD2 TYR 47 2HD TYR 47 -4.655 5.626 -5.514 384 HE1 TYR 47 1HE TYR 47 -3.322 5.040 -10.208 385 HE2 TYR 47 2HE TYR 47 -2.828 4.095 -6.077 386 HH TYR 47 HH TYR 47 -2.181 2.717 -8.210 387 H GLY 48 H GLY 48 -7.387 8.536 -4.905 388 1HA GLY 48 2HA GLY 48 -9.087 10.110 -4.333 389 2HA GLY 48 1HA GLY 48 -9.077 10.677 -5.997 390 H TYR 49 H TYR 49 -9.386 7.430 -4.592 391 HA TYR 49 HA TYR 49 -11.643 6.880 -6.334 392 1HB TYR 49 2HB TYR 49 -10.173 5.160 -4.336 393 2HB TYR 49 1HB TYR 49 -11.538 4.603 -5.293 394 HD1 TYR 49 1HD TYR 49 -8.172 4.361 -5.066 395 HD2 TYR 49 2HD TYR 49 -11.135 5.358 -7.947 396 HE1 TYR 49 1HE TYR 49 -6.641 3.693 -6.864 397 HE2 TYR 49 2HE TYR 49 -9.608 4.705 -9.758 398 HH TYR 49 HH TYR 49 -7.241 4.418 -10.158 399 H GLN 50 H GLN 50 -13.585 5.837 -5.437 400 HA GLN 50 HA GLN 50 -14.593 7.253 -3.150 401 1HB GLN 50 2HB GLN 50 -15.842 5.015 -4.758 402 2HB GLN 50 1HB GLN 50 -16.675 6.011 -3.572 403 1HG GLN 50 2HG GLN 50 -15.490 6.932 -6.183 404 2HG GLN 50 1HG GLN 50 -17.202 6.746 -5.811 405 1HE2 GLN 50 1HE2 GLN 50 -14.384 8.701 -5.442 406 2HE2 GLN 50 2HE2 GLN 50 -15.163 10.071 -4.721 407 H LYS 51 H LYS 51 -15.440 6.210 -1.250 408 HA LYS 51 HA LYS 51 -13.592 4.499 -0.023 409 1HB LYS 51 2HB LYS 51 -15.462 6.144 0.896 410 2HB LYS 51 1HB LYS 51 -16.393 4.658 0.989 411 1HG LYS 51 2HG LYS 51 -13.670 4.817 2.203 412 2HG LYS 51 1HG LYS 51 -15.062 5.476 3.045 413 1HD LYS 51 2HD LYS 51 -16.151 3.218 2.765 414 2HD LYS 51 1HD LYS 51 -14.575 2.627 2.225 415 1HE LYS 51 2HE LYS 51 -13.579 3.358 4.337 416 2HE LYS 51 1HE LYS 51 -15.149 3.953 4.874 417 1HZ LYS 51 1HZ LYS 51 -15.965 1.622 4.622 418 2HZ LYS 51 2HZ LYS 51 -14.820 1.849 5.853 419 3HZ LYS 51 3HZ LYS 51 -14.350 1.143 4.385 420 H ASP 52 H ASP 52 -16.532 3.885 -1.762 421 HA ASP 52 HA ASP 52 -17.054 1.223 -1.159 422 1HB ASP 52 2HB ASP 52 -18.491 2.627 -2.580 423 2HB ASP 52 1HB ASP 52 -17.260 2.631 -3.831 424 H GLN 53 H GLN 53 -14.994 2.550 -3.722 425 HA GLN 53 HA GLN 53 -14.118 -0.020 -4.598 426 1HB GLN 53 2HB GLN 53 -14.314 1.972 -6.070 427 2HB GLN 53 1HB GLN 53 -12.973 2.702 -5.205 428 1HG GLN 53 2HG GLN 53 -11.500 0.907 -5.928 429 2HG GLN 53 1HG GLN 53 -12.848 0.122 -6.749 430 1HE2 GLN 53 1HE2 GLN 53 -10.346 1.044 -7.857 431 2HE2 GLN 53 2HE2 GLN 53 -10.748 2.196 -9.079 432 H ALA 54 H ALA 54 -12.878 2.477 -2.465 433 HA ALA 54 HA ALA 54 -10.245 1.578 -2.196 434 1HB ALA 54 1HB ALA 54 -10.237 2.770 -0.049 435 2HB ALA 54 2HB ALA 54 -11.994 2.917 -0.128 436 3HB ALA 54 3HB ALA 54 -10.987 3.727 -1.327 437 H GLU 55 H GLU 55 -13.147 0.749 -0.278 438 HA GLU 55 HA GLU 55 -12.049 -1.136 1.435 439 1HB GLU 55 2HB GLU 55 -14.767 -0.978 0.145 440 2HB GLU 55 1HB GLU 55 -14.357 -2.231 1.306 441 1HG GLU 55 2HG GLU 55 -14.232 0.723 1.844 442 2HG GLU 55 1HG GLU 55 -15.568 -0.337 2.293 443 H LYS 56 H LYS 56 -13.548 -1.720 -1.735 444 HA LYS 56 HA LYS 56 -13.175 -4.490 -1.756 445 1HB LYS 56 2HB LYS 56 -13.447 -2.544 -4.046 446 2HB LYS 56 1HB LYS 56 -13.555 -4.293 -4.211 447 1HG LYS 56 2HG LYS 56 -15.524 -4.386 -2.900 448 2HG LYS 56 1HG LYS 56 -15.338 -2.711 -2.381 449 1HD LYS 56 2HD LYS 56 -15.740 -1.942 -4.648 450 2HD LYS 56 1HD LYS 56 -15.865 -3.613 -5.209 451 1HE LYS 56 2HE LYS 56 -17.845 -3.975 -3.940 452 2HE LYS 56 1HE LYS 56 -17.652 -2.445 -3.085 453 1HZ LYS 56 1HZ LYS 56 -18.151 -2.694 -6.005 454 2HZ LYS 56 2HZ LYS 56 -18.093 -1.254 -5.098 455 3HZ LYS 56 3HZ LYS 56 -19.344 -2.367 -4.840 456 H GLU 57 H GLU 57 -11.090 -1.900 -2.990 457 HA GLU 57 HA GLU 57 -9.189 -3.627 -4.179 458 1HB GLU 57 2HB GLU 57 -9.063 -0.769 -3.255 459 2HB GLU 57 1HB GLU 57 -7.652 -1.586 -3.920 460 1HG GLU 57 2HG GLU 57 -10.286 -1.132 -5.305 461 2HG GLU 57 1HG GLU 57 -8.758 -0.314 -5.641 462 H VAL 58 H VAL 58 -9.405 -2.169 -0.954 463 HA VAL 58 HA VAL 58 -6.902 -3.093 -0.042 464 HB VAL 58 HB VAL 58 -9.394 -2.400 1.522 465 1HG1 VAL 58 1HG1 VAL 58 -7.961 -2.323 3.505 466 2HG1 VAL 58 2HG1 VAL 58 -6.601 -2.918 2.551 467 3HG1 VAL 58 3HG1 VAL 58 -8.009 -3.946 2.817 468 1HG2 VAL 58 1HG2 VAL 58 -6.827 -0.894 1.020 469 2HG2 VAL 58 2HG2 VAL 58 -8.147 -0.351 2.057 470 3HG2 VAL 58 3HG2 VAL 58 -8.406 -0.531 0.322 471 H VAL 59 H VAL 59 -10.175 -4.442 0.528 472 HA VAL 59 HA VAL 59 -9.350 -6.587 2.109 473 HB VAL 59 HB VAL 59 -11.769 -6.389 0.312 474 1HG1 VAL 59 1HG1 VAL 59 -11.172 -8.330 2.542 475 2HG1 VAL 59 2HG1 VAL 59 -11.355 -8.717 0.830 476 3HG1 VAL 59 3HG1 VAL 59 -12.741 -8.140 1.757 477 1HG2 VAL 59 1HG2 VAL 59 -11.391 -5.853 3.255 478 2HG2 VAL 59 2HG2 VAL 59 -12.928 -5.790 2.392 479 3HG2 VAL 59 3HG2 VAL 59 -11.648 -4.642 1.998 480 H ASP 60 H ASP 60 -9.793 -6.467 -1.406 481 HA ASP 60 HA ASP 60 -9.323 -9.203 -1.889 482 1HB ASP 60 2HB ASP 60 -10.362 -7.789 -3.573 483 2HB ASP 60 1HB ASP 60 -8.900 -6.813 -3.694 484 H TRP 61 H TRP 61 -7.137 -6.420 -2.270 485 HA TRP 61 HA TRP 61 -4.867 -7.949 -2.949 486 1HB TRP 61 2HB TRP 61 -5.077 -5.576 -3.487 487 2HB TRP 61 1HB TRP 61 -5.084 -5.168 -1.778 488 HD1 TRP 61 HD TRP 61 -2.712 -6.296 -4.576 489 HE1 TRP 61 1HE TRP 61 -0.294 -5.805 -3.830 490 HE3 TRP 61 3HE TRP 61 -3.619 -4.886 0.253 491 HZ2 TRP 61 2HZ TRP 61 1.044 -4.936 -1.503 492 HZ3 TRP 61 3HZ TRP 61 -1.717 -4.235 1.671 493 HH2 TRP 61 HH TRP 61 0.565 -4.261 0.807 494 H GLU 62 H GLU 62 -6.044 -6.678 0.116 495 HA GLU 62 HA GLU 62 -4.006 -7.174 1.868 496 1HB GLU 62 2HB GLU 62 -6.092 -6.163 2.567 497 2HB GLU 62 1HB GLU 62 -6.974 -7.640 2.210 498 1HG GLU 62 2HG GLU 62 -6.792 -7.663 4.507 499 2HG GLU 62 1HG GLU 62 -5.482 -8.720 3.987 500 H THR 63 H THR 63 -6.603 -9.467 1.101 501 HA THR 63 HA THR 63 -5.422 -11.558 2.610 502 HB THR 63 HB THR 63 -7.517 -12.038 0.523 503 HG1 THR 63 1HG THR 63 -8.447 -10.299 1.452 504 1HG2 THR 63 1HG2 THR 63 -7.083 -13.045 3.338 505 2HG2 THR 63 2HG2 THR 63 -6.719 -13.925 1.854 506 3HG2 THR 63 3HG2 THR 63 -8.390 -13.540 2.265 507 H ARG 64 H ARG 64 -4.964 -10.462 -0.621 508 HA ARG 64 HA ARG 64 -4.008 -12.926 -1.703 509 1HB ARG 64 2HB ARG 64 -3.515 -10.066 -2.534 510 2HB ARG 64 1HB ARG 64 -2.923 -11.458 -3.428 511 1HG ARG 64 2HG ARG 64 -5.279 -12.208 -3.680 512 2HG ARG 64 1HG ARG 64 -5.788 -10.685 -2.951 513 1HD ARG 64 2HD ARG 64 -4.615 -9.465 -4.727 514 2HD ARG 64 1HD ARG 64 -4.151 -10.998 -5.463 515 HE ARG 64 HE ARG 64 -6.845 -9.833 -5.385 516 1HH1 ARG 64 1HH1 ARG 64 -4.730 -12.454 -6.365 517 2HH1 ARG 64 2HH1 ARG 64 -5.768 -12.977 -7.652 518 1HH2 ARG 64 1HH2 ARG 64 -8.227 -10.554 -7.046 519 2HH2 ARG 64 2HH2 ARG 64 -7.760 -11.901 -8.038 520 H ASN 65 H ASN 65 -2.594 -10.422 0.259 521 HA ASN 65 HA ASN 65 0.097 -11.480 -0.262 522 1HB ASN 65 2HB ASN 65 -0.828 -8.856 0.900 523 2HB ASN 65 1HB ASN 65 0.859 -9.365 0.880 524 1HD2 ASN 65 1HD2 ASN 65 -1.889 -8.474 -1.093 525 2HD2 ASN 65 2HD2 ASN 65 -0.980 -8.103 -2.517 526 H GLU 66 H GLU 66 -1.651 -10.124 2.531 527 HA GLU 66 HA GLU 66 -2.198 -11.081 4.532 528 1HB GLU 66 2HB GLU 66 -0.638 -13.439 3.488 529 2HB GLU 66 1HB GLU 66 -1.371 -13.402 5.085 530 1HG GLU 66 2HG GLU 66 -2.995 -12.885 2.628 531 2HG GLU 66 1HG GLU 66 -2.645 -14.527 3.165 532 H TYR 67 H TYR 67 1.141 -11.073 3.473 533 HA TYR 67 HA TYR 67 2.182 -11.138 6.150 534 1HB TYR 67 2HB TYR 67 3.364 -11.891 3.974 535 2HB TYR 67 1HB TYR 67 3.731 -10.183 3.754 536 HD1 TYR 67 1HD TYR 67 5.311 -9.052 5.217 537 HD2 TYR 67 2HD TYR 67 4.389 -13.167 5.766 538 HE1 TYR 67 1HE TYR 67 7.262 -9.287 6.691 539 HE2 TYR 67 2HE TYR 67 6.338 -13.414 7.241 540 HH TYR 67 HH TYR 67 8.041 -10.768 8.507 541 H ARG 68 H ARG 68 0.657 -9.390 6.774 542 HA ARG 68 HA ARG 68 2.072 -6.849 6.795 543 1HB ARG 68 2HB ARG 68 0.485 -6.690 4.881 544 2HB ARG 68 1HB ARG 68 -0.841 -7.020 5.988 545 1HG ARG 68 2HG ARG 68 0.016 -4.969 7.284 546 2HG ARG 68 1HG ARG 68 0.898 -4.594 5.806 547 1HD ARG 68 2HD ARG 68 -1.226 -3.422 5.857 548 2HD ARG 68 1HD ARG 68 -1.202 -4.606 4.553 549 HE ARG 68 HE ARG 68 -3.005 -5.602 5.511 550 1HH1 ARG 68 1HH1 ARG 68 -1.259 -3.943 8.091 551 2HH1 ARG 68 2HH1 ARG 68 -2.482 -4.260 9.277 552 1HH2 ARG 68 1HH2 ARG 68 -4.613 -5.945 7.059 553 2HH2 ARG 68 2HH2 ARG 68 -4.379 -5.389 8.698 554 H TRP 69 H TRP 69 -0.121 -9.132 8.091 555 HA TRP 69 HA TRP 69 -1.070 -7.489 10.246 556 1HB TRP 69 2HB TRP 69 -1.221 -10.496 9.909 557 2HB TRP 69 1HB TRP 69 -2.148 -9.529 11.050 558 HD1 TRP 69 HD TRP 69 -1.852 -10.144 7.250 559 HE1 TRP 69 1HE TRP 69 -4.116 -9.585 6.167 560 HE3 TRP 69 3HE TRP 69 -4.275 -8.299 11.355 561 HZ2 TRP 69 2HZ TRP 69 -6.601 -8.504 6.951 562 HZ3 TRP 69 3HZ TRP 69 -6.594 -7.522 11.103 563 HH2 TRP 69 HH TRP 69 -7.731 -7.623 8.945 Start of MODEL 9 1 1H MET 1 1HT MET 1 -2.314 -10.041 14.884 2 2H MET 1 2HT MET 1 -0.814 -9.983 15.666 3 3H MET 1 3HT MET 1 -1.051 -9.106 14.233 4 HA MET 1 HA MET 1 -2.664 -7.698 15.321 5 1HB MET 1 2HB MET 1 -3.466 -9.373 16.955 6 2HB MET 1 1HB MET 1 -1.931 -9.273 17.806 7 1HG MET 1 2HG MET 1 -2.376 -6.897 18.273 8 2HG MET 1 1HG MET 1 -3.946 -7.061 17.488 9 1HE MET 1 1HE MET 1 -1.708 -8.093 20.546 10 2HE MET 1 2HE MET 1 -2.068 -9.651 19.804 11 3HE MET 1 3HE MET 1 -2.749 -9.246 21.381 12 H ASN 2 H ASN 2 0.209 -8.912 17.083 13 HA ASN 2 HA ASN 2 1.313 -6.268 17.282 14 1HB ASN 2 2HB ASN 2 1.910 -8.071 18.912 15 2HB ASN 2 1HB ASN 2 2.728 -8.931 17.608 16 1HD2 ASN 2 1HD2 ASN 2 4.756 -8.815 18.504 17 2HD2 ASN 2 2HD2 ASN 2 5.635 -7.330 18.656 18 H LYS 3 H LYS 3 2.444 -5.251 15.739 19 HA LYS 3 HA LYS 3 2.352 -6.423 13.146 20 1HB LYS 3 2HB LYS 3 1.899 -4.030 13.578 21 2HB LYS 3 1HB LYS 3 3.590 -3.806 14.001 22 1HG LYS 3 2HG LYS 3 4.289 -3.904 11.846 23 2HG LYS 3 1HG LYS 3 2.998 -5.004 11.360 24 1HD LYS 3 2HD LYS 3 2.376 -2.187 12.149 25 2HD LYS 3 1HD LYS 3 2.960 -2.551 10.525 26 1HE LYS 3 2HE LYS 3 0.504 -2.471 10.637 27 2HE LYS 3 1HE LYS 3 1.099 -4.055 10.154 28 1HZ LYS 3 1HZ LYS 3 -0.740 -4.111 11.786 29 2HZ LYS 3 2HZ LYS 3 0.267 -3.380 12.928 30 3HZ LYS 3 3HZ LYS 3 0.644 -4.919 12.316 31 H ASP 4 H ASP 4 3.859 -7.380 12.010 32 HA ASP 4 HA ASP 4 6.316 -8.197 13.108 33 1HB ASP 4 2HB ASP 4 5.033 -9.299 11.204 34 2HB ASP 4 1HB ASP 4 5.670 -8.036 10.156 35 H GLU 5 H GLU 5 8.358 -7.369 12.925 36 HA GLU 5 HA GLU 5 8.526 -4.622 13.105 37 1HB GLU 5 2HB GLU 5 10.151 -6.339 14.001 38 2HB GLU 5 1HB GLU 5 10.852 -6.400 12.388 39 1HG GLU 5 2HG GLU 5 11.262 -3.952 12.550 40 2HG GLU 5 1HG GLU 5 10.726 -4.028 14.228 41 H ALA 6 H ALA 6 8.846 -2.984 11.759 42 HA ALA 6 HA ALA 6 8.588 -3.456 8.949 43 1HB ALA 6 1HB ALA 6 8.460 -1.048 8.729 44 2HB ALA 6 2HB ALA 6 8.994 -0.844 10.398 45 3HB ALA 6 3HB ALA 6 7.436 -1.596 10.057 46 H GLY 7 H GLY 7 10.763 -4.716 9.248 47 1HA GLY 7 2HA GLY 7 12.896 -2.906 8.293 48 2HA GLY 7 1HA GLY 7 13.173 -4.507 8.975 49 H GLY 8 H GLY 8 12.408 -6.367 7.767 50 1HA GLY 8 2HA GLY 8 12.738 -6.134 4.928 51 2HA GLY 8 1HA GLY 8 12.233 -7.575 5.807 52 H ASN 9 H ASN 9 10.078 -6.120 7.142 53 HA ASN 9 HA ASN 9 7.926 -6.509 5.356 54 1HB ASN 9 2HB ASN 9 7.835 -6.553 7.875 55 2HB ASN 9 1HB ASN 9 8.024 -4.807 7.872 56 1HD2 ASN 9 1HD2 ASN 9 5.914 -6.339 9.003 57 2HD2 ASN 9 2HD2 ASN 9 4.452 -5.864 8.213 58 H TRP 10 H TRP 10 9.795 -3.732 6.342 59 HA TRP 10 HA TRP 10 8.256 -1.692 5.147 60 1HB TRP 10 2HB TRP 10 9.994 -1.427 6.940 61 2HB TRP 10 1HB TRP 10 11.228 -1.738 5.729 62 HD1 TRP 10 HD TRP 10 11.566 0.202 3.826 63 HE1 TRP 10 1HE TRP 10 11.181 2.746 3.980 64 HE3 TRP 10 3HE TRP 10 8.539 0.304 7.942 65 HZ2 TRP 10 2HZ TRP 10 9.764 4.546 5.633 66 HZ3 TRP 10 3HZ TRP 10 7.713 2.476 8.750 67 HH2 TRP 10 HH TRP 10 8.316 4.553 7.617 68 H LYS 11 H LYS 11 11.028 -3.576 4.080 69 HA LYS 11 HA LYS 11 11.389 -2.264 1.585 70 1HB LYS 11 2HB LYS 11 12.254 -5.020 2.487 71 2HB LYS 11 1HB LYS 11 12.868 -4.167 1.077 72 1HG LYS 11 2HG LYS 11 14.056 -2.647 2.352 73 2HG LYS 11 1HG LYS 11 13.086 -2.945 3.795 74 1HD LYS 11 2HD LYS 11 15.338 -3.915 3.978 75 2HD LYS 11 1HD LYS 11 14.080 -5.147 4.043 76 1HE LYS 11 2HE LYS 11 14.474 -5.629 1.656 77 2HE LYS 11 1HE LYS 11 15.774 -4.439 1.648 78 1HZ LYS 11 1HZ LYS 11 15.693 -6.909 3.298 79 2HZ LYS 11 2HZ LYS 11 16.934 -5.756 3.315 80 3HZ LYS 11 3HZ LYS 11 16.645 -6.663 1.915 81 H GLN 12 H GLN 12 9.738 -5.215 2.601 82 HA GLN 12 HA GLN 12 9.409 -6.275 0.008 83 1HB GLN 12 2HB GLN 12 9.382 -7.554 2.173 84 2HB GLN 12 1HB GLN 12 7.760 -6.933 2.448 85 1HG GLN 12 2HG GLN 12 7.650 -9.161 1.550 86 2HG GLN 12 1HG GLN 12 7.013 -8.010 0.375 87 1HE2 GLN 12 1HE2 GLN 12 8.207 -7.563 -1.490 88 2HE2 GLN 12 2HE2 GLN 12 9.469 -8.619 -2.042 89 H PHE 13 H PHE 13 7.093 -4.574 2.136 90 HA PHE 13 HA PHE 13 5.020 -4.951 0.171 91 1HB PHE 13 2HB PHE 13 5.051 -3.664 2.886 92 2HB PHE 13 1HB PHE 13 3.624 -3.633 1.834 93 HD1 PHE 13 1HD PHE 13 5.521 -5.486 4.151 94 HD2 PHE 13 2HD PHE 13 2.796 -5.831 0.924 95 HE1 PHE 13 1HE PHE 13 5.090 -7.810 4.769 96 HE2 PHE 13 2HE PHE 13 2.344 -8.145 1.528 97 HZ PHE 13 HZ PHE 13 3.481 -9.161 3.470 98 H LYS 14 H LYS 14 7.208 -2.461 1.040 99 HA LYS 14 HA LYS 14 5.981 -0.288 -0.226 100 1HB LYS 14 2HB LYS 14 8.183 -0.249 1.019 101 2HB LYS 14 1HB LYS 14 8.922 -0.940 -0.411 102 1HG LYS 14 2HG LYS 14 8.140 1.042 -1.700 103 2HG LYS 14 1HG LYS 14 7.608 1.750 -0.172 104 1HD LYS 14 2HD LYS 14 10.431 0.902 -0.822 105 2HD LYS 14 1HD LYS 14 9.831 2.558 -0.851 106 1HE LYS 14 2HE LYS 14 9.741 0.811 1.598 107 2HE LYS 14 1HE LYS 14 11.094 1.874 1.225 108 1HZ LYS 14 1HZ LYS 14 9.624 3.769 1.306 109 2HZ LYS 14 2HZ LYS 14 9.503 2.891 2.751 110 3HZ LYS 14 3HZ LYS 14 8.285 2.766 1.588 111 H GLY 15 H GLY 15 7.905 -2.945 -1.540 112 1HA GLY 15 2HA GLY 15 7.583 -2.147 -4.270 113 2HA GLY 15 1HA GLY 15 8.190 -3.693 -3.701 114 H LYS 16 H LYS 16 6.005 -4.592 -2.204 115 HA LYS 16 HA LYS 16 4.443 -5.760 -4.221 116 1HB LYS 16 2HB LYS 16 4.547 -5.862 -1.306 117 2HB LYS 16 1HB LYS 16 2.919 -6.062 -1.937 118 1HG LYS 16 2HG LYS 16 3.966 -8.212 -1.662 119 2HG LYS 16 1HG LYS 16 3.721 -7.883 -3.378 120 1HD LYS 16 2HD LYS 16 6.122 -7.012 -3.360 121 2HD LYS 16 1HD LYS 16 6.273 -7.811 -1.798 122 1HE LYS 16 2HE LYS 16 7.089 -9.243 -3.597 123 2HE LYS 16 1HE LYS 16 5.671 -9.946 -2.821 124 1HZ LYS 16 1HZ LYS 16 5.530 -8.346 -5.322 125 2HZ LYS 16 2HZ LYS 16 4.314 -9.321 -4.641 126 3HZ LYS 16 3HZ LYS 16 5.696 -10.035 -5.310 127 H VAL 17 H VAL 17 3.607 -3.145 -1.944 128 HA VAL 17 HA VAL 17 0.993 -2.776 -2.920 129 HB VAL 17 HB VAL 17 2.810 -0.726 -1.636 130 1HG1 VAL 17 1HG1 VAL 17 1.027 0.377 -2.857 131 2HG1 VAL 17 2HG1 VAL 17 0.717 0.483 -1.123 132 3HG1 VAL 17 3HG1 VAL 17 -0.172 -0.678 -2.109 133 1HG2 VAL 17 1HG2 VAL 17 0.657 -2.491 -0.474 134 2HG2 VAL 17 2HG2 VAL 17 1.525 -1.227 0.397 135 3HG2 VAL 17 3HG2 VAL 17 2.392 -2.643 -0.199 136 H LYS 18 H LYS 18 4.096 -1.285 -3.898 137 HA LYS 18 HA LYS 18 2.891 0.401 -5.840 138 1HB LYS 18 2HB LYS 18 5.729 -0.542 -5.506 139 2HB LYS 18 1HB LYS 18 5.234 0.546 -6.795 140 1HG LYS 18 2HG LYS 18 4.198 1.845 -4.693 141 2HG LYS 18 1HG LYS 18 5.563 1.047 -3.909 142 1HD LYS 18 2HD LYS 18 6.295 3.203 -4.673 143 2HD LYS 18 1HD LYS 18 7.039 1.974 -5.701 144 1HE LYS 18 2HE LYS 18 5.319 2.359 -7.402 145 2HE LYS 18 1HE LYS 18 4.572 3.582 -6.375 146 1HZ LYS 18 1HZ LYS 18 6.603 4.895 -6.533 147 2HZ LYS 18 2HZ LYS 18 5.959 4.584 -8.066 148 3HZ LYS 18 3HZ LYS 18 7.309 3.717 -7.530 149 H GLU 19 H GLU 19 3.459 -2.957 -5.863 150 HA GLU 19 HA GLU 19 3.540 -3.253 -8.719 151 1HB GLU 19 2HB GLU 19 2.948 -5.188 -6.482 152 2HB GLU 19 1HB GLU 19 2.902 -5.652 -8.176 153 1HG GLU 19 2HG GLU 19 5.251 -5.049 -8.412 154 2HG GLU 19 1HG GLU 19 5.298 -4.568 -6.716 155 H GLN 20 H GLN 20 1.056 -3.482 -6.219 156 HA GLN 20 HA GLN 20 -1.072 -3.993 -8.081 157 1HB GLN 20 2HB GLN 20 -0.864 -4.518 -5.504 158 2HB GLN 20 1HB GLN 20 -1.504 -2.895 -5.322 159 1HG GLN 20 2HG GLN 20 -2.852 -5.117 -6.843 160 2HG GLN 20 1HG GLN 20 -3.222 -4.654 -5.187 161 1HE2 GLN 20 1HE2 GLN 20 -4.293 -2.718 -4.801 162 2HE2 GLN 20 2HE2 GLN 20 -5.154 -1.883 -6.045 163 H TRP 21 H TRP 21 -0.233 -1.267 -5.994 164 HA TRP 21 HA TRP 21 -1.587 0.582 -7.833 165 1HB TRP 21 2HB TRP 21 -1.630 0.349 -4.866 166 2HB TRP 21 1HB TRP 21 -1.661 1.956 -5.555 167 HD1 TRP 21 HD TRP 21 -4.093 1.013 -3.910 168 HE1 TRP 21 1HE TRP 21 -6.416 0.742 -4.985 169 HE3 TRP 21 3HE TRP 21 -2.690 0.551 -8.807 170 HZ2 TRP 21 2HZ TRP 21 -7.508 0.398 -7.557 171 HZ3 TRP 21 3HZ TRP 21 -4.437 0.267 -10.512 172 HH2 TRP 21 HH TRP 21 -6.799 0.193 -9.898 173 H GLY 22 H GLY 22 0.129 1.329 -8.942 174 1HA GLY 22 2HA GLY 22 2.659 1.819 -7.609 175 2HA GLY 22 1HA GLY 22 2.357 1.909 -9.332 176 H LYS 23 H LYS 23 0.108 3.723 -7.508 177 HA LYS 23 HA LYS 23 1.367 6.188 -8.416 178 1HB LYS 23 2HB LYS 23 -1.303 5.370 -7.889 179 2HB LYS 23 1HB LYS 23 -0.930 6.689 -6.791 180 1HG LYS 23 2HG LYS 23 0.028 7.577 -9.219 181 2HG LYS 23 1HG LYS 23 -1.461 6.719 -9.630 182 1HD LYS 23 2HD LYS 23 -2.646 8.022 -7.900 183 2HD LYS 23 1HD LYS 23 -1.161 8.927 -7.606 184 1HE LYS 23 2HE LYS 23 -1.176 9.721 -9.911 185 2HE LYS 23 1HE LYS 23 -2.650 8.805 -10.225 186 1HZ LYS 23 1HZ LYS 23 -3.426 10.929 -9.784 187 2HZ LYS 23 2HZ LYS 23 -2.285 11.216 -8.563 188 3HZ LYS 23 3HZ LYS 23 -3.584 10.172 -8.274 189 H LEU 24 H LEU 24 0.568 4.524 -5.432 190 HA LEU 24 HA LEU 24 1.185 6.556 -3.616 191 1HB LEU 24 2HB LEU 24 1.273 3.560 -3.397 192 2HB LEU 24 1HB LEU 24 1.654 4.598 -2.041 193 HG LEU 24 HG LEU 24 -0.982 4.479 -3.502 194 1HD1 LEU 24 1HD1 LEU 24 -0.195 3.614 -0.727 195 2HD1 LEU 24 2HD1 LEU 24 -0.593 2.550 -2.078 196 3HD1 LEU 24 3HD1 LEU 24 -1.830 3.602 -1.386 197 1HD2 LEU 24 1HD2 LEU 24 -1.789 6.010 -1.781 198 2HD2 LEU 24 2HD2 LEU 24 -0.497 6.740 -2.735 199 3HD2 LEU 24 3HD2 LEU 24 -0.159 6.125 -1.118 200 H THR 25 H THR 25 2.991 7.306 -2.746 201 HA THR 25 HA THR 25 5.478 6.468 -4.040 202 HB THR 25 HB THR 25 6.368 8.645 -3.276 203 HG1 THR 25 1HG THR 25 3.755 8.882 -2.150 204 1HG2 THR 25 1HG2 THR 25 3.740 8.862 -4.752 205 2HG2 THR 25 2HG2 THR 25 5.302 8.478 -5.477 206 3HG2 THR 25 3HG2 THR 25 5.032 10.064 -4.758 207 H ASP 26 H ASP 26 7.418 7.182 -2.448 208 HA ASP 26 HA ASP 26 7.567 5.199 -0.478 209 1HB ASP 26 2HB ASP 26 9.585 6.113 -1.426 210 2HB ASP 26 1HB ASP 26 9.183 7.729 -0.851 211 H ASP 27 H ASP 27 6.885 8.659 -0.239 212 HA ASP 27 HA ASP 27 6.792 8.937 2.521 213 1HB ASP 27 2HB ASP 27 6.673 10.872 1.090 214 2HB ASP 27 1HB ASP 27 5.151 10.329 0.398 215 H ASP 28 H ASP 28 4.201 7.993 0.297 216 HA ASP 28 HA ASP 28 2.120 8.034 2.169 217 1HB ASP 28 2HB ASP 28 2.352 6.231 -0.244 218 2HB ASP 28 1HB ASP 28 0.882 6.604 0.627 219 H MET 29 H MET 29 4.073 5.298 1.000 220 HA MET 29 HA MET 29 2.740 3.493 2.757 221 1HB MET 29 2HB MET 29 4.564 3.273 0.573 222 2HB MET 29 1HB MET 29 5.177 2.356 1.934 223 1HG MET 29 2HG MET 29 3.010 1.222 2.134 224 2HG MET 29 1HG MET 29 2.451 2.099 0.711 225 1HE MET 29 1HE MET 29 3.185 1.599 -1.729 226 2HE MET 29 2HE MET 29 4.614 0.647 -2.134 227 3HE MET 29 3HE MET 29 4.785 2.165 -1.250 228 H THR 30 H THR 30 5.404 5.620 3.145 229 HA THR 30 HA THR 30 6.619 4.347 5.365 230 HB THR 30 HB THR 30 6.430 7.283 4.642 231 HG1 THR 30 1HG THR 30 7.699 6.365 3.141 232 1HG2 THR 30 1HG2 THR 30 6.889 7.083 7.022 233 2HG2 THR 30 2HG2 THR 30 8.345 7.601 6.168 234 3HG2 THR 30 3HG2 THR 30 8.179 5.926 6.697 235 H ILE 31 H ILE 31 3.865 6.493 4.970 236 HA ILE 31 HA ILE 31 3.332 6.725 7.785 237 HB ILE 31 HB ILE 31 1.191 7.184 5.758 238 1HG1 ILE 31 2HG1 ILE 31 3.598 9.011 6.079 239 2HG1 ILE 31 1HG1 ILE 31 3.137 8.120 4.635 240 1HG2 ILE 31 1HG2 ILE 31 2.099 8.701 8.198 241 2HG2 ILE 31 2HG2 ILE 31 0.741 7.581 8.109 242 3HG2 ILE 31 3HG2 ILE 31 0.694 9.096 7.207 243 1HD1 ILE 31 1HD1 ILE 31 1.516 10.305 5.910 244 2HD1 ILE 31 2HD1 ILE 31 1.120 9.437 4.428 245 3HD1 ILE 31 3HD1 ILE 31 2.545 10.477 4.487 246 H ILE 32 H ILE 32 2.428 4.599 5.175 247 HA ILE 32 HA ILE 32 0.143 3.485 6.510 248 HB ILE 32 HB ILE 32 1.614 2.310 4.139 249 1HG1 ILE 32 2HG1 ILE 32 -0.743 4.211 4.173 250 2HG1 ILE 32 1HG1 ILE 32 0.890 4.618 3.659 251 1HG2 ILE 32 1HG2 ILE 32 0.127 0.723 5.186 252 2HG2 ILE 32 2HG2 ILE 32 -0.597 1.275 3.670 253 3HG2 ILE 32 3HG2 ILE 32 -1.177 1.910 5.209 254 1HD1 ILE 32 1HD1 ILE 32 0.706 3.004 1.834 255 2HD1 ILE 32 2HD1 ILE 32 -0.554 4.235 1.756 256 3HD1 ILE 32 3HD1 ILE 32 -0.936 2.619 2.348 257 H GLU 33 H GLU 33 3.199 1.967 5.435 258 HA GLU 33 HA GLU 33 4.500 0.330 6.306 259 1HB GLU 33 2HB GLU 33 4.497 1.881 8.269 260 2HB GLU 33 1HB GLU 33 3.144 0.976 8.930 261 1HG GLU 33 2HG GLU 33 4.577 -1.041 8.953 262 2HG GLU 33 1HG GLU 33 5.926 -0.034 8.426 263 H GLY 34 H GLY 34 1.365 0.090 7.983 264 1HA GLY 34 2HA GLY 34 0.579 -2.227 6.567 265 2HA GLY 34 1HA GLY 34 1.231 -2.682 8.137 266 H LYS 35 H LYS 35 -0.449 0.342 7.605 267 HA LYS 35 HA LYS 35 -2.474 -0.507 9.531 268 1HB LYS 35 2HB LYS 35 -2.306 2.227 8.287 269 2HB LYS 35 1HB LYS 35 -3.000 1.769 9.833 270 1HG LYS 35 2HG LYS 35 -0.063 1.660 9.214 271 2HG LYS 35 1HG LYS 35 -0.866 3.032 9.972 272 1HD LYS 35 2HD LYS 35 -1.391 1.788 11.904 273 2HD LYS 35 1HD LYS 35 -1.008 0.255 11.114 274 1HE LYS 35 2HE LYS 35 0.732 1.061 12.721 275 2HE LYS 35 1HE LYS 35 1.323 0.763 11.087 276 1HZ LYS 35 1HZ LYS 35 2.232 2.808 11.892 277 2HZ LYS 35 2HZ LYS 35 0.698 3.408 12.294 278 3HZ LYS 35 3HZ LYS 35 1.114 3.173 10.672 279 H ARG 36 H ARG 36 -4.443 -1.112 8.949 280 HA ARG 36 HA ARG 36 -5.265 -1.367 6.268 281 1HB ARG 36 2HB ARG 36 -6.037 -2.587 8.446 282 2HB ARG 36 1HB ARG 36 -7.178 -1.260 8.586 283 1HG ARG 36 2HG ARG 36 -7.015 -2.889 6.084 284 2HG ARG 36 1HG ARG 36 -7.936 -3.448 7.478 285 1HD ARG 36 2HD ARG 36 -9.101 -1.177 7.393 286 2HD ARG 36 1HD ARG 36 -8.378 -1.002 5.791 287 HE ARG 36 HE ARG 36 -9.597 -3.471 5.785 288 1HH1 ARG 36 1HH1 ARG 36 -10.649 -0.149 6.238 289 2HH1 ARG 36 2HH1 ARG 36 -12.257 -0.452 5.637 290 1HH2 ARG 36 1HH2 ARG 36 -11.713 -3.878 5.081 291 2HH2 ARG 36 2HH2 ARG 36 -12.873 -2.578 5.025 292 H ASP 37 H ASP 37 -6.052 0.959 8.799 293 HA ASP 37 HA ASP 37 -7.917 2.525 7.416 294 1HB ASP 37 2HB ASP 37 -7.672 2.787 9.784 295 2HB ASP 37 1HB ASP 37 -5.968 3.196 9.627 296 H GLN 38 H GLN 38 -4.409 2.623 7.465 297 HA GLN 38 HA GLN 38 -4.104 5.153 6.255 298 1HB GLN 38 2HB GLN 38 -2.296 2.832 6.733 299 2HB GLN 38 1HB GLN 38 -1.772 4.109 5.644 300 1HG GLN 38 2HG GLN 38 -2.625 4.482 8.503 301 2HG GLN 38 1HG GLN 38 -0.962 4.451 7.916 302 1HE2 GLN 38 1HE2 GLN 38 -2.443 6.551 9.287 303 2HE2 GLN 38 2HE2 GLN 38 -2.382 7.935 8.258 304 H LEU 39 H LEU 39 -3.935 1.867 4.864 305 HA LEU 39 HA LEU 39 -3.341 2.813 2.267 306 1HB LEU 39 2HB LEU 39 -2.900 0.493 2.999 307 2HB LEU 39 1HB LEU 39 -4.628 0.187 3.011 308 HG LEU 39 HG LEU 39 -4.742 0.570 0.599 309 1HD1 LEU 39 1HD1 LEU 39 -2.696 0.857 -0.715 310 2HD1 LEU 39 2HD1 LEU 39 -1.760 0.992 0.776 311 3HD1 LEU 39 3HD1 LEU 39 -2.967 2.213 0.378 312 1HD2 LEU 39 1HD2 LEU 39 -3.421 -1.363 -0.146 313 2HD2 LEU 39 2HD2 LEU 39 -4.323 -1.688 1.335 314 3HD2 LEU 39 3HD2 LEU 39 -2.589 -1.374 1.409 315 H VAL 40 H VAL 40 -6.391 2.011 3.877 316 HA VAL 40 HA VAL 40 -8.128 2.328 1.724 317 HB VAL 40 HB VAL 40 -8.544 3.026 4.641 318 1HG1 VAL 40 1HG1 VAL 40 -10.936 3.052 4.177 319 2HG1 VAL 40 2HG1 VAL 40 -10.616 2.808 2.459 320 3HG1 VAL 40 3HG1 VAL 40 -10.106 4.302 3.249 321 1HG2 VAL 40 1HG2 VAL 40 -9.783 0.928 4.704 322 2HG2 VAL 40 2HG2 VAL 40 -8.124 0.662 4.167 323 3HG2 VAL 40 3HG2 VAL 40 -9.441 0.667 2.993 324 H GLY 41 H GLY 41 -6.949 4.780 4.019 325 1HA GLY 41 2HA GLY 41 -8.217 6.974 2.770 326 2HA GLY 41 1HA GLY 41 -6.850 7.069 3.870 327 H LYS 42 H LYS 42 -4.936 5.664 2.451 328 HA LYS 42 HA LYS 42 -3.937 7.666 0.783 329 1HB LYS 42 2HB LYS 42 -3.135 4.856 1.360 330 2HB LYS 42 1HB LYS 42 -2.376 5.680 0.009 331 1HG LYS 42 2HG LYS 42 -2.311 6.445 2.919 332 2HG LYS 42 1HG LYS 42 -0.957 5.981 1.880 333 1HD LYS 42 2HD LYS 42 -1.324 8.012 0.537 334 2HD LYS 42 1HD LYS 42 -2.615 8.490 1.639 335 1HE LYS 42 2HE LYS 42 -1.083 8.706 3.458 336 2HE LYS 42 1HE LYS 42 0.219 7.982 2.511 337 1HZ LYS 42 1HZ LYS 42 -1.116 10.540 1.819 338 2HZ LYS 42 2HZ LYS 42 0.249 9.861 1.071 339 3HZ LYS 42 3HZ LYS 42 0.348 10.431 2.667 340 H ILE 43 H ILE 43 -5.441 4.553 -0.100 341 HA ILE 43 HA ILE 43 -5.186 4.874 -2.877 342 HB ILE 43 HB ILE 43 -7.424 3.470 -1.399 343 1HG1 ILE 43 2HG1 ILE 43 -4.842 2.406 -2.573 344 2HG1 ILE 43 1HG1 ILE 43 -5.176 2.609 -0.856 345 1HG2 ILE 43 1HG2 ILE 43 -8.018 3.960 -3.724 346 2HG2 ILE 43 2HG2 ILE 43 -7.759 2.232 -3.486 347 3HG2 ILE 43 3HG2 ILE 43 -6.517 3.209 -4.271 348 1HD1 ILE 43 1HD1 ILE 43 -5.405 0.291 -1.553 349 2HD1 ILE 43 2HD1 ILE 43 -6.639 0.759 -2.723 350 3HD1 ILE 43 3HD1 ILE 43 -6.945 0.947 -0.996 351 H GLN 44 H GLN 44 -7.731 6.036 -0.673 352 HA GLN 44 HA GLN 44 -9.475 7.043 -2.647 353 1HB GLN 44 2HB GLN 44 -9.027 8.148 0.134 354 2HB GLN 44 1HB GLN 44 -10.422 8.452 -0.885 355 1HG GLN 44 2HG GLN 44 -11.014 6.078 -0.764 356 2HG GLN 44 1HG GLN 44 -9.625 5.804 0.283 357 1HE2 GLN 44 1HE2 GLN 44 -10.871 5.109 1.980 358 2HE2 GLN 44 2HE2 GLN 44 -11.855 6.175 2.925 359 H GLU 45 H GLU 45 -6.725 8.483 -1.004 360 HA GLU 45 HA GLU 45 -7.273 11.124 -2.022 361 1HB GLU 45 2HB GLU 45 -4.868 10.083 -0.519 362 2HB GLU 45 1HB GLU 45 -5.207 11.774 -0.857 363 1HG GLU 45 2HG GLU 45 -7.298 11.548 0.471 364 2HG GLU 45 1HG GLU 45 -6.779 9.920 0.910 365 H ARG 46 H ARG 46 -4.690 8.730 -2.457 366 HA ARG 46 HA ARG 46 -3.162 10.348 -4.210 367 1HB ARG 46 2HB ARG 46 -2.620 8.124 -2.799 368 2HB ARG 46 1HB ARG 46 -2.928 7.383 -4.363 369 1HG ARG 46 2HG ARG 46 -0.619 7.744 -4.287 370 2HG ARG 46 1HG ARG 46 -1.253 9.040 -5.309 371 1HD ARG 46 2HD ARG 46 -1.359 10.374 -3.088 372 2HD ARG 46 1HD ARG 46 -0.230 9.158 -2.504 373 HE ARG 46 HE ARG 46 0.539 10.377 -5.000 374 1HH1 ARG 46 1HH1 ARG 46 0.788 10.473 -1.512 375 2HH1 ARG 46 2HH1 ARG 46 2.173 11.520 -1.505 376 1HH2 ARG 46 1HH2 ARG 46 2.378 11.748 -5.004 377 2HH2 ARG 46 2HH2 ARG 46 3.095 12.218 -3.489 378 H TYR 47 H TYR 47 -5.510 7.776 -4.721 379 HA TYR 47 HA TYR 47 -5.048 7.863 -7.603 380 1HB TYR 47 2HB TYR 47 -6.677 5.944 -5.937 381 2HB TYR 47 1HB TYR 47 -6.322 5.770 -7.649 382 HD1 TYR 47 1HD TYR 47 -4.369 4.670 -8.335 383 HD2 TYR 47 2HD TYR 47 -4.717 6.022 -4.321 384 HE1 TYR 47 1HE TYR 47 -2.243 3.574 -7.778 385 HE2 TYR 47 2HE TYR 47 -2.603 4.936 -3.757 386 HH TYR 47 HH TYR 47 -1.173 3.125 -4.600 387 H GLY 48 H GLY 48 -7.215 9.031 -5.280 388 1HA GLY 48 2HA GLY 48 -9.030 10.446 -5.607 389 2HA GLY 48 1HA GLY 48 -8.919 10.142 -7.335 390 H TYR 49 H TYR 49 -9.251 7.821 -4.706 391 HA TYR 49 HA TYR 49 -11.632 6.743 -6.029 392 1HB TYR 49 2HB TYR 49 -9.680 5.577 -4.056 393 2HB TYR 49 1HB TYR 49 -11.248 4.836 -4.327 394 HD1 TYR 49 1HD TYR 49 -8.752 6.341 -6.652 395 HD2 TYR 49 2HD TYR 49 -10.960 2.898 -5.511 396 HE1 TYR 49 1HE TYR 49 -7.863 5.128 -8.606 397 HE2 TYR 49 2HE TYR 49 -10.075 1.671 -7.447 398 HH TYR 49 HH TYR 49 -7.473 2.774 -9.290 399 H GLN 50 H GLN 50 -13.370 5.951 -4.626 400 HA GLN 50 HA GLN 50 -13.843 7.720 -2.342 401 1HB GLN 50 2HB GLN 50 -15.705 5.818 -3.792 402 2HB GLN 50 1HB GLN 50 -16.166 6.860 -2.453 403 1HG GLN 50 2HG GLN 50 -15.184 7.784 -5.144 404 2HG GLN 50 1HG GLN 50 -16.859 7.783 -4.598 405 1HE2 GLN 50 1HE2 GLN 50 -13.753 9.308 -4.316 406 2HE2 GLN 50 2HE2 GLN 50 -14.290 10.702 -3.451 407 H LYS 51 H LYS 51 -14.783 6.689 -0.376 408 HA LYS 51 HA LYS 51 -13.067 4.805 0.717 409 1HB LYS 51 2HB LYS 51 -14.568 6.311 2.004 410 2HB LYS 51 1HB LYS 51 -15.934 5.316 1.527 411 1HG LYS 51 2HG LYS 51 -14.720 3.380 2.642 412 2HG LYS 51 1HG LYS 51 -13.659 4.603 3.347 413 1HD LYS 51 2HD LYS 51 -15.411 4.120 4.921 414 2HD LYS 51 1HD LYS 51 -15.684 5.735 4.262 415 1HE LYS 51 2HE LYS 51 -17.797 4.727 4.231 416 2HE LYS 51 1HE LYS 51 -17.218 4.601 2.571 417 1HZ LYS 51 1HZ LYS 51 -16.383 2.302 3.320 418 2HZ LYS 51 2HZ LYS 51 -18.037 2.511 3.003 419 3HZ LYS 51 3HZ LYS 51 -17.480 2.489 4.604 420 H ASP 52 H ASP 52 -16.152 4.355 -0.889 421 HA ASP 52 HA ASP 52 -16.671 1.677 -0.375 422 1HB ASP 52 2HB ASP 52 -18.214 3.192 -1.550 423 2HB ASP 52 1HB ASP 52 -17.134 3.240 -2.928 424 H GLN 53 H GLN 53 -15.077 3.022 -3.222 425 HA GLN 53 HA GLN 53 -14.375 0.475 -4.264 426 1HB GLN 53 2HB GLN 53 -14.818 2.685 -5.504 427 2HB GLN 53 1HB GLN 53 -13.169 3.099 -5.087 428 1HG GLN 53 2HG GLN 53 -12.342 1.171 -6.296 429 2HG GLN 53 1HG GLN 53 -13.992 0.655 -6.641 430 1HE2 GLN 53 1HE2 GLN 53 -11.888 1.235 -8.514 431 2HE2 GLN 53 2HE2 GLN 53 -12.451 2.522 -9.514 432 H ALA 54 H ALA 54 -12.744 2.890 -2.317 433 HA ALA 54 HA ALA 54 -10.105 1.945 -2.648 434 1HB ALA 54 1HB ALA 54 -10.616 4.149 -1.737 435 2HB ALA 54 2HB ALA 54 -9.588 3.224 -0.643 436 3HB ALA 54 3HB ALA 54 -11.309 3.397 -0.299 437 H GLU 55 H GLU 55 -12.560 1.230 -0.143 438 HA GLU 55 HA GLU 55 -10.892 -0.528 1.310 439 1HB GLU 55 2HB GLU 55 -13.906 -0.362 1.180 440 2HB GLU 55 1HB GLU 55 -13.014 -1.344 2.334 441 1HG GLU 55 2HG GLU 55 -11.913 0.730 3.151 442 2HG GLU 55 1HG GLU 55 -12.978 1.653 2.093 443 H LYS 56 H LYS 56 -13.034 -0.993 -1.435 444 HA LYS 56 HA LYS 56 -13.022 -3.788 -1.558 445 1HB LYS 56 2HB LYS 56 -13.091 -1.706 -3.737 446 2HB LYS 56 1HB LYS 56 -13.262 -3.425 -4.056 447 1HG LYS 56 2HG LYS 56 -15.301 -3.537 -2.865 448 2HG LYS 56 1HG LYS 56 -15.066 -1.925 -2.183 449 1HD LYS 56 2HD LYS 56 -15.348 -0.902 -4.322 450 2HD LYS 56 1HD LYS 56 -15.337 -2.470 -5.130 451 1HE LYS 56 2HE LYS 56 -17.431 -3.067 -4.151 452 2HE LYS 56 1HE LYS 56 -17.411 -1.639 -3.114 453 1HZ LYS 56 1HZ LYS 56 -17.296 -1.307 -6.032 454 2HZ LYS 56 2HZ LYS 56 -17.918 -0.254 -4.849 455 3HZ LYS 56 3HZ LYS 56 -18.787 -1.643 -5.296 456 H GLU 57 H GLU 57 -10.761 -1.442 -2.971 457 HA GLU 57 HA GLU 57 -9.026 -3.349 -4.120 458 1HB GLU 57 2HB GLU 57 -8.697 -0.461 -3.346 459 2HB GLU 57 1HB GLU 57 -7.361 -1.388 -4.016 460 1HG GLU 57 2HG GLU 57 -10.022 -0.947 -5.354 461 2HG GLU 57 1HG GLU 57 -8.532 -0.078 -5.723 462 H VAL 58 H VAL 58 -9.178 -1.877 -0.942 463 HA VAL 58 HA VAL 58 -6.674 -2.796 -0.006 464 HB VAL 58 HB VAL 58 -9.173 -2.084 1.541 465 1HG1 VAL 58 1HG1 VAL 58 -6.359 -2.546 2.530 466 2HG1 VAL 58 2HG1 VAL 58 -7.772 -3.540 2.891 467 3HG1 VAL 58 3HG1 VAL 58 -7.681 -1.883 3.488 468 1HG2 VAL 58 1HG2 VAL 58 -8.248 -0.228 0.278 469 2HG2 VAL 58 2HG2 VAL 58 -6.647 -0.545 0.944 470 3HG2 VAL 58 3HG2 VAL 58 -7.948 0.006 2.001 471 H VAL 59 H VAL 59 -9.950 -4.180 0.240 472 HA VAL 59 HA VAL 59 -9.231 -6.370 1.856 473 HB VAL 59 HB VAL 59 -11.538 -6.056 -0.070 474 1HG1 VAL 59 1HG1 VAL 59 -12.578 -7.943 1.097 475 2HG1 VAL 59 2HG1 VAL 59 -11.100 -8.177 2.032 476 3HG1 VAL 59 3HG1 VAL 59 -11.090 -8.430 0.286 477 1HG2 VAL 59 1HG2 VAL 59 -11.562 -4.481 1.781 478 2HG2 VAL 59 2HG2 VAL 59 -11.348 -5.802 2.930 479 3HG2 VAL 59 3HG2 VAL 59 -12.834 -5.684 1.986 480 H ASP 60 H ASP 60 -9.365 -6.032 -1.678 481 HA ASP 60 HA ASP 60 -8.804 -8.755 -2.231 482 1HB ASP 60 2HB ASP 60 -9.735 -7.176 -3.915 483 2HB ASP 60 1HB ASP 60 -8.174 -6.363 -3.976 484 H TRP 61 H TRP 61 -6.693 -5.880 -2.193 485 HA TRP 61 HA TRP 61 -4.281 -7.230 -2.673 486 1HB TRP 61 2HB TRP 61 -4.453 -4.797 -2.878 487 2HB TRP 61 1HB TRP 61 -4.749 -4.654 -1.148 488 HD1 TRP 61 HD TRP 61 -1.946 -5.207 -3.672 489 HE1 TRP 61 1HE TRP 61 0.321 -5.003 -2.468 490 HE3 TRP 61 3HE TRP 61 -3.609 -4.973 1.161 491 HZ2 TRP 61 2HZ TRP 61 1.272 -4.767 0.181 492 HZ3 TRP 61 3HZ TRP 61 -1.956 -4.758 2.969 493 HH2 TRP 61 HH TRP 61 0.436 -4.659 2.488 494 H GLU 62 H GLU 62 -5.978 -6.470 0.309 495 HA GLU 62 HA GLU 62 -4.205 -7.275 2.241 496 1HB GLU 62 2HB GLU 62 -6.437 -6.366 2.725 497 2HB GLU 62 1HB GLU 62 -7.177 -7.839 2.118 498 1HG GLU 62 2HG GLU 62 -7.244 -8.229 4.355 499 2HG GLU 62 1HG GLU 62 -5.702 -8.975 3.945 500 H THR 63 H THR 63 -6.607 -9.320 0.622 501 HA THR 63 HA THR 63 -5.804 -11.706 1.872 502 HB THR 63 HB THR 63 -7.296 -11.421 -0.742 503 HG1 THR 63 1HG THR 63 -8.554 -10.293 0.610 504 1HG2 THR 63 1HG2 THR 63 -7.361 -13.580 1.374 505 2HG2 THR 63 2HG2 THR 63 -6.578 -13.713 -0.201 506 3HG2 THR 63 3HG2 THR 63 -8.330 -13.541 -0.100 507 H ARG 64 H ARG 64 -4.584 -10.048 -0.937 508 HA ARG 64 HA ARG 64 -3.278 -12.210 -2.201 509 1HB ARG 64 2HB ARG 64 -2.311 -9.346 -2.053 510 2HB ARG 64 1HB ARG 64 -1.828 -10.549 -3.237 511 1HG ARG 64 2HG ARG 64 -4.610 -9.449 -2.930 512 2HG ARG 64 1HG ARG 64 -3.425 -8.906 -4.120 513 1HD ARG 64 2HD ARG 64 -3.402 -11.075 -5.153 514 2HD ARG 64 1HD ARG 64 -4.439 -11.725 -3.885 515 HE ARG 64 HE ARG 64 -5.888 -9.661 -4.928 516 1HH1 ARG 64 1HH1 ARG 64 -4.338 -12.467 -6.335 517 2HH1 ARG 64 2HH1 ARG 64 -5.535 -12.661 -7.581 518 1HH2 ARG 64 1HH2 ARG 64 -7.442 -9.890 -6.556 519 2HH2 ARG 64 2HH2 ARG 64 -7.281 -11.165 -7.729 520 H ASN 65 H ASN 65 -2.363 -10.069 0.417 521 HA ASN 65 HA ASN 65 0.242 -11.408 0.653 522 1HB ASN 65 2HB ASN 65 -0.675 -8.740 1.755 523 2HB ASN 65 1HB ASN 65 0.956 -9.402 1.880 524 1HD2 ASN 65 1HD2 ASN 65 -1.467 -8.140 -0.316 525 2HD2 ASN 65 2HD2 ASN 65 -0.380 -7.770 -1.607 526 H GLU 66 H GLU 66 -1.847 -9.693 2.921 527 HA GLU 66 HA GLU 66 -2.825 -10.223 4.888 528 1HB GLU 66 2HB GLU 66 -2.120 -13.100 4.287 529 2HB GLU 66 1HB GLU 66 -3.222 -12.548 5.542 530 1HG GLU 66 2HG GLU 66 -4.556 -11.473 3.647 531 2HG GLU 66 1HG GLU 66 -3.576 -12.458 2.567 532 H TYR 67 H TYR 67 0.357 -10.632 4.230 533 HA TYR 67 HA TYR 67 1.218 -11.171 6.950 534 1HB TYR 67 2HB TYR 67 2.509 -11.985 5.001 535 2HB TYR 67 1HB TYR 67 2.734 -10.334 4.457 536 HD1 TYR 67 1HD TYR 67 4.395 -8.912 5.483 537 HD2 TYR 67 2HD TYR 67 3.778 -12.871 6.897 538 HE1 TYR 67 1HE TYR 67 6.552 -8.811 6.643 539 HE2 TYR 67 2HE TYR 67 5.930 -12.785 8.087 540 HH TYR 67 HH TYR 67 7.631 -9.999 8.684 541 H ARG 68 H ARG 68 0.098 -9.397 7.993 542 HA ARG 68 HA ARG 68 1.386 -6.826 7.682 543 1HB ARG 68 2HB ARG 68 -0.282 -6.839 5.867 544 2HB ARG 68 1HB ARG 68 -1.554 -7.108 7.052 545 1HG ARG 68 2HG ARG 68 -0.945 -4.963 8.121 546 2HG ARG 68 1HG ARG 68 0.220 -4.688 6.825 547 1HD ARG 68 2HD ARG 68 -1.851 -3.503 6.377 548 2HD ARG 68 1HD ARG 68 -1.592 -4.775 5.185 549 HE ARG 68 HE ARG 68 -3.492 -5.824 5.914 550 1HH1 ARG 68 1HH1 ARG 68 -2.530 -3.465 8.346 551 2HH1 ARG 68 2HH1 ARG 68 -4.022 -3.591 9.227 552 1HH2 ARG 68 1HH2 ARG 68 -5.442 -5.951 7.048 553 2HH2 ARG 68 2HH2 ARG 68 -5.670 -5.017 8.505 554 H TRP 69 H TRP 69 -1.169 -8.707 9.278 555 HA TRP 69 HA TRP 69 -1.931 -6.730 11.127 556 1HB TRP 69 2HB TRP 69 -2.226 -9.722 11.099 557 2HB TRP 69 1HB TRP 69 -2.801 -8.761 12.455 558 HD1 TRP 69 HD TRP 69 -4.776 -6.931 11.859 559 HE1 TRP 69 1HE TRP 69 -6.667 -7.079 10.121 560 HE3 TRP 69 3HE TRP 69 -2.836 -10.600 8.863 561 HZ2 TRP 69 2HZ TRP 69 -7.255 -8.554 7.791 562 HZ3 TRP 69 3HZ TRP 69 -4.131 -11.320 6.898 563 HH2 TRP 69 HH TRP 69 -6.295 -10.317 6.374 Start of MODEL 10 1 1H MET 1 1HT MET 1 -0.140 -10.084 15.629 2 2H MET 1 2HT MET 1 -0.557 -9.013 14.380 3 3H MET 1 3HT MET 1 -1.592 -10.303 14.780 4 HA MET 1 HA MET 1 -2.396 -8.177 15.603 5 1HB MET 1 2HB MET 1 -2.639 -8.878 18.030 6 2HB MET 1 1HB MET 1 -3.187 -10.032 16.826 7 1HG MET 1 2HG MET 1 -1.074 -11.268 17.100 8 2HG MET 1 1HG MET 1 -0.606 -10.133 18.366 9 1HE MET 1 1HE MET 1 -0.230 -12.541 19.711 10 2HE MET 1 2HE MET 1 -1.010 -13.473 18.433 11 3HE MET 1 3HE MET 1 -1.563 -13.629 20.102 12 H ASN 2 H ASN 2 0.815 -9.046 16.791 13 HA ASN 2 HA ASN 2 1.207 -6.310 17.689 14 1HB ASN 2 2HB ASN 2 2.860 -8.809 17.799 15 2HB ASN 2 1HB ASN 2 3.659 -7.246 17.912 16 1HD2 ASN 2 1HD2 ASN 2 3.393 -9.387 19.881 17 2HD2 ASN 2 2HD2 ASN 2 2.671 -8.653 21.270 18 H LYS 3 H LYS 3 2.021 -4.767 16.376 19 HA LYS 3 HA LYS 3 2.055 -5.257 13.618 20 1HB LYS 3 2HB LYS 3 3.201 -2.907 15.130 21 2HB LYS 3 1HB LYS 3 2.932 -2.960 13.393 22 1HG LYS 3 2HG LYS 3 0.483 -3.655 14.465 23 2HG LYS 3 1HG LYS 3 1.082 -2.394 15.543 24 1HD LYS 3 2HD LYS 3 -0.095 -1.232 13.882 25 2HD LYS 3 1HD LYS 3 1.597 -1.071 13.410 26 1HE LYS 3 2HE LYS 3 -0.205 -3.221 12.321 27 2HE LYS 3 1HE LYS 3 -0.048 -1.640 11.567 28 1HZ LYS 3 1HZ LYS 3 2.143 -2.045 10.972 29 2HZ LYS 3 2HZ LYS 3 1.400 -3.551 10.714 30 3HZ LYS 3 3HZ LYS 3 2.338 -3.296 12.096 31 H ASP 4 H ASP 4 3.471 -6.319 12.497 32 HA ASP 4 HA ASP 4 6.075 -6.972 13.347 33 1HB ASP 4 2HB ASP 4 4.536 -8.023 11.487 34 2HB ASP 4 1HB ASP 4 5.355 -6.876 10.434 35 H GLU 5 H GLU 5 8.097 -6.131 12.739 36 HA GLU 5 HA GLU 5 8.004 -3.270 12.459 37 1HB GLU 5 2HB GLU 5 10.430 -3.373 12.858 38 2HB GLU 5 1HB GLU 5 9.512 -4.229 14.087 39 1HG GLU 5 2HG GLU 5 10.021 -6.351 12.909 40 2HG GLU 5 1HG GLU 5 11.054 -5.441 11.805 41 H ALA 6 H ALA 6 9.195 -2.055 10.908 42 HA ALA 6 HA ALA 6 9.084 -3.293 8.283 43 1HB ALA 6 1HB ALA 6 9.624 -0.422 9.046 44 2HB ALA 6 2HB ALA 6 8.059 -1.091 8.584 45 3HB ALA 6 3HB ALA 6 9.372 -1.028 7.409 46 H GLY 7 H GLY 7 10.919 -4.708 8.763 47 1HA GLY 7 2HA GLY 7 13.477 -3.322 8.234 48 2HA GLY 7 1HA GLY 7 13.372 -4.623 9.412 49 H GLY 8 H GLY 8 13.654 -3.793 6.093 50 1HA GLY 8 2HA GLY 8 14.377 -5.196 4.360 51 2HA GLY 8 1HA GLY 8 14.065 -6.594 5.385 52 H ASN 9 H ASN 9 11.551 -6.512 6.061 53 HA ASN 9 HA ASN 9 10.034 -7.070 3.737 54 1HB ASN 9 2HB ASN 9 8.104 -7.191 5.311 55 2HB ASN 9 1HB ASN 9 9.488 -8.142 5.843 56 1HD2 ASN 9 1HD2 ASN 9 7.356 -5.561 6.594 57 2HD2 ASN 9 2HD2 ASN 9 8.047 -5.156 8.129 58 H TRP 10 H TRP 10 10.784 -4.204 5.394 59 HA TRP 10 HA TRP 10 8.697 -2.499 4.709 60 1HB TRP 10 2HB TRP 10 10.536 -1.844 6.193 61 2HB TRP 10 1HB TRP 10 11.669 -1.926 4.846 62 HD1 TRP 10 HD TRP 10 12.339 0.504 4.340 63 HE1 TRP 10 1HE TRP 10 11.069 2.719 3.951 64 HE3 TRP 10 3HE TRP 10 7.595 -1.095 5.381 65 HZ2 TRP 10 2HZ TRP 10 8.410 3.638 4.065 66 HZ3 TRP 10 3HZ TRP 10 5.749 0.516 5.211 67 HH2 TRP 10 HH TRP 10 6.153 2.827 4.569 68 H LYS 11 H LYS 11 11.624 -3.354 2.915 69 HA LYS 11 HA LYS 11 11.023 -1.842 0.591 70 1HB LYS 11 2HB LYS 11 13.300 -2.538 1.117 71 2HB LYS 11 1HB LYS 11 12.834 -4.229 1.024 72 1HG LYS 11 2HG LYS 11 12.321 -3.892 -1.382 73 2HG LYS 11 1HG LYS 11 12.963 -2.254 -1.240 74 1HD LYS 11 2HD LYS 11 14.646 -3.789 -2.123 75 2HD LYS 11 1HD LYS 11 15.124 -3.159 -0.544 76 1HE LYS 11 2HE LYS 11 14.296 -5.234 0.501 77 2HE LYS 11 1HE LYS 11 13.891 -5.858 -1.097 78 1HZ LYS 11 1HZ LYS 11 16.009 -6.714 -0.324 79 2HZ LYS 11 2HZ LYS 11 16.614 -5.137 -0.154 80 3HZ LYS 11 3HZ LYS 11 16.231 -5.737 -1.695 81 H GLN 12 H GLN 12 10.206 -5.024 1.717 82 HA GLN 12 HA GLN 12 9.557 -6.198 -0.769 83 1HB GLN 12 2HB GLN 12 10.074 -7.438 1.334 84 2HB GLN 12 1HB GLN 12 8.515 -6.931 1.969 85 1HG GLN 12 2HG GLN 12 8.250 -9.135 1.177 86 2HG GLN 12 1HG GLN 12 7.456 -8.079 0.007 87 1HE2 GLN 12 1HE2 GLN 12 10.127 -10.185 0.616 88 2HE2 GLN 12 2HE2 GLN 12 10.660 -10.335 -1.027 89 H PHE 13 H PHE 13 7.488 -4.755 1.774 90 HA PHE 13 HA PHE 13 5.166 -5.238 0.118 91 1HB PHE 13 2HB PHE 13 5.456 -4.118 2.892 92 2HB PHE 13 1HB PHE 13 3.902 -4.242 2.050 93 HD1 PHE 13 1HD PHE 13 6.362 -5.970 3.943 94 HD2 PHE 13 2HD PHE 13 3.213 -6.470 1.141 95 HE1 PHE 13 1HE PHE 13 6.304 -8.361 4.444 96 HE2 PHE 13 2HE PHE 13 3.149 -8.847 1.618 97 HZ PHE 13 HZ PHE 13 4.682 -9.830 3.293 98 H LYS 14 H LYS 14 7.201 -2.591 0.947 99 HA LYS 14 HA LYS 14 5.596 -0.525 -0.087 100 1HB LYS 14 2HB LYS 14 7.770 -0.133 1.056 101 2HB LYS 14 1HB LYS 14 8.603 -0.787 -0.347 102 1HG LYS 14 2HG LYS 14 8.070 1.039 -1.676 103 2HG LYS 14 1HG LYS 14 6.738 1.534 -0.630 104 1HD LYS 14 2HD LYS 14 8.603 3.055 -0.368 105 2HD LYS 14 1HD LYS 14 8.363 2.136 1.118 106 1HE LYS 14 2HE LYS 14 10.176 0.614 0.431 107 2HE LYS 14 1HE LYS 14 10.447 1.613 -0.998 108 1HZ LYS 14 1HZ LYS 14 10.824 3.505 0.573 109 2HZ LYS 14 2HZ LYS 14 12.003 2.288 0.632 110 3HZ LYS 14 3HZ LYS 14 10.821 2.384 1.841 111 H GLY 15 H GLY 15 7.697 -2.891 -1.616 112 1HA GLY 15 2HA GLY 15 7.199 -2.046 -4.292 113 2HA GLY 15 1HA GLY 15 7.861 -3.597 -3.796 114 H LYS 16 H LYS 16 5.900 -4.754 -2.345 115 HA LYS 16 HA LYS 16 4.193 -5.826 -4.241 116 1HB LYS 16 2HB LYS 16 4.414 -5.936 -1.322 117 2HB LYS 16 1HB LYS 16 2.793 -6.230 -1.922 118 1HG LYS 16 2HG LYS 16 4.065 -8.299 -1.622 119 2HG LYS 16 1HG LYS 16 3.596 -8.043 -3.303 120 1HD LYS 16 2HD LYS 16 5.835 -7.205 -3.796 121 2HD LYS 16 1HD LYS 16 6.309 -7.457 -2.118 122 1HE LYS 16 2HE LYS 16 6.015 -9.826 -2.331 123 2HE LYS 16 1HE LYS 16 5.326 -9.643 -3.945 124 1HZ LYS 16 1HZ LYS 16 7.724 -10.354 -3.826 125 2HZ LYS 16 2HZ LYS 16 8.085 -8.791 -3.281 126 3HZ LYS 16 3HZ LYS 16 7.402 -9.015 -4.817 127 H VAL 17 H VAL 17 3.315 -3.435 -1.714 128 HA VAL 17 HA VAL 17 0.705 -2.999 -2.580 129 HB VAL 17 HB VAL 17 2.540 -0.914 -1.381 130 1HG1 VAL 17 1HG1 VAL 17 0.457 0.178 -0.665 131 2HG1 VAL 17 2HG1 VAL 17 -0.468 -1.023 -1.566 132 3HG1 VAL 17 3HG1 VAL 17 0.592 0.096 -2.423 133 1HG2 VAL 17 1HG2 VAL 17 1.476 -1.503 0.748 134 2HG2 VAL 17 2HG2 VAL 17 2.350 -2.868 0.054 135 3HG2 VAL 17 3HG2 VAL 17 0.592 -2.798 -0.061 136 H LYS 18 H LYS 18 3.716 -1.419 -3.699 137 HA LYS 18 HA LYS 18 2.309 0.340 -5.459 138 1HB LYS 18 2HB LYS 18 5.210 -0.392 -5.212 139 2HB LYS 18 1HB LYS 18 4.622 0.676 -6.478 140 1HG LYS 18 2HG LYS 18 3.599 2.068 -4.604 141 2HG LYS 18 1HG LYS 18 4.606 1.116 -3.511 142 1HD LYS 18 2HD LYS 18 5.741 3.183 -4.104 143 2HD LYS 18 1HD LYS 18 6.603 1.802 -4.785 144 1HE LYS 18 2HE LYS 18 5.486 2.201 -6.947 145 2HE LYS 18 1HE LYS 18 4.682 3.607 -6.255 146 1HZ LYS 18 1HZ LYS 18 6.674 4.145 -7.573 147 2HZ LYS 18 2HZ LYS 18 7.625 3.300 -6.452 148 3HZ LYS 18 3HZ LYS 18 6.774 4.687 -5.970 149 H GLU 19 H GLU 19 3.260 -2.961 -5.753 150 HA GLU 19 HA GLU 19 3.197 -3.011 -8.619 151 1HB GLU 19 2HB GLU 19 2.903 -5.208 -6.565 152 2HB GLU 19 1HB GLU 19 2.876 -5.498 -8.299 153 1HG GLU 19 2HG GLU 19 5.129 -4.496 -8.457 154 2HG GLU 19 1HG GLU 19 5.151 -4.351 -6.701 155 H GLN 20 H GLN 20 0.873 -3.253 -6.044 156 HA GLN 20 HA GLN 20 -1.321 -3.873 -7.822 157 1HB GLN 20 2HB GLN 20 -0.999 -4.327 -5.218 158 2HB GLN 20 1HB GLN 20 -1.742 -2.741 -5.087 159 1HG GLN 20 2HG GLN 20 -2.975 -5.010 -6.624 160 2HG GLN 20 1HG GLN 20 -3.284 -4.724 -4.916 161 1HE2 GLN 20 1HE2 GLN 20 -4.489 -2.943 -4.302 162 2HE2 GLN 20 2HE2 GLN 20 -5.459 -2.054 -5.420 163 H TRP 21 H TRP 21 -0.415 -1.079 -5.809 164 HA TRP 21 HA TRP 21 -1.713 0.701 -7.758 165 1HB TRP 21 2HB TRP 21 -1.657 0.857 -4.753 166 2HB TRP 21 1HB TRP 21 -1.964 2.275 -5.738 167 HD1 TRP 21 HD TRP 21 -4.011 0.800 -3.659 168 HE1 TRP 21 1HE TRP 21 -6.362 0.203 -4.522 169 HE3 TRP 21 3HE TRP 21 -3.082 0.839 -8.695 170 HZ2 TRP 21 2HZ TRP 21 -7.648 -0.193 -6.996 171 HZ3 TRP 21 3HZ TRP 21 -4.932 0.344 -10.236 172 HH2 TRP 21 HH TRP 21 -7.170 -0.163 -9.400 173 H GLY 22 H GLY 22 0.075 1.263 -8.894 174 1HA GLY 22 2HA GLY 22 2.613 1.760 -7.687 175 2HA GLY 22 1HA GLY 22 2.189 2.045 -9.366 176 H LYS 23 H LYS 23 -0.108 3.709 -7.824 177 HA LYS 23 HA LYS 23 1.131 6.228 -8.296 178 1HB LYS 23 2HB LYS 23 -1.514 5.254 -7.522 179 2HB LYS 23 1HB LYS 23 -1.092 6.787 -6.776 180 1HG LYS 23 2HG LYS 23 -0.661 6.464 -9.699 181 2HG LYS 23 1HG LYS 23 -2.305 6.688 -9.095 182 1HD LYS 23 2HD LYS 23 -1.724 8.762 -8.074 183 2HD LYS 23 1HD LYS 23 -0.009 8.505 -8.394 184 1HE LYS 23 2HE LYS 23 -0.473 8.599 -10.809 185 2HE LYS 23 1HE LYS 23 -2.173 8.900 -10.458 186 1HZ LYS 23 1HZ LYS 23 0.088 10.663 -9.668 187 2HZ LYS 23 2HZ LYS 23 -1.556 10.961 -9.368 188 3HZ LYS 23 3HZ LYS 23 -0.977 10.941 -10.962 189 H LEU 24 H LEU 24 0.619 4.272 -5.423 190 HA LEU 24 HA LEU 24 1.034 6.294 -3.511 191 1HB LEU 24 2HB LEU 24 1.493 3.325 -3.365 192 2HB LEU 24 1HB LEU 24 1.653 4.395 -1.987 193 HG LEU 24 HG LEU 24 -0.872 3.870 -3.555 194 1HD1 LEU 24 1HD1 LEU 24 -0.106 3.183 -0.725 195 2HD1 LEU 24 2HD1 LEU 24 -0.186 2.045 -2.072 196 3HD1 LEU 24 3HD1 LEU 24 -1.651 2.843 -1.501 197 1HD2 LEU 24 1HD2 LEU 24 -1.968 5.257 -1.854 198 2HD2 LEU 24 2HD2 LEU 24 -0.801 6.180 -2.801 199 3HD2 LEU 24 3HD2 LEU 24 -0.391 5.649 -1.170 200 H THR 25 H THR 25 2.880 6.691 -2.181 201 HA THR 25 HA THR 25 5.377 6.352 -3.697 202 HB THR 25 HB THR 25 6.045 8.605 -3.010 203 HG1 THR 25 1HG THR 25 3.400 8.825 -1.928 204 1HG2 THR 25 1HG2 THR 25 4.880 8.381 -5.144 205 2HG2 THR 25 2HG2 THR 25 4.462 9.907 -4.367 206 3HG2 THR 25 3HG2 THR 25 3.326 8.559 -4.330 207 H ASP 26 H ASP 26 7.202 7.326 -2.065 208 HA ASP 26 HA ASP 26 7.405 5.371 -0.009 209 1HB ASP 26 2HB ASP 26 9.328 6.369 -1.281 210 2HB ASP 26 1HB ASP 26 9.077 7.863 -0.388 211 H ASP 27 H ASP 27 6.472 8.741 -0.135 212 HA ASP 27 HA ASP 27 6.461 9.211 2.672 213 1HB ASP 27 2HB ASP 27 6.564 11.080 1.159 214 2HB ASP 27 1HB ASP 27 5.039 10.636 0.415 215 H ASP 28 H ASP 28 4.030 8.137 0.353 216 HA ASP 28 HA ASP 28 1.853 8.094 2.185 217 1HB ASP 28 2HB ASP 28 2.332 6.411 -0.283 218 2HB ASP 28 1HB ASP 28 0.820 6.485 0.595 219 H MET 29 H MET 29 4.103 5.721 0.992 220 HA MET 29 HA MET 29 2.997 3.475 2.200 221 1HB MET 29 2HB MET 29 4.570 3.514 0.290 222 2HB MET 29 1HB MET 29 5.864 3.942 1.399 223 1HG MET 29 2HG MET 29 5.936 1.620 0.911 224 2HG MET 29 1HG MET 29 5.499 1.863 2.599 225 1HE MET 29 1HE MET 29 2.605 0.556 -0.730 226 2HE MET 29 2HE MET 29 4.350 0.711 -0.930 227 3HE MET 29 3HE MET 29 3.361 2.151 -0.679 228 H THR 30 H THR 30 5.589 5.641 3.328 229 HA THR 30 HA THR 30 6.346 4.090 5.553 230 HB THR 30 HB THR 30 7.699 5.975 4.605 231 HG1 THR 30 1HG THR 30 7.827 5.060 6.882 232 1HG2 THR 30 1HG2 THR 30 5.779 7.721 6.148 233 2HG2 THR 30 2HG2 THR 30 5.908 7.641 4.391 234 3HG2 THR 30 3HG2 THR 30 7.256 8.255 5.349 235 H ILE 31 H ILE 31 3.665 6.156 5.001 236 HA ILE 31 HA ILE 31 2.987 6.513 7.786 237 HB ILE 31 HB ILE 31 1.326 7.055 5.313 238 1HG1 ILE 31 2HG1 ILE 31 3.624 8.189 5.520 239 2HG1 ILE 31 1HG1 ILE 31 2.244 9.235 5.217 240 1HG2 ILE 31 1HG2 ILE 31 1.084 8.103 8.130 241 2HG2 ILE 31 2HG2 ILE 31 -0.003 6.956 7.349 242 3HG2 ILE 31 3HG2 ILE 31 0.101 8.615 6.759 243 1HD1 ILE 31 1HD1 ILE 31 3.759 10.177 6.862 244 2HD1 ILE 31 2HD1 ILE 31 3.561 8.752 7.883 245 3HD1 ILE 31 3HD1 ILE 31 2.191 9.823 7.585 246 H ILE 32 H ILE 32 2.217 4.345 5.157 247 HA ILE 32 HA ILE 32 -0.059 3.170 6.519 248 HB ILE 32 HB ILE 32 1.282 2.088 4.042 249 1HG1 ILE 32 2HG1 ILE 32 -0.955 4.124 4.164 250 2HG1 ILE 32 1HG1 ILE 32 0.709 4.491 3.724 251 1HG2 ILE 32 1HG2 ILE 32 -0.961 1.190 3.572 252 2HG2 ILE 32 2HG2 ILE 32 -1.544 1.874 5.090 253 3HG2 ILE 32 3HG2 ILE 32 -0.325 0.599 5.109 254 1HD1 ILE 32 1HD1 ILE 32 -1.123 2.625 2.251 255 2HD1 ILE 32 2HD1 ILE 32 0.538 3.013 1.804 256 3HD1 ILE 32 3HD1 ILE 32 -0.704 4.264 1.763 257 H GLU 33 H GLU 33 2.901 1.752 5.152 258 HA GLU 33 HA GLU 33 3.748 -0.298 5.292 259 1HB GLU 33 2HB GLU 33 4.703 -0.969 7.437 260 2HB GLU 33 1HB GLU 33 5.034 0.699 7.028 261 1HG GLU 33 2HG GLU 33 4.609 0.860 9.251 262 2HG GLU 33 1HG GLU 33 3.007 1.178 8.594 263 H GLY 34 H GLY 34 1.235 -0.300 7.879 264 1HA GLY 34 2HA GLY 34 0.083 -2.638 6.611 265 2HA GLY 34 1HA GLY 34 0.827 -2.951 8.170 266 H LYS 35 H LYS 35 -1.369 -0.501 6.761 267 HA LYS 35 HA LYS 35 -3.272 -1.209 8.884 268 1HB LYS 35 2HB LYS 35 -2.589 1.597 8.000 269 2HB LYS 35 1HB LYS 35 -4.056 1.201 8.875 270 1HG LYS 35 2HG LYS 35 -2.669 1.946 10.544 271 2HG LYS 35 1HG LYS 35 -2.438 0.198 10.632 272 1HD LYS 35 2HD LYS 35 -0.386 0.345 9.418 273 2HD LYS 35 1HD LYS 35 -0.653 2.053 9.073 274 1HE LYS 35 2HE LYS 35 -0.480 2.547 11.468 275 2HE LYS 35 1HE LYS 35 -0.182 0.839 11.792 276 1HZ LYS 35 1HZ LYS 35 1.529 2.565 10.087 277 2HZ LYS 35 2HZ LYS 35 1.826 0.946 10.496 278 3HZ LYS 35 3HZ LYS 35 1.869 2.148 11.695 279 H ARG 36 H ARG 36 -5.111 -1.856 8.078 280 HA ARG 36 HA ARG 36 -5.875 -1.721 5.384 281 1HB ARG 36 2HB ARG 36 -6.788 -3.375 6.918 282 2HB ARG 36 1HB ARG 36 -7.490 -2.116 7.916 283 1HG ARG 36 2HG ARG 36 -8.356 -2.356 5.074 284 2HG ARG 36 1HG ARG 36 -8.960 -3.506 6.264 285 1HD ARG 36 2HD ARG 36 -9.630 -1.508 7.664 286 2HD ARG 36 1HD ARG 36 -9.273 -0.513 6.255 287 HE ARG 36 HE ARG 36 -11.014 -2.539 5.453 288 1HH1 ARG 36 1HH1 ARG 36 -11.030 0.224 7.599 289 2HH1 ARG 36 2HH1 ARG 36 -12.725 0.543 7.388 290 1HH2 ARG 36 1HH2 ARG 36 -13.258 -2.139 5.182 291 2HH2 ARG 36 2HH2 ARG 36 -13.989 -0.795 6.001 292 H ASP 37 H ASP 37 -6.543 0.307 8.167 293 HA ASP 37 HA ASP 37 -8.432 2.038 6.988 294 1HB ASP 37 2HB ASP 37 -8.051 1.840 9.424 295 2HB ASP 37 1HB ASP 37 -6.468 2.583 9.228 296 H GLN 38 H GLN 38 -4.918 2.214 7.294 297 HA GLN 38 HA GLN 38 -4.648 4.836 6.286 298 1HB GLN 38 2HB GLN 38 -2.804 2.597 6.895 299 2HB GLN 38 1HB GLN 38 -2.215 3.840 5.800 300 1HG GLN 38 2HG GLN 38 -3.347 4.372 8.537 301 2HG GLN 38 1HG GLN 38 -1.627 4.240 8.164 302 1HE2 GLN 38 1HE2 GLN 38 -3.198 6.512 9.203 303 2HE2 GLN 38 2HE2 GLN 38 -2.901 7.806 8.096 304 H LEU 39 H LEU 39 -4.439 1.658 4.700 305 HA LEU 39 HA LEU 39 -3.560 2.727 2.234 306 1HB LEU 39 2HB LEU 39 -3.331 0.335 2.880 307 2HB LEU 39 1HB LEU 39 -5.062 0.148 2.659 308 HG LEU 39 HG LEU 39 -4.858 0.663 0.290 309 1HD1 LEU 39 1HD1 LEU 39 -3.024 2.249 0.392 310 2HD1 LEU 39 2HD1 LEU 39 -2.652 0.953 -0.744 311 3HD1 LEU 39 3HD1 LEU 39 -1.911 0.961 0.857 312 1HD2 LEU 39 1HD2 LEU 39 -4.582 -1.659 0.942 313 2HD2 LEU 39 2HD2 LEU 39 -2.854 -1.400 1.186 314 3HD2 LEU 39 3HD2 LEU 39 -3.543 -1.270 -0.431 315 H VAL 40 H VAL 40 -6.782 1.987 3.517 316 HA VAL 40 HA VAL 40 -8.312 2.569 1.268 317 HB VAL 40 HB VAL 40 -8.929 3.082 4.186 318 1HG1 VAL 40 1HG1 VAL 40 -10.826 3.146 1.842 319 2HG1 VAL 40 2HG1 VAL 40 -10.285 4.552 2.758 320 3HG1 VAL 40 3HG1 VAL 40 -11.264 3.313 3.545 321 1HG2 VAL 40 1HG2 VAL 40 -10.320 1.074 3.959 322 2HG2 VAL 40 2HG2 VAL 40 -8.625 0.738 3.610 323 3HG2 VAL 40 3HG2 VAL 40 -9.782 0.900 2.289 324 H GLY 41 H GLY 41 -7.200 4.775 3.824 325 1HA GLY 41 2HA GLY 41 -8.223 7.140 2.706 326 2HA GLY 41 1HA GLY 41 -6.870 7.049 3.825 327 H LYS 42 H LYS 42 -5.001 5.672 2.395 328 HA LYS 42 HA LYS 42 -3.877 7.705 0.845 329 1HB LYS 42 2HB LYS 42 -3.196 4.842 1.306 330 2HB LYS 42 1HB LYS 42 -2.367 5.710 0.023 331 1HG LYS 42 2HG LYS 42 -2.253 6.116 2.971 332 2HG LYS 42 1HG LYS 42 -0.942 6.042 1.788 333 1HD LYS 42 2HD LYS 42 -1.851 8.232 0.874 334 2HD LYS 42 1HD LYS 42 -2.821 8.320 2.346 335 1HE LYS 42 2HE LYS 42 -0.738 8.103 3.664 336 2HE LYS 42 1HE LYS 42 0.176 8.169 2.156 337 1HZ LYS 42 1HZ LYS 42 0.151 10.333 3.093 338 2HZ LYS 42 2HZ LYS 42 -1.531 10.303 3.312 339 3HZ LYS 42 3HZ LYS 42 -0.881 10.365 1.749 340 H ILE 43 H ILE 43 -5.559 4.742 -0.218 341 HA ILE 43 HA ILE 43 -5.153 5.117 -2.965 342 HB ILE 43 HB ILE 43 -7.573 3.897 -1.620 343 1HG1 ILE 43 2HG1 ILE 43 -5.052 2.629 -2.720 344 2HG1 ILE 43 1HG1 ILE 43 -5.437 2.821 -1.012 345 1HG2 ILE 43 1HG2 ILE 43 -6.572 3.627 -4.458 346 2HG2 ILE 43 2HG2 ILE 43 -8.027 4.483 -3.943 347 3HG2 ILE 43 3HG2 ILE 43 -7.919 2.735 -3.747 348 1HD1 ILE 43 1HD1 ILE 43 -6.983 1.152 -2.986 349 2HD1 ILE 43 2HD1 ILE 43 -7.346 1.332 -1.268 350 3HD1 ILE 43 3HD1 ILE 43 -5.848 0.552 -1.776 351 H GLN 44 H GLN 44 -7.624 6.468 -0.820 352 HA GLN 44 HA GLN 44 -9.163 7.776 -2.813 353 1HB GLN 44 2HB GLN 44 -8.813 8.630 0.063 354 2HB GLN 44 1HB GLN 44 -10.138 9.053 -1.006 355 1HG GLN 44 2HG GLN 44 -10.832 6.692 -1.035 356 2HG GLN 44 1HG GLN 44 -9.523 6.318 0.085 357 1HE2 GLN 44 1HE2 GLN 44 -10.895 5.641 1.705 358 2HE2 GLN 44 2HE2 GLN 44 -11.890 6.731 2.605 359 H GLU 45 H GLU 45 -6.235 8.607 -1.138 360 HA GLU 45 HA GLU 45 -6.459 11.429 -1.823 361 1HB GLU 45 2HB GLU 45 -4.347 9.910 -0.288 362 2HB GLU 45 1HB GLU 45 -4.324 11.646 -0.553 363 1HG GLU 45 2HG GLU 45 -6.420 11.866 0.679 364 2HG GLU 45 1HG GLU 45 -6.445 10.122 0.943 365 H ARG 46 H ARG 46 -4.587 8.617 -2.704 366 HA ARG 46 HA ARG 46 -2.632 10.099 -4.191 367 1HB ARG 46 2HB ARG 46 -2.497 7.759 -2.979 368 2HB ARG 46 1HB ARG 46 -3.037 7.158 -4.537 369 1HG ARG 46 2HG ARG 46 -0.680 7.018 -4.480 370 2HG ARG 46 1HG ARG 46 -1.101 8.333 -5.576 371 1HD ARG 46 2HD ARG 46 -0.391 8.763 -2.685 372 2HD ARG 46 1HD ARG 46 0.804 8.756 -3.974 373 HE ARG 46 HE ARG 46 -0.778 10.603 -4.920 374 1HH1 ARG 46 1HH1 ARG 46 0.145 10.100 -1.558 375 2HH1 ARG 46 2HH1 ARG 46 0.049 11.794 -1.166 376 1HH2 ARG 46 1HH2 ARG 46 -0.903 12.819 -4.376 377 2HH2 ARG 46 2HH2 ARG 46 -0.552 13.322 -2.746 378 H TYR 47 H TYR 47 -5.079 7.676 -5.165 379 HA TYR 47 HA TYR 47 -4.968 8.586 -7.921 380 1HB TYR 47 2HB TYR 47 -6.740 6.571 -6.535 381 2HB TYR 47 1HB TYR 47 -6.832 6.942 -8.251 382 HD1 TYR 47 1HD TYR 47 -4.835 5.367 -5.620 383 HD2 TYR 47 2HD TYR 47 -5.174 6.130 -9.788 384 HE1 TYR 47 1HE TYR 47 -3.132 3.667 -6.063 385 HE2 TYR 47 2HE TYR 47 -3.463 4.429 -10.246 386 HH TYR 47 HH TYR 47 -2.505 2.158 -8.067 387 H GLY 48 H GLY 48 -7.277 8.609 -5.261 388 1HA GLY 48 2HA GLY 48 -8.679 10.586 -4.947 389 2HA GLY 48 1HA GLY 48 -8.785 10.708 -6.697 390 H TYR 49 H TYR 49 -9.022 7.617 -5.125 391 HA TYR 49 HA TYR 49 -11.625 7.178 -6.257 392 1HB TYR 49 2HB TYR 49 -9.832 5.493 -4.519 393 2HB TYR 49 1HB TYR 49 -11.432 4.966 -5.023 394 HD1 TYR 49 1HD TYR 49 -8.025 4.868 -5.785 395 HD2 TYR 49 2HD TYR 49 -11.846 5.115 -7.642 396 HE1 TYR 49 1HE TYR 49 -7.075 3.951 -7.867 397 HE2 TYR 49 2HE TYR 49 -10.905 4.212 -9.727 398 HH TYR 49 HH TYR 49 -7.846 2.762 -9.884 399 H GLN 50 H GLN 50 -13.326 6.122 -4.884 400 HA GLN 50 HA GLN 50 -13.862 7.757 -2.546 401 1HB GLN 50 2HB GLN 50 -15.512 5.689 -4.009 402 2HB GLN 50 1HB GLN 50 -16.067 6.546 -2.577 403 1HG GLN 50 2HG GLN 50 -15.299 7.819 -5.195 404 2HG GLN 50 1HG GLN 50 -16.943 7.526 -4.631 405 1HE2 GLN 50 1HE2 GLN 50 -14.085 9.459 -4.254 406 2HE2 GLN 50 2HE2 GLN 50 -14.799 10.680 -3.263 407 H LYS 51 H LYS 51 -14.747 6.625 -0.585 408 HA LYS 51 HA LYS 51 -12.826 4.938 0.528 409 1HB LYS 51 2HB LYS 51 -14.168 6.252 1.976 410 2HB LYS 51 1HB LYS 51 -15.657 5.604 1.311 411 1HG LYS 51 2HG LYS 51 -15.232 3.465 2.338 412 2HG LYS 51 1HG LYS 51 -13.667 4.032 2.929 413 1HD LYS 51 2HD LYS 51 -14.660 5.529 4.441 414 2HD LYS 51 1HD LYS 51 -16.232 5.421 3.644 415 1HE LYS 51 2HE LYS 51 -14.885 3.128 5.053 416 2HE LYS 51 1HE LYS 51 -16.078 4.186 5.806 417 1HZ LYS 51 1HZ LYS 51 -17.105 2.169 4.975 418 2HZ LYS 51 2HZ LYS 51 -16.533 2.480 3.412 419 3HZ LYS 51 3HZ LYS 51 -17.677 3.512 4.114 420 H ASP 52 H ASP 52 -15.979 4.210 -0.875 421 HA ASP 52 HA ASP 52 -16.152 1.493 -0.277 422 1HB ASP 52 2HB ASP 52 -18.004 2.755 -1.235 423 2HB ASP 52 1HB ASP 52 -17.110 2.989 -2.726 424 H GLN 53 H GLN 53 -14.871 3.042 -3.193 425 HA GLN 53 HA GLN 53 -14.060 0.674 -4.472 426 1HB GLN 53 2HB GLN 53 -14.432 2.769 -5.660 427 2HB GLN 53 1HB GLN 53 -13.102 3.520 -4.794 428 1HG GLN 53 2HG GLN 53 -12.379 2.956 -7.004 429 2HG GLN 53 1HG GLN 53 -11.558 1.902 -5.854 430 1HE2 GLN 53 1HE2 GLN 53 -12.063 -0.286 -5.804 431 2HE2 GLN 53 2HE2 GLN 53 -12.950 -1.053 -7.078 432 H ALA 54 H ALA 54 -12.420 2.907 -2.299 433 HA ALA 54 HA ALA 54 -9.822 1.858 -2.588 434 1HB ALA 54 1HB ALA 54 -11.042 3.281 -0.224 435 2HB ALA 54 2HB ALA 54 -10.256 4.047 -1.605 436 3HB ALA 54 3HB ALA 54 -9.320 3.034 -0.506 437 H GLU 55 H GLU 55 -12.404 1.150 -0.231 438 HA GLU 55 HA GLU 55 -10.985 -0.659 1.352 439 1HB GLU 55 2HB GLU 55 -13.915 -0.511 0.691 440 2HB GLU 55 1HB GLU 55 -13.253 -1.635 1.869 441 1HG GLU 55 2HG GLU 55 -12.359 0.309 3.129 442 2HG GLU 55 1HG GLU 55 -13.203 1.370 1.998 443 H LYS 56 H LYS 56 -12.757 -1.142 -1.653 444 HA LYS 56 HA LYS 56 -12.757 -3.933 -1.729 445 1HB LYS 56 2HB LYS 56 -12.573 -1.911 -3.963 446 2HB LYS 56 1HB LYS 56 -12.754 -3.635 -4.242 447 1HG LYS 56 2HG LYS 56 -14.883 -3.581 -3.006 448 2HG LYS 56 1HG LYS 56 -14.702 -1.834 -2.824 449 1HD LYS 56 2HD LYS 56 -16.147 -2.208 -4.684 450 2HD LYS 56 1HD LYS 56 -14.595 -1.673 -5.325 451 1HE LYS 56 2HE LYS 56 -15.385 -4.574 -5.106 452 2HE LYS 56 1HE LYS 56 -15.704 -3.601 -6.537 453 1HZ LYS 56 1HZ LYS 56 -13.003 -4.123 -5.399 454 2HZ LYS 56 2HZ LYS 56 -13.340 -3.269 -6.826 455 3HZ LYS 56 3HZ LYS 56 -13.671 -4.925 -6.727 456 H GLU 57 H GLU 57 -10.407 -1.645 -3.069 457 HA GLU 57 HA GLU 57 -8.707 -3.719 -4.025 458 1HB GLU 57 2HB GLU 57 -8.015 -0.811 -3.641 459 2HB GLU 57 1HB GLU 57 -7.245 -1.956 -4.732 460 1HG GLU 57 2HG GLU 57 -9.979 -0.737 -4.942 461 2HG GLU 57 1HG GLU 57 -8.631 -0.610 -6.070 462 H VAL 58 H VAL 58 -8.899 -1.890 -1.056 463 HA VAL 58 HA VAL 58 -6.303 -2.510 -0.092 464 HB VAL 58 HB VAL 58 -8.824 -1.810 1.424 465 1HG1 VAL 58 1HG1 VAL 58 -7.344 -1.376 3.346 466 2HG1 VAL 58 2HG1 VAL 58 -5.988 -2.038 2.433 467 3HG1 VAL 58 3HG1 VAL 58 -7.341 -3.077 2.878 468 1HG2 VAL 58 1HG2 VAL 58 -7.972 -0.038 -0.018 469 2HG2 VAL 58 2HG2 VAL 58 -6.384 -0.182 0.739 470 3HG2 VAL 58 3HG2 VAL 58 -7.767 0.368 1.685 471 H VAL 59 H VAL 59 -9.488 -3.910 0.725 472 HA VAL 59 HA VAL 59 -8.497 -5.924 2.404 473 HB VAL 59 HB VAL 59 -11.057 -5.923 0.792 474 1HG1 VAL 59 1HG1 VAL 59 -11.882 -7.536 2.432 475 2HG1 VAL 59 2HG1 VAL 59 -10.300 -7.558 3.212 476 3HG1 VAL 59 3HG1 VAL 59 -10.480 -8.168 1.566 477 1HG2 VAL 59 1HG2 VAL 59 -10.478 -5.023 3.611 478 2HG2 VAL 59 2HG2 VAL 59 -12.085 -5.145 2.896 479 3HG2 VAL 59 3HG2 VAL 59 -10.914 -3.996 2.247 480 H ASP 60 H ASP 60 -8.976 -5.824 -1.068 481 HA ASP 60 HA ASP 60 -8.592 -8.555 -1.617 482 1HB ASP 60 2HB ASP 60 -9.415 -6.811 -3.235 483 2HB ASP 60 1HB ASP 60 -7.758 -6.237 -3.369 484 H TRP 61 H TRP 61 -6.214 -5.902 -1.985 485 HA TRP 61 HA TRP 61 -3.990 -7.558 -2.362 486 1HB TRP 61 2HB TRP 61 -3.992 -5.133 -2.870 487 2HB TRP 61 1HB TRP 61 -4.024 -4.782 -1.143 488 HD1 TRP 61 HD TRP 61 -1.685 -5.784 -3.947 489 HE1 TRP 61 1HE TRP 61 0.738 -5.791 -3.086 490 HE3 TRP 61 3HE TRP 61 -2.596 -5.196 1.055 491 HZ2 TRP 61 2HZ TRP 61 2.085 -5.590 -0.603 492 HZ3 TRP 61 3HZ TRP 61 -0.690 -5.119 2.603 493 HH2 TRP 61 HH TRP 61 1.603 -5.312 1.790 494 H GLU 62 H GLU 62 -5.377 -6.190 0.565 495 HA GLU 62 HA GLU 62 -3.442 -6.836 2.418 496 1HB GLU 62 2HB GLU 62 -5.171 -5.489 3.204 497 2HB GLU 62 1HB GLU 62 -6.420 -6.548 2.565 498 1HG GLU 62 2HG GLU 62 -6.172 -8.083 4.302 499 2HG GLU 62 1HG GLU 62 -4.622 -7.415 4.790 500 H THR 63 H THR 63 -6.190 -8.827 1.374 501 HA THR 63 HA THR 63 -5.574 -10.986 3.099 502 HB THR 63 HB THR 63 -7.185 -11.034 0.553 503 HG1 THR 63 1HG THR 63 -8.072 -9.476 1.874 504 1HG2 THR 63 1HG2 THR 63 -6.650 -13.262 1.416 505 2HG2 THR 63 2HG2 THR 63 -8.367 -12.907 1.611 506 3HG2 THR 63 3HG2 THR 63 -7.281 -12.804 2.998 507 H ARG 64 H ARG 64 -4.495 -10.095 -0.099 508 HA ARG 64 HA ARG 64 -3.557 -12.641 -0.928 509 1HB ARG 64 2HB ARG 64 -2.547 -9.909 -1.730 510 2HB ARG 64 1HB ARG 64 -2.225 -11.411 -2.577 511 1HG ARG 64 2HG ARG 64 -4.572 -11.621 -3.151 512 2HG ARG 64 1HG ARG 64 -4.940 -10.152 -2.238 513 1HD ARG 64 2HD ARG 64 -3.387 -8.910 -3.724 514 2HD ARG 64 1HD ARG 64 -3.190 -10.374 -4.683 515 HE ARG 64 HE ARG 64 -5.938 -9.575 -4.385 516 1HH1 ARG 64 1HH1 ARG 64 -2.982 -9.028 -6.199 517 2HH1 ARG 64 2HH1 ARG 64 -3.814 -8.451 -7.618 518 1HH2 ARG 64 1HH2 ARG 64 -7.026 -8.804 -6.249 519 2HH2 ARG 64 2HH2 ARG 64 -6.105 -8.358 -7.658 520 H ASN 65 H ASN 65 -2.045 -9.981 0.835 521 HA ASN 65 HA ASN 65 0.496 -11.458 0.876 522 1HB ASN 65 2HB ASN 65 -0.152 -8.539 1.254 523 2HB ASN 65 1HB ASN 65 1.428 -9.216 1.644 524 1HD2 ASN 65 1HD2 ASN 65 -0.842 -8.520 -0.916 525 2HD2 ASN 65 2HD2 ASN 65 0.278 -8.707 -2.225 526 H GLU 66 H GLU 66 -1.812 -9.850 2.978 527 HA GLU 66 HA GLU 66 -2.574 -10.532 5.012 528 1HB GLU 66 2HB GLU 66 -0.358 -12.553 4.809 529 2HB GLU 66 1HB GLU 66 -1.350 -12.390 6.251 530 1HG GLU 66 2HG GLU 66 -2.456 -12.926 3.504 531 2HG GLU 66 1HG GLU 66 -2.080 -14.179 4.686 532 H TYR 67 H TYR 67 0.241 -9.019 4.344 533 HA TYR 67 HA TYR 67 1.182 -8.694 7.049 534 1HB TYR 67 2HB TYR 67 2.785 -8.585 5.207 535 2HB TYR 67 1HB TYR 67 1.920 -7.220 4.510 536 HD1 TYR 67 1HD TYR 67 3.896 -8.277 7.474 537 HD2 TYR 67 2HD TYR 67 2.402 -5.021 5.181 538 HE1 TYR 67 1HE TYR 67 5.297 -6.727 8.771 539 HE2 TYR 67 2HE TYR 67 3.801 -3.465 6.469 540 HH TYR 67 HH TYR 67 4.879 -3.389 8.731 541 H ARG 68 H ARG 68 -0.191 -7.692 8.375 542 HA ARG 68 HA ARG 68 -0.856 -4.924 7.701 543 1HB ARG 68 2HB ARG 68 -2.908 -6.261 7.309 544 2HB ARG 68 1HB ARG 68 -2.835 -6.829 8.973 545 1HG ARG 68 2HG ARG 68 -2.767 -4.185 9.412 546 2HG ARG 68 1HG ARG 68 -3.668 -4.209 7.896 547 1HD ARG 68 2HD ARG 68 -4.403 -5.942 10.237 548 2HD ARG 68 1HD ARG 68 -5.011 -4.301 10.056 549 HE ARG 68 HE ARG 68 -5.577 -5.594 7.669 550 1HH1 ARG 68 1HH1 ARG 68 -6.363 -6.008 11.060 551 2HH1 ARG 68 2HH1 ARG 68 -7.935 -6.687 10.764 552 1HH2 ARG 68 1HH2 ARG 68 -7.645 -6.467 7.248 553 2HH2 ARG 68 2HH2 ARG 68 -8.670 -6.945 8.582 554 H TRP 69 H TRP 69 -1.743 -6.968 10.458 555 HA TRP 69 HA TRP 69 -0.578 -4.942 12.216 556 1HB TRP 69 2HB TRP 69 -3.013 -6.351 12.253 557 2HB TRP 69 1HB TRP 69 -2.068 -7.018 13.579 558 HD1 TRP 69 HD TRP 69 -0.954 -4.943 15.232 559 HE1 TRP 69 1HE TRP 69 -2.209 -2.892 16.160 560 HE3 TRP 69 3HE TRP 69 -4.859 -4.824 11.937 561 HZ2 TRP 69 2HZ TRP 69 -4.544 -1.428 15.572 562 HZ3 TRP 69 3HZ TRP 69 -6.563 -3.069 12.191 563 HH2 TRP 69 HH TRP 69 -6.408 -1.406 13.972 Start of MODEL 11 1 1H MET 1 1HT MET 1 -2.966 -12.306 14.976 2 2H MET 1 2HT MET 1 -2.344 -13.783 14.422 3 3H MET 1 3HT MET 1 -2.551 -12.492 13.343 4 HA MET 1 HA MET 1 -0.684 -12.520 15.642 5 1HB MET 1 2HB MET 1 -0.169 -12.739 12.668 6 2HB MET 1 1HB MET 1 1.080 -12.500 13.879 7 1HG MET 1 2HG MET 1 0.523 -14.662 14.876 8 2HG MET 1 1HG MET 1 -0.725 -14.897 13.652 9 1HE MET 1 1HE MET 1 1.992 -17.455 12.529 10 2HE MET 1 2HE MET 1 0.283 -17.213 12.898 11 3HE MET 1 3HE MET 1 1.492 -17.051 14.172 12 H ASN 2 H ASN 2 0.716 -10.684 15.701 13 HA ASN 2 HA ASN 2 -0.439 -8.280 14.520 14 1HB ASN 2 2HB ASN 2 0.957 -7.031 16.076 15 2HB ASN 2 1HB ASN 2 0.072 -8.267 16.960 16 1HD2 ASN 2 1HD2 ASN 2 3.188 -7.163 15.918 17 2HD2 ASN 2 2HD2 ASN 2 4.119 -8.294 16.841 18 H LYS 3 H LYS 3 1.137 -6.687 13.559 19 HA LYS 3 HA LYS 3 3.011 -8.079 11.861 20 1HB LYS 3 2HB LYS 3 1.984 -5.291 12.008 21 2HB LYS 3 1HB LYS 3 3.552 -5.543 11.255 22 1HG LYS 3 2HG LYS 3 2.297 -7.379 9.901 23 2HG LYS 3 1HG LYS 3 0.859 -6.476 10.384 24 1HD LYS 3 2HD LYS 3 3.221 -5.109 9.131 25 2HD LYS 3 1HD LYS 3 1.988 -5.889 8.145 26 1HE LYS 3 2HE LYS 3 1.570 -3.494 8.389 27 2HE LYS 3 1HE LYS 3 0.280 -4.454 9.099 28 1HZ LYS 3 1HZ LYS 3 2.494 -3.305 10.702 29 2HZ LYS 3 2HZ LYS 3 1.026 -3.958 11.262 30 3HZ LYS 3 3HZ LYS 3 1.041 -2.493 10.422 31 H ASP 4 H ASP 4 5.162 -8.096 11.977 32 HA ASP 4 HA ASP 4 6.397 -7.347 14.470 33 1HB ASP 4 2HB ASP 4 6.955 -9.427 13.084 34 2HB ASP 4 1HB ASP 4 7.802 -8.344 11.984 35 H GLU 5 H GLU 5 8.554 -6.127 14.349 36 HA GLU 5 HA GLU 5 8.119 -3.505 13.630 37 1HB GLU 5 2HB GLU 5 10.609 -3.244 13.840 38 2HB GLU 5 1HB GLU 5 9.833 -4.047 15.200 39 1HG GLU 5 2HG GLU 5 10.477 -6.230 14.099 40 2HG GLU 5 1HG GLU 5 11.491 -5.272 13.020 41 H ALA 6 H ALA 6 8.722 -2.186 11.930 42 HA ALA 6 HA ALA 6 8.348 -3.391 9.402 43 1HB ALA 6 1HB ALA 6 9.139 -0.551 10.028 44 2HB ALA 6 2HB ALA 6 7.487 -1.166 9.940 45 3HB ALA 6 3HB ALA 6 8.498 -1.142 8.495 46 H GLY 7 H GLY 7 9.994 -4.798 9.024 47 1HA GLY 7 2HA GLY 7 12.266 -3.671 7.665 48 2HA GLY 7 1HA GLY 7 12.694 -4.575 9.118 49 H GLY 8 H GLY 8 13.014 -5.105 6.106 50 1HA GLY 8 2HA GLY 8 12.927 -6.975 4.745 51 2HA GLY 8 1HA GLY 8 12.259 -7.869 6.107 52 H ASN 9 H ASN 9 9.953 -7.175 6.685 53 HA ASN 9 HA ASN 9 8.237 -7.548 4.469 54 1HB ASN 9 2HB ASN 9 6.401 -6.996 6.065 55 2HB ASN 9 1HB ASN 9 7.502 -8.223 6.675 56 1HD2 ASN 9 1HD2 ASN 9 8.647 -7.832 8.518 57 2HD2 ASN 9 2HD2 ASN 9 8.455 -6.407 9.480 58 H TRP 10 H TRP 10 9.460 -4.736 6.099 59 HA TRP 10 HA TRP 10 7.818 -2.735 5.092 60 1HB TRP 10 2HB TRP 10 9.516 -2.371 6.830 61 2HB TRP 10 1HB TRP 10 10.793 -2.654 5.655 62 HD1 TRP 10 HD TRP 10 11.685 -0.581 4.409 63 HE1 TRP 10 1HE TRP 10 10.993 1.896 4.261 64 HE3 TRP 10 3HE TRP 10 7.207 -0.856 6.845 65 HZ2 TRP 10 2HZ TRP 10 8.822 3.511 5.076 66 HZ3 TRP 10 3HZ TRP 10 5.883 1.195 7.119 67 HH2 TRP 10 HH TRP 10 6.676 3.333 6.252 68 H LYS 11 H LYS 11 10.767 -4.146 3.725 69 HA LYS 11 HA LYS 11 10.727 -2.568 1.358 70 1HB LYS 11 2HB LYS 11 12.121 -5.184 1.963 71 2HB LYS 11 1HB LYS 11 12.406 -4.211 0.529 72 1HG LYS 11 2HG LYS 11 13.206 -2.372 1.934 73 2HG LYS 11 1HG LYS 11 12.926 -3.358 3.371 74 1HD LYS 11 2HD LYS 11 14.558 -4.978 2.633 75 2HD LYS 11 1HD LYS 11 14.770 -4.120 1.107 76 1HE LYS 11 2HE LYS 11 16.611 -3.628 2.597 77 2HE LYS 11 1HE LYS 11 15.643 -2.179 2.345 78 1HZ LYS 11 1HZ LYS 11 16.342 -2.588 4.684 79 2HZ LYS 11 2HZ LYS 11 15.337 -3.955 4.703 80 3HZ LYS 11 3HZ LYS 11 14.670 -2.409 4.477 81 H GLN 12 H GLN 12 9.473 -5.727 2.247 82 HA GLN 12 HA GLN 12 8.854 -6.641 -0.335 83 1HB GLN 12 2HB GLN 12 7.690 -7.326 2.359 84 2HB GLN 12 1HB GLN 12 7.228 -8.153 0.878 85 1HG GLN 12 2HG GLN 12 9.490 -8.925 0.555 86 2HG GLN 12 1HG GLN 12 10.033 -8.006 1.958 87 1HE2 GLN 12 1HE2 GLN 12 10.811 -9.863 2.966 88 2HE2 GLN 12 2HE2 GLN 12 9.758 -11.041 3.669 89 H PHE 13 H PHE 13 6.782 -4.959 2.065 90 HA PHE 13 HA PHE 13 4.600 -4.983 0.173 91 1HB PHE 13 2HB PHE 13 4.823 -3.835 2.949 92 2HB PHE 13 1HB PHE 13 3.354 -3.763 1.963 93 HD1 PHE 13 1HD PHE 13 2.704 -6.073 0.862 94 HD2 PHE 13 2HD PHE 13 5.030 -5.597 4.383 95 HE1 PHE 13 1HE PHE 13 2.241 -8.359 1.447 96 HE2 PHE 13 2HE PHE 13 4.544 -7.909 5.007 97 HZ PHE 13 HZ PHE 13 3.134 -9.321 3.549 98 H LYS 14 H LYS 14 7.046 -2.746 1.156 99 HA LYS 14 HA LYS 14 5.945 -0.444 -0.027 100 1HB LYS 14 2HB LYS 14 8.030 -0.250 1.188 101 2HB LYS 14 1HB LYS 14 8.838 -1.326 0.052 102 1HG LYS 14 2HG LYS 14 8.619 0.291 -1.715 103 2HG LYS 14 1HG LYS 14 7.666 1.350 -0.679 104 1HD LYS 14 2HD LYS 14 10.497 0.542 -0.057 105 2HD LYS 14 1HD LYS 14 10.084 1.987 -0.983 106 1HE LYS 14 2HE LYS 14 8.652 2.694 0.954 107 2HE LYS 14 1HE LYS 14 9.349 1.356 1.867 108 1HZ LYS 14 1HZ LYS 14 11.547 2.317 1.524 109 2HZ LYS 14 2HZ LYS 14 10.517 3.411 2.313 110 3HZ LYS 14 3HZ LYS 14 10.859 3.618 0.666 111 H GLY 15 H GLY 15 7.814 -3.098 -1.430 112 1HA GLY 15 2HA GLY 15 7.539 -2.138 -4.114 113 2HA GLY 15 1HA GLY 15 8.116 -3.725 -3.628 114 H LYS 16 H LYS 16 5.735 -4.383 -2.075 115 HA LYS 16 HA LYS 16 4.211 -5.541 -4.161 116 1HB LYS 16 2HB LYS 16 4.565 -6.358 -1.732 117 2HB LYS 16 1HB LYS 16 3.234 -5.280 -1.330 118 1HG LYS 16 2HG LYS 16 2.443 -7.547 -1.672 119 2HG LYS 16 1HG LYS 16 1.795 -6.464 -2.910 120 1HD LYS 16 2HD LYS 16 3.539 -7.209 -4.457 121 2HD LYS 16 1HD LYS 16 4.168 -8.298 -3.227 122 1HE LYS 16 2HE LYS 16 2.133 -9.583 -3.258 123 2HE LYS 16 1HE LYS 16 1.379 -8.432 -4.359 124 1HZ LYS 16 1HZ LYS 16 3.798 -10.028 -5.011 125 2HZ LYS 16 2HZ LYS 16 2.914 -9.037 -6.072 126 3HZ LYS 16 3HZ LYS 16 2.220 -10.462 -5.463 127 H VAL 17 H VAL 17 3.405 -3.003 -1.783 128 HA VAL 17 HA VAL 17 0.933 -2.295 -2.899 129 HB VAL 17 HB VAL 17 2.895 -0.563 -1.383 130 1HG1 VAL 17 1HG1 VAL 17 -0.009 -0.038 -2.012 131 2HG1 VAL 17 2HG1 VAL 17 1.370 0.842 -2.670 132 3HG1 VAL 17 3HG1 VAL 17 1.010 0.933 -0.948 133 1HG2 VAL 17 1HG2 VAL 17 1.418 -0.994 0.517 134 2HG2 VAL 17 2HG2 VAL 17 2.079 -2.492 -0.139 135 3HG2 VAL 17 3HG2 VAL 17 0.416 -2.031 -0.499 136 H LYS 18 H LYS 18 4.217 -1.279 -3.801 137 HA LYS 18 HA LYS 18 3.278 0.637 -5.717 138 1HB LYS 18 2HB LYS 18 5.973 -0.605 -5.228 139 2HB LYS 18 1HB LYS 18 5.680 0.467 -6.592 140 1HG LYS 18 2HG LYS 18 4.908 2.197 -4.973 141 2HG LYS 18 1HG LYS 18 5.424 1.127 -3.669 142 1HD LYS 18 2HD LYS 18 7.709 1.161 -4.555 143 2HD LYS 18 1HD LYS 18 7.189 2.240 -5.850 144 1HE LYS 18 2HE LYS 18 6.508 3.893 -4.137 145 2HE LYS 18 1HE LYS 18 7.152 2.823 -2.892 146 1HZ LYS 18 1HZ LYS 18 8.652 4.224 -5.033 147 2HZ LYS 18 2HZ LYS 18 9.325 2.975 -4.105 148 3HZ LYS 18 3HZ LYS 18 8.818 4.406 -3.349 149 H GLU 19 H GLU 19 3.488 -2.735 -5.708 150 HA GLU 19 HA GLU 19 3.562 -3.016 -8.598 151 1HB GLU 19 2HB GLU 19 4.601 -4.735 -7.203 152 2HB GLU 19 1HB GLU 19 3.083 -5.007 -6.365 153 1HG GLU 19 2HG GLU 19 2.101 -5.780 -8.506 154 2HG GLU 19 1HG GLU 19 3.697 -5.623 -9.243 155 H GLN 20 H GLN 20 1.283 -3.441 -5.950 156 HA GLN 20 HA GLN 20 -0.935 -4.098 -7.626 157 1HB GLN 20 2HB GLN 20 -1.331 -5.074 -5.649 158 2HB GLN 20 1HB GLN 20 -0.288 -3.960 -4.789 159 1HG GLN 20 2HG GLN 20 -2.342 -3.639 -3.819 160 2HG GLN 20 1HG GLN 20 -2.220 -2.309 -4.961 161 1HE2 GLN 20 1HE2 GLN 20 -4.413 -2.054 -4.931 162 2HE2 GLN 20 2HE2 GLN 20 -5.494 -3.133 -5.714 163 H TRP 21 H TRP 21 0.155 -1.177 -5.949 164 HA TRP 21 HA TRP 21 -1.901 0.349 -7.422 165 1HB TRP 21 2HB TRP 21 -0.594 0.897 -4.754 166 2HB TRP 21 1HB TRP 21 -1.424 2.152 -5.661 167 HD1 TRP 21 HD TRP 21 -4.098 1.605 -6.217 168 HE1 TRP 21 1HE TRP 21 -5.835 0.409 -4.754 169 HE3 TRP 21 3HE TRP 21 -0.921 -0.778 -3.018 170 HZ2 TRP 21 2HZ TRP 21 -5.850 -1.320 -2.521 171 HZ3 TRP 21 3HZ TRP 21 -1.875 -2.189 -1.246 172 HH2 TRP 21 HH TRP 21 -4.290 -2.453 -1.004 173 H GLY 22 H GLY 22 1.184 1.254 -5.910 174 1HA GLY 22 2HA GLY 22 3.156 1.963 -6.917 175 2HA GLY 22 1HA GLY 22 2.435 1.633 -8.486 176 H LYS 23 H LYS 23 0.077 3.281 -7.447 177 HA LYS 23 HA LYS 23 0.880 5.814 -8.460 178 1HB LYS 23 2HB LYS 23 -1.431 4.976 -8.707 179 2HB LYS 23 1HB LYS 23 -1.619 4.959 -6.962 180 1HG LYS 23 2HG LYS 23 -2.251 7.040 -6.950 181 2HG LYS 23 1HG LYS 23 -0.804 7.550 -7.814 182 1HD LYS 23 2HD LYS 23 -3.063 6.280 -9.301 183 2HD LYS 23 1HD LYS 23 -3.173 7.974 -8.838 184 1HE LYS 23 2HE LYS 23 -2.321 7.768 -11.099 185 2HE LYS 23 1HE LYS 23 -1.085 8.433 -10.036 186 1HZ LYS 23 1HZ LYS 23 -1.228 5.566 -10.805 187 2HZ LYS 23 2HZ LYS 23 0.034 6.356 -10.000 188 3HZ LYS 23 3HZ LYS 23 -0.287 6.716 -11.617 189 H LEU 24 H LEU 24 1.215 4.280 -5.497 190 HA LEU 24 HA LEU 24 1.127 6.672 -3.860 191 1HB LEU 24 2HB LEU 24 1.407 3.747 -3.338 192 2HB LEU 24 1HB LEU 24 1.896 4.895 -2.107 193 HG LEU 24 HG LEU 24 -0.845 4.950 -3.346 194 1HD1 LEU 24 1HD1 LEU 24 -1.646 3.781 -1.380 195 2HD1 LEU 24 2HD1 LEU 24 0.006 3.591 -0.795 196 3HD1 LEU 24 3HD1 LEU 24 -0.509 2.772 -2.272 197 1HD2 LEU 24 1HD2 LEU 24 0.249 6.909 -2.076 198 2HD2 LEU 24 2HD2 LEU 24 -0.035 5.920 -0.642 199 3HD2 LEU 24 3HD2 LEU 24 -1.388 6.418 -1.661 200 H THR 25 H THR 25 2.872 7.374 -2.564 201 HA THR 25 HA THR 25 5.481 6.831 -3.816 202 HB THR 25 HB THR 25 6.089 9.156 -3.139 203 HG1 THR 25 1HG THR 25 3.386 9.106 -2.283 204 1HG2 THR 25 1HG2 THR 25 5.416 8.671 -5.418 205 2HG2 THR 25 2HG2 THR 25 4.784 10.245 -4.933 206 3HG2 THR 25 3HG2 THR 25 3.717 8.839 -4.979 207 H ASP 26 H ASP 26 7.338 7.577 -2.258 208 HA ASP 26 HA ASP 26 7.321 5.547 -0.334 209 1HB ASP 26 2HB ASP 26 9.246 7.498 -1.303 210 2HB ASP 26 1HB ASP 26 9.447 7.144 0.411 211 H ASP 27 H ASP 27 6.844 9.043 0.110 212 HA ASP 27 HA ASP 27 6.911 9.026 2.919 213 1HB ASP 27 2HB ASP 27 6.891 11.146 1.836 214 2HB ASP 27 1HB ASP 27 5.385 10.788 0.999 215 H ASP 28 H ASP 28 4.318 8.325 0.640 216 HA ASP 28 HA ASP 28 2.198 8.176 2.497 217 1HB ASP 28 2HB ASP 28 2.540 6.636 -0.081 218 2HB ASP 28 1HB ASP 28 1.047 6.829 0.796 219 H MET 29 H MET 29 4.304 5.761 1.083 220 HA MET 29 HA MET 29 3.276 3.462 2.246 221 1HB MET 29 2HB MET 29 6.229 3.760 1.896 222 2HB MET 29 1HB MET 29 5.201 2.386 1.536 223 1HG MET 29 2HG MET 29 5.339 4.937 -0.050 224 2HG MET 29 1HG MET 29 6.103 3.412 -0.476 225 1HE MET 29 1HE MET 29 4.326 1.151 -0.138 226 2HE MET 29 2HE MET 29 4.999 1.535 -1.724 227 3HE MET 29 3HE MET 29 3.287 1.143 -1.563 228 H THR 30 H THR 30 5.509 5.845 3.501 229 HA THR 30 HA THR 30 6.380 4.383 5.770 230 HB THR 30 HB THR 30 6.335 7.389 5.418 231 HG1 THR 30 1HG THR 30 7.467 6.614 3.682 232 1HG2 THR 30 1HG2 THR 30 8.153 5.617 7.059 233 2HG2 THR 30 2HG2 THR 30 6.848 6.616 7.701 234 3HG2 THR 30 3HG2 THR 30 8.242 7.373 6.933 235 H ILE 31 H ILE 31 3.613 6.409 5.122 236 HA ILE 31 HA ILE 31 2.906 6.630 7.929 237 HB ILE 31 HB ILE 31 0.972 7.311 5.759 238 1HG1 ILE 31 2HG1 ILE 31 3.423 8.981 6.416 239 2HG1 ILE 31 1HG1 ILE 31 3.069 8.204 4.882 240 1HG2 ILE 31 1HG2 ILE 31 1.742 8.657 8.342 241 2HG2 ILE 31 2HG2 ILE 31 0.367 7.577 8.109 242 3HG2 ILE 31 3HG2 ILE 31 0.415 9.133 7.281 243 1HD1 ILE 31 1HD1 ILE 31 2.612 10.590 4.817 244 2HD1 ILE 31 2HD1 ILE 31 1.450 10.406 6.129 245 3HD1 ILE 31 3HD1 ILE 31 1.143 9.643 4.570 246 H ILE 32 H ILE 32 2.369 4.517 5.286 247 HA ILE 32 HA ILE 32 -0.143 3.486 6.304 248 HB ILE 32 HB ILE 32 1.498 2.450 3.983 249 1HG1 ILE 32 2HG1 ILE 32 -0.906 4.286 3.942 250 2HG1 ILE 32 1HG1 ILE 32 0.754 4.794 3.649 251 1HG2 ILE 32 1HG2 ILE 32 -1.371 1.953 4.784 252 2HG2 ILE 32 2HG2 ILE 32 -0.045 0.791 4.847 253 3HG2 ILE 32 3HG2 ILE 32 -0.619 1.392 3.290 254 1HD1 ILE 32 1HD1 ILE 32 -0.434 4.525 1.564 255 2HD1 ILE 32 2HD1 ILE 32 -0.830 2.859 1.981 256 3HD1 ILE 32 3HD1 ILE 32 0.848 3.320 1.697 257 H GLU 33 H GLU 33 3.029 2.050 5.469 258 HA GLU 33 HA GLU 33 4.207 0.295 6.301 259 1HB GLU 33 2HB GLU 33 4.093 1.470 8.424 260 2HB GLU 33 1HB GLU 33 2.501 0.806 8.743 261 1HG GLU 33 2HG GLU 33 3.682 -1.478 8.579 262 2HG GLU 33 1HG GLU 33 5.158 -0.541 8.809 263 H GLY 34 H GLY 34 0.883 -0.087 7.476 264 1HA GLY 34 2HA GLY 34 0.186 -2.156 5.728 265 2HA GLY 34 1HA GLY 34 0.761 -2.880 7.226 266 H LYS 35 H LYS 35 -0.665 0.219 7.487 267 HA LYS 35 HA LYS 35 -2.876 -0.871 8.984 268 1HB LYS 35 2HB LYS 35 -1.826 1.881 8.462 269 2HB LYS 35 1HB LYS 35 -3.487 1.699 9.001 270 1HG LYS 35 2HG LYS 35 -2.228 2.081 10.941 271 2HG LYS 35 1HG LYS 35 -2.579 0.356 10.939 272 1HD LYS 35 2HD LYS 35 -0.330 -0.080 10.032 273 2HD LYS 35 1HD LYS 35 0.016 1.650 10.097 274 1HE LYS 35 2HE LYS 35 -0.462 1.567 12.552 275 2HE LYS 35 1HE LYS 35 -0.579 -0.184 12.416 276 1HZ LYS 35 1HZ LYS 35 1.729 -0.222 11.629 277 2HZ LYS 35 2HZ LYS 35 1.599 0.467 13.169 278 3HZ LYS 35 3HZ LYS 35 1.826 1.461 11.821 279 H ARG 36 H ARG 36 -4.830 -1.256 8.267 280 HA ARG 36 HA ARG 36 -5.396 -1.309 5.524 281 1HB ARG 36 2HB ARG 36 -6.474 -2.851 7.011 282 2HB ARG 36 1HB ARG 36 -7.192 -1.544 7.939 283 1HG ARG 36 2HG ARG 36 -7.919 -1.581 5.094 284 2HG ARG 36 1HG ARG 36 -8.474 -2.970 6.032 285 1HD ARG 36 2HD ARG 36 -9.396 -1.335 7.708 286 2HD ARG 36 1HD ARG 36 -9.015 -0.052 6.564 287 HE ARG 36 HE ARG 36 -10.983 -0.536 5.556 288 1HH1 ARG 36 1HH1 ARG 36 -9.788 -3.527 6.947 289 2HH1 ARG 36 2HH1 ARG 36 -11.158 -4.457 6.448 290 1HH2 ARG 36 1HH2 ARG 36 -12.817 -1.748 4.939 291 2HH2 ARG 36 2HH2 ARG 36 -12.881 -3.454 5.301 292 H ASP 37 H ASP 37 -6.531 0.915 8.049 293 HA ASP 37 HA ASP 37 -8.262 2.353 6.310 294 1HB ASP 37 2HB ASP 37 -8.514 2.260 8.788 295 2HB ASP 37 1HB ASP 37 -7.074 3.264 8.938 296 H GLN 38 H GLN 38 -4.911 2.680 7.225 297 HA GLN 38 HA GLN 38 -4.463 5.283 6.242 298 1HB GLN 38 2HB GLN 38 -2.811 3.012 7.087 299 2HB GLN 38 1HB GLN 38 -2.061 4.009 5.849 300 1HG GLN 38 2HG GLN 38 -3.144 5.011 8.472 301 2HG GLN 38 1HG GLN 38 -1.446 4.705 8.113 302 1HE2 GLN 38 1HE2 GLN 38 -2.779 7.193 8.878 303 2HE2 GLN 38 2HE2 GLN 38 -2.433 8.319 7.614 304 H LEU 39 H LEU 39 -4.110 2.092 4.712 305 HA LEU 39 HA LEU 39 -3.250 3.107 2.218 306 1HB LEU 39 2HB LEU 39 -3.542 0.598 3.303 307 2HB LEU 39 1HB LEU 39 -4.810 0.629 2.092 308 HG LEU 39 HG LEU 39 -1.863 1.088 1.601 309 1HD1 LEU 39 1HD1 LEU 39 -2.042 -0.973 0.275 310 2HD1 LEU 39 2HD1 LEU 39 -3.700 -1.169 0.843 311 3HD1 LEU 39 3HD1 LEU 39 -2.361 -1.231 1.993 312 1HD2 LEU 39 1HD2 LEU 39 -3.183 2.467 0.097 313 2HD2 LEU 39 2HD2 LEU 39 -4.151 1.065 -0.362 314 3HD2 LEU 39 3HD2 LEU 39 -2.438 1.126 -0.774 315 H VAL 40 H VAL 40 -6.448 2.356 3.541 316 HA VAL 40 HA VAL 40 -8.019 2.810 1.295 317 HB VAL 40 HB VAL 40 -8.614 3.493 4.182 318 1HG1 VAL 40 1HG1 VAL 40 -10.967 3.560 3.532 319 2HG1 VAL 40 2HG1 VAL 40 -10.515 3.323 1.844 320 3HG1 VAL 40 3HG1 VAL 40 -10.043 4.800 2.685 321 1HG2 VAL 40 1HG2 VAL 40 -9.928 1.418 4.121 322 2HG2 VAL 40 2HG2 VAL 40 -8.221 1.125 3.785 323 3HG2 VAL 40 3HG2 VAL 40 -9.392 1.139 2.464 324 H GLY 41 H GLY 41 -7.004 5.169 3.761 325 1HA GLY 41 2HA GLY 41 -8.042 7.456 2.519 326 2HA GLY 41 1HA GLY 41 -6.679 7.440 3.629 327 H LYS 42 H LYS 42 -4.869 5.925 2.180 328 HA LYS 42 HA LYS 42 -3.779 7.930 0.535 329 1HB LYS 42 2HB LYS 42 -3.018 5.113 1.172 330 2HB LYS 42 1HB LYS 42 -2.172 5.969 -0.099 331 1HG LYS 42 2HG LYS 42 -2.309 6.662 2.821 332 2HG LYS 42 1HG LYS 42 -0.884 6.241 1.859 333 1HD LYS 42 2HD LYS 42 -1.073 8.298 0.606 334 2HD LYS 42 1HD LYS 42 -2.561 8.713 1.451 335 1HE LYS 42 2HE LYS 42 -1.326 8.786 3.562 336 2HE LYS 42 1HE LYS 42 0.166 8.447 2.683 337 1HZ LYS 42 1HZ LYS 42 -1.590 10.758 2.087 338 2HZ LYS 42 2HZ LYS 42 -0.017 10.473 1.509 339 3HZ LYS 42 3HZ LYS 42 -0.265 10.851 3.146 340 H ILE 43 H ILE 43 -5.441 4.916 -0.273 341 HA ILE 43 HA ILE 43 -5.146 5.116 -3.073 342 HB ILE 43 HB ILE 43 -7.408 3.929 -1.447 343 1HG1 ILE 43 2HG1 ILE 43 -5.173 2.502 -2.875 344 2HG1 ILE 43 1HG1 ILE 43 -5.057 2.977 -1.185 345 1HG2 ILE 43 1HG2 ILE 43 -7.964 2.649 -3.462 346 2HG2 ILE 43 2HG2 ILE 43 -6.750 3.556 -4.363 347 3HG2 ILE 43 3HG2 ILE 43 -8.166 4.384 -3.711 348 1HD1 ILE 43 1HD1 ILE 43 -7.009 1.605 -0.673 349 2HD1 ILE 43 2HD1 ILE 43 -5.722 0.656 -1.415 350 3HD1 ILE 43 3HD1 ILE 43 -7.122 1.141 -2.371 351 H GLN 44 H GLN 44 -7.484 6.532 -0.836 352 HA GLN 44 HA GLN 44 -9.177 7.691 -2.801 353 1HB GLN 44 2HB GLN 44 -8.720 8.515 0.073 354 2HB GLN 44 1HB GLN 44 -10.041 9.067 -0.946 355 1HG GLN 44 2HG GLN 44 -10.856 6.750 -1.105 356 2HG GLN 44 1HG GLN 44 -9.554 6.241 -0.033 357 1HE2 GLN 44 1HE2 GLN 44 -9.650 6.750 2.132 358 2HE2 GLN 44 2HE2 GLN 44 -11.084 7.344 2.889 359 H GLU 45 H GLU 45 -6.101 8.538 -1.570 360 HA GLU 45 HA GLU 45 -6.322 11.336 -2.377 361 1HB GLU 45 2HB GLU 45 -3.992 9.797 -1.221 362 2HB GLU 45 1HB GLU 45 -3.958 11.507 -1.614 363 1HG GLU 45 2HG GLU 45 -5.914 11.738 0.005 364 2HG GLU 45 1HG GLU 45 -5.491 10.113 0.547 365 H ARG 46 H ARG 46 -4.458 8.462 -3.214 366 HA ARG 46 HA ARG 46 -2.931 9.788 -5.207 367 1HB ARG 46 2HB ARG 46 -3.269 6.906 -4.431 368 2HB ARG 46 1HB ARG 46 -2.227 7.398 -5.759 369 1HG ARG 46 2HG ARG 46 -1.986 8.318 -2.906 370 2HG ARG 46 1HG ARG 46 -0.978 7.104 -3.695 371 1HD ARG 46 2HD ARG 46 0.009 8.679 -5.118 372 2HD ARG 46 1HD ARG 46 -1.231 9.879 -4.782 373 HE ARG 46 HE ARG 46 0.573 9.025 -2.625 374 1HH1 ARG 46 1HH1 ARG 46 -0.457 11.492 -4.883 375 2HH1 ARG 46 2HH1 ARG 46 0.245 12.796 -3.976 376 1HH2 ARG 46 1HH2 ARG 46 1.525 10.716 -1.443 377 2HH2 ARG 46 2HH2 ARG 46 1.379 12.358 -2.008 378 H TYR 47 H TYR 47 -5.431 7.242 -5.518 379 HA TYR 47 HA TYR 47 -5.683 7.930 -8.341 380 1HB TYR 47 2HB TYR 47 -7.087 5.879 -6.637 381 2HB TYR 47 1HB TYR 47 -7.417 6.132 -8.338 382 HD1 TYR 47 1HD TYR 47 -5.860 5.396 -10.034 383 HD2 TYR 47 2HD TYR 47 -5.092 4.765 -5.900 384 HE1 TYR 47 1HE TYR 47 -4.173 3.711 -10.612 385 HE2 TYR 47 2HE TYR 47 -3.398 3.090 -6.464 386 HH TYR 47 HH TYR 47 -2.997 1.505 -8.506 387 H GLY 48 H GLY 48 -7.596 7.910 -5.383 388 1HA GLY 48 2HA GLY 48 -9.071 9.711 -4.816 389 2HA GLY 48 1HA GLY 48 -9.261 10.047 -6.529 390 H TYR 49 H TYR 49 -9.526 6.918 -4.898 391 HA TYR 49 HA TYR 49 -12.178 6.549 -6.020 392 1HB TYR 49 2HB TYR 49 -10.518 4.738 -4.255 393 2HB TYR 49 1HB TYR 49 -12.052 4.303 -4.995 394 HD1 TYR 49 1HD TYR 49 -8.561 4.167 -5.312 395 HD2 TYR 49 2HD TYR 49 -12.113 4.522 -7.628 396 HE1 TYR 49 1HE TYR 49 -7.367 3.297 -7.277 397 HE2 TYR 49 2HE TYR 49 -10.920 3.665 -9.604 398 HH TYR 49 HH TYR 49 -7.846 2.185 -9.377 399 H GLN 50 H GLN 50 -13.996 5.914 -4.658 400 HA GLN 50 HA GLN 50 -14.230 7.456 -2.270 401 1HB GLN 50 2HB GLN 50 -16.028 5.287 -3.372 402 2HB GLN 50 1HB GLN 50 -16.437 6.362 -2.041 403 1HG GLN 50 2HG GLN 50 -15.939 7.141 -4.903 404 2HG GLN 50 1HG GLN 50 -17.485 7.139 -4.054 405 1HE2 GLN 50 1HE2 GLN 50 -17.913 8.740 -2.535 406 2HE2 GLN 50 2HE2 GLN 50 -16.986 10.202 -2.461 407 H LYS 51 H LYS 51 -14.619 6.589 -0.129 408 HA LYS 51 HA LYS 51 -12.576 4.966 0.746 409 1HB LYS 51 2HB LYS 51 -13.880 6.488 2.191 410 2HB LYS 51 1HB LYS 51 -15.237 5.368 2.122 411 1HG LYS 51 2HG LYS 51 -13.918 3.660 3.216 412 2HG LYS 51 1HG LYS 51 -12.515 4.726 3.229 413 1HD LYS 51 2HD LYS 51 -13.880 6.333 4.599 414 2HD LYS 51 1HD LYS 51 -15.101 5.065 4.731 415 1HE LYS 51 2HE LYS 51 -12.224 4.760 5.557 416 2HE LYS 51 1HE LYS 51 -13.537 5.163 6.661 417 1HZ LYS 51 1HZ LYS 51 -14.456 3.069 6.462 418 2HZ LYS 51 2HZ LYS 51 -12.796 2.723 6.411 419 3HZ LYS 51 3HZ LYS 51 -13.703 2.746 4.979 420 H ASP 52 H ASP 52 -15.914 4.050 0.071 421 HA ASP 52 HA ASP 52 -15.887 1.409 0.903 422 1HB ASP 52 2HB ASP 52 -17.884 2.657 0.086 423 2HB ASP 52 1HB ASP 52 -17.286 2.481 -1.554 424 H GLN 53 H GLN 53 -15.009 2.723 -2.269 425 HA GLN 53 HA GLN 53 -14.397 0.136 -3.337 426 1HB GLN 53 2HB GLN 53 -15.238 2.027 -4.718 427 2HB GLN 53 1HB GLN 53 -13.710 2.852 -4.452 428 1HG GLN 53 2HG GLN 53 -12.529 1.005 -5.547 429 2HG GLN 53 1HG GLN 53 -14.067 0.191 -5.813 430 1HE2 GLN 53 1HE2 GLN 53 -12.137 0.982 -7.755 431 2HE2 GLN 53 2HE2 GLN 53 -12.922 2.083 -8.827 432 H ALA 54 H ALA 54 -12.613 2.787 -1.900 433 HA ALA 54 HA ALA 54 -10.007 1.923 -2.487 434 1HB ALA 54 1HB ALA 54 -9.308 3.286 -0.598 435 2HB ALA 54 2HB ALA 54 -10.973 3.374 -0.024 436 3HB ALA 54 3HB ALA 54 -10.527 4.133 -1.553 437 H GLU 55 H GLU 55 -12.127 1.229 0.290 438 HA GLU 55 HA GLU 55 -10.441 -0.566 1.615 439 1HB GLU 55 2HB GLU 55 -13.454 -0.446 1.487 440 2HB GLU 55 1HB GLU 55 -12.563 -1.498 2.580 441 1HG GLU 55 2HG GLU 55 -11.525 0.452 3.614 442 2HG GLU 55 1HG GLU 55 -12.416 1.506 2.518 443 H LYS 56 H LYS 56 -12.664 -1.049 -1.077 444 HA LYS 56 HA LYS 56 -12.590 -3.841 -1.202 445 1HB LYS 56 2HB LYS 56 -14.166 -2.586 -2.534 446 2HB LYS 56 1HB LYS 56 -12.864 -1.783 -3.401 447 1HG LYS 56 2HG LYS 56 -12.195 -3.937 -4.360 448 2HG LYS 56 1HG LYS 56 -13.533 -4.715 -3.513 449 1HD LYS 56 2HD LYS 56 -15.111 -3.279 -4.734 450 2HD LYS 56 1HD LYS 56 -13.758 -2.556 -5.608 451 1HE LYS 56 2HE LYS 56 -14.844 -4.301 -6.933 452 2HE LYS 56 1HE LYS 56 -13.178 -4.730 -6.538 453 1HZ LYS 56 1HZ LYS 56 -15.580 -5.713 -5.090 454 2HZ LYS 56 2HZ LYS 56 -13.972 -6.171 -4.793 455 3HZ LYS 56 3HZ LYS 56 -14.717 -6.594 -6.254 456 H GLU 57 H GLU 57 -10.473 -1.402 -2.647 457 HA GLU 57 HA GLU 57 -8.716 -3.193 -3.942 458 1HB GLU 57 2HB GLU 57 -8.426 -0.357 -2.978 459 2HB GLU 57 1HB GLU 57 -7.100 -1.210 -3.753 460 1HG GLU 57 2HG GLU 57 -9.489 -1.462 -5.327 461 2HG GLU 57 1HG GLU 57 -9.150 0.234 -4.976 462 H VAL 58 H VAL 58 -8.677 -1.703 -0.735 463 HA VAL 58 HA VAL 58 -6.152 -2.645 0.053 464 HB VAL 58 HB VAL 58 -8.540 -1.987 1.788 465 1HG1 VAL 58 1HG1 VAL 58 -6.893 -1.707 3.596 466 2HG1 VAL 58 2HG1 VAL 58 -5.633 -2.327 2.530 467 3HG1 VAL 58 3HG1 VAL 58 -6.968 -3.372 3.020 468 1HG2 VAL 58 1HG2 VAL 58 -6.146 -0.348 0.968 469 2HG2 VAL 58 2HG2 VAL 58 -7.385 0.155 2.118 470 3HG2 VAL 58 3HG2 VAL 58 -7.809 -0.115 0.427 471 H VAL 59 H VAL 59 -9.393 -4.030 0.593 472 HA VAL 59 HA VAL 59 -8.516 -6.304 2.022 473 HB VAL 59 HB VAL 59 -11.026 -5.923 0.375 474 1HG1 VAL 59 1HG1 VAL 59 -11.954 -7.786 1.666 475 2HG1 VAL 59 2HG1 VAL 59 -10.394 -8.021 2.452 476 3HG1 VAL 59 3HG1 VAL 59 -10.555 -8.299 0.718 477 1HG2 VAL 59 1HG2 VAL 59 -12.096 -5.481 2.536 478 2HG2 VAL 59 2HG2 VAL 59 -10.813 -4.318 2.202 479 3HG2 VAL 59 3HG2 VAL 59 -10.534 -5.636 3.339 480 H ASP 60 H ASP 60 -8.948 -5.656 -1.399 481 HA ASP 60 HA ASP 60 -8.621 -8.269 -2.386 482 1HB ASP 60 2HB ASP 60 -9.438 -6.366 -3.738 483 2HB ASP 60 1HB ASP 60 -7.835 -5.642 -3.673 484 H TRP 61 H TRP 61 -6.259 -5.633 -2.060 485 HA TRP 61 HA TRP 61 -3.952 -7.125 -2.649 486 1HB TRP 61 2HB TRP 61 -3.941 -4.705 -2.663 487 2HB TRP 61 1HB TRP 61 -4.347 -4.651 -0.953 488 HD1 TRP 61 HD TRP 61 -1.407 -5.482 -3.291 489 HE1 TRP 61 1HE TRP 61 0.772 -5.265 -1.945 490 HE3 TRP 61 3HE TRP 61 -3.403 -4.699 1.347 491 HZ2 TRP 61 2HZ TRP 61 1.541 -4.828 0.745 492 HZ3 TRP 61 3HZ TRP 61 -1.880 -4.394 3.254 493 HH2 TRP 61 HH TRP 61 0.541 -4.458 2.956 494 H GLU 62 H GLU 62 -5.611 -6.477 0.393 495 HA GLU 62 HA GLU 62 -3.818 -7.564 2.199 496 1HB GLU 62 2HB GLU 62 -5.546 -6.487 3.251 497 2HB GLU 62 1HB GLU 62 -6.761 -7.128 2.154 498 1HG GLU 62 2HG GLU 62 -6.716 -9.254 3.264 499 2HG GLU 62 1HG GLU 62 -5.375 -8.738 4.279 500 H THR 63 H THR 63 -6.489 -9.194 0.523 501 HA THR 63 HA THR 63 -6.069 -11.710 1.723 502 HB THR 63 HB THR 63 -7.385 -11.105 -0.929 503 HG1 THR 63 1HG THR 63 -8.425 -9.898 0.634 504 1HG2 THR 63 1HG2 THR 63 -6.938 -13.494 -0.578 505 2HG2 THR 63 2HG2 THR 63 -8.667 -13.151 -0.518 506 3HG2 THR 63 3HG2 THR 63 -7.767 -13.420 0.976 507 H ARG 64 H ARG 64 -4.670 -10.152 -1.076 508 HA ARG 64 HA ARG 64 -3.581 -12.469 -2.291 509 1HB ARG 64 2HB ARG 64 -2.821 -9.558 -2.481 510 2HB ARG 64 1HB ARG 64 -2.065 -10.816 -3.447 511 1HG ARG 64 2HG ARG 64 -4.209 -11.357 -4.454 512 2HG ARG 64 1HG ARG 64 -4.999 -10.134 -3.455 513 1HD ARG 64 2HD ARG 64 -3.687 -8.389 -4.520 514 2HD ARG 64 1HD ARG 64 -2.825 -9.593 -5.478 515 HE ARG 64 HE ARG 64 -5.618 -9.810 -5.898 516 1HH1 ARG 64 1HH1 ARG 64 -2.904 -7.746 -6.699 517 2HH1 ARG 64 2HH1 ARG 64 -3.596 -7.193 -8.192 518 1HH2 ARG 64 1HH2 ARG 64 -6.529 -9.110 -7.839 519 2HH2 ARG 64 2HH2 ARG 64 -5.666 -7.986 -8.849 520 H ASN 65 H ASN 65 -2.334 -10.251 0.158 521 HA ASN 65 HA ASN 65 0.252 -11.642 0.116 522 1HB ASN 65 2HB ASN 65 -0.601 -9.041 1.390 523 2HB ASN 65 1HB ASN 65 1.002 -9.752 1.579 524 1HD2 ASN 65 1HD2 ASN 65 -1.219 -8.216 -0.607 525 2HD2 ASN 65 2HD2 ASN 65 -0.062 -7.865 -1.838 526 H GLU 66 H GLU 66 -1.928 -10.306 2.550 527 HA GLU 66 HA GLU 66 -3.112 -11.448 4.171 528 1HB GLU 66 2HB GLU 66 -1.243 -13.679 3.489 529 2HB GLU 66 1HB GLU 66 -2.119 -13.713 5.012 530 1HG GLU 66 2HG GLU 66 -3.430 -13.424 2.321 531 2HG GLU 66 1HG GLU 66 -3.216 -14.958 3.167 532 H TYR 67 H TYR 67 0.326 -10.984 4.208 533 HA TYR 67 HA TYR 67 0.459 -10.949 7.088 534 1HB TYR 67 2HB TYR 67 2.439 -11.521 5.672 535 2HB TYR 67 1HB TYR 67 2.462 -9.856 5.097 536 HD1 TYR 67 1HD TYR 67 2.891 -11.988 8.090 537 HD2 TYR 67 2HD TYR 67 3.454 -8.129 6.392 538 HE1 TYR 67 1HE TYR 67 4.298 -11.358 10.005 539 HE2 TYR 67 2HE TYR 67 4.864 -7.486 8.299 540 HH TYR 67 HH TYR 67 6.096 -9.728 10.509 541 H ARG 68 H ARG 68 -1.067 -9.477 7.774 542 HA ARG 68 HA ARG 68 -0.297 -6.694 7.529 543 1HB ARG 68 2HB ARG 68 -1.876 -7.195 5.608 544 2HB ARG 68 1HB ARG 68 -3.118 -7.504 6.816 545 1HG ARG 68 2HG ARG 68 -2.656 -5.180 7.689 546 2HG ARG 68 1HG ARG 68 -1.706 -4.923 6.225 547 1HD ARG 68 2HD ARG 68 -3.929 -4.060 5.900 548 2HD ARG 68 1HD ARG 68 -3.699 -5.479 4.880 549 HE ARG 68 HE ARG 68 -5.384 -6.523 6.017 550 1HH1 ARG 68 1HH1 ARG 68 -4.213 -3.882 8.011 551 2HH1 ARG 68 2HH1 ARG 68 -5.510 -4.011 9.154 552 1HH2 ARG 68 1HH2 ARG 68 -7.070 -6.690 7.497 553 2HH2 ARG 68 2HH2 ARG 68 -7.131 -5.625 8.884 554 H TRP 69 H TRP 69 -1.151 -5.387 9.149 555 HA TRP 69 HA TRP 69 -3.251 -5.942 10.857 556 1HB TRP 69 2HB TRP 69 -1.652 -7.795 11.614 557 2HB TRP 69 1HB TRP 69 -0.624 -6.511 12.242 558 HD1 TRP 69 HD TRP 69 -4.097 -8.078 12.784 559 HE1 TRP 69 1HE TRP 69 -4.887 -7.527 15.173 560 HE3 TRP 69 3HE TRP 69 -0.313 -4.929 14.182 561 HZ2 TRP 69 2HZ TRP 69 -4.011 -5.971 17.360 562 HZ3 TRP 69 3HZ TRP 69 -0.369 -3.954 16.441 563 HH2 TRP 69 HH TRP 69 -2.180 -4.464 17.994 Start of MODEL 12 1 1H MET 1 1HT MET 1 2.165 -14.450 13.392 2 2H MET 1 2HT MET 1 2.374 -15.160 14.919 3 3H MET 1 3HT MET 1 3.344 -15.645 13.620 4 HA MET 1 HA MET 1 4.499 -14.171 15.195 5 1HB MET 1 2HB MET 1 4.429 -14.103 12.375 6 2HB MET 1 1HB MET 1 4.485 -12.424 12.888 7 1HG MET 1 2HG MET 1 6.439 -14.581 13.657 8 2HG MET 1 1HG MET 1 6.711 -13.302 12.478 9 1HE MET 1 1HE MET 1 9.109 -12.140 15.273 10 2HE MET 1 2HE MET 1 8.905 -12.460 13.551 11 3HE MET 1 3HE MET 1 8.821 -13.787 14.711 12 H ASN 2 H ASN 2 4.741 -11.980 15.985 13 HA ASN 2 HA ASN 2 2.255 -10.539 16.235 14 1HB ASN 2 2HB ASN 2 3.384 -9.104 17.777 15 2HB ASN 2 1HB ASN 2 3.957 -10.734 18.111 16 1HD2 ASN 2 1HD2 ASN 2 6.076 -11.302 17.546 17 2HD2 ASN 2 2HD2 ASN 2 7.276 -10.092 17.225 18 H LYS 3 H LYS 3 2.325 -8.071 15.752 19 HA LYS 3 HA LYS 3 2.823 -7.818 12.988 20 1HB LYS 3 2HB LYS 3 1.111 -6.469 14.108 21 2HB LYS 3 1HB LYS 3 2.366 -5.614 15.003 22 1HG LYS 3 2HG LYS 3 3.280 -4.735 12.935 23 2HG LYS 3 1HG LYS 3 2.085 -5.635 12.005 24 1HD LYS 3 2HD LYS 3 0.303 -4.342 13.133 25 2HD LYS 3 1HD LYS 3 1.549 -3.391 13.945 26 1HE LYS 3 2HE LYS 3 1.136 -3.620 10.966 27 2HE LYS 3 1HE LYS 3 0.727 -2.227 11.969 28 1HZ LYS 3 1HZ LYS 3 2.812 -1.842 10.868 29 2HZ LYS 3 2HZ LYS 3 3.456 -3.296 11.463 30 3HZ LYS 3 3HZ LYS 3 3.100 -2.029 12.526 31 H ASP 4 H ASP 4 4.689 -7.647 12.022 32 HA ASP 4 HA ASP 4 7.096 -6.850 13.253 33 1HB ASP 4 2HB ASP 4 6.388 -6.927 10.311 34 2HB ASP 4 1HB ASP 4 8.017 -6.793 10.962 35 H GLU 5 H GLU 5 8.215 -4.940 13.176 36 HA GLU 5 HA GLU 5 6.579 -2.576 12.728 37 1HB GLU 5 2HB GLU 5 7.886 -2.894 14.839 38 2HB GLU 5 1HB GLU 5 9.363 -2.794 13.891 39 1HG GLU 5 2HG GLU 5 9.086 -0.534 13.461 40 2HG GLU 5 1HG GLU 5 7.357 -0.583 13.808 41 H ALA 6 H ALA 6 7.507 -0.716 11.591 42 HA ALA 6 HA ALA 6 8.007 -1.227 8.952 43 1HB ALA 6 1HB ALA 6 7.250 0.930 9.849 44 2HB ALA 6 2HB ALA 6 8.590 1.108 8.715 45 3HB ALA 6 3HB ALA 6 8.878 1.237 10.450 46 H GLY 7 H GLY 7 9.557 -2.639 8.452 47 1HA GLY 7 2HA GLY 7 12.146 -1.828 7.902 48 2HA GLY 7 1HA GLY 7 12.207 -2.621 9.475 49 H GLY 8 H GLY 8 12.614 -3.168 6.270 50 1HA GLY 8 2HA GLY 8 12.878 -5.256 5.206 51 2HA GLY 8 1HA GLY 8 11.967 -6.011 6.510 52 H ASN 9 H ASN 9 9.636 -5.072 6.664 53 HA ASN 9 HA ASN 9 8.246 -5.586 4.245 54 1HB ASN 9 2HB ASN 9 6.236 -4.885 5.439 55 2HB ASN 9 1HB ASN 9 7.219 -5.904 6.484 56 1HD2 ASN 9 1HD2 ASN 9 5.166 -3.901 7.121 57 2HD2 ASN 9 2HD2 ASN 9 5.926 -2.775 8.191 58 H TRP 10 H TRP 10 9.703 -2.827 5.613 59 HA TRP 10 HA TRP 10 8.409 -0.691 4.398 60 1HB TRP 10 2HB TRP 10 10.171 -0.526 6.139 61 2HB TRP 10 1HB TRP 10 11.369 -1.044 4.962 62 HD1 TRP 10 HD TRP 10 11.689 0.758 2.804 63 HE1 TRP 10 1HE TRP 10 11.726 3.334 2.903 64 HE3 TRP 10 3HE TRP 10 9.329 1.426 7.287 65 HZ2 TRP 10 2HZ TRP 10 10.876 5.368 4.653 66 HZ3 TRP 10 3HZ TRP 10 8.986 3.720 8.107 67 HH2 TRP 10 HH TRP 10 9.746 5.651 6.814 68 H LYS 11 H LYS 11 11.170 -2.593 3.234 69 HA LYS 11 HA LYS 11 11.144 -1.313 0.652 70 1HB LYS 11 2HB LYS 11 13.258 -2.013 1.609 71 2HB LYS 11 1HB LYS 11 12.689 -3.668 1.749 72 1HG LYS 11 2HG LYS 11 12.516 -3.732 -0.745 73 2HG LYS 11 1HG LYS 11 13.305 -2.153 -0.773 74 1HD LYS 11 2HD LYS 11 14.923 -3.947 -1.120 75 2HD LYS 11 1HD LYS 11 15.235 -3.097 0.395 76 1HE LYS 11 2HE LYS 11 14.021 -4.881 1.600 77 2HE LYS 11 1HE LYS 11 13.823 -5.745 0.076 78 1HZ LYS 11 1HZ LYS 11 16.189 -5.985 -0.098 79 2HZ LYS 11 2HZ LYS 11 15.701 -6.554 1.423 80 3HZ LYS 11 3HZ LYS 11 16.442 -5.035 1.283 81 H GLN 12 H GLN 12 10.274 -4.449 2.003 82 HA GLN 12 HA GLN 12 9.850 -5.770 -0.443 83 1HB GLN 12 2HB GLN 12 10.272 -6.856 1.748 84 2HB GLN 12 1HB GLN 12 8.656 -6.395 2.257 85 1HG GLN 12 2HG GLN 12 7.699 -7.779 0.491 86 2HG GLN 12 1HG GLN 12 9.321 -8.227 -0.036 87 1HE2 GLN 12 1HE2 GLN 12 7.169 -9.942 0.924 88 2HE2 GLN 12 2HE2 GLN 12 7.790 -10.766 2.315 89 H PHE 13 H PHE 13 7.508 -4.239 1.797 90 HA PHE 13 HA PHE 13 5.367 -5.053 0.021 91 1HB PHE 13 2HB PHE 13 5.452 -3.915 2.773 92 2HB PHE 13 1HB PHE 13 3.947 -3.878 1.845 93 HD1 PHE 13 1HD PHE 13 6.541 -5.992 3.264 94 HD2 PHE 13 2HD PHE 13 2.744 -5.886 1.369 95 HE1 PHE 13 1HE PHE 13 6.269 -8.361 3.694 96 HE2 PHE 13 2HE PHE 13 2.458 -8.261 1.804 97 HZ PHE 13 HZ PHE 13 4.213 -9.533 2.981 98 H LYS 14 H LYS 14 7.203 -2.262 0.639 99 HA LYS 14 HA LYS 14 5.446 -0.376 -0.531 100 1HB LYS 14 2HB LYS 14 7.550 0.303 0.576 101 2HB LYS 14 1HB LYS 14 8.468 -0.451 -0.721 102 1HG LYS 14 2HG LYS 14 7.682 1.135 -2.311 103 2HG LYS 14 1HG LYS 14 6.514 1.793 -1.165 104 1HD LYS 14 2HD LYS 14 8.476 3.243 -1.412 105 2HD LYS 14 1HD LYS 14 8.325 2.623 0.232 106 1HE LYS 14 2HE LYS 14 10.025 0.955 -0.215 107 2HE LYS 14 1HE LYS 14 10.131 1.481 -1.895 108 1HZ LYS 14 1HZ LYS 14 10.701 3.273 0.401 109 2HZ LYS 14 2HZ LYS 14 11.038 3.548 -1.238 110 3HZ LYS 14 3HZ LYS 14 11.897 2.360 -0.387 111 H GLY 15 H GLY 15 7.559 -2.820 -1.823 112 1HA GLY 15 2HA GLY 15 7.160 -2.139 -4.576 113 2HA GLY 15 1HA GLY 15 7.844 -3.634 -3.956 114 H LYS 16 H LYS 16 5.820 -4.662 -2.439 115 HA LYS 16 HA LYS 16 4.137 -5.835 -4.351 116 1HB LYS 16 2HB LYS 16 4.263 -5.853 -1.378 117 2HB LYS 16 1HB LYS 16 2.756 -6.375 -2.119 118 1HG LYS 16 2HG LYS 16 4.147 -8.291 -1.695 119 2HG LYS 16 1HG LYS 16 4.012 -8.043 -3.436 120 1HD LYS 16 2HD LYS 16 6.206 -6.818 -3.319 121 2HD LYS 16 1HD LYS 16 6.344 -7.372 -1.652 122 1HE LYS 16 2HE LYS 16 7.588 -8.821 -3.178 123 2HE LYS 16 1HE LYS 16 6.266 -9.689 -2.401 124 1HZ LYS 16 1HZ LYS 16 5.900 -8.464 -5.069 125 2HZ LYS 16 2HZ LYS 16 5.043 -9.744 -4.353 126 3HZ LYS 16 3HZ LYS 16 6.623 -9.990 -4.905 127 H VAL 17 H VAL 17 3.453 -3.267 -1.978 128 HA VAL 17 HA VAL 17 0.811 -2.759 -2.695 129 HB VAL 17 HB VAL 17 2.934 -0.816 -1.763 130 1HG1 VAL 17 1HG1 VAL 17 1.252 0.417 -3.024 131 2HG1 VAL 17 2HG1 VAL 17 1.095 0.747 -1.300 132 3HG1 VAL 17 3HG1 VAL 17 -0.031 -0.355 -2.090 133 1HG2 VAL 17 1HG2 VAL 17 0.595 -2.094 -0.346 134 2HG2 VAL 17 2HG2 VAL 17 1.728 -0.944 0.363 135 3HG2 VAL 17 3HG2 VAL 17 2.292 -2.535 -0.146 136 H LYS 18 H LYS 18 3.804 -1.444 -4.136 137 HA LYS 18 HA LYS 18 2.492 0.146 -6.061 138 1HB LYS 18 2HB LYS 18 5.271 -0.947 -5.833 139 2HB LYS 18 1HB LYS 18 4.761 -0.133 -7.305 140 1HG LYS 18 2HG LYS 18 4.241 1.877 -6.038 141 2HG LYS 18 1HG LYS 18 4.696 1.062 -4.539 142 1HD LYS 18 2HD LYS 18 6.970 0.853 -5.279 143 2HD LYS 18 1HD LYS 18 6.554 1.470 -6.878 144 1HE LYS 18 2HE LYS 18 6.325 3.020 -4.300 145 2HE LYS 18 1HE LYS 18 7.658 3.154 -5.446 146 1HZ LYS 18 1HZ LYS 18 4.859 4.034 -5.750 147 2HZ LYS 18 2HZ LYS 18 5.791 3.687 -7.120 148 3HZ LYS 18 3HZ LYS 18 6.290 4.898 -6.042 149 H GLU 19 H GLU 19 3.206 -3.265 -5.986 150 HA GLU 19 HA GLU 19 2.863 -3.760 -8.754 151 1HB GLU 19 2HB GLU 19 2.492 -5.555 -6.354 152 2HB GLU 19 1HB GLU 19 2.367 -6.114 -8.015 153 1HG GLU 19 2HG GLU 19 4.689 -5.368 -8.399 154 2HG GLU 19 1HG GLU 19 4.800 -4.939 -6.692 155 H GLN 20 H GLN 20 0.654 -3.369 -6.074 156 HA GLN 20 HA GLN 20 -1.648 -3.987 -7.760 157 1HB GLN 20 2HB GLN 20 -1.313 -4.408 -5.167 158 2HB GLN 20 1HB GLN 20 -1.886 -2.752 -5.046 159 1HG GLN 20 2HG GLN 20 -3.369 -4.984 -6.415 160 2HG GLN 20 1HG GLN 20 -3.661 -4.448 -4.765 161 1HE2 GLN 20 1HE2 GLN 20 -4.660 -2.470 -4.414 162 2HE2 GLN 20 2HE2 GLN 20 -5.523 -1.643 -5.662 163 H TRP 21 H TRP 21 -0.678 -1.220 -5.748 164 HA TRP 21 HA TRP 21 -1.780 0.616 -7.760 165 1HB TRP 21 2HB TRP 21 -2.006 0.604 -4.781 166 2HB TRP 21 1HB TRP 21 -1.982 2.146 -5.611 167 HD1 TRP 21 HD TRP 21 -4.467 1.158 -3.970 168 HE1 TRP 21 1HE TRP 21 -6.754 0.872 -5.121 169 HE3 TRP 21 3HE TRP 21 -2.897 0.713 -8.819 170 HZ2 TRP 21 2HZ TRP 21 -7.755 0.526 -7.731 171 HZ3 TRP 21 3HZ TRP 21 -4.584 0.422 -10.581 172 HH2 TRP 21 HH TRP 21 -6.967 0.329 -10.045 173 H GLY 22 H GLY 22 0.082 1.120 -8.780 174 1HA GLY 22 2HA GLY 22 2.565 1.481 -7.396 175 2HA GLY 22 1HA GLY 22 2.279 1.741 -9.107 176 H LYS 23 H LYS 23 -0.041 3.574 -7.919 177 HA LYS 23 HA LYS 23 1.400 5.992 -8.322 178 1HB LYS 23 2HB LYS 23 -1.301 5.211 -8.195 179 2HB LYS 23 1HB LYS 23 -1.090 6.439 -6.957 180 1HG LYS 23 2HG LYS 23 0.192 7.220 -9.424 181 2HG LYS 23 1HG LYS 23 -1.513 6.839 -9.670 182 1HD LYS 23 2HD LYS 23 -2.066 8.336 -7.771 183 2HD LYS 23 1HD LYS 23 -0.364 8.793 -7.683 184 1HE LYS 23 2HE LYS 23 -0.456 9.704 -9.923 185 2HE LYS 23 1HE LYS 23 -2.118 9.146 -10.115 186 1HZ LYS 23 1HZ LYS 23 -2.112 11.469 -9.585 187 2HZ LYS 23 2HZ LYS 23 -1.149 11.214 -8.215 188 3HZ LYS 23 3HZ LYS 23 -2.734 10.620 -8.256 189 H LEU 24 H LEU 24 0.650 4.093 -5.517 190 HA LEU 24 HA LEU 24 1.031 6.125 -3.574 191 1HB LEU 24 2HB LEU 24 1.448 3.155 -3.329 192 2HB LEU 24 1HB LEU 24 1.332 4.273 -1.987 193 HG LEU 24 HG LEU 24 -0.825 3.299 -3.831 194 1HD1 LEU 24 1HD1 LEU 24 -0.651 3.563 -0.841 195 2HD1 LEU 24 2HD1 LEU 24 -0.362 2.083 -1.760 196 3HD1 LEU 24 3HD1 LEU 24 -1.964 2.823 -1.756 197 1HD2 LEU 24 1HD2 LEU 24 -0.973 5.734 -2.064 198 2HD2 LEU 24 2HD2 LEU 24 -2.340 4.966 -2.873 199 3HD2 LEU 24 3HD2 LEU 24 -1.059 5.716 -3.825 200 H THR 25 H THR 25 2.901 6.186 -2.044 201 HA THR 25 HA THR 25 5.406 5.955 -3.575 202 HB THR 25 HB THR 25 6.043 8.201 -2.696 203 HG1 THR 25 1HG THR 25 4.655 9.356 -1.509 204 1HG2 THR 25 1HG2 THR 25 4.622 9.502 -4.222 205 2HG2 THR 25 2HG2 THR 25 3.509 8.139 -4.342 206 3HG2 THR 25 3HG2 THR 25 5.154 7.993 -4.964 207 H ASP 26 H ASP 26 7.138 7.111 -1.779 208 HA ASP 26 HA ASP 26 7.385 5.044 0.209 209 1HB ASP 26 2HB ASP 26 9.351 6.022 -0.974 210 2HB ASP 26 1HB ASP 26 9.054 7.545 -0.144 211 H ASP 27 H ASP 27 6.718 8.537 0.228 212 HA ASP 27 HA ASP 27 6.470 8.758 3.053 213 1HB ASP 27 2HB ASP 27 5.352 10.894 2.641 214 2HB ASP 27 1HB ASP 27 6.796 10.752 1.659 215 H ASP 28 H ASP 28 4.523 7.447 0.651 216 HA ASP 28 HA ASP 28 1.982 7.540 1.973 217 1HB ASP 28 2HB ASP 28 2.502 7.067 -0.474 218 2HB ASP 28 1HB ASP 28 3.013 5.497 0.033 219 H MET 29 H MET 29 4.524 5.202 1.505 220 HA MET 29 HA MET 29 3.177 3.120 2.881 221 1HB MET 29 2HB MET 29 4.878 3.157 0.878 222 2HB MET 29 1HB MET 29 6.063 3.006 2.165 223 1HG MET 29 2HG MET 29 5.058 0.931 0.972 224 2HG MET 29 1HG MET 29 5.424 0.901 2.697 225 1HE MET 29 1HE MET 29 1.202 1.405 0.898 226 2HE MET 29 2HE MET 29 2.658 1.117 -0.057 227 3HE MET 29 3HE MET 29 2.447 2.650 0.789 228 H THR 30 H THR 30 5.631 5.454 3.787 229 HA THR 30 HA THR 30 6.438 4.137 6.173 230 HB THR 30 HB THR 30 7.815 5.935 5.238 231 HG1 THR 30 1HG THR 30 8.436 6.328 7.212 232 1HG2 THR 30 1HG2 THR 30 6.065 7.392 4.361 233 2HG2 THR 30 2HG2 THR 30 7.130 8.288 5.443 234 3HG2 THR 30 3HG2 THR 30 5.537 7.772 6.000 235 H ILE 31 H ILE 31 3.704 6.032 5.271 236 HA ILE 31 HA ILE 31 2.850 6.570 7.981 237 HB ILE 31 HB ILE 31 1.263 6.891 5.425 238 1HG1 ILE 31 2HG1 ILE 31 3.441 8.087 5.342 239 2HG1 ILE 31 1HG1 ILE 31 2.067 9.183 5.309 240 1HG2 ILE 31 1HG2 ILE 31 0.981 8.216 8.121 241 2HG2 ILE 31 2HG2 ILE 31 -0.070 6.961 7.468 242 3HG2 ILE 31 3HG2 ILE 31 -0.009 8.546 6.700 243 1HD1 ILE 31 1HD1 ILE 31 3.811 8.558 7.683 244 2HD1 ILE 31 2HD1 ILE 31 2.410 9.630 7.698 245 3HD1 ILE 31 3HD1 ILE 31 3.821 10.037 6.722 246 H ILE 32 H ILE 32 2.175 4.324 5.383 247 HA ILE 32 HA ILE 32 0.006 3.083 6.859 248 HB ILE 32 HB ILE 32 1.173 2.303 4.184 249 1HG1 ILE 32 2HG1 ILE 32 -1.220 4.017 4.870 250 2HG1 ILE 32 1HG1 ILE 32 0.280 4.569 4.123 251 1HG2 ILE 32 1HG2 ILE 32 -1.000 1.158 3.873 252 2HG2 ILE 32 2HG2 ILE 32 -1.397 1.529 5.551 253 3HG2 ILE 32 3HG2 ILE 32 -0.036 0.470 5.181 254 1HD1 ILE 32 1HD1 ILE 32 -0.183 3.248 2.160 255 2HD1 ILE 32 2HD1 ILE 32 -1.539 4.319 2.514 256 3HD1 ILE 32 3HD1 ILE 32 -1.641 2.604 2.912 257 H GLU 33 H GLU 33 2.614 1.527 5.054 258 HA GLU 33 HA GLU 33 3.648 -0.423 5.263 259 1HB GLU 33 2HB GLU 33 5.006 -0.809 7.256 260 2HB GLU 33 1HB GLU 33 5.138 0.825 6.643 261 1HG GLU 33 2HG GLU 33 5.085 1.195 8.887 262 2HG GLU 33 1HG GLU 33 3.374 1.346 8.498 263 H GLY 34 H GLY 34 1.489 -0.162 8.081 264 1HA GLY 34 2HA GLY 34 0.388 -2.759 7.321 265 2HA GLY 34 1HA GLY 34 1.080 -2.630 8.935 266 H LYS 35 H LYS 35 -0.590 -0.039 7.278 267 HA LYS 35 HA LYS 35 -2.649 -0.120 9.376 268 1HB LYS 35 2HB LYS 35 -1.815 2.211 7.637 269 2HB LYS 35 1HB LYS 35 -2.951 2.264 8.976 270 1HG LYS 35 2HG LYS 35 -0.051 1.530 9.267 271 2HG LYS 35 1HG LYS 35 -0.686 3.160 9.481 272 1HD LYS 35 2HD LYS 35 -2.025 2.466 11.336 273 2HD LYS 35 1HD LYS 35 -1.638 0.767 11.042 274 1HE LYS 35 2HE LYS 35 0.609 1.065 11.699 275 2HE LYS 35 1HE LYS 35 0.474 2.821 11.640 276 1HZ LYS 35 1HZ LYS 35 -1.116 1.185 13.533 277 2HZ LYS 35 2HZ LYS 35 -0.800 2.853 13.584 278 3HZ LYS 35 3HZ LYS 35 0.440 1.744 13.906 279 H ARG 36 H ARG 36 -4.517 -0.908 8.740 280 HA ARG 36 HA ARG 36 -5.177 -1.431 6.036 281 1HB ARG 36 2HB ARG 36 -5.959 -2.646 8.146 282 2HB ARG 36 1HB ARG 36 -7.114 -1.340 8.352 283 1HG ARG 36 2HG ARG 36 -7.002 -2.970 5.837 284 2HG ARG 36 1HG ARG 36 -7.919 -3.490 7.249 285 1HD ARG 36 2HD ARG 36 -9.126 -1.296 7.160 286 2HD ARG 36 1HD ARG 36 -8.309 -0.976 5.629 287 HE ARG 36 HE ARG 36 -9.475 -3.437 5.302 288 1HH1 ARG 36 1HH1 ARG 36 -10.648 -0.227 6.125 289 2HH1 ARG 36 2HH1 ARG 36 -12.228 -0.500 5.437 290 1HH2 ARG 36 1HH2 ARG 36 -11.545 -3.775 4.415 291 2HH2 ARG 36 2HH2 ARG 36 -12.727 -2.507 4.472 292 H ASP 37 H ASP 37 -6.459 0.933 8.370 293 HA ASP 37 HA ASP 37 -8.296 2.082 6.532 294 1HB ASP 37 2HB ASP 37 -8.578 2.204 8.994 295 2HB ASP 37 1HB ASP 37 -7.191 3.286 9.080 296 H GLN 38 H GLN 38 -4.998 2.861 7.485 297 HA GLN 38 HA GLN 38 -4.874 5.373 6.221 298 1HB GLN 38 2HB GLN 38 -2.709 3.408 6.929 299 2HB GLN 38 1HB GLN 38 -2.372 4.970 6.196 300 1HG GLN 38 2HG GLN 38 -3.816 4.565 8.804 301 2HG GLN 38 1HG GLN 38 -2.107 4.954 8.642 302 1HE2 GLN 38 1HE2 GLN 38 -2.287 6.860 9.751 303 2HE2 GLN 38 2HE2 GLN 38 -3.074 8.258 9.102 304 H LEU 39 H LEU 39 -4.405 2.102 4.955 305 HA LEU 39 HA LEU 39 -3.383 2.986 2.454 306 1HB LEU 39 2HB LEU 39 -3.125 0.649 3.186 307 2HB LEU 39 1HB LEU 39 -4.862 0.420 3.052 308 HG LEU 39 HG LEU 39 -4.754 0.812 0.634 309 1HD1 LEU 39 1HD1 LEU 39 -2.858 2.373 0.662 310 2HD1 LEU 39 2HD1 LEU 39 -2.646 1.071 -0.511 311 3HD1 LEU 39 3HD1 LEU 39 -1.778 1.027 1.025 312 1HD2 LEU 39 1HD2 LEU 39 -3.517 -1.171 -0.033 313 2HD2 LEU 39 2HD2 LEU 39 -4.453 -1.477 1.434 314 3HD2 LEU 39 3HD2 LEU 39 -2.711 -1.206 1.535 315 H VAL 40 H VAL 40 -6.653 2.253 3.631 316 HA VAL 40 HA VAL 40 -8.087 2.812 1.313 317 HB VAL 40 HB VAL 40 -8.817 3.524 4.165 318 1HG1 VAL 40 1HG1 VAL 40 -11.123 3.656 3.396 319 2HG1 VAL 40 2HG1 VAL 40 -10.602 3.351 1.739 320 3HG1 VAL 40 3HG1 VAL 40 -10.121 4.837 2.556 321 1HG2 VAL 40 1HG2 VAL 40 -8.444 1.150 3.828 322 2HG2 VAL 40 2HG2 VAL 40 -9.550 1.160 2.452 323 3HG2 VAL 40 3HG2 VAL 40 -10.156 1.480 4.077 324 H GLY 41 H GLY 41 -6.996 5.028 3.856 325 1HA GLY 41 2HA GLY 41 -7.853 7.434 2.723 326 2HA GLY 41 1HA GLY 41 -6.497 7.264 3.828 327 H LYS 42 H LYS 42 -4.671 5.834 2.380 328 HA LYS 42 HA LYS 42 -3.564 7.846 0.749 329 1HB LYS 42 2HB LYS 42 -2.829 5.028 1.367 330 2HB LYS 42 1HB LYS 42 -2.037 5.815 0.015 331 1HG LYS 42 2HG LYS 42 -1.974 6.614 2.916 332 2HG LYS 42 1HG LYS 42 -0.628 6.088 1.889 333 1HD LYS 42 2HD LYS 42 -0.879 8.099 0.533 334 2HD LYS 42 1HD LYS 42 -2.184 8.639 1.570 335 1HE LYS 42 2HE LYS 42 -0.551 8.478 3.489 336 2HE LYS 42 1HE LYS 42 0.705 8.289 2.267 337 1HZ LYS 42 1HZ LYS 42 -0.315 10.441 1.304 338 2HZ LYS 42 2HZ LYS 42 0.710 10.547 2.647 339 3HZ LYS 42 3HZ LYS 42 -0.969 10.641 2.854 340 H ILE 43 H ILE 43 -5.138 4.767 -0.138 341 HA ILE 43 HA ILE 43 -4.878 5.044 -2.920 342 HB ILE 43 HB ILE 43 -7.127 3.776 -1.341 343 1HG1 ILE 43 2HG1 ILE 43 -4.741 2.563 -2.747 344 2HG1 ILE 43 1HG1 ILE 43 -4.874 2.801 -1.010 345 1HG2 ILE 43 1HG2 ILE 43 -7.922 4.311 -3.566 346 2HG2 ILE 43 2HG2 ILE 43 -7.670 2.570 -3.422 347 3HG2 ILE 43 3HG2 ILE 43 -6.496 3.566 -4.283 348 1HD1 ILE 43 1HD1 ILE 43 -6.620 1.020 -2.690 349 2HD1 ILE 43 2HD1 ILE 43 -6.771 1.264 -0.949 350 3HD1 ILE 43 3HD1 ILE 43 -5.326 0.500 -1.612 351 H GLN 44 H GLN 44 -7.433 6.232 -0.749 352 HA GLN 44 HA GLN 44 -9.029 7.511 -2.689 353 1HB GLN 44 2HB GLN 44 -8.608 8.131 0.234 354 2HB GLN 44 1HB GLN 44 -9.832 8.902 -0.755 355 1HG GLN 44 2HG GLN 44 -10.948 6.790 -1.090 356 2HG GLN 44 1HG GLN 44 -9.674 5.947 -0.213 357 1HE2 GLN 44 1HE2 GLN 44 -9.368 7.944 1.831 358 2HE2 GLN 44 2HE2 GLN 44 -10.765 7.857 2.839 359 H GLU 45 H GLU 45 -6.004 8.329 -1.339 360 HA GLU 45 HA GLU 45 -6.316 11.192 -1.757 361 1HB GLU 45 2HB GLU 45 -5.277 10.215 0.295 362 2HB GLU 45 1HB GLU 45 -3.955 9.634 -0.705 363 1HG GLU 45 2HG GLU 45 -3.468 11.978 -1.329 364 2HG GLU 45 1HG GLU 45 -4.716 12.495 -0.195 365 H ARG 46 H ARG 46 -4.270 8.531 -2.874 366 HA ARG 46 HA ARG 46 -2.661 10.192 -4.549 367 1HB ARG 46 2HB ARG 46 -2.826 7.327 -3.869 368 2HB ARG 46 1HB ARG 46 -2.143 7.682 -5.444 369 1HG ARG 46 2HG ARG 46 -0.446 7.478 -3.698 370 2HG ARG 46 1HG ARG 46 -0.455 9.072 -4.452 371 1HD ARG 46 2HD ARG 46 -1.328 10.096 -2.577 372 2HD ARG 46 1HD ARG 46 -2.027 8.603 -1.957 373 HE ARG 46 HE ARG 46 0.171 7.912 -1.284 374 1HH1 ARG 46 1HH1 ARG 46 -0.099 11.295 -2.223 375 2HH1 ARG 46 2HH1 ARG 46 1.315 11.777 -1.329 376 1HH2 ARG 46 1HH2 ARG 46 2.003 8.559 -0.130 377 2HH2 ARG 46 2HH2 ARG 46 2.526 10.217 -0.148 378 H TYR 47 H TYR 47 -5.255 7.840 -5.212 379 HA TYR 47 HA TYR 47 -5.231 8.644 -8.026 380 1HB TYR 47 2HB TYR 47 -6.857 6.553 -6.575 381 2HB TYR 47 1HB TYR 47 -6.945 6.873 -8.301 382 HD1 TYR 47 1HD TYR 47 -5.146 6.196 -9.782 383 HD2 TYR 47 2HD TYR 47 -4.979 5.404 -5.611 384 HE1 TYR 47 1HE TYR 47 -3.341 4.579 -10.168 385 HE2 TYR 47 2HE TYR 47 -3.177 3.793 -5.984 386 HH TYR 47 HH TYR 47 -2.426 2.309 -8.025 387 H GLY 48 H GLY 48 -7.140 8.840 -5.139 388 1HA GLY 48 2HA GLY 48 -8.833 10.401 -4.670 389 2HA GLY 48 1HA GLY 48 -8.884 10.825 -6.378 390 H TYR 49 H TYR 49 -9.397 7.921 -4.392 391 HA TYR 49 HA TYR 49 -11.696 7.238 -6.090 392 1HB TYR 49 2HB TYR 49 -9.948 5.542 -4.310 393 2HB TYR 49 1HB TYR 49 -11.465 4.964 -4.984 394 HD1 TYR 49 1HD TYR 49 -8.371 4.202 -5.330 395 HD2 TYR 49 2HD TYR 49 -11.296 6.145 -7.727 396 HE1 TYR 49 1HE TYR 49 -7.196 3.455 -7.354 397 HE2 TYR 49 2HE TYR 49 -10.126 5.407 -9.765 398 HH TYR 49 HH TYR 49 -7.826 4.697 -10.421 399 H GLN 50 H GLN 50 -13.464 6.080 -4.954 400 HA GLN 50 HA GLN 50 -14.254 7.492 -2.561 401 1HB GLN 50 2HB GLN 50 -15.664 5.370 -4.192 402 2HB GLN 50 1HB GLN 50 -16.368 6.190 -2.806 403 1HG GLN 50 2HG GLN 50 -15.537 7.457 -5.409 404 2HG GLN 50 1HG GLN 50 -17.186 7.164 -4.854 405 1HE2 GLN 50 1HE2 GLN 50 -14.380 9.162 -4.579 406 2HE2 GLN 50 2HE2 GLN 50 -15.087 10.382 -3.568 407 H LYS 51 H LYS 51 -14.937 6.363 -0.609 408 HA LYS 51 HA LYS 51 -13.005 4.552 0.323 409 1HB LYS 51 2HB LYS 51 -14.737 6.096 1.595 410 2HB LYS 51 1HB LYS 51 -15.699 4.621 1.612 411 1HG LYS 51 2HG LYS 51 -13.470 3.562 2.501 412 2HG LYS 51 1HG LYS 51 -13.116 5.226 2.955 413 1HD LYS 51 2HD LYS 51 -14.138 4.093 4.822 414 2HD LYS 51 1HD LYS 51 -15.256 5.308 4.195 415 1HE LYS 51 2HE LYS 51 -16.609 3.682 3.158 416 2HE LYS 51 1HE LYS 51 -15.375 2.433 3.325 417 1HZ LYS 51 1HZ LYS 51 -16.913 3.676 5.548 418 2HZ LYS 51 2HZ LYS 51 -15.707 2.499 5.729 419 3HZ LYS 51 3HZ LYS 51 -17.148 2.119 4.919 420 H ASP 52 H ASP 52 -16.043 4.111 -1.241 421 HA ASP 52 HA ASP 52 -16.650 1.451 -0.728 422 1HB ASP 52 2HB ASP 52 -18.110 2.976 -2.001 423 2HB ASP 52 1HB ASP 52 -16.944 3.017 -3.310 424 H GLN 53 H GLN 53 -14.876 2.768 -3.499 425 HA GLN 53 HA GLN 53 -13.983 0.241 -4.413 426 1HB GLN 53 2HB GLN 53 -14.255 2.336 -5.797 427 2HB GLN 53 1HB GLN 53 -12.794 2.939 -5.037 428 1HG GLN 53 2HG GLN 53 -11.592 0.929 -5.894 429 2HG GLN 53 1HG GLN 53 -13.052 0.498 -6.780 430 1HE2 GLN 53 1HE2 GLN 53 -10.423 1.074 -7.790 431 2HE2 GLN 53 2HE2 GLN 53 -10.588 2.415 -8.868 432 H ALA 54 H ALA 54 -12.578 2.792 -2.433 433 HA ALA 54 HA ALA 54 -9.924 1.959 -2.427 434 1HB ALA 54 1HB ALA 54 -9.666 3.269 -0.411 435 2HB ALA 54 2HB ALA 54 -11.413 3.301 -0.181 436 3HB ALA 54 3HB ALA 54 -10.691 4.120 -1.567 437 H GLU 55 H GLU 55 -12.537 1.075 -0.143 438 HA GLU 55 HA GLU 55 -10.905 -0.606 1.434 439 1HB GLU 55 2HB GLU 55 -13.893 -0.612 1.024 440 2HB GLU 55 1HB GLU 55 -13.067 -1.631 2.196 441 1HG GLU 55 2HG GLU 55 -12.116 0.547 3.140 442 2HG GLU 55 1HG GLU 55 -13.351 1.351 2.172 443 H LYS 56 H LYS 56 -12.974 -1.245 -1.359 444 HA LYS 56 HA LYS 56 -12.703 -4.031 -1.390 445 1HB LYS 56 2HB LYS 56 -13.172 -2.057 -3.624 446 2HB LYS 56 1HB LYS 56 -13.244 -3.802 -3.847 447 1HG LYS 56 2HG LYS 56 -15.109 -4.001 -2.401 448 2HG LYS 56 1HG LYS 56 -14.920 -2.347 -1.821 449 1HD LYS 56 2HD LYS 56 -15.515 -1.495 -4.025 450 2HD LYS 56 1HD LYS 56 -15.669 -3.146 -4.631 451 1HE LYS 56 2HE LYS 56 -17.519 -3.581 -3.193 452 2HE LYS 56 1HE LYS 56 -17.275 -2.068 -2.322 453 1HZ LYS 56 1HZ LYS 56 -18.023 -2.250 -5.193 454 2HZ LYS 56 2HZ LYS 56 -17.925 -0.840 -4.255 455 3HZ LYS 56 3HZ LYS 56 -19.123 -1.994 -3.928 456 H GLU 57 H GLU 57 -10.687 -1.512 -2.870 457 HA GLU 57 HA GLU 57 -8.873 -3.272 -4.134 458 1HB GLU 57 2HB GLU 57 -8.337 -0.484 -3.081 459 2HB GLU 57 1HB GLU 57 -7.356 -1.354 -4.252 460 1HG GLU 57 2HG GLU 57 -10.145 -0.298 -4.623 461 2HG GLU 57 1HG GLU 57 -8.669 0.234 -5.428 462 H VAL 58 H VAL 58 -8.931 -1.791 -0.925 463 HA VAL 58 HA VAL 58 -6.404 -2.685 -0.071 464 HB VAL 58 HB VAL 58 -8.863 -2.011 1.554 465 1HG1 VAL 58 1HG1 VAL 58 -7.418 -3.493 2.839 466 2HG1 VAL 58 2HG1 VAL 58 -7.353 -1.853 3.485 467 3HG1 VAL 58 3HG1 VAL 58 -6.030 -2.466 2.493 468 1HG2 VAL 58 1HG2 VAL 58 -7.959 -0.140 0.289 469 2HG2 VAL 58 2HG2 VAL 58 -6.352 -0.450 0.944 470 3HG2 VAL 58 3HG2 VAL 58 -7.650 0.079 2.014 471 H VAL 59 H VAL 59 -9.645 -4.105 0.414 472 HA VAL 59 HA VAL 59 -8.807 -6.288 1.956 473 HB VAL 59 HB VAL 59 -11.189 -6.091 0.107 474 1HG1 VAL 59 1HG1 VAL 59 -12.141 -7.945 1.387 475 2HG1 VAL 59 2HG1 VAL 59 -10.646 -8.082 2.313 476 3HG1 VAL 59 3HG1 VAL 59 -10.648 -8.430 0.583 477 1HG2 VAL 59 1HG2 VAL 59 -11.177 -4.406 1.860 478 2HG2 VAL 59 2HG2 VAL 59 -10.916 -5.654 3.081 479 3HG2 VAL 59 3HG2 VAL 59 -12.427 -5.609 2.169 480 H ASP 60 H ASP 60 -9.064 -5.927 -1.557 481 HA ASP 60 HA ASP 60 -8.540 -8.598 -2.252 482 1HB ASP 60 2HB ASP 60 -9.333 -6.924 -3.884 483 2HB ASP 60 1HB ASP 60 -7.785 -6.089 -3.774 484 H TRP 61 H TRP 61 -6.278 -5.845 -2.139 485 HA TRP 61 HA TRP 61 -3.936 -7.337 -2.558 486 1HB TRP 61 2HB TRP 61 -4.054 -4.894 -2.822 487 2HB TRP 61 1HB TRP 61 -4.290 -4.711 -1.089 488 HD1 TRP 61 HD TRP 61 -1.597 -5.450 -3.683 489 HE1 TRP 61 1HE TRP 61 0.712 -5.237 -2.571 490 HE3 TRP 61 3HE TRP 61 -3.092 -4.933 1.174 491 HZ2 TRP 61 2HZ TRP 61 1.760 -4.908 0.035 492 HZ3 TRP 61 3HZ TRP 61 -1.375 -4.674 2.914 493 HH2 TRP 61 HH TRP 61 0.998 -4.662 2.355 494 H GLU 62 H GLU 62 -5.602 -6.387 0.390 495 HA GLU 62 HA GLU 62 -3.734 -7.196 2.281 496 1HB GLU 62 2HB GLU 62 -5.580 -5.866 2.966 497 2HB GLU 62 1HB GLU 62 -6.743 -7.034 2.360 498 1HG GLU 62 2HG GLU 62 -6.673 -8.256 4.220 499 2HG GLU 62 1HG GLU 62 -4.930 -8.082 4.391 500 H THR 63 H THR 63 -6.431 -9.028 0.882 501 HA THR 63 HA THR 63 -5.915 -11.392 2.348 502 HB THR 63 HB THR 63 -7.360 -11.145 -0.285 503 HG1 THR 63 1HG THR 63 -8.372 -9.717 1.060 504 1HG2 THR 63 1HG2 THR 63 -6.903 -13.450 0.425 505 2HG2 THR 63 2HG2 THR 63 -8.626 -13.082 0.507 506 3HG2 THR 63 3HG2 THR 63 -7.661 -13.115 1.983 507 H ARG 64 H ARG 64 -4.566 -10.075 -0.572 508 HA ARG 64 HA ARG 64 -3.519 -12.499 -1.632 509 1HB ARG 64 2HB ARG 64 -2.617 -9.642 -2.029 510 2HB ARG 64 1HB ARG 64 -1.989 -11.012 -2.929 511 1HG ARG 64 2HG ARG 64 -4.304 -11.434 -3.755 512 2HG ARG 64 1HG ARG 64 -4.789 -9.922 -2.981 513 1HD ARG 64 2HD ARG 64 -3.073 -8.738 -4.317 514 2HD ARG 64 1HD ARG 64 -2.707 -10.253 -5.139 515 HE ARG 64 HE ARG 64 -5.296 -8.823 -5.321 516 1HH1 ARG 64 1HH1 ARG 64 -2.875 -10.986 -6.645 517 2HH1 ARG 64 2HH1 ARG 64 -3.594 -11.044 -8.225 518 1HH2 ARG 64 1HH2 ARG 64 -6.251 -8.891 -7.388 519 2HH2 ARG 64 2HH2 ARG 64 -5.535 -9.854 -8.649 520 H ASN 65 H ASN 65 -2.253 -10.070 0.602 521 HA ASN 65 HA ASN 65 0.294 -11.533 0.712 522 1HB ASN 65 2HB ASN 65 -0.395 -8.722 1.572 523 2HB ASN 65 1HB ASN 65 1.177 -9.477 1.815 524 1HD2 ASN 65 1HD2 ASN 65 -1.015 -8.089 -0.472 525 2HD2 ASN 65 2HD2 ASN 65 0.094 -8.021 -1.797 526 H GLU 66 H GLU 66 -1.811 -9.766 2.962 527 HA GLU 66 HA GLU 66 -2.673 -10.287 4.987 528 1HB GLU 66 2HB GLU 66 -1.447 -13.005 4.535 529 2HB GLU 66 1HB GLU 66 -2.425 -12.582 5.934 530 1HG GLU 66 2HG GLU 66 -4.249 -11.955 4.311 531 2HG GLU 66 1HG GLU 66 -3.271 -12.721 3.059 532 H TYR 67 H TYR 67 0.689 -10.881 4.389 533 HA TYR 67 HA TYR 67 1.586 -10.853 7.066 534 1HB TYR 67 2HB TYR 67 2.984 -11.653 5.216 535 2HB TYR 67 1HB TYR 67 3.011 -10.040 4.520 536 HD1 TYR 67 1HD TYR 67 5.413 -9.973 4.487 537 HD2 TYR 67 2HD TYR 67 3.325 -10.527 8.147 538 HE1 TYR 67 1HE TYR 67 7.463 -9.442 5.725 539 HE2 TYR 67 2HE TYR 67 5.374 -10.002 9.398 540 HH TYR 67 HH TYR 67 7.631 -9.769 9.217 541 H ARG 68 H ARG 68 0.702 -9.278 8.256 542 HA ARG 68 HA ARG 68 1.608 -6.591 8.023 543 1HB ARG 68 2HB ARG 68 -0.173 -6.566 6.309 544 2HB ARG 68 1HB ARG 68 -1.323 -7.170 7.493 545 1HG ARG 68 2HG ARG 68 0.095 -4.666 8.165 546 2HG ARG 68 1HG ARG 68 -1.091 -4.594 6.862 547 1HD ARG 68 2HD ARG 68 -1.708 -5.793 9.553 548 2HD ARG 68 1HD ARG 68 -1.920 -4.078 9.208 549 HE ARG 68 HE ARG 68 -3.277 -5.374 7.205 550 1HH1 ARG 68 1HH1 ARG 68 -3.418 -5.560 10.712 551 2HH1 ARG 68 2HH1 ARG 68 -5.150 -5.743 10.737 552 1HH2 ARG 68 1HH2 ARG 68 -5.523 -5.664 7.257 553 2HH2 ARG 68 2HH2 ARG 68 -6.339 -5.803 8.792 554 H TRP 69 H TRP 69 -1.112 -8.499 9.241 555 HA TRP 69 HA TRP 69 -2.004 -8.837 11.290 556 1HB TRP 69 2HB TRP 69 0.331 -9.895 11.437 557 2HB TRP 69 1HB TRP 69 0.775 -8.489 12.400 558 HD1 TRP 69 HD TRP 69 0.271 -8.635 14.934 559 HE1 TRP 69 1HE TRP 69 -1.042 -10.258 16.444 560 HE3 TRP 69 3HE TRP 69 -1.907 -11.527 11.319 561 HZ2 TRP 69 2HZ TRP 69 -2.771 -12.465 16.138 562 HZ3 TRP 69 3HZ TRP 69 -3.377 -13.375 12.014 563 HH2 TRP 69 HH TRP 69 -3.798 -13.832 14.376 Start of MODEL 13 1 1H MET 1 1HT MET 1 -3.223 -12.063 18.237 2 2H MET 1 2HT MET 1 -3.010 -13.314 17.114 3 3H MET 1 3HT MET 1 -3.188 -11.714 16.584 4 HA MET 1 HA MET 1 -0.937 -12.690 18.236 5 1HB MET 1 2HB MET 1 -1.263 -12.330 15.272 6 2HB MET 1 1HB MET 1 0.314 -12.138 16.020 7 1HG MET 1 2HG MET 1 -1.388 -14.606 16.239 8 2HG MET 1 1HG MET 1 -0.083 -14.386 15.075 9 1HE MET 1 1HE MET 1 1.577 -16.919 17.476 10 2HE MET 1 2HE MET 1 1.235 -16.493 15.799 11 3HE MET 1 3HE MET 1 -0.087 -16.896 16.895 12 H ASN 2 H ASN 2 0.645 -11.131 18.664 13 HA ASN 2 HA ASN 2 -0.152 -8.375 18.491 14 1HB ASN 2 2HB ASN 2 1.218 -9.399 20.385 15 2HB ASN 2 1HB ASN 2 2.570 -9.446 19.262 16 1HD2 ASN 2 1HD2 ASN 2 2.220 -7.995 21.787 17 2HD2 ASN 2 2HD2 ASN 2 2.490 -6.328 21.410 18 H LYS 3 H LYS 3 0.620 -6.852 17.063 19 HA LYS 3 HA LYS 3 1.405 -7.716 14.515 20 1HB LYS 3 2HB LYS 3 0.238 -5.574 14.977 21 2HB LYS 3 1HB LYS 3 1.719 -4.946 15.687 22 1HG LYS 3 2HG LYS 3 2.853 -5.260 13.525 23 2HG LYS 3 1HG LYS 3 1.326 -5.799 12.831 24 1HD LYS 3 2HD LYS 3 0.333 -3.617 13.394 25 2HD LYS 3 1HD LYS 3 1.898 -3.088 14.014 26 1HE LYS 3 2HE LYS 3 1.238 -3.880 11.182 27 2HE LYS 3 1HE LYS 3 1.612 -2.260 11.768 28 1HZ LYS 3 1HZ LYS 3 3.429 -4.563 11.391 29 2HZ LYS 3 2HZ LYS 3 3.820 -3.339 12.495 30 3HZ LYS 3 3HZ LYS 3 3.603 -2.954 10.866 31 H ASP 4 H ASP 4 3.348 -7.946 13.524 32 HA ASP 4 HA ASP 4 5.647 -8.092 15.275 33 1HB ASP 4 2HB ASP 4 5.055 -9.903 13.629 34 2HB ASP 4 1HB ASP 4 5.495 -8.794 12.335 35 H GLU 5 H GLU 5 7.778 -7.353 14.409 36 HA GLU 5 HA GLU 5 7.632 -4.539 13.813 37 1HB GLU 5 2HB GLU 5 9.289 -5.372 15.396 38 2HB GLU 5 1HB GLU 5 9.975 -6.424 14.165 39 1HG GLU 5 2HG GLU 5 10.486 -4.310 12.860 40 2HG GLU 5 1HG GLU 5 10.099 -3.433 14.340 41 H ALA 6 H ALA 6 7.613 -3.696 11.811 42 HA ALA 6 HA ALA 6 8.126 -5.320 9.504 43 1HB ALA 6 1HB ALA 6 7.720 -2.337 9.689 44 2HB ALA 6 2HB ALA 6 6.450 -3.539 9.455 45 3HB ALA 6 3HB ALA 6 7.683 -3.305 8.216 46 H GLY 7 H GLY 7 10.178 -5.977 9.302 47 1HA GLY 7 2HA GLY 7 12.180 -3.942 8.707 48 2HA GLY 7 1HA GLY 7 12.555 -5.062 10.014 49 H GLY 8 H GLY 8 13.611 -4.596 7.164 50 1HA GLY 8 2HA GLY 8 14.717 -6.051 5.712 51 2HA GLY 8 1HA GLY 8 13.990 -7.407 6.562 52 H ASN 9 H ASN 9 11.316 -6.616 6.337 53 HA ASN 9 HA ASN 9 10.785 -7.130 3.515 54 1HB ASN 9 2HB ASN 9 8.421 -7.490 4.337 55 2HB ASN 9 1HB ASN 9 9.613 -8.605 4.994 56 1HD2 ASN 9 1HD2 ASN 9 8.386 -9.086 6.786 57 2HD2 ASN 9 2HD2 ASN 9 8.126 -7.966 8.079 58 H TRP 10 H TRP 10 11.395 -4.518 5.210 59 HA TRP 10 HA TRP 10 9.192 -2.823 5.094 60 1HB TRP 10 2HB TRP 10 11.189 -2.365 6.424 61 2HB TRP 10 1HB TRP 10 12.140 -2.163 4.960 62 HD1 TRP 10 HD TRP 10 12.380 0.239 4.111 63 HE1 TRP 10 1HE TRP 10 11.225 2.488 4.607 64 HE3 TRP 10 3HE TRP 10 8.639 -1.438 7.167 65 HZ2 TRP 10 2HZ TRP 10 9.009 3.412 6.090 66 HZ3 TRP 10 3HZ TRP 10 7.045 0.195 8.079 67 HH2 TRP 10 HH TRP 10 7.227 2.569 7.554 68 H LYS 11 H LYS 11 11.933 -3.029 2.786 69 HA LYS 11 HA LYS 11 10.661 -1.266 0.913 70 1HB LYS 11 2HB LYS 11 13.106 -1.483 0.986 71 2HB LYS 11 1HB LYS 11 12.983 -3.178 0.534 72 1HG LYS 11 2HG LYS 11 11.933 -2.459 -1.611 73 2HG LYS 11 1HG LYS 11 12.269 -0.788 -1.152 74 1HD LYS 11 2HD LYS 11 14.634 -1.212 -1.133 75 2HD LYS 11 1HD LYS 11 14.371 -2.937 -1.401 76 1HE LYS 11 2HE LYS 11 13.324 -2.388 -3.580 77 2HE LYS 11 1HE LYS 11 13.724 -0.692 -3.313 78 1HZ LYS 11 1HZ LYS 11 16.061 -1.276 -3.274 79 2HZ LYS 11 2HZ LYS 11 15.353 -1.792 -4.725 80 3HZ LYS 11 3HZ LYS 11 15.686 -2.917 -3.502 81 H GLN 12 H GLN 12 10.528 -4.595 1.602 82 HA GLN 12 HA GLN 12 9.929 -5.662 -0.927 83 1HB GLN 12 2HB GLN 12 10.703 -6.911 1.109 84 2HB GLN 12 1HB GLN 12 9.084 -6.729 1.768 85 1HG GLN 12 2HG GLN 12 8.160 -8.047 -0.020 86 2HG GLN 12 1HG GLN 12 9.739 -8.147 -0.805 87 1HE2 GLN 12 1HE2 GLN 12 8.023 -10.292 0.151 88 2HE2 GLN 12 2HE2 GLN 12 8.959 -11.173 1.316 89 H PHE 13 H PHE 13 7.807 -4.498 1.701 90 HA PHE 13 HA PHE 13 5.476 -5.133 0.114 91 1HB PHE 13 2HB PHE 13 5.878 -4.177 2.892 92 2HB PHE 13 1HB PHE 13 4.314 -3.889 2.109 93 HD1 PHE 13 1HD PHE 13 6.619 -6.353 3.372 94 HD2 PHE 13 2HD PHE 13 2.951 -5.720 1.319 95 HE1 PHE 13 1HE PHE 13 6.082 -8.711 3.629 96 HE2 PHE 13 2HE PHE 13 2.397 -8.069 1.588 97 HZ PHE 13 HZ PHE 13 3.947 -9.602 2.754 98 H LYS 14 H LYS 14 7.302 -2.344 0.964 99 HA LYS 14 HA LYS 14 5.555 -0.426 -0.108 100 1HB LYS 14 2HB LYS 14 8.570 -0.398 -0.160 101 2HB LYS 14 1HB LYS 14 7.554 0.974 -0.535 102 1HG LYS 14 2HG LYS 14 6.763 1.108 1.694 103 2HG LYS 14 1HG LYS 14 7.482 -0.446 2.115 104 1HD LYS 14 2HD LYS 14 8.816 1.395 2.993 105 2HD LYS 14 1HD LYS 14 9.715 0.495 1.772 106 1HE LYS 14 2HE LYS 14 9.030 2.213 0.108 107 2HE LYS 14 1HE LYS 14 8.315 3.138 1.426 108 1HZ LYS 14 1HZ LYS 14 10.528 3.200 2.475 109 2HZ LYS 14 2HZ LYS 14 10.497 3.960 0.962 110 3HZ LYS 14 3HZ LYS 14 11.179 2.419 1.119 111 H GLY 15 H GLY 15 7.989 -2.479 -1.632 112 1HA GLY 15 2HA GLY 15 7.413 -1.668 -4.294 113 2HA GLY 15 1HA GLY 15 8.218 -3.157 -3.815 114 H LYS 16 H LYS 16 6.040 -4.120 -2.154 115 HA LYS 16 HA LYS 16 4.653 -5.569 -4.135 116 1HB LYS 16 2HB LYS 16 5.135 -5.863 -1.455 117 2HB LYS 16 1HB LYS 16 3.408 -5.537 -1.487 118 1HG LYS 16 2HG LYS 16 3.684 -7.883 -1.572 119 2HG LYS 16 1HG LYS 16 3.206 -7.365 -3.192 120 1HD LYS 16 2HD LYS 16 5.614 -7.354 -3.824 121 2HD LYS 16 1HD LYS 16 5.990 -8.040 -2.244 122 1HE LYS 16 2HE LYS 16 5.900 -9.802 -3.886 123 2HE LYS 16 1HE LYS 16 4.543 -9.963 -2.770 124 1HZ LYS 16 1HZ LYS 16 4.397 -8.715 -5.464 125 2HZ LYS 16 2HZ LYS 16 3.101 -8.959 -4.399 126 3HZ LYS 16 3HZ LYS 16 3.887 -10.291 -5.086 127 H VAL 17 H VAL 17 3.536 -3.005 -1.896 128 HA VAL 17 HA VAL 17 0.905 -2.918 -2.964 129 HB VAL 17 HB VAL 17 2.302 -0.578 -1.668 130 1HG1 VAL 17 1HG1 VAL 17 0.044 0.046 -0.965 131 2HG1 VAL 17 2HG1 VAL 17 -0.608 -1.368 -1.790 132 3HG1 VAL 17 3HG1 VAL 17 0.159 -0.082 -2.721 133 1HG2 VAL 17 1HG2 VAL 17 0.847 -2.830 -0.290 134 2HG2 VAL 17 2HG2 VAL 17 1.458 -1.360 0.475 135 3HG2 VAL 17 3HG2 VAL 17 2.582 -2.522 -0.230 136 H LYS 18 H LYS 18 3.941 -1.447 -3.925 137 HA LYS 18 HA LYS 18 2.721 0.377 -5.755 138 1HB LYS 18 2HB LYS 18 5.555 -0.593 -5.452 139 2HB LYS 18 1HB LYS 18 5.073 0.527 -6.722 140 1HG LYS 18 2HG LYS 18 4.298 2.120 -5.059 141 2HG LYS 18 1HG LYS 18 4.713 0.992 -3.769 142 1HD LYS 18 2HD LYS 18 6.462 2.610 -3.915 143 2HD LYS 18 1HD LYS 18 7.083 1.087 -4.555 144 1HE LYS 18 2HE LYS 18 6.731 1.871 -6.822 145 2HE LYS 18 1HE LYS 18 6.019 3.367 -6.216 146 1HZ LYS 18 1HZ LYS 18 8.100 4.009 -5.285 147 2HZ LYS 18 2HZ LYS 18 8.378 3.563 -6.898 148 3HZ LYS 18 3HZ LYS 18 8.802 2.508 -5.641 149 H GLU 19 H GLU 19 3.718 -2.981 -5.975 150 HA GLU 19 HA GLU 19 3.369 -3.236 -8.784 151 1HB GLU 19 2HB GLU 19 2.874 -5.281 -6.603 152 2HB GLU 19 1HB GLU 19 2.959 -5.636 -8.322 153 1HG GLU 19 2HG GLU 19 5.307 -4.813 -8.307 154 2HG GLU 19 1HG GLU 19 5.186 -4.656 -6.555 155 H GLN 20 H GLN 20 1.240 -3.626 -6.019 156 HA GLN 20 HA GLN 20 -1.157 -4.189 -7.306 157 1HB GLN 20 2HB GLN 20 -1.261 -4.510 -5.056 158 2HB GLN 20 1HB GLN 20 -0.308 -3.090 -4.689 159 1HG GLN 20 2HG GLN 20 -2.481 -2.771 -3.803 160 2HG GLN 20 1HG GLN 20 -2.305 -1.703 -5.184 161 1HE2 GLN 20 1HE2 GLN 20 -4.540 -1.520 -5.322 162 2HE2 GLN 20 2HE2 GLN 20 -5.516 -2.780 -5.974 163 H TRP 21 H TRP 21 -0.134 -1.013 -6.076 164 HA TRP 21 HA TRP 21 -1.850 0.200 -8.123 165 1HB TRP 21 2HB TRP 21 -1.522 0.778 -5.241 166 2HB TRP 21 1HB TRP 21 -1.692 2.174 -6.294 167 HD1 TRP 21 HD TRP 21 -3.981 1.281 -4.207 168 HE1 TRP 21 1HE TRP 21 -6.355 0.770 -5.104 169 HE3 TRP 21 3HE TRP 21 -2.838 0.314 -9.113 170 HZ2 TRP 21 2HZ TRP 21 -7.551 0.047 -7.541 171 HZ3 TRP 21 3HZ TRP 21 -4.661 -0.279 -10.648 172 HH2 TRP 21 HH TRP 21 -6.966 -0.410 -9.878 173 H GLY 22 H GLY 22 0.791 1.409 -6.045 174 1HA GLY 22 2HA GLY 22 2.951 1.984 -6.773 175 2HA GLY 22 1HA GLY 22 2.426 1.742 -8.431 176 H LYS 23 H LYS 23 0.023 3.534 -7.567 177 HA LYS 23 HA LYS 23 1.123 6.019 -8.433 178 1HB LYS 23 2HB LYS 23 -1.413 4.930 -8.295 179 2HB LYS 23 1HB LYS 23 -1.446 6.147 -7.026 180 1HG LYS 23 2HG LYS 23 -0.525 6.754 -9.810 181 2HG LYS 23 1HG LYS 23 -2.215 6.855 -9.324 182 1HD LYS 23 2HD LYS 23 -1.722 8.544 -7.701 183 2HD LYS 23 1HD LYS 23 0.012 8.331 -7.931 184 1HE LYS 23 2HE LYS 23 -0.802 10.345 -9.052 185 2HE LYS 23 1HE LYS 23 -0.171 9.174 -10.208 186 1HZ LYS 23 1HZ LYS 23 -3.052 9.570 -9.585 187 2HZ LYS 23 2HZ LYS 23 -2.414 8.512 -10.745 188 3HZ LYS 23 3HZ LYS 23 -2.254 10.186 -10.946 189 H LEU 24 H LEU 24 0.999 4.385 -5.514 190 HA LEU 24 HA LEU 24 0.937 6.631 -3.749 191 1HB LEU 24 2HB LEU 24 1.727 3.767 -3.282 192 2HB LEU 24 1HB LEU 24 1.561 4.944 -2.025 193 HG LEU 24 HG LEU 24 -0.638 3.858 -3.772 194 1HD1 LEU 24 1HD1 LEU 24 0.141 2.388 -1.968 195 2HD1 LEU 24 2HD1 LEU 24 -1.501 2.969 -1.694 196 3HD1 LEU 24 3HD1 LEU 24 -0.154 3.683 -0.805 197 1HD2 LEU 24 1HD2 LEU 24 -1.042 6.215 -3.362 198 2HD2 LEU 24 2HD2 LEU 24 -0.748 5.987 -1.638 199 3HD2 LEU 24 3HD2 LEU 24 -2.148 5.232 -2.402 200 H THR 25 H THR 25 2.891 6.349 -2.009 201 HA THR 25 HA THR 25 5.372 6.823 -3.497 202 HB THR 25 HB THR 25 5.669 8.913 -2.094 203 HG1 THR 25 1HG THR 25 3.123 8.101 -1.315 204 1HG2 THR 25 1HG2 THR 25 3.366 8.907 -4.052 205 2HG2 THR 25 2HG2 THR 25 5.074 9.045 -4.468 206 3HG2 THR 25 3HG2 THR 25 4.285 10.324 -3.546 207 H ASP 26 H ASP 26 7.129 7.401 -1.881 208 HA ASP 26 HA ASP 26 7.637 5.166 -0.298 209 1HB ASP 26 2HB ASP 26 9.330 6.669 -1.343 210 2HB ASP 26 1HB ASP 26 8.943 7.887 -0.133 211 H ASP 27 H ASP 27 6.565 8.428 0.645 212 HA ASP 27 HA ASP 27 6.877 7.896 3.427 213 1HB ASP 27 2HB ASP 27 5.477 10.043 3.674 214 2HB ASP 27 1HB ASP 27 7.085 10.153 2.984 215 H ASP 28 H ASP 28 4.042 7.880 1.266 216 HA ASP 28 HA ASP 28 2.155 7.722 3.348 217 1HB ASP 28 2HB ASP 28 0.539 6.968 1.747 218 2HB ASP 28 1HB ASP 28 1.533 8.175 1.010 219 H MET 29 H MET 29 3.912 5.308 1.565 220 HA MET 29 HA MET 29 2.400 3.224 2.783 221 1HB MET 29 2HB MET 29 3.580 3.315 0.462 222 2HB MET 29 1HB MET 29 4.950 2.754 1.376 223 1HG MET 29 2HG MET 29 3.603 0.906 2.237 224 2HG MET 29 1HG MET 29 2.245 1.503 1.279 225 1HE MET 29 1HE MET 29 2.151 1.413 -1.362 226 2HE MET 29 2HE MET 29 3.519 0.927 -2.358 227 3HE MET 29 3HE MET 29 3.611 2.405 -1.396 228 H THR 30 H THR 30 5.287 4.945 3.523 229 HA THR 30 HA THR 30 6.386 3.251 5.461 230 HB THR 30 HB THR 30 6.194 6.273 5.389 231 HG1 THR 30 1HG THR 30 7.444 5.436 3.710 232 1HG2 THR 30 1HG2 THR 30 6.576 5.544 7.693 233 2HG2 THR 30 2HG2 THR 30 8.035 6.280 7.026 234 3HG2 THR 30 3HG2 THR 30 7.911 4.525 7.159 235 H ILE 31 H ILE 31 3.549 5.283 5.427 236 HA ILE 31 HA ILE 31 2.993 4.859 8.250 237 HB ILE 31 HB ILE 31 0.979 6.087 6.430 238 1HG1 ILE 31 2HG1 ILE 31 3.544 7.487 7.265 239 2HG1 ILE 31 1HG1 ILE 31 3.070 7.073 5.625 240 1HG2 ILE 31 1HG2 ILE 31 0.626 7.539 8.365 241 2HG2 ILE 31 2HG2 ILE 31 1.987 6.775 9.189 242 3HG2 ILE 31 3HG2 ILE 31 0.542 5.836 8.817 243 1HD1 ILE 31 1HD1 ILE 31 2.706 9.417 6.063 244 2HD1 ILE 31 2HD1 ILE 31 1.660 9.017 7.426 245 3HD1 ILE 31 3HD1 ILE 31 1.170 8.594 5.786 246 H ILE 32 H ILE 32 2.019 3.686 5.109 247 HA ILE 32 HA ILE 32 -0.424 2.450 5.942 248 HB ILE 32 HB ILE 32 1.225 2.031 3.433 249 1HG1 ILE 32 2HG1 ILE 32 -1.268 3.656 3.946 250 2HG1 ILE 32 1HG1 ILE 32 0.346 4.302 3.672 251 1HG2 ILE 32 1HG2 ILE 32 -0.803 1.029 2.471 252 2HG2 ILE 32 2HG2 ILE 32 -1.584 1.126 4.049 253 3HG2 ILE 32 3HG2 ILE 32 -0.178 0.086 3.825 254 1HD1 ILE 32 1HD1 ILE 32 0.329 3.433 1.416 255 2HD1 ILE 32 2HD1 ILE 32 -1.074 4.462 1.696 256 3HD1 ILE 32 3HD1 ILE 32 -1.256 2.709 1.689 257 H GLU 33 H GLU 33 2.839 1.666 6.197 258 HA GLU 33 HA GLU 33 3.464 -0.856 5.931 259 1HB GLU 33 2HB GLU 33 4.874 0.601 7.205 260 2HB GLU 33 1HB GLU 33 3.682 0.715 8.496 261 1HG GLU 33 2HG GLU 33 4.076 -1.935 8.459 262 2HG GLU 33 1HG GLU 33 5.662 -1.378 7.922 263 H GLY 34 H GLY 34 1.605 0.041 8.854 264 1HA GLY 34 2HA GLY 34 0.385 -2.642 8.711 265 2HA GLY 34 1HA GLY 34 0.905 -1.938 10.233 266 H LYS 35 H LYS 35 -0.507 0.117 7.844 267 HA LYS 35 HA LYS 35 -2.890 0.287 9.561 268 1HB LYS 35 2HB LYS 35 -1.684 2.549 7.969 269 2HB LYS 35 1HB LYS 35 -3.043 2.648 9.074 270 1HG LYS 35 2HG LYS 35 -0.155 2.177 9.741 271 2HG LYS 35 1HG LYS 35 -1.171 3.541 10.199 272 1HD LYS 35 2HD LYS 35 -2.567 1.962 11.537 273 2HD LYS 35 1HD LYS 35 -1.385 0.698 11.172 274 1HE LYS 35 2HE LYS 35 -0.886 1.617 13.340 275 2HE LYS 35 1HE LYS 35 0.372 2.103 12.204 276 1HZ LYS 35 1HZ LYS 35 -1.901 3.785 13.130 277 2HZ LYS 35 2HZ LYS 35 -0.749 4.260 11.984 278 3HZ LYS 35 3HZ LYS 35 -0.273 3.962 13.584 279 H ARG 36 H ARG 36 -4.277 -0.949 8.493 280 HA ARG 36 HA ARG 36 -4.784 -0.992 5.733 281 1HB ARG 36 2HB ARG 36 -5.649 -2.712 7.199 282 2HB ARG 36 1HB ARG 36 -6.584 -1.535 8.103 283 1HG ARG 36 2HG ARG 36 -7.138 -1.876 5.197 284 2HG ARG 36 1HG ARG 36 -7.714 -3.097 6.331 285 1HD ARG 36 2HD ARG 36 -8.783 -1.250 7.640 286 2HD ARG 36 1HD ARG 36 -8.345 -0.151 6.337 287 HE ARG 36 HE ARG 36 -9.905 -1.211 4.937 288 1HH1 ARG 36 1HH1 ARG 36 -9.872 -2.619 8.150 289 2HH1 ARG 36 2HH1 ARG 36 -11.452 -3.328 7.987 290 1HH2 ARG 36 1HH2 ARG 36 -11.996 -2.137 4.741 291 2HH2 ARG 36 2HH2 ARG 36 -12.660 -3.047 6.063 292 H ASP 37 H ASP 37 -5.988 1.032 8.340 293 HA ASP 37 HA ASP 37 -7.898 2.561 7.028 294 1HB ASP 37 2HB ASP 37 -7.652 2.846 9.368 295 2HB ASP 37 1HB ASP 37 -5.934 3.202 9.226 296 H GLN 38 H GLN 38 -4.397 2.914 7.084 297 HA GLN 38 HA GLN 38 -4.328 5.447 5.847 298 1HB GLN 38 2HB GLN 38 -2.288 3.340 6.402 299 2HB GLN 38 1HB GLN 38 -1.884 4.664 5.316 300 1HG GLN 38 2HG GLN 38 -2.929 5.030 8.108 301 2HG GLN 38 1HG GLN 38 -1.220 5.050 7.668 302 1HE2 GLN 38 1HE2 GLN 38 -2.999 7.126 8.787 303 2HE2 GLN 38 2HE2 GLN 38 -2.849 8.479 7.717 304 H LEU 39 H LEU 39 -3.845 2.160 4.481 305 HA LEU 39 HA LEU 39 -3.326 3.103 1.874 306 1HB LEU 39 2HB LEU 39 -2.854 0.790 2.508 307 2HB LEU 39 1HB LEU 39 -4.571 0.468 2.660 308 HG LEU 39 HG LEU 39 -4.907 0.694 0.287 309 1HD1 LEU 39 1HD1 LEU 39 -3.421 2.542 -0.182 310 2HD1 LEU 39 2HD1 LEU 39 -3.049 1.182 -1.247 311 3HD1 LEU 39 3HD1 LEU 39 -2.015 1.526 0.143 312 1HD2 LEU 39 1HD2 LEU 39 -2.421 -0.906 0.844 313 2HD2 LEU 39 2HD2 LEU 39 -3.414 -1.035 -0.609 314 3HD2 LEU 39 3HD2 LEU 39 -4.087 -1.475 0.965 315 H VAL 40 H VAL 40 -6.393 2.342 3.485 316 HA VAL 40 HA VAL 40 -8.102 2.658 1.299 317 HB VAL 40 HB VAL 40 -8.539 3.316 4.217 318 1HG1 VAL 40 1HG1 VAL 40 -10.041 4.700 2.855 319 2HG1 VAL 40 2HG1 VAL 40 -10.925 3.454 3.737 320 3HG1 VAL 40 3HG1 VAL 40 -10.604 3.255 2.013 321 1HG2 VAL 40 1HG2 VAL 40 -9.507 1.050 2.481 322 2HG2 VAL 40 2HG2 VAL 40 -9.875 1.271 4.192 323 3HG2 VAL 40 3HG2 VAL 40 -8.217 0.954 3.680 324 H GLY 41 H GLY 41 -7.032 5.129 3.645 325 1HA GLY 41 2HA GLY 41 -8.255 7.308 2.339 326 2HA GLY 41 1HA GLY 41 -6.909 7.414 3.466 327 H LYS 42 H LYS 42 -5.039 5.883 2.005 328 HA LYS 42 HA LYS 42 -3.960 7.962 0.441 329 1HB LYS 42 2HB LYS 42 -3.152 5.111 0.904 330 2HB LYS 42 1HB LYS 42 -2.265 6.128 -0.219 331 1HG LYS 42 2HG LYS 42 -2.603 6.473 2.746 332 2HG LYS 42 1HG LYS 42 -1.111 6.266 1.828 333 1HD LYS 42 2HD LYS 42 -1.517 8.463 0.755 334 2HD LYS 42 1HD LYS 42 -2.935 8.669 1.784 335 1HE LYS 42 2HE LYS 42 -1.354 8.322 3.747 336 2HE LYS 42 1HE LYS 42 -0.047 8.536 2.586 337 1HZ LYS 42 1HZ LYS 42 -2.158 10.514 3.258 338 2HZ LYS 42 2HZ LYS 42 -1.027 10.717 2.016 339 3HZ LYS 42 3HZ LYS 42 -0.509 10.625 3.631 340 H ILE 43 H ILE 43 -5.515 4.902 -0.507 341 HA ILE 43 HA ILE 43 -5.096 5.234 -3.280 342 HB ILE 43 HB ILE 43 -7.358 3.795 -1.873 343 1HG1 ILE 43 2HG1 ILE 43 -4.795 2.724 -3.073 344 2HG1 ILE 43 1HG1 ILE 43 -5.080 2.949 -1.353 345 1HG2 ILE 43 1HG2 ILE 43 -7.953 4.317 -4.172 346 2HG2 ILE 43 2HG2 ILE 43 -7.641 2.589 -3.997 347 3HG2 ILE 43 3HG2 ILE 43 -6.427 3.634 -4.738 348 1HD1 ILE 43 1HD1 ILE 43 -6.873 1.313 -1.416 349 2HD1 ILE 43 2HD1 ILE 43 -5.366 0.625 -2.027 350 3HD1 ILE 43 3HD1 ILE 43 -6.633 1.112 -3.152 351 H GLN 44 H GLN 44 -7.641 6.346 -1.102 352 HA GLN 44 HA GLN 44 -9.346 7.466 -3.053 353 1HB GLN 44 2HB GLN 44 -8.952 8.258 -0.162 354 2HB GLN 44 1HB GLN 44 -10.281 8.792 -1.180 355 1HG GLN 44 2HG GLN 44 -11.022 6.455 -1.402 356 2HG GLN 44 1HG GLN 44 -9.705 5.959 -0.345 357 1HE2 GLN 44 1HE2 GLN 44 -9.834 6.345 1.823 358 2HE2 GLN 44 2HE2 GLN 44 -11.273 6.889 2.610 359 H GLU 45 H GLU 45 -6.365 8.566 -1.683 360 HA GLU 45 HA GLU 45 -6.814 11.324 -2.531 361 1HB GLU 45 2HB GLU 45 -4.439 10.068 -1.151 362 2HB GLU 45 1HB GLU 45 -4.643 11.784 -1.473 363 1HG GLU 45 2HG GLU 45 -6.572 11.857 -0.013 364 2HG GLU 45 1HG GLU 45 -6.439 10.121 0.272 365 H ARG 46 H ARG 46 -4.641 8.616 -3.262 366 HA ARG 46 HA ARG 46 -3.034 10.157 -5.046 367 1HB ARG 46 2HB ARG 46 -2.976 7.492 -3.906 368 2HB ARG 46 1HB ARG 46 -2.505 7.477 -5.601 369 1HG ARG 46 2HG ARG 46 -0.564 7.754 -4.201 370 2HG ARG 46 1HG ARG 46 -0.846 9.217 -5.144 371 1HD ARG 46 2HD ARG 46 -2.196 9.909 -2.977 372 2HD ARG 46 1HD ARG 46 -1.100 8.750 -2.223 373 HE ARG 46 HE ARG 46 -0.201 11.093 -3.777 374 1HH1 ARG 46 1HH1 ARG 46 0.203 8.865 -1.105 375 2HH1 ARG 46 2HH1 ARG 46 1.620 9.654 -0.502 376 1HH2 ARG 46 1HH2 ARG 46 1.650 12.131 -2.985 377 2HH2 ARG 46 2HH2 ARG 46 2.430 11.535 -1.544 378 H TYR 47 H TYR 47 -5.512 7.659 -5.569 379 HA TYR 47 HA TYR 47 -5.481 8.278 -8.428 380 1HB TYR 47 2HB TYR 47 -7.025 6.252 -6.809 381 2HB TYR 47 1HB TYR 47 -7.264 6.508 -8.532 382 HD1 TYR 47 1HD TYR 47 -5.089 5.136 -5.979 383 HD2 TYR 47 2HD TYR 47 -5.559 5.863 -10.139 384 HE1 TYR 47 1HE TYR 47 -3.289 3.556 -6.452 385 HE2 TYR 47 2HE TYR 47 -3.756 4.273 -10.629 386 HH TYR 47 HH TYR 47 -2.609 2.072 -8.481 387 H GLY 48 H GLY 48 -7.472 8.531 -5.589 388 1HA GLY 48 2HA GLY 48 -9.093 10.224 -5.222 389 2HA GLY 48 1HA GLY 48 -9.158 10.503 -6.959 390 H TYR 49 H TYR 49 -9.581 7.626 -4.923 391 HA TYR 49 HA TYR 49 -12.064 7.021 -6.353 392 1HB TYR 49 2HB TYR 49 -10.334 5.366 -4.515 393 2HB TYR 49 1HB TYR 49 -11.908 4.836 -5.089 394 HD1 TYR 49 1HD TYR 49 -12.062 5.265 -7.839 395 HD2 TYR 49 2HD TYR 49 -8.597 4.342 -5.553 396 HE1 TYR 49 1HE TYR 49 -11.023 4.259 -9.830 397 HE2 TYR 49 2HE TYR 49 -7.548 3.341 -7.535 398 HH TYR 49 HH TYR 49 -8.329 2.283 -9.680 399 H GLN 50 H GLN 50 -13.752 5.926 -4.859 400 HA GLN 50 HA GLN 50 -14.239 7.703 -2.595 401 1HB GLN 50 2HB GLN 50 -15.995 5.564 -3.826 402 2HB GLN 50 1HB GLN 50 -16.480 6.674 -2.553 403 1HG GLN 50 2HG GLN 50 -15.688 7.432 -5.356 404 2HG GLN 50 1HG GLN 50 -17.330 7.383 -4.716 405 1HE2 GLN 50 1HE2 GLN 50 -14.282 9.067 -4.676 406 2HE2 GLN 50 2HE2 GLN 50 -14.866 10.513 -3.931 407 H LYS 51 H LYS 51 -15.161 6.614 -0.591 408 HA LYS 51 HA LYS 51 -13.203 5.001 0.565 409 1HB LYS 51 2HB LYS 51 -14.685 6.398 1.904 410 2HB LYS 51 1HB LYS 51 -16.074 5.442 1.408 411 1HG LYS 51 2HG LYS 51 -15.117 3.493 2.561 412 2HG LYS 51 1HG LYS 51 -13.770 4.495 3.101 413 1HD LYS 51 2HD LYS 51 -15.193 5.850 4.427 414 2HD LYS 51 1HD LYS 51 -16.644 5.166 3.693 415 1HE LYS 51 2HE LYS 51 -16.275 4.275 5.939 416 2HE LYS 51 1HE LYS 51 -16.168 3.010 4.719 417 1HZ LYS 51 1HZ LYS 51 -13.790 4.387 5.844 418 2HZ LYS 51 2HZ LYS 51 -13.826 2.978 4.900 419 3HZ LYS 51 3HZ LYS 51 -14.421 2.947 6.480 420 H ASP 52 H ASP 52 -16.303 4.181 -0.887 421 HA ASP 52 HA ASP 52 -16.461 1.485 -0.169 422 1HB ASP 52 2HB ASP 52 -18.295 2.731 -1.232 423 2HB ASP 52 1HB ASP 52 -17.380 2.806 -2.728 424 H GLN 53 H GLN 53 -15.104 2.956 -3.077 425 HA GLN 53 HA GLN 53 -14.281 0.560 -4.299 426 1HB GLN 53 2HB GLN 53 -14.598 2.631 -5.541 427 2HB GLN 53 1HB GLN 53 -13.303 3.399 -4.637 428 1HG GLN 53 2HG GLN 53 -12.485 2.802 -6.798 429 2HG GLN 53 1HG GLN 53 -11.723 1.751 -5.604 430 1HE2 GLN 53 1HE2 GLN 53 -11.257 0.153 -7.072 431 2HE2 GLN 53 2HE2 GLN 53 -12.485 -0.859 -7.775 432 H ALA 54 H ALA 54 -12.576 2.912 -2.268 433 HA ALA 54 HA ALA 54 -10.009 1.812 -2.568 434 1HB ALA 54 1HB ALA 54 -10.426 4.081 -1.742 435 2HB ALA 54 2HB ALA 54 -9.384 3.162 -0.655 436 3HB ALA 54 3HB ALA 54 -11.083 3.407 -0.250 437 H GLU 55 H GLU 55 -12.458 1.295 -0.024 438 HA GLU 55 HA GLU 55 -10.863 -0.328 1.612 439 1HB GLU 55 2HB GLU 55 -13.862 -0.301 1.277 440 2HB GLU 55 1HB GLU 55 -13.017 -1.187 2.539 441 1HG GLU 55 2HG GLU 55 -12.067 0.954 3.338 442 2HG GLU 55 1HG GLU 55 -13.058 1.794 2.145 443 H LYS 56 H LYS 56 -12.990 -1.147 -1.088 444 HA LYS 56 HA LYS 56 -12.825 -3.935 -0.857 445 1HB LYS 56 2HB LYS 56 -13.241 -2.142 -3.242 446 2HB LYS 56 1HB LYS 56 -13.314 -3.895 -3.348 447 1HG LYS 56 2HG LYS 56 -15.197 -3.991 -1.907 448 2HG LYS 56 1HG LYS 56 -15.027 -2.288 -1.475 449 1HD LYS 56 2HD LYS 56 -15.592 -1.622 -3.726 450 2HD LYS 56 1HD LYS 56 -15.644 -3.309 -4.246 451 1HE LYS 56 2HE LYS 56 -17.558 -3.746 -2.915 452 2HE LYS 56 1HE LYS 56 -17.412 -2.202 -2.078 453 1HZ LYS 56 1HZ LYS 56 -17.936 -2.423 -4.990 454 2HZ LYS 56 2HZ LYS 56 -18.051 -1.037 -4.014 455 3HZ LYS 56 3HZ LYS 56 -19.165 -2.303 -3.827 456 H GLU 57 H GLU 57 -10.761 -1.651 -2.629 457 HA GLU 57 HA GLU 57 -9.097 -3.636 -3.781 458 1HB GLU 57 2HB GLU 57 -8.473 -0.730 -3.232 459 2HB GLU 57 1HB GLU 57 -7.614 -1.782 -4.350 460 1HG GLU 57 2HG GLU 57 -9.598 -1.973 -5.732 461 2HG GLU 57 1HG GLU 57 -10.505 -0.989 -4.587 462 H VAL 58 H VAL 58 -8.874 -1.700 -0.832 463 HA VAL 58 HA VAL 58 -6.273 -2.459 -0.081 464 HB VAL 58 HB VAL 58 -8.599 -1.637 1.666 465 1HG1 VAL 58 1HG1 VAL 58 -5.657 -1.747 2.335 466 2HG1 VAL 58 2HG1 VAL 58 -6.896 -2.830 2.969 467 3HG1 VAL 58 3HG1 VAL 58 -6.935 -1.115 3.374 468 1HG2 VAL 58 1HG2 VAL 58 -7.571 0.558 1.634 469 2HG2 VAL 58 2HG2 VAL 58 -7.916 0.022 -0.011 470 3HG2 VAL 58 3HG2 VAL 58 -6.268 -0.048 0.610 471 H VAL 59 H VAL 59 -9.421 -3.822 0.879 472 HA VAL 59 HA VAL 59 -8.332 -5.876 2.492 473 HB VAL 59 HB VAL 59 -11.052 -5.719 1.176 474 1HG1 VAL 59 1HG1 VAL 59 -10.550 -7.998 1.817 475 2HG1 VAL 59 2HG1 VAL 59 -11.759 -7.313 2.904 476 3HG1 VAL 59 3HG1 VAL 59 -10.084 -7.464 3.433 477 1HG2 VAL 59 1HG2 VAL 59 -10.154 -4.933 3.946 478 2HG2 VAL 59 2HG2 VAL 59 -11.820 -4.925 3.366 479 3HG2 VAL 59 3HG2 VAL 59 -10.631 -3.835 2.651 480 H ASP 60 H ASP 60 -9.136 -5.658 -0.932 481 HA ASP 60 HA ASP 60 -8.849 -8.409 -1.522 482 1HB ASP 60 2HB ASP 60 -9.804 -6.613 -3.064 483 2HB ASP 60 1HB ASP 60 -8.138 -6.158 -3.411 484 H TRP 61 H TRP 61 -6.533 -5.711 -1.897 485 HA TRP 61 HA TRP 61 -4.254 -7.204 -2.466 486 1HB TRP 61 2HB TRP 61 -4.308 -4.743 -2.567 487 2HB TRP 61 1HB TRP 61 -4.456 -4.668 -0.813 488 HD1 TRP 61 HD TRP 61 -1.931 -5.207 -3.583 489 HE1 TRP 61 1HE TRP 61 0.446 -5.202 -2.593 490 HE3 TRP 61 3HE TRP 61 -3.122 -5.214 1.380 491 HZ2 TRP 61 2HZ TRP 61 1.650 -5.207 -0.047 492 HZ3 TRP 61 3HZ TRP 61 -1.300 -5.216 3.031 493 HH2 TRP 61 HH TRP 61 1.037 -5.214 2.332 494 H GLU 62 H GLU 62 -5.761 -6.422 0.581 495 HA GLU 62 HA GLU 62 -3.780 -7.249 2.343 496 1HB GLU 62 2HB GLU 62 -5.695 -5.924 3.022 497 2HB GLU 62 1HB GLU 62 -6.785 -7.251 2.651 498 1HG GLU 62 2HG GLU 62 -6.198 -8.436 4.505 499 2HG GLU 62 1HG GLU 62 -4.615 -7.672 4.628 500 H THR 63 H THR 63 -6.355 -9.131 0.790 501 HA THR 63 HA THR 63 -5.647 -11.496 2.270 502 HB THR 63 HB THR 63 -7.971 -10.950 1.395 503 HG1 THR 63 1HG THR 63 -7.087 -13.521 0.562 504 1HG2 THR 63 1HG2 THR 63 -8.522 -11.690 -0.860 505 2HG2 THR 63 2HG2 THR 63 -6.820 -12.033 -1.172 506 3HG2 THR 63 3HG2 THR 63 -7.349 -10.373 -0.899 507 H ARG 64 H ARG 64 -4.592 -9.987 -0.633 508 HA ARG 64 HA ARG 64 -3.646 -12.341 -1.970 509 1HB ARG 64 2HB ARG 64 -2.729 -9.486 -2.303 510 2HB ARG 64 1HB ARG 64 -2.473 -10.798 -3.439 511 1HG ARG 64 2HG ARG 64 -5.163 -9.693 -2.685 512 2HG ARG 64 1HG ARG 64 -4.233 -9.196 -4.097 513 1HD ARG 64 2HD ARG 64 -4.315 -11.473 -4.960 514 2HD ARG 64 1HD ARG 64 -5.222 -11.984 -3.535 515 HE ARG 64 HE ARG 64 -6.749 -9.985 -4.481 516 1HH1 ARG 64 1HH1 ARG 64 -5.338 -12.779 -6.092 517 2HH1 ARG 64 2HH1 ARG 64 -6.578 -12.843 -7.304 518 1HH2 ARG 64 1HH2 ARG 64 -8.354 -10.084 -6.042 519 2HH2 ARG 64 2HH2 ARG 64 -8.320 -11.321 -7.265 520 H ASN 65 H ASN 65 -2.201 -9.890 0.104 521 HA ASN 65 HA ASN 65 0.396 -11.252 -0.072 522 1HB ASN 65 2HB ASN 65 -0.269 -8.422 0.743 523 2HB ASN 65 1HB ASN 65 1.352 -9.111 0.678 524 1HD2 ASN 65 1HD2 ASN 65 -1.432 -8.175 -1.225 525 2HD2 ASN 65 2HD2 ASN 65 -0.611 -8.103 -2.744 526 H GLU 66 H GLU 66 -1.817 -9.772 2.238 527 HA GLU 66 HA GLU 66 -2.616 -10.682 4.183 528 1HB GLU 66 2HB GLU 66 -0.357 -12.648 3.865 529 2HB GLU 66 1HB GLU 66 -1.386 -12.606 5.288 530 1HG GLU 66 2HG GLU 66 -3.321 -13.124 3.973 531 2HG GLU 66 1HG GLU 66 -2.392 -12.991 2.479 532 H TYR 67 H TYR 67 0.881 -10.220 3.955 533 HA TYR 67 HA TYR 67 1.140 -9.695 6.745 534 1HB TYR 67 2HB TYR 67 2.988 -10.589 5.324 535 2HB TYR 67 1HB TYR 67 3.104 -9.008 4.559 536 HD1 TYR 67 1HD TYR 67 3.863 -10.964 7.525 537 HD2 TYR 67 2HD TYR 67 3.896 -7.053 5.856 538 HE1 TYR 67 1HE TYR 67 5.371 -10.216 9.317 539 HE2 TYR 67 2HE TYR 67 5.412 -6.297 7.637 540 HH TYR 67 HH TYR 67 5.879 -7.100 10.104 541 H ARG 68 H ARG 68 -0.064 -8.024 7.432 542 HA ARG 68 HA ARG 68 0.983 -5.397 6.639 543 1HB ARG 68 2HB ARG 68 -1.437 -5.834 5.874 544 2HB ARG 68 1HB ARG 68 -1.860 -5.796 7.581 545 1HG ARG 68 2HG ARG 68 -0.754 -3.517 7.654 546 2HG ARG 68 1HG ARG 68 -0.742 -3.581 5.895 547 1HD ARG 68 2HD ARG 68 -3.170 -3.734 7.672 548 2HD ARG 68 1HD ARG 68 -2.669 -2.348 6.709 549 HE ARG 68 HE ARG 68 -4.128 -4.639 5.817 550 1HH1 ARG 68 1HH1 ARG 68 -1.776 -2.246 4.765 551 2HH1 ARG 68 2HH1 ARG 68 -2.267 -2.316 3.106 552 1HH2 ARG 68 1HH2 ARG 68 -4.791 -4.705 3.670 553 2HH2 ARG 68 2HH2 ARG 68 -3.995 -3.732 2.473 554 H TRP 69 H TRP 69 1.424 -7.544 8.725 555 HA TRP 69 HA TRP 69 1.089 -5.855 11.099 556 1HB TRP 69 2HB TRP 69 0.644 -8.824 10.811 557 2HB TRP 69 1HB TRP 69 0.916 -8.065 12.374 558 HD1 TRP 69 HD TRP 69 -1.049 -6.636 13.410 559 HE1 TRP 69 1HE TRP 69 -3.547 -6.408 12.837 560 HE3 TRP 69 3HE TRP 69 -1.015 -8.810 8.780 561 HZ2 TRP 69 2HZ TRP 69 -5.273 -7.061 10.695 562 HZ3 TRP 69 3HZ TRP 69 -3.134 -8.967 7.536 563 HH2 TRP 69 HH TRP 69 -5.216 -8.109 8.474 Start of MODEL 14 1 1H MET 1 1HT MET 1 -2.557 -9.189 20.242 2 2H MET 1 2HT MET 1 -2.127 -8.495 18.756 3 3H MET 1 3HT MET 1 -2.431 -7.503 20.095 4 HA MET 1 HA MET 1 -0.517 -8.409 21.239 5 1HB MET 1 2HB MET 1 -0.108 -9.908 18.639 6 2HB MET 1 1HB MET 1 1.080 -9.797 19.928 7 1HG MET 1 2HG MET 1 -0.411 -10.979 21.432 8 2HG MET 1 1HG MET 1 -1.647 -11.044 20.179 9 1HE MET 1 1HE MET 1 -0.676 -13.636 21.732 10 2HE MET 1 2HE MET 1 -0.526 -14.780 20.396 11 3HE MET 1 3HE MET 1 -1.883 -13.656 20.449 12 H ASN 2 H ASN 2 1.824 -7.826 20.537 13 HA ASN 2 HA ASN 2 1.738 -5.244 19.333 14 1HB ASN 2 2HB ASN 2 3.295 -5.830 21.169 15 2HB ASN 2 1HB ASN 2 4.128 -6.944 20.089 16 1HD2 ASN 2 1HD2 ASN 2 6.075 -5.890 20.233 17 2HD2 ASN 2 2HD2 ASN 2 6.354 -4.337 19.514 18 H LYS 3 H LYS 3 2.200 -4.657 17.281 19 HA LYS 3 HA LYS 3 2.270 -6.656 15.251 20 1HB LYS 3 2HB LYS 3 1.218 -4.341 15.084 21 2HB LYS 3 1HB LYS 3 2.851 -3.715 14.882 22 1HG LYS 3 2HG LYS 3 3.108 -5.238 12.924 23 2HG LYS 3 1HG LYS 3 1.398 -5.635 13.083 24 1HD LYS 3 2HD LYS 3 0.879 -3.215 12.820 25 2HD LYS 3 1HD LYS 3 2.590 -2.930 12.502 26 1HE LYS 3 2HE LYS 3 0.740 -4.687 10.892 27 2HE LYS 3 1HE LYS 3 1.341 -3.101 10.417 28 1HZ LYS 3 1HZ LYS 3 3.088 -5.458 10.932 29 2HZ LYS 3 2HZ LYS 3 3.549 -3.951 10.279 30 3HZ LYS 3 3HZ LYS 3 2.546 -4.981 9.399 31 H ASP 4 H ASP 4 3.945 -7.040 13.715 32 HA ASP 4 HA ASP 4 6.538 -7.148 14.886 33 1HB ASP 4 2HB ASP 4 5.560 -8.809 13.231 34 2HB ASP 4 1HB ASP 4 5.872 -7.616 11.975 35 H GLU 5 H GLU 5 8.506 -6.318 13.660 36 HA GLU 5 HA GLU 5 8.057 -3.450 13.385 37 1HB GLU 5 2HB GLU 5 9.708 -4.366 15.025 38 2HB GLU 5 1HB GLU 5 10.660 -4.957 13.672 39 1HG GLU 5 2HG GLU 5 11.533 -2.867 14.580 40 2HG GLU 5 1HG GLU 5 11.025 -2.697 12.901 41 H ALA 6 H ALA 6 8.657 -2.255 11.620 42 HA ALA 6 HA ALA 6 9.057 -3.764 9.155 43 1HB ALA 6 1HB ALA 6 7.246 -2.105 9.222 44 2HB ALA 6 2HB ALA 6 8.458 -1.692 8.009 45 3HB ALA 6 3HB ALA 6 8.425 -0.836 9.551 46 H GLY 7 H GLY 7 11.040 -4.057 8.409 47 1HA GLY 7 2HA GLY 7 12.946 -1.818 8.558 48 2HA GLY 7 1HA GLY 7 13.446 -3.399 9.148 49 H GLY 8 H GLY 8 13.923 -5.025 7.716 50 1HA GLY 8 2HA GLY 8 14.530 -4.185 5.013 51 2HA GLY 8 1HA GLY 8 14.884 -5.753 5.731 52 H ASN 9 H ASN 9 12.215 -6.194 6.670 53 HA ASN 9 HA ASN 9 10.997 -7.360 4.399 54 1HB ASN 9 2HB ASN 9 9.105 -7.828 5.910 55 2HB ASN 9 1HB ASN 9 10.640 -8.240 6.660 56 1HD2 ASN 9 1HD2 ASN 9 8.170 -7.759 8.000 57 2HD2 ASN 9 2HD2 ASN 9 8.413 -6.403 9.043 58 H TRP 10 H TRP 10 10.935 -4.207 5.713 59 HA TRP 10 HA TRP 10 8.435 -3.355 4.720 60 1HB TRP 10 2HB TRP 10 9.510 -2.047 6.433 61 2HB TRP 10 1HB TRP 10 10.922 -1.781 5.411 62 HD1 TRP 10 HD TRP 10 10.849 0.758 4.922 63 HE1 TRP 10 1HE TRP 10 9.109 2.359 3.896 64 HE3 TRP 10 3HE TRP 10 6.854 -2.426 4.695 65 HZ2 TRP 10 2HZ TRP 10 6.409 2.261 3.088 66 HZ3 TRP 10 3HZ TRP 10 4.733 -1.596 3.776 67 HH2 TRP 10 HH TRP 10 4.516 0.702 2.990 68 H LYS 11 H LYS 11 11.698 -3.372 3.303 69 HA LYS 11 HA LYS 11 11.053 -1.859 1.019 70 1HB LYS 11 2HB LYS 11 13.386 -2.458 1.729 71 2HB LYS 11 1HB LYS 11 13.092 -4.091 1.141 72 1HG LYS 11 2HG LYS 11 12.659 -3.178 -1.104 73 2HG LYS 11 1HG LYS 11 13.041 -1.566 -0.498 74 1HD LYS 11 2HD LYS 11 15.300 -2.350 0.086 75 2HD LYS 11 1HD LYS 11 14.909 -3.934 -0.590 76 1HE LYS 11 2HE LYS 11 14.443 -2.824 -2.768 77 2HE LYS 11 1HE LYS 11 14.998 -1.304 -2.068 78 1HZ LYS 11 1HZ LYS 11 17.162 -2.336 -1.684 79 2HZ LYS 11 2HZ LYS 11 16.749 -2.353 -3.328 80 3HZ LYS 11 3HZ LYS 11 16.619 -3.772 -2.406 81 H GLN 12 H GLN 12 10.577 -5.204 1.847 82 HA GLN 12 HA GLN 12 9.891 -6.221 -0.679 83 1HB GLN 12 2HB GLN 12 10.333 -7.606 1.332 84 2HB GLN 12 1HB GLN 12 8.824 -7.042 2.031 85 1HG GLN 12 2HG GLN 12 8.335 -9.153 1.168 86 2HG GLN 12 1HG GLN 12 7.685 -8.023 -0.016 87 1HE2 GLN 12 1HE2 GLN 12 10.108 -10.403 0.651 88 2HE2 GLN 12 2HE2 GLN 12 10.688 -10.564 -0.971 89 H PHE 13 H PHE 13 7.848 -4.848 1.917 90 HA PHE 13 HA PHE 13 5.494 -5.132 0.285 91 1HB PHE 13 2HB PHE 13 6.000 -4.151 3.056 92 2HB PHE 13 1HB PHE 13 4.455 -3.786 2.263 93 HD1 PHE 13 1HD PHE 13 2.771 -5.389 2.234 94 HD2 PHE 13 2HD PHE 13 6.804 -6.535 2.913 95 HE1 PHE 13 1HE PHE 13 2.067 -7.707 2.511 96 HE2 PHE 13 2HE PHE 13 6.115 -8.845 3.203 97 HZ PHE 13 HZ PHE 13 3.732 -9.466 3.014 98 H LYS 14 H LYS 14 7.751 -2.652 0.909 99 HA LYS 14 HA LYS 14 6.337 -0.475 -0.170 100 1HB LYS 14 2HB LYS 14 8.551 -0.139 0.759 101 2HB LYS 14 1HB LYS 14 9.262 -1.203 -0.436 102 1HG LYS 14 2HG LYS 14 8.500 0.434 -2.190 103 2HG LYS 14 1HG LYS 14 8.095 1.527 -0.865 104 1HD LYS 14 2HD LYS 14 10.825 0.335 -1.352 105 2HD LYS 14 1HD LYS 14 10.333 1.961 -1.828 106 1HE LYS 14 2HE LYS 14 10.292 0.933 1.004 107 2HE LYS 14 1HE LYS 14 11.617 1.859 0.305 108 1HZ LYS 14 1HZ LYS 14 10.183 3.315 1.524 109 2HZ LYS 14 2HZ LYS 14 8.823 2.787 0.665 110 3HZ LYS 14 3HZ LYS 14 10.035 3.667 -0.127 111 H GLY 15 H GLY 15 8.209 -3.052 -1.723 112 1HA GLY 15 2HA GLY 15 7.557 -2.364 -4.386 113 2HA GLY 15 1HA GLY 15 8.087 -3.947 -3.830 114 H LYS 16 H LYS 16 6.024 -4.611 -2.081 115 HA LYS 16 HA LYS 16 4.174 -5.745 -3.834 116 1HB LYS 16 2HB LYS 16 3.756 -5.238 -0.889 117 2HB LYS 16 1HB LYS 16 2.889 -6.401 -1.878 118 1HG LYS 16 2HG LYS 16 5.768 -6.471 -1.055 119 2HG LYS 16 1HG LYS 16 4.484 -7.592 -0.614 120 1HD LYS 16 2HD LYS 16 5.604 -7.196 -3.380 121 2HD LYS 16 1HD LYS 16 5.985 -8.535 -2.303 122 1HE LYS 16 2HE LYS 16 3.669 -9.267 -2.356 123 2HE LYS 16 1HE LYS 16 3.235 -7.885 -3.363 124 1HZ LYS 16 1HZ LYS 16 3.534 -9.938 -4.643 125 2HZ LYS 16 2HZ LYS 16 5.152 -10.013 -4.144 126 3HZ LYS 16 3HZ LYS 16 4.625 -8.721 -5.115 127 H VAL 17 H VAL 17 3.650 -3.036 -1.564 128 HA VAL 17 HA VAL 17 1.042 -2.434 -2.347 129 HB VAL 17 HB VAL 17 3.154 -0.493 -1.385 130 1HG1 VAL 17 1HG1 VAL 17 1.271 0.676 -2.432 131 2HG1 VAL 17 2HG1 VAL 17 1.281 0.920 -0.685 132 3HG1 VAL 17 3HG1 VAL 17 0.146 -0.218 -1.411 133 1HG2 VAL 17 1HG2 VAL 17 2.132 -0.827 0.820 134 2HG2 VAL 17 2HG2 VAL 17 2.770 -2.338 0.170 135 3HG2 VAL 17 3HG2 VAL 17 1.037 -2.024 0.126 136 H LYS 18 H LYS 18 4.110 -1.462 -3.827 137 HA LYS 18 HA LYS 18 2.832 0.273 -5.710 138 1HB LYS 18 2HB LYS 18 5.608 -0.903 -5.673 139 2HB LYS 18 1HB LYS 18 5.045 0.266 -6.862 140 1HG LYS 18 2HG LYS 18 4.521 1.809 -4.954 141 2HG LYS 18 1HG LYS 18 5.356 0.672 -3.898 142 1HD LYS 18 2HD LYS 18 6.939 2.334 -4.469 143 2HD LYS 18 1HD LYS 18 7.350 0.909 -5.426 144 1HE LYS 18 2HE LYS 18 6.073 1.895 -7.319 145 2HE LYS 18 1HE LYS 18 5.856 3.356 -6.355 146 1HZ LYS 18 1HZ LYS 18 7.711 3.613 -7.849 147 2HZ LYS 18 2HZ LYS 18 8.444 2.207 -7.251 148 3HZ LYS 18 3HZ LYS 18 8.287 3.569 -6.253 149 H GLU 19 H GLU 19 3.678 -3.150 -5.709 150 HA GLU 19 HA GLU 19 3.062 -3.556 -8.467 151 1HB GLU 19 2HB GLU 19 2.926 -5.517 -6.164 152 2HB GLU 19 1HB GLU 19 2.812 -5.947 -7.864 153 1HG GLU 19 2HG GLU 19 5.100 -4.956 -8.152 154 2HG GLU 19 1HG GLU 19 5.185 -4.842 -6.395 155 H GLN 20 H GLN 20 1.261 -3.694 -5.459 156 HA GLN 20 HA GLN 20 -1.256 -4.418 -6.364 157 1HB GLN 20 2HB GLN 20 -1.059 -4.290 -4.071 158 2HB GLN 20 1HB GLN 20 -0.219 -2.753 -4.114 159 1HG GLN 20 2HG GLN 20 -2.360 -2.436 -3.110 160 2HG GLN 20 1HG GLN 20 -2.352 -1.641 -4.679 161 1HE2 GLN 20 1HE2 GLN 20 -4.622 -1.660 -4.672 162 2HE2 GLN 20 2HE2 GLN 20 -5.508 -3.095 -5.001 163 H TRP 21 H TRP 21 -0.087 -1.055 -5.943 164 HA TRP 21 HA TRP 21 -2.067 -0.264 -7.967 165 1HB TRP 21 2HB TRP 21 -1.851 0.579 -5.190 166 2HB TRP 21 1HB TRP 21 -1.897 1.930 -6.309 167 HD1 TRP 21 HD TRP 21 -4.330 1.184 -4.317 168 HE1 TRP 21 1HE TRP 21 -6.672 0.765 -5.330 169 HE3 TRP 21 3HE TRP 21 -2.963 0.087 -9.134 170 HZ2 TRP 21 2HZ TRP 21 -7.765 0.060 -7.809 171 HZ3 TRP 21 3HZ TRP 21 -4.732 -0.445 -10.760 172 HH2 TRP 21 HH TRP 21 -7.084 -0.458 -10.109 173 H GLY 22 H GLY 22 0.769 1.137 -6.234 174 1HA GLY 22 2HA GLY 22 2.827 1.430 -7.409 175 2HA GLY 22 1HA GLY 22 1.925 1.521 -8.906 176 H LYS 23 H LYS 23 0.023 3.521 -7.752 177 HA LYS 23 HA LYS 23 1.474 5.838 -8.564 178 1HB LYS 23 2HB LYS 23 -1.259 5.191 -7.786 179 2HB LYS 23 1HB LYS 23 -0.759 6.774 -7.222 180 1HG LYS 23 2HG LYS 23 0.078 6.777 -9.827 181 2HG LYS 23 1HG LYS 23 -1.429 5.849 -9.886 182 1HD LYS 23 2HD LYS 23 -2.619 7.629 -8.765 183 2HD LYS 23 1HD LYS 23 -1.125 8.538 -8.554 184 1HE LYS 23 2HE LYS 23 -0.898 8.775 -10.952 185 2HE LYS 23 1HE LYS 23 -2.365 7.827 -11.203 186 1HZ LYS 23 1HZ LYS 23 -2.119 10.526 -9.999 187 2HZ LYS 23 2HZ LYS 23 -3.514 9.581 -9.824 188 3HZ LYS 23 3HZ LYS 23 -3.018 10.063 -11.365 189 H LEU 24 H LEU 24 0.589 4.432 -5.524 190 HA LEU 24 HA LEU 24 0.962 6.632 -3.857 191 1HB LEU 24 2HB LEU 24 1.022 3.670 -3.445 192 2HB LEU 24 1HB LEU 24 1.333 4.768 -2.114 193 HG LEU 24 HG LEU 24 -1.162 4.789 -3.810 194 1HD1 LEU 24 1HD1 LEU 24 -2.288 3.881 -1.852 195 2HD1 LEU 24 2HD1 LEU 24 -0.737 3.741 -1.025 196 3HD1 LEU 24 3HD1 LEU 24 -1.058 2.776 -2.465 197 1HD2 LEU 24 1HD2 LEU 24 -2.022 6.283 -2.054 198 2HD2 LEU 24 2HD2 LEU 24 -0.649 6.970 -2.921 199 3HD2 LEU 24 3HD2 LEU 24 -0.424 6.295 -1.308 200 H THR 25 H THR 25 2.644 7.318 -2.566 201 HA THR 25 HA THR 25 5.282 6.660 -3.695 202 HB THR 25 HB THR 25 5.825 9.085 -3.229 203 HG1 THR 25 1HG THR 25 4.345 10.175 -2.187 204 1HG2 THR 25 1HG2 THR 25 3.603 8.521 -5.201 205 2HG2 THR 25 2HG2 THR 25 5.327 8.291 -5.490 206 3HG2 THR 25 3HG2 THR 25 4.686 9.915 -5.241 207 H ASP 26 H ASP 26 6.934 8.056 -2.065 208 HA ASP 26 HA ASP 26 7.281 6.216 -0.003 209 1HB ASP 26 2HB ASP 26 9.110 7.538 -0.946 210 2HB ASP 26 1HB ASP 26 8.442 9.000 -0.229 211 H ASP 27 H ASP 27 5.735 9.426 0.134 212 HA ASP 27 HA ASP 27 5.471 9.576 2.929 213 1HB ASP 27 2HB ASP 27 4.914 11.503 1.563 214 2HB ASP 27 1HB ASP 27 3.603 10.618 0.795 215 H ASP 28 H ASP 28 3.480 8.019 0.490 216 HA ASP 28 HA ASP 28 1.288 7.217 2.039 217 1HB ASP 28 2HB ASP 28 1.139 6.827 -0.289 218 2HB ASP 28 1HB ASP 28 2.681 6.048 -0.358 219 H MET 29 H MET 29 4.091 5.456 1.042 220 HA MET 29 HA MET 29 3.356 3.086 2.277 221 1HB MET 29 2HB MET 29 6.200 3.690 1.635 222 2HB MET 29 1HB MET 29 5.253 2.264 1.302 223 1HG MET 29 2HG MET 29 3.960 3.776 -0.323 224 2HG MET 29 1HG MET 29 5.380 4.814 -0.204 225 1HE MET 29 1HE MET 29 3.788 1.656 -1.583 226 2HE MET 29 2HE MET 29 4.766 0.936 -0.303 227 3HE MET 29 3HE MET 29 5.150 0.611 -1.994 228 H THR 30 H THR 30 5.343 5.767 3.350 229 HA THR 30 HA THR 30 6.411 4.510 5.645 230 HB THR 30 HB THR 30 5.956 7.457 5.131 231 HG1 THR 30 1HG THR 30 7.416 6.992 3.642 232 1HG2 THR 30 1HG2 THR 30 6.363 6.957 7.505 233 2HG2 THR 30 2HG2 THR 30 7.727 7.811 6.781 234 3HG2 THR 30 3HG2 THR 30 7.824 6.073 7.063 235 H ILE 31 H ILE 31 3.343 6.163 5.034 236 HA ILE 31 HA ILE 31 2.713 6.247 7.875 237 HB ILE 31 HB ILE 31 0.643 6.751 5.768 238 1HG1 ILE 31 2HG1 ILE 31 2.823 8.704 6.569 239 2HG1 ILE 31 1HG1 ILE 31 2.520 8.054 4.969 240 1HG2 ILE 31 1HG2 ILE 31 1.190 8.000 8.460 241 2HG2 ILE 31 2HG2 ILE 31 0.017 6.723 8.135 242 3HG2 ILE 31 3HG2 ILE 31 -0.202 8.323 7.427 243 1HD1 ILE 31 1HD1 ILE 31 0.398 9.223 4.872 244 2HD1 ILE 31 2HD1 ILE 31 1.726 10.342 5.183 245 3HD1 ILE 31 3HD1 ILE 31 0.658 9.853 6.499 246 H ILE 32 H ILE 32 1.947 4.313 5.049 247 HA ILE 32 HA ILE 32 -0.279 2.995 6.303 248 HB ILE 32 HB ILE 32 1.061 2.671 3.631 249 1HG1 ILE 32 2HG1 ILE 32 -1.217 3.119 2.807 250 2HG1 ILE 32 1HG1 ILE 32 -1.801 3.186 4.463 251 1HG2 ILE 32 1HG2 ILE 32 -1.001 0.804 4.798 252 2HG2 ILE 32 2HG2 ILE 32 0.639 0.386 4.293 253 3HG2 ILE 32 3HG2 ILE 32 -0.561 0.878 3.093 254 1HD1 ILE 32 1HD1 ILE 32 0.119 5.090 3.156 255 2HD1 ILE 32 2HD1 ILE 32 -0.378 5.148 4.848 256 3HD1 ILE 32 3HD1 ILE 32 -1.568 5.396 3.569 257 H GLU 33 H GLU 33 2.772 1.641 4.986 258 HA GLU 33 HA GLU 33 4.155 -0.005 5.695 259 1HB GLU 33 2HB GLU 33 4.328 1.388 7.691 260 2HB GLU 33 1HB GLU 33 2.899 0.632 8.371 261 1HG GLU 33 2HG GLU 33 5.216 -1.086 7.688 262 2HG GLU 33 1HG GLU 33 5.318 -0.049 9.106 263 H GLY 34 H GLY 34 1.110 -0.522 7.491 264 1HA GLY 34 2HA GLY 34 0.451 -2.887 6.088 265 2HA GLY 34 1HA GLY 34 1.269 -3.301 7.589 266 H LYS 35 H LYS 35 -0.937 -0.611 6.947 267 HA LYS 35 HA LYS 35 -2.877 -1.891 8.753 268 1HB LYS 35 2HB LYS 35 -2.217 1.052 8.533 269 2HB LYS 35 1HB LYS 35 -3.612 0.423 9.393 270 1HG LYS 35 2HG LYS 35 -2.152 0.689 11.122 271 2HG LYS 35 1HG LYS 35 -1.789 -0.976 10.671 272 1HD LYS 35 2HD LYS 35 0.145 -0.285 9.446 273 2HD LYS 35 1HD LYS 35 -0.267 1.416 9.668 274 1HE LYS 35 2HE LYS 35 0.012 1.150 12.094 275 2HE LYS 35 1HE LYS 35 0.461 -0.536 11.848 276 1HZ LYS 35 1HZ LYS 35 1.942 1.807 10.770 277 2HZ LYS 35 2HZ LYS 35 2.380 0.172 10.590 278 3HZ LYS 35 3HZ LYS 35 2.397 0.892 12.121 279 H ARG 36 H ARG 36 -4.831 -2.177 7.957 280 HA ARG 36 HA ARG 36 -5.436 -1.790 5.264 281 1HB ARG 36 2HB ARG 36 -6.600 -3.495 6.419 282 2HB ARG 36 1HB ARG 36 -7.156 -2.389 7.664 283 1HG ARG 36 2HG ARG 36 -8.046 -1.907 4.867 284 2HG ARG 36 1HG ARG 36 -8.757 -3.257 5.754 285 1HD ARG 36 2HD ARG 36 -9.614 -1.829 7.430 286 2HD ARG 36 1HD ARG 36 -8.610 -0.482 6.899 287 HE ARG 36 HE ARG 36 -10.035 -0.248 4.984 288 1HH1 ARG 36 1HH1 ARG 36 -11.249 -2.487 7.386 289 2HH1 ARG 36 2HH1 ARG 36 -12.913 -2.196 6.984 290 1HH2 ARG 36 1HH2 ARG 36 -12.216 0.142 4.479 291 2HH2 ARG 36 2HH2 ARG 36 -13.465 -0.704 5.327 292 H ASP 37 H ASP 37 -6.529 0.078 8.091 293 HA ASP 37 HA ASP 37 -8.326 1.700 6.655 294 1HB ASP 37 2HB ASP 37 -8.250 1.321 9.166 295 2HB ASP 37 1HB ASP 37 -6.941 2.496 9.215 296 H GLN 38 H GLN 38 -4.920 1.976 7.302 297 HA GLN 38 HA GLN 38 -4.634 4.693 6.555 298 1HB GLN 38 2HB GLN 38 -2.709 2.409 6.854 299 2HB GLN 38 1HB GLN 38 -2.179 3.955 6.206 300 1HG GLN 38 2HG GLN 38 -3.516 3.598 8.878 301 2HG GLN 38 1HG GLN 38 -1.773 3.695 8.629 302 1HE2 GLN 38 1HE2 GLN 38 -1.603 5.555 9.883 303 2HE2 GLN 38 2HE2 GLN 38 -2.161 7.094 9.328 304 H LEU 39 H LEU 39 -4.191 1.648 4.752 305 HA LEU 39 HA LEU 39 -3.327 2.908 2.378 306 1HB LEU 39 2HB LEU 39 -2.982 0.507 2.797 307 2HB LEU 39 1HB LEU 39 -4.713 0.238 2.679 308 HG LEU 39 HG LEU 39 -4.642 0.996 0.314 309 1HD1 LEU 39 1HD1 LEU 39 -2.495 1.184 -0.818 310 2HD1 LEU 39 2HD1 LEU 39 -1.662 1.024 0.731 311 3HD1 LEU 39 3HD1 LEU 39 -2.688 2.427 0.422 312 1HD2 LEU 39 1HD2 LEU 39 -4.520 -1.372 0.786 313 2HD2 LEU 39 2HD2 LEU 39 -2.769 -1.263 0.983 314 3HD2 LEU 39 3HD2 LEU 39 -3.500 -0.962 -0.595 315 H VAL 40 H VAL 40 -6.529 2.114 3.633 316 HA VAL 40 HA VAL 40 -8.061 2.736 1.380 317 HB VAL 40 HB VAL 40 -8.721 3.228 4.296 318 1HG1 VAL 40 1HG1 VAL 40 -11.058 3.357 3.593 319 2HG1 VAL 40 2HG1 VAL 40 -10.565 3.219 1.905 320 3HG1 VAL 40 3HG1 VAL 40 -10.102 4.638 2.845 321 1HG2 VAL 40 1HG2 VAL 40 -10.029 1.179 4.101 322 2HG2 VAL 40 2HG2 VAL 40 -8.328 0.885 3.737 323 3HG2 VAL 40 3HG2 VAL 40 -9.506 0.998 2.428 324 H GLY 41 H GLY 41 -6.863 4.827 3.968 325 1HA GLY 41 2HA GLY 41 -7.876 7.263 3.083 326 2HA GLY 41 1HA GLY 41 -6.388 7.067 4.003 327 H LYS 42 H LYS 42 -4.698 5.845 2.372 328 HA LYS 42 HA LYS 42 -3.859 7.976 0.740 329 1HB LYS 42 2HB LYS 42 -2.858 5.297 1.441 330 2HB LYS 42 1HB LYS 42 -2.237 5.990 -0.052 331 1HG LYS 42 2HG LYS 42 -2.111 7.199 2.700 332 2HG LYS 42 1HG LYS 42 -0.769 6.539 1.764 333 1HD LYS 42 2HD LYS 42 -1.202 8.283 0.040 334 2HD LYS 42 1HD LYS 42 -2.403 8.987 1.125 335 1HE LYS 42 2HE LYS 42 -0.523 9.035 2.858 336 2HE LYS 42 1HE LYS 42 0.554 8.752 1.492 337 1HZ LYS 42 1HZ LYS 42 0.368 11.094 2.005 338 2HZ LYS 42 2HZ LYS 42 -1.315 11.041 1.771 339 3HZ LYS 42 3HZ LYS 42 -0.266 10.775 0.467 340 H ILE 43 H ILE 43 -5.148 4.762 -0.145 341 HA ILE 43 HA ILE 43 -4.837 5.027 -2.903 342 HB ILE 43 HB ILE 43 -6.989 3.568 -1.369 343 1HG1 ILE 43 2HG1 ILE 43 -4.474 2.625 -2.762 344 2HG1 ILE 43 1HG1 ILE 43 -4.680 2.781 -1.022 345 1HG2 ILE 43 1HG2 ILE 43 -7.779 4.068 -3.628 346 2HG2 ILE 43 2HG2 ILE 43 -7.456 2.347 -3.425 347 3HG2 ILE 43 3HG2 ILE 43 -6.308 3.362 -4.301 348 1HD1 ILE 43 1HD1 ILE 43 -4.893 0.476 -1.723 349 2HD1 ILE 43 2HD1 ILE 43 -6.200 0.913 -2.825 350 3HD1 ILE 43 3HD1 ILE 43 -6.423 1.073 -1.083 351 H GLN 44 H GLN 44 -7.448 6.239 -0.831 352 HA GLN 44 HA GLN 44 -9.062 7.313 -2.888 353 1HB GLN 44 2HB GLN 44 -8.680 8.293 -0.047 354 2HB GLN 44 1HB GLN 44 -9.965 8.809 -1.128 355 1HG GLN 44 2HG GLN 44 -10.886 6.574 -1.150 356 2HG GLN 44 1HG GLN 44 -9.545 5.991 -0.166 357 1HE2 GLN 44 1HE2 GLN 44 -9.459 6.501 1.989 358 2HE2 GLN 44 2HE2 GLN 44 -10.816 7.136 2.863 359 H GLU 45 H GLU 45 -6.362 8.601 -1.048 360 HA GLU 45 HA GLU 45 -6.553 11.295 -1.886 361 1HB GLU 45 2HB GLU 45 -4.221 9.705 -0.813 362 2HB GLU 45 1HB GLU 45 -4.134 11.424 -1.154 363 1HG GLU 45 2HG GLU 45 -5.843 11.862 0.510 364 2HG GLU 45 1HG GLU 45 -5.991 10.132 0.826 365 H ARG 46 H ARG 46 -4.469 8.656 -2.959 366 HA ARG 46 HA ARG 46 -2.969 10.359 -4.709 367 1HB ARG 46 2HB ARG 46 -2.247 8.226 -3.386 368 2HB ARG 46 1HB ARG 46 -2.882 7.359 -4.776 369 1HG ARG 46 2HG ARG 46 -0.579 7.586 -5.149 370 2HG ARG 46 1HG ARG 46 -1.349 8.784 -6.196 371 1HD ARG 46 2HD ARG 46 -0.976 10.427 -4.298 372 2HD ARG 46 1HD ARG 46 0.076 9.211 -3.591 373 HE ARG 46 HE ARG 46 1.017 9.500 -6.138 374 1HH1 ARG 46 1HH1 ARG 46 0.438 11.708 -3.485 375 2HH1 ARG 46 2HH1 ARG 46 1.731 12.774 -3.916 376 1HH2 ARG 46 1HH2 ARG 46 2.716 10.889 -6.717 377 2HH2 ARG 46 2HH2 ARG 46 3.049 12.302 -5.751 378 H TYR 47 H TYR 47 -5.428 7.866 -5.129 379 HA TYR 47 HA TYR 47 -5.072 7.978 -8.028 380 1HB TYR 47 2HB TYR 47 -6.735 6.079 -6.380 381 2HB TYR 47 1HB TYR 47 -6.332 5.907 -8.080 382 HD1 TYR 47 1HD TYR 47 -4.794 6.133 -4.710 383 HD2 TYR 47 2HD TYR 47 -4.420 4.694 -8.691 384 HE1 TYR 47 1HE TYR 47 -2.757 4.941 -4.067 385 HE2 TYR 47 2HE TYR 47 -2.369 3.490 -8.058 386 HH TYR 47 HH TYR 47 -1.389 3.096 -4.799 387 H GLY 48 H GLY 48 -7.293 8.957 -5.563 388 1HA GLY 48 2HA GLY 48 -9.006 10.533 -5.878 389 2HA GLY 48 1HA GLY 48 -8.957 10.210 -7.604 390 H TYR 49 H TYR 49 -9.114 7.585 -5.344 391 HA TYR 49 HA TYR 49 -11.680 6.778 -6.437 392 1HB TYR 49 2HB TYR 49 -9.880 5.440 -4.411 393 2HB TYR 49 1HB TYR 49 -11.349 4.736 -5.074 394 HD1 TYR 49 1HD TYR 49 -11.137 5.310 -7.929 395 HD2 TYR 49 2HD TYR 49 -8.121 4.179 -5.153 396 HE1 TYR 49 1HE TYR 49 -9.836 4.310 -9.763 397 HE2 TYR 49 2HE TYR 49 -6.819 3.159 -6.979 398 HH TYR 49 HH TYR 49 -7.201 2.234 -9.208 399 H GLN 50 H GLN 50 -13.421 6.061 -5.013 400 HA GLN 50 HA GLN 50 -13.753 7.813 -2.719 401 1HB GLN 50 2HB GLN 50 -15.613 5.924 -4.145 402 2HB GLN 50 1HB GLN 50 -16.051 6.724 -2.641 403 1HG GLN 50 2HG GLN 50 -15.335 8.066 -5.237 404 2HG GLN 50 1HG GLN 50 -16.946 7.928 -4.529 405 1HE2 GLN 50 1HE2 GLN 50 -13.858 9.501 -4.344 406 2HE2 GLN 50 2HE2 GLN 50 -14.332 10.749 -3.245 407 H LYS 51 H LYS 51 -14.611 6.903 -0.692 408 HA LYS 51 HA LYS 51 -12.800 5.152 0.457 409 1HB LYS 51 2HB LYS 51 -14.212 6.730 1.716 410 2HB LYS 51 1HB LYS 51 -15.622 5.745 1.360 411 1HG LYS 51 2HG LYS 51 -14.494 3.864 2.587 412 2HG LYS 51 1HG LYS 51 -13.272 5.034 3.099 413 1HD LYS 51 2HD LYS 51 -14.918 4.846 4.836 414 2HD LYS 51 1HD LYS 51 -15.098 6.422 4.064 415 1HE LYS 51 2HE LYS 51 -17.294 5.652 4.266 416 2HE LYS 51 1HE LYS 51 -16.867 5.283 2.597 417 1HZ LYS 51 1HZ LYS 51 -16.847 3.366 4.867 418 2HZ LYS 51 2HZ LYS 51 -16.384 2.998 3.276 419 3HZ LYS 51 3HZ LYS 51 -17.992 3.420 3.617 420 H ASP 52 H ASP 52 -16.023 4.516 -0.824 421 HA ASP 52 HA ASP 52 -16.383 1.896 0.009 422 1HB ASP 52 2HB ASP 52 -18.100 3.288 -1.116 423 2HB ASP 52 1HB ASP 52 -17.234 3.107 -2.630 424 H GLN 53 H GLN 53 -15.037 3.038 -3.067 425 HA GLN 53 HA GLN 53 -14.370 0.469 -4.032 426 1HB GLN 53 2HB GLN 53 -14.666 2.472 -5.465 427 2HB GLN 53 1HB GLN 53 -13.185 3.135 -4.796 428 1HG GLN 53 2HG GLN 53 -11.923 1.239 -5.687 429 2HG GLN 53 1HG GLN 53 -13.409 0.569 -6.355 430 1HE2 GLN 53 1HE2 GLN 53 -10.967 1.316 -7.695 431 2HE2 GLN 53 2HE2 GLN 53 -11.425 2.488 -8.888 432 H ALA 54 H ALA 54 -12.539 2.974 -2.338 433 HA ALA 54 HA ALA 54 -10.004 1.824 -2.489 434 1HB ALA 54 1HB ALA 54 -10.393 4.119 -1.749 435 2HB ALA 54 2HB ALA 54 -9.429 3.221 -0.577 436 3HB ALA 54 3HB ALA 54 -11.140 3.516 -0.269 437 H GLU 55 H GLU 55 -12.525 1.433 0.007 438 HA GLU 55 HA GLU 55 -11.138 -0.224 1.755 439 1HB GLU 55 2HB GLU 55 -14.077 -0.229 1.039 440 2HB GLU 55 1HB GLU 55 -13.394 -1.100 2.404 441 1HG GLU 55 2HG GLU 55 -12.669 0.990 3.401 442 2HG GLU 55 1HG GLU 55 -13.294 1.884 2.014 443 H LYS 56 H LYS 56 -13.130 -1.087 -1.041 444 HA LYS 56 HA LYS 56 -12.856 -3.878 -0.764 445 1HB LYS 56 2HB LYS 56 -13.522 -2.174 -3.166 446 2HB LYS 56 1HB LYS 56 -13.646 -3.932 -3.139 447 1HG LYS 56 2HG LYS 56 -15.366 -3.896 -1.541 448 2HG LYS 56 1HG LYS 56 -15.069 -2.205 -1.142 449 1HD LYS 56 2HD LYS 56 -15.890 -1.522 -3.329 450 2HD LYS 56 1HD LYS 56 -16.125 -3.213 -3.786 451 1HE LYS 56 2HE LYS 56 -17.847 -3.501 -2.187 452 2HE LYS 56 1HE LYS 56 -17.463 -1.977 -1.391 453 1HZ LYS 56 1HZ LYS 56 -19.468 -1.877 -2.789 454 2HZ LYS 56 2HZ LYS 56 -18.524 -2.202 -4.162 455 3HZ LYS 56 3HZ LYS 56 -18.277 -0.772 -3.276 456 H GLU 57 H GLU 57 -10.908 -1.486 -2.474 457 HA GLU 57 HA GLU 57 -9.245 -3.416 -3.765 458 1HB GLU 57 2HB GLU 57 -8.803 -0.483 -3.209 459 2HB GLU 57 1HB GLU 57 -7.762 -1.473 -4.224 460 1HG GLU 57 2HG GLU 57 -9.631 -1.898 -5.733 461 2HG GLU 57 1HG GLU 57 -10.676 -0.923 -4.709 462 H VAL 58 H VAL 58 -9.040 -1.601 -0.743 463 HA VAL 58 HA VAL 58 -6.404 -2.380 -0.091 464 HB VAL 58 HB VAL 58 -8.671 -1.567 1.733 465 1HG1 VAL 58 1HG1 VAL 58 -7.032 -2.856 2.979 466 2HG1 VAL 58 2HG1 VAL 58 -6.911 -1.149 3.408 467 3HG1 VAL 58 3HG1 VAL 58 -5.726 -1.873 2.320 468 1HG2 VAL 58 1HG2 VAL 58 -7.517 0.588 1.778 469 2HG2 VAL 58 2HG2 VAL 58 -7.991 0.149 0.137 470 3HG2 VAL 58 3HG2 VAL 58 -6.312 -0.030 0.648 471 H VAL 59 H VAL 59 -9.553 -3.774 0.851 472 HA VAL 59 HA VAL 59 -8.559 -5.913 2.348 473 HB VAL 59 HB VAL 59 -11.064 -5.839 0.651 474 1HG1 VAL 59 1HG1 VAL 59 -10.453 -8.127 1.203 475 2HG1 VAL 59 2HG1 VAL 59 -11.877 -7.633 2.118 476 3HG1 VAL 59 3HG1 VAL 59 -10.299 -7.692 2.905 477 1HG2 VAL 59 1HG2 VAL 59 -10.676 -5.272 3.588 478 2HG2 VAL 59 2HG2 VAL 59 -12.211 -5.249 2.719 479 3HG2 VAL 59 3HG2 VAL 59 -10.962 -4.062 2.338 480 H ASP 60 H ASP 60 -9.034 -5.552 -1.135 481 HA ASP 60 HA ASP 60 -8.392 -8.190 -1.881 482 1HB ASP 60 2HB ASP 60 -9.420 -6.582 -3.431 483 2HB ASP 60 1HB ASP 60 -7.949 -5.617 -3.416 484 H TRP 61 H TRP 61 -6.338 -5.280 -1.700 485 HA TRP 61 HA TRP 61 -3.859 -6.460 -2.167 486 1HB TRP 61 2HB TRP 61 -4.034 -4.071 -2.033 487 2HB TRP 61 1HB TRP 61 -4.671 -4.147 -0.396 488 HD1 TRP 61 HD TRP 61 -1.376 -4.511 -2.330 489 HE1 TRP 61 1HE TRP 61 0.577 -4.188 -0.691 490 HE3 TRP 61 3HE TRP 61 -4.015 -4.268 2.035 491 HZ2 TRP 61 2HZ TRP 61 0.953 -3.878 2.086 492 HZ3 TRP 61 3HZ TRP 61 -2.784 -3.958 4.141 493 HH2 TRP 61 HH TRP 61 -0.348 -3.767 4.165 494 H GLU 62 H GLU 62 -5.684 -6.116 0.797 495 HA GLU 62 HA GLU 62 -3.746 -7.124 2.561 496 1HB GLU 62 2HB GLU 62 -5.514 -5.715 3.363 497 2HB GLU 62 1HB GLU 62 -6.741 -6.830 2.782 498 1HG GLU 62 2HG GLU 62 -6.335 -8.354 4.464 499 2HG GLU 62 1HG GLU 62 -4.753 -7.674 4.840 500 H THR 63 H THR 63 -6.346 -8.714 0.754 501 HA THR 63 HA THR 63 -5.928 -11.210 2.132 502 HB THR 63 HB THR 63 -8.158 -10.472 1.213 503 HG1 THR 63 1HG THR 63 -7.089 -13.003 0.440 504 1HG2 THR 63 1HG2 THR 63 -6.921 -11.304 -1.409 505 2HG2 THR 63 2HG2 THR 63 -7.429 -9.672 -0.973 506 3HG2 THR 63 3HG2 THR 63 -8.628 -10.955 -1.148 507 H ARG 64 H ARG 64 -4.455 -9.644 -0.515 508 HA ARG 64 HA ARG 64 -3.537 -12.113 -1.747 509 1HB ARG 64 2HB ARG 64 -2.958 -9.216 -2.351 510 2HB ARG 64 1HB ARG 64 -2.265 -10.559 -3.251 511 1HG ARG 64 2HG ARG 64 -4.529 -11.274 -3.870 512 2HG ARG 64 1HG ARG 64 -5.186 -9.877 -3.016 513 1HD ARG 64 2HD ARG 64 -3.824 -8.418 -4.505 514 2HD ARG 64 1HD ARG 64 -3.358 -9.855 -5.413 515 HE ARG 64 HE ARG 64 -6.168 -8.983 -5.142 516 1HH1 ARG 64 1HH1 ARG 64 -3.482 -10.139 -7.075 517 2HH1 ARG 64 2HH1 ARG 64 -4.414 -10.258 -8.533 518 1HH2 ARG 64 1HH2 ARG 64 -7.396 -9.132 -7.055 519 2HH2 ARG 64 2HH2 ARG 64 -6.643 -9.661 -8.526 520 H ASN 65 H ASN 65 -2.225 -9.456 0.168 521 HA ASN 65 HA ASN 65 0.412 -10.712 0.180 522 1HB ASN 65 2HB ASN 65 -0.543 -8.067 1.300 523 2HB ASN 65 1HB ASN 65 1.123 -8.641 1.359 524 1HD2 ASN 65 1HD2 ASN 65 -1.449 -7.507 -0.705 525 2HD2 ASN 65 2HD2 ASN 65 -0.463 -7.173 -2.085 526 H GLU 66 H GLU 66 -1.963 -9.500 2.518 527 HA GLU 66 HA GLU 66 -2.904 -10.553 4.301 528 1HB GLU 66 2HB GLU 66 -0.948 -12.760 3.679 529 2HB GLU 66 1HB GLU 66 -2.102 -12.829 5.006 530 1HG GLU 66 2HG GLU 66 -3.937 -12.584 3.389 531 2HG GLU 66 1HG GLU 66 -2.758 -12.590 2.077 532 H TYR 67 H TYR 67 0.090 -9.315 4.098 533 HA TYR 67 HA TYR 67 0.849 -9.897 6.843 534 1HB TYR 67 2HB TYR 67 2.500 -9.840 4.920 535 2HB TYR 67 1HB TYR 67 2.278 -8.096 4.894 536 HD1 TYR 67 1HD TYR 67 3.699 -10.923 6.726 537 HD2 TYR 67 2HD TYR 67 3.183 -6.697 6.676 538 HE1 TYR 67 1HE TYR 67 5.448 -10.693 8.438 539 HE2 TYR 67 2HE TYR 67 4.926 -6.459 8.392 540 HH TYR 67 HH TYR 67 5.911 -7.948 10.229 541 H ARG 68 H ARG 68 -0.978 -8.827 7.796 542 HA ARG 68 HA ARG 68 -0.663 -5.900 7.879 543 1HB ARG 68 2HB ARG 68 -2.978 -6.988 7.493 544 2HB ARG 68 1HB ARG 68 -2.899 -7.450 9.188 545 1HG ARG 68 2HG ARG 68 -2.349 -4.865 9.466 546 2HG ARG 68 1HG ARG 68 -3.263 -4.779 7.962 547 1HD ARG 68 2HD ARG 68 -4.231 -6.085 10.498 548 2HD ARG 68 1HD ARG 68 -4.651 -4.454 9.985 549 HE ARG 68 HE ARG 68 -5.449 -5.881 7.866 550 1HH1 ARG 68 1HH1 ARG 68 -5.931 -6.346 11.315 551 2HH1 ARG 68 2HH1 ARG 68 -7.458 -7.164 11.118 552 1HH2 ARG 68 1HH2 ARG 68 -7.466 -6.923 7.607 553 2HH2 ARG 68 2HH2 ARG 68 -8.322 -7.502 9.012 554 H TRP 69 H TRP 69 0.740 -8.371 9.177 555 HA TRP 69 HA TRP 69 0.727 -7.349 11.933 556 1HB TRP 69 2HB TRP 69 -0.460 -9.615 11.487 557 2HB TRP 69 1HB TRP 69 1.164 -10.252 11.255 558 HD1 TRP 69 HD TRP 69 -1.165 -8.897 13.954 559 HE1 TRP 69 1HE TRP 69 -0.219 -9.521 16.261 560 HE3 TRP 69 3HE TRP 69 3.363 -10.774 12.489 561 HZ2 TRP 69 2HZ TRP 69 2.137 -10.656 17.320 562 HZ3 TRP 69 3HZ TRP 69 4.902 -11.608 14.217 563 HH2 TRP 69 HH TRP 69 4.303 -11.550 16.580 Start of MODEL 15 1 1H MET 1 1HT MET 1 -3.376 -9.878 18.089 2 2H MET 1 2HT MET 1 -3.835 -8.252 18.239 3 3H MET 1 3HT MET 1 -2.429 -8.806 19.004 4 HA MET 1 HA MET 1 -1.479 -9.321 16.802 5 1HB MET 1 2HB MET 1 -3.892 -7.747 15.872 6 2HB MET 1 1HB MET 1 -2.541 -8.226 14.854 7 1HG MET 1 2HG MET 1 -3.084 -10.574 15.239 8 2HG MET 1 1HG MET 1 -4.435 -10.094 16.263 9 1HE MET 1 1HE MET 1 -6.253 -11.479 13.097 10 2HE MET 1 2HE MET 1 -6.129 -11.549 14.855 11 3HE MET 1 3HE MET 1 -4.785 -12.097 13.855 12 H ASN 2 H ASN 2 0.230 -8.134 17.190 13 HA ASN 2 HA ASN 2 -0.054 -5.303 17.858 14 1HB ASN 2 2HB ASN 2 1.207 -6.643 19.462 15 2HB ASN 2 1HB ASN 2 2.264 -7.224 18.181 16 1HD2 ASN 2 1HD2 ASN 2 4.155 -6.458 18.950 17 2HD2 ASN 2 2HD2 ASN 2 4.523 -4.769 19.120 18 H LYS 3 H LYS 3 0.677 -3.727 16.481 19 HA LYS 3 HA LYS 3 1.603 -4.270 13.882 20 1HB LYS 3 2HB LYS 3 0.677 -2.090 14.451 21 2HB LYS 3 1HB LYS 3 1.957 -1.812 15.617 22 1HG LYS 3 2HG LYS 3 2.578 -0.514 13.800 23 2HG LYS 3 1HG LYS 3 3.555 -1.969 13.613 24 1HD LYS 3 2HD LYS 3 0.902 -1.814 12.254 25 2HD LYS 3 1HD LYS 3 2.263 -0.925 11.573 26 1HE LYS 3 2HE LYS 3 2.266 -3.881 12.178 27 2HE LYS 3 1HE LYS 3 1.939 -3.182 10.592 28 1HZ LYS 3 1HZ LYS 3 4.260 -3.925 10.859 29 2HZ LYS 3 2HZ LYS 3 4.474 -2.807 12.112 30 3HZ LYS 3 3HZ LYS 3 4.153 -2.258 10.538 31 H ASP 4 H ASP 4 3.449 -5.205 13.355 32 HA ASP 4 HA ASP 4 5.445 -5.669 15.338 33 1HB ASP 4 2HB ASP 4 6.431 -7.146 13.781 34 2HB ASP 4 1HB ASP 4 4.699 -7.271 13.485 35 H GLU 5 H GLU 5 7.655 -5.114 15.213 36 HA GLU 5 HA GLU 5 8.307 -2.536 14.268 37 1HB GLU 5 2HB GLU 5 9.499 -3.730 16.110 38 2HB GLU 5 1HB GLU 5 10.172 -4.830 14.917 39 1HG GLU 5 2HG GLU 5 11.351 -2.998 13.857 40 2HG GLU 5 1HG GLU 5 10.639 -1.859 15.000 41 H ALA 6 H ALA 6 8.544 -1.948 12.244 42 HA ALA 6 HA ALA 6 8.389 -3.770 10.114 43 1HB ALA 6 1HB ALA 6 9.165 -0.865 10.010 44 2HB ALA 6 2HB ALA 6 7.515 -1.488 10.013 45 3HB ALA 6 3HB ALA 6 8.594 -1.851 8.665 46 H GLY 7 H GLY 7 10.098 -5.208 10.385 47 1HA GLY 7 2HA GLY 7 12.640 -4.184 9.276 48 2HA GLY 7 1HA GLY 7 12.592 -5.438 10.513 49 H GLY 8 H GLY 8 10.906 -4.786 7.478 50 1HA GLY 8 2HA GLY 8 11.807 -6.711 5.830 51 2HA GLY 8 1HA GLY 8 10.732 -7.610 6.894 52 H ASN 9 H ASN 9 8.605 -6.104 7.299 53 HA ASN 9 HA ASN 9 7.227 -6.159 4.834 54 1HB ASN 9 2HB ASN 9 5.345 -5.109 6.057 55 2HB ASN 9 1HB ASN 9 6.004 -6.506 6.897 56 1HD2 ASN 9 1HD2 ASN 9 6.901 -6.259 8.883 57 2HD2 ASN 9 2HD2 ASN 9 6.872 -4.771 9.763 58 H TRP 10 H TRP 10 8.855 -3.653 6.588 59 HA TRP 10 HA TRP 10 7.783 -1.361 5.450 60 1HB TRP 10 2HB TRP 10 9.324 -1.466 7.401 61 2HB TRP 10 1HB TRP 10 10.642 -1.850 6.307 62 HD1 TRP 10 HD TRP 10 11.369 0.175 4.566 63 HE1 TRP 10 1HE TRP 10 11.346 2.722 4.951 64 HE3 TRP 10 3HE TRP 10 8.140 0.354 8.517 65 HZ2 TRP 10 2HZ TRP 10 10.111 4.558 6.714 66 HZ3 TRP 10 3HZ TRP 10 7.592 2.537 9.501 67 HH2 TRP 10 HH TRP 10 8.561 4.593 8.617 68 H LYS 11 H LYS 11 10.624 -3.247 4.430 69 HA LYS 11 HA LYS 11 10.998 -1.599 2.093 70 1HB LYS 11 2HB LYS 11 12.914 -2.523 3.314 71 2HB LYS 11 1HB LYS 11 12.370 -4.154 2.951 72 1HG LYS 11 2HG LYS 11 12.723 -3.761 0.576 73 2HG LYS 11 1HG LYS 11 13.241 -2.107 0.922 74 1HD LYS 11 2HD LYS 11 15.082 -3.006 2.297 75 2HD LYS 11 1HD LYS 11 14.582 -4.641 1.860 76 1HE LYS 11 2HE LYS 11 15.004 -4.150 -0.492 77 2HE LYS 11 1HE LYS 11 15.469 -2.502 -0.075 78 1HZ LYS 11 1HZ LYS 11 16.858 -4.971 0.818 79 2HZ LYS 11 2HZ LYS 11 17.304 -3.386 1.225 80 3HZ LYS 11 3HZ LYS 11 17.405 -3.906 -0.384 81 H GLN 12 H GLN 12 9.859 -4.891 2.754 82 HA GLN 12 HA GLN 12 9.870 -5.697 0.033 83 1HB GLN 12 2HB GLN 12 10.020 -7.268 1.937 84 2HB GLN 12 1HB GLN 12 8.348 -6.907 2.341 85 1HG GLN 12 2HG GLN 12 7.618 -7.812 0.210 86 2HG GLN 12 1HG GLN 12 9.291 -8.138 -0.239 87 1HE2 GLN 12 1HE2 GLN 12 6.613 -9.101 1.732 88 2HE2 GLN 12 2HE2 GLN 12 7.258 -10.625 2.223 89 H PHE 13 H PHE 13 7.322 -4.398 2.141 90 HA PHE 13 HA PHE 13 5.355 -4.947 0.094 91 1HB PHE 13 2HB PHE 13 5.136 -3.819 2.868 92 2HB PHE 13 1HB PHE 13 3.763 -3.853 1.752 93 HD1 PHE 13 1HD PHE 13 2.548 -5.841 1.405 94 HD2 PHE 13 2HD PHE 13 6.319 -5.935 3.349 95 HE1 PHE 13 1HE PHE 13 2.259 -8.207 1.859 96 HE2 PHE 13 2HE PHE 13 6.027 -8.298 3.828 97 HZ PHE 13 HZ PHE 13 3.983 -9.471 3.090 98 H LYS 14 H LYS 14 7.422 -2.415 0.905 99 HA LYS 14 HA LYS 14 6.043 -0.314 -0.376 100 1HB LYS 14 2HB LYS 14 8.963 -0.945 -0.080 101 2HB LYS 14 1HB LYS 14 8.461 0.362 -1.142 102 1HG LYS 14 2HG LYS 14 7.216 1.332 0.811 103 2HG LYS 14 1HG LYS 14 8.002 0.118 1.820 104 1HD LYS 14 2HD LYS 14 9.274 2.132 1.981 105 2HD LYS 14 1HD LYS 14 10.204 0.994 1.004 106 1HE LYS 14 2HE LYS 14 9.454 2.103 -1.029 107 2HE LYS 14 1HE LYS 14 8.460 3.207 -0.080 108 1HZ LYS 14 1HZ LYS 14 10.527 3.982 1.005 109 2HZ LYS 14 2HZ LYS 14 10.490 4.304 -0.659 110 3HZ LYS 14 3HZ LYS 14 11.425 3.016 -0.062 111 H GLY 15 H GLY 15 8.012 -2.967 -1.625 112 1HA GLY 15 2HA GLY 15 7.634 -2.313 -4.368 113 2HA GLY 15 1HA GLY 15 8.153 -3.870 -3.737 114 H LYS 16 H LYS 16 5.996 -4.592 -2.176 115 HA LYS 16 HA LYS 16 4.317 -5.694 -4.143 116 1HB LYS 16 2HB LYS 16 4.414 -5.757 -1.191 117 2HB LYS 16 1HB LYS 16 2.860 -6.135 -1.919 118 1HG LYS 16 2HG LYS 16 4.106 -8.161 -1.544 119 2HG LYS 16 1HG LYS 16 3.941 -7.876 -3.278 120 1HD LYS 16 2HD LYS 16 6.247 -6.773 -3.121 121 2HD LYS 16 1HD LYS 16 6.369 -7.542 -1.539 122 1HE LYS 16 2HE LYS 16 7.424 -8.916 -3.250 123 2HE LYS 16 1HE LYS 16 6.006 -9.732 -2.584 124 1HZ LYS 16 1HZ LYS 16 4.741 -9.067 -4.505 125 2HZ LYS 16 2HZ LYS 16 6.126 -9.889 -5.018 126 3HZ LYS 16 3HZ LYS 16 6.048 -8.192 -5.132 127 H VAL 17 H VAL 17 3.627 -3.102 -1.777 128 HA VAL 17 HA VAL 17 0.992 -2.650 -2.681 129 HB VAL 17 HB VAL 17 2.883 -0.697 -1.350 130 1HG1 VAL 17 1HG1 VAL 17 1.088 0.492 -2.463 131 2HG1 VAL 17 2HG1 VAL 17 0.842 0.527 -0.716 132 3HG1 VAL 17 3HG1 VAL 17 -0.109 -0.569 -1.718 133 1HG2 VAL 17 1HG2 VAL 17 2.461 -2.690 0.003 134 2HG2 VAL 17 2HG2 VAL 17 0.722 -2.458 -0.183 135 3HG2 VAL 17 3HG2 VAL 17 1.678 -1.273 0.707 136 H LYS 18 H LYS 18 4.102 -1.376 -3.820 137 HA LYS 18 HA LYS 18 2.909 0.463 -5.645 138 1HB LYS 18 2HB LYS 18 5.687 -0.688 -5.472 139 2HB LYS 18 1HB LYS 18 5.208 0.452 -6.722 140 1HG LYS 18 2HG LYS 18 4.979 0.993 -3.771 141 2HG LYS 18 1HG LYS 18 6.348 1.484 -4.759 142 1HD LYS 18 2HD LYS 18 3.526 2.291 -5.403 143 2HD LYS 18 1HD LYS 18 4.556 3.231 -4.321 144 1HE LYS 18 2HE LYS 18 5.208 2.530 -7.180 145 2HE LYS 18 1HE LYS 18 4.588 4.083 -6.625 146 1HZ LYS 18 1HZ LYS 18 6.981 4.145 -6.901 147 2HZ LYS 18 2HZ LYS 18 7.174 2.864 -5.808 148 3HZ LYS 18 3HZ LYS 18 6.570 4.356 -5.271 149 H GLU 19 H GLU 19 3.814 -2.931 -5.852 150 HA GLU 19 HA GLU 19 3.271 -3.291 -8.610 151 1HB GLU 19 2HB GLU 19 2.921 -5.181 -6.270 152 2HB GLU 19 1HB GLU 19 2.754 -5.661 -7.951 153 1HG GLU 19 2HG GLU 19 5.068 -5.175 -8.371 154 2HG GLU 19 1HG GLU 19 5.261 -4.524 -6.742 155 H GLN 20 H GLN 20 1.300 -3.559 -5.724 156 HA GLN 20 HA GLN 20 -1.173 -4.218 -6.708 157 1HB GLN 20 2HB GLN 20 -0.933 -4.180 -4.402 158 2HB GLN 20 1HB GLN 20 -0.206 -2.593 -4.392 159 1HG GLN 20 2HG GLN 20 -2.395 -2.568 -3.364 160 2HG GLN 20 1HG GLN 20 -2.356 -1.576 -4.807 161 1HE2 GLN 20 1HE2 GLN 20 -4.594 -1.636 -4.917 162 2HE2 GLN 20 2HE2 GLN 20 -5.435 -3.028 -5.478 163 H TRP 21 H TRP 21 -0.061 -0.872 -6.104 164 HA TRP 21 HA TRP 21 -2.046 -0.038 -8.098 165 1HB TRP 21 2HB TRP 21 -1.776 0.741 -5.306 166 2HB TRP 21 1HB TRP 21 -1.880 2.119 -6.386 167 HD1 TRP 21 HD TRP 21 -4.243 1.486 -4.392 168 HE1 TRP 21 1HE TRP 21 -6.605 0.951 -5.304 169 HE3 TRP 21 3HE TRP 21 -2.987 -0.001 -9.136 170 HZ2 TRP 21 2HZ TRP 21 -7.752 0.015 -7.689 171 HZ3 TRP 21 3HZ TRP 21 -4.782 -0.704 -10.662 172 HH2 TRP 21 HH TRP 21 -7.117 -0.696 -9.949 173 H GLY 22 H GLY 22 0.820 1.274 -6.377 174 1HA GLY 22 2HA GLY 22 2.810 1.919 -7.456 175 2HA GLY 22 1HA GLY 22 1.972 1.821 -8.997 176 H LYS 23 H LYS 23 -0.254 3.492 -8.050 177 HA LYS 23 HA LYS 23 0.795 6.061 -8.668 178 1HB LYS 23 2HB LYS 23 -1.773 4.849 -8.363 179 2HB LYS 23 1HB LYS 23 -1.735 6.311 -7.392 180 1HG LYS 23 2HG LYS 23 -0.921 6.245 -10.276 181 2HG LYS 23 1HG LYS 23 -2.575 6.555 -9.744 182 1HD LYS 23 2HD LYS 23 -1.857 8.507 -8.512 183 2HD LYS 23 1HD LYS 23 -0.171 8.167 -8.896 184 1HE LYS 23 2HE LYS 23 -0.700 8.440 -11.291 185 2HE LYS 23 1HE LYS 23 -2.356 8.859 -10.854 186 1HZ LYS 23 1HZ LYS 23 -1.333 10.708 -9.498 187 2HZ LYS 23 2HZ LYS 23 -1.250 10.875 -11.179 188 3HZ LYS 23 3HZ LYS 23 0.121 10.384 -10.311 189 H LEU 24 H LEU 24 0.875 4.270 -5.906 190 HA LEU 24 HA LEU 24 0.525 6.308 -3.949 191 1HB LEU 24 2HB LEU 24 1.725 3.565 -3.885 192 2HB LEU 24 1HB LEU 24 1.638 4.577 -2.465 193 HG LEU 24 HG LEU 24 -0.499 3.071 -3.881 194 1HD1 LEU 24 1HD1 LEU 24 0.486 2.294 -1.783 195 2HD1 LEU 24 2HD1 LEU 24 -1.233 2.652 -1.615 196 3HD1 LEU 24 3HD1 LEU 24 -0.033 3.788 -0.996 197 1HD2 LEU 24 1HD2 LEU 24 -2.254 4.455 -2.887 198 2HD2 LEU 24 2HD2 LEU 24 -1.326 5.341 -4.096 199 3HD2 LEU 24 3HD2 LEU 24 -1.037 5.625 -2.377 200 H THR 25 H THR 25 2.674 6.203 -2.267 201 HA THR 25 HA THR 25 4.966 7.162 -3.788 202 HB THR 25 HB THR 25 4.839 9.417 -2.611 203 HG1 THR 25 1HG THR 25 2.455 8.264 -1.828 204 1HG2 THR 25 1HG2 THR 25 3.298 10.385 -4.277 205 2HG2 THR 25 2HG2 THR 25 2.736 8.762 -4.679 206 3HG2 THR 25 3HG2 THR 25 4.410 9.221 -4.997 207 H ASP 26 H ASP 26 6.789 7.708 -2.380 208 HA ASP 26 HA ASP 26 7.220 5.848 -0.389 209 1HB ASP 26 2HB ASP 26 8.564 8.481 -0.946 210 2HB ASP 26 1HB ASP 26 9.108 7.422 0.352 211 H ASP 27 H ASP 27 5.943 9.122 -0.017 212 HA ASP 27 HA ASP 27 5.978 9.312 2.771 213 1HB ASP 27 2HB ASP 27 5.379 11.264 1.604 214 2HB ASP 27 1HB ASP 27 4.100 10.449 0.719 215 H ASP 28 H ASP 28 3.687 7.725 0.612 216 HA ASP 28 HA ASP 28 1.729 7.229 2.613 217 1HB ASP 28 2HB ASP 28 0.563 6.204 0.977 218 2HB ASP 28 1HB ASP 28 1.689 7.008 -0.073 219 H MET 29 H MET 29 4.385 5.431 1.288 220 HA MET 29 HA MET 29 3.481 2.976 2.315 221 1HB MET 29 2HB MET 29 6.300 3.404 1.577 222 2HB MET 29 1HB MET 29 5.229 2.082 1.187 223 1HG MET 29 2HG MET 29 4.031 3.890 -0.246 224 2HG MET 29 1HG MET 29 5.603 4.685 -0.161 225 1HE MET 29 1HE MET 29 3.458 1.902 -1.644 226 2HE MET 29 2HE MET 29 4.367 0.962 -0.459 227 3HE MET 29 3HE MET 29 4.625 0.692 -2.181 228 H THR 30 H THR 30 5.649 5.431 3.529 229 HA THR 30 HA THR 30 6.704 3.893 5.668 230 HB THR 30 HB THR 30 7.814 5.954 4.942 231 HG1 THR 30 1HG THR 30 7.051 5.495 7.556 232 1HG2 THR 30 1HG2 THR 30 6.906 8.150 5.511 233 2HG2 THR 30 2HG2 THR 30 5.429 7.388 6.097 234 3HG2 THR 30 3HG2 THR 30 5.850 7.294 4.387 235 H ILE 31 H ILE 31 3.679 5.538 5.162 236 HA ILE 31 HA ILE 31 2.935 5.314 7.975 237 HB ILE 31 HB ILE 31 0.761 5.974 6.141 238 1HG1 ILE 31 2HG1 ILE 31 3.152 7.856 6.213 239 2HG1 ILE 31 1HG1 ILE 31 2.497 7.034 4.807 240 1HG2 ILE 31 1HG2 ILE 31 0.418 7.785 7.746 241 2HG2 ILE 31 2HG2 ILE 31 1.957 7.395 8.514 242 3HG2 ILE 31 3HG2 ILE 31 0.633 6.230 8.550 243 1HD1 ILE 31 1HD1 ILE 31 0.421 8.290 5.024 244 2HD1 ILE 31 2HD1 ILE 31 1.819 9.352 4.850 245 3HD1 ILE 31 3HD1 ILE 31 1.076 9.125 6.434 246 H ILE 32 H ILE 32 2.274 3.804 4.880 247 HA ILE 32 HA ILE 32 -0.075 2.424 5.800 248 HB ILE 32 HB ILE 32 1.315 2.749 3.186 249 1HG1 ILE 32 2HG1 ILE 32 -0.983 3.293 2.445 250 2HG1 ILE 32 1HG1 ILE 32 -1.564 2.956 4.068 251 1HG2 ILE 32 1HG2 ILE 32 -0.169 1.127 2.091 252 2HG2 ILE 32 2HG2 ILE 32 -0.702 0.568 3.677 253 3HG2 ILE 32 3HG2 ILE 32 0.980 0.357 3.186 254 1HD1 ILE 32 1HD1 ILE 32 -1.368 5.318 3.699 255 2HD1 ILE 32 2HD1 ILE 32 0.336 5.140 3.276 256 3HD1 ILE 32 3HD1 ILE 32 -0.206 4.795 4.919 257 H GLU 33 H GLU 33 3.252 1.687 5.825 258 HA GLU 33 HA GLU 33 3.730 -0.794 5.063 259 1HB GLU 33 2HB GLU 33 5.166 -1.113 7.162 260 2HB GLU 33 1HB GLU 33 5.511 0.247 6.111 261 1HG GLU 33 2HG GLU 33 5.682 1.152 8.230 262 2HG GLU 33 1HG GLU 33 4.056 1.607 7.733 263 H GLY 34 H GLY 34 2.086 -0.260 8.193 264 1HA GLY 34 2HA GLY 34 0.836 -2.890 7.791 265 2HA GLY 34 1HA GLY 34 1.589 -2.521 9.338 266 H LYS 35 H LYS 35 -0.365 -0.518 7.167 267 HA LYS 35 HA LYS 35 -2.365 -0.273 9.309 268 1HB LYS 35 2HB LYS 35 -1.241 2.015 7.686 269 2HB LYS 35 1HB LYS 35 -2.553 2.136 8.847 270 1HG LYS 35 2HG LYS 35 0.251 1.284 9.528 271 2HG LYS 35 1HG LYS 35 -0.370 2.927 9.698 272 1HD LYS 35 2HD LYS 35 -2.083 2.090 11.261 273 2HD LYS 35 1HD LYS 35 -1.400 0.467 11.116 274 1HE LYS 35 2HE LYS 35 0.710 1.248 12.025 275 2HE LYS 35 1HE LYS 35 0.091 2.896 12.104 276 1HZ LYS 35 1HZ LYS 35 -1.595 2.121 13.686 277 2HZ LYS 35 2HZ LYS 35 -0.018 1.865 14.256 278 3HZ LYS 35 3HZ LYS 35 -0.916 0.568 13.650 279 H ARG 36 H ARG 36 -3.836 -1.534 8.290 280 HA ARG 36 HA ARG 36 -4.719 -1.551 5.684 281 1HB ARG 36 2HB ARG 36 -5.470 -3.043 7.544 282 2HB ARG 36 1HB ARG 36 -6.458 -1.731 8.156 283 1HG ARG 36 2HG ARG 36 -6.869 -2.672 5.360 284 2HG ARG 36 1HG ARG 36 -7.494 -3.632 6.698 285 1HD ARG 36 2HD ARG 36 -8.489 -1.349 7.488 286 2HD ARG 36 1HD ARG 36 -8.266 -0.888 5.800 287 HE ARG 36 HE ARG 36 -9.632 -3.402 6.154 288 1HH1 ARG 36 1HH1 ARG 36 -10.042 0.068 5.911 289 2HH1 ARG 36 2HH1 ARG 36 -11.724 -0.035 5.478 290 1HH2 ARG 36 1HH2 ARG 36 -11.829 -3.534 5.603 291 2HH2 ARG 36 2HH2 ARG 36 -12.728 -2.080 5.284 292 H ASP 37 H ASP 37 -5.877 0.545 8.304 293 HA ASP 37 HA ASP 37 -7.838 1.941 6.889 294 1HB ASP 37 2HB ASP 37 -7.844 2.145 9.241 295 2HB ASP 37 1HB ASP 37 -6.159 2.648 9.285 296 H GLN 38 H GLN 38 -4.382 2.551 7.168 297 HA GLN 38 HA GLN 38 -4.502 5.174 6.104 298 1HB GLN 38 2HB GLN 38 -2.224 3.270 6.559 299 2HB GLN 38 1HB GLN 38 -1.991 4.864 5.854 300 1HG GLN 38 2HG GLN 38 -3.198 4.303 8.551 301 2HG GLN 38 1HG GLN 38 -1.548 4.848 8.255 302 1HE2 GLN 38 1HE2 GLN 38 -4.916 5.752 8.257 303 2HE2 GLN 38 2HE2 GLN 38 -4.655 7.462 8.142 304 H LEU 39 H LEU 39 -3.896 1.995 4.622 305 HA LEU 39 HA LEU 39 -3.168 3.041 2.098 306 1HB LEU 39 2HB LEU 39 -2.759 0.689 2.633 307 2HB LEU 39 1HB LEU 39 -4.486 0.390 2.715 308 HG LEU 39 HG LEU 39 -4.717 0.846 0.328 309 1HD1 LEU 39 1HD1 LEU 39 -1.739 1.282 0.330 310 2HD1 LEU 39 2HD1 LEU 39 -2.971 2.523 0.088 311 3HD1 LEU 39 3HD1 LEU 39 -2.783 1.221 -1.093 312 1HD2 LEU 39 1HD2 LEU 39 -2.503 -1.097 0.933 313 2HD2 LEU 39 2HD2 LEU 39 -3.379 -1.003 -0.597 314 3HD2 LEU 39 3HD2 LEU 39 -4.234 -1.440 0.889 315 H VAL 40 H VAL 40 -6.291 2.224 3.536 316 HA VAL 40 HA VAL 40 -7.939 2.696 1.340 317 HB VAL 40 HB VAL 40 -8.447 3.275 4.266 318 1HG1 VAL 40 1HG1 VAL 40 -10.828 3.364 3.695 319 2HG1 VAL 40 2HG1 VAL 40 -10.426 3.207 1.985 320 3HG1 VAL 40 3HG1 VAL 40 -9.931 4.644 2.880 321 1HG2 VAL 40 1HG2 VAL 40 -9.294 1.004 2.479 322 2HG2 VAL 40 2HG2 VAL 40 -9.754 1.210 4.169 323 3HG2 VAL 40 3HG2 VAL 40 -8.065 0.930 3.744 324 H GLY 41 H GLY 41 -6.832 5.005 3.810 325 1HA GLY 41 2HA GLY 41 -7.978 7.306 2.669 326 2HA GLY 41 1HA GLY 41 -6.602 7.289 3.759 327 H LYS 42 H LYS 42 -4.826 5.802 2.147 328 HA LYS 42 HA LYS 42 -3.767 7.960 0.647 329 1HB LYS 42 2HB LYS 42 -2.929 5.196 1.288 330 2HB LYS 42 1HB LYS 42 -2.166 5.968 -0.099 331 1HG LYS 42 2HG LYS 42 -2.282 7.075 2.698 332 2HG LYS 42 1HG LYS 42 -0.885 6.317 1.943 333 1HD LYS 42 2HD LYS 42 -0.980 8.082 0.172 334 2HD LYS 42 1HD LYS 42 -2.245 8.876 1.113 335 1HE LYS 42 2HE LYS 42 -0.664 9.001 3.018 336 2HE LYS 42 1HE LYS 42 0.592 8.342 1.974 337 1HZ LYS 42 1HZ LYS 42 0.844 10.676 1.953 338 2HZ LYS 42 2HZ LYS 42 -0.815 10.934 1.687 339 3HZ LYS 42 3HZ LYS 42 0.139 10.269 0.463 340 H ILE 43 H ILE 43 -5.239 4.881 -0.354 341 HA ILE 43 HA ILE 43 -4.877 5.270 -3.121 342 HB ILE 43 HB ILE 43 -7.115 3.826 -1.677 343 1HG1 ILE 43 2HG1 ILE 43 -4.594 2.740 -2.942 344 2HG1 ILE 43 1HG1 ILE 43 -4.768 3.068 -1.220 345 1HG2 ILE 43 1HG2 ILE 43 -7.748 4.328 -3.969 346 2HG2 ILE 43 2HG2 ILE 43 -7.428 2.602 -3.773 347 3HG2 ILE 43 3HG2 ILE 43 -6.232 3.640 -4.550 348 1HD1 ILE 43 1HD1 ILE 43 -6.586 1.432 -1.115 349 2HD1 ILE 43 2HD1 ILE 43 -5.070 0.724 -1.671 350 3HD1 ILE 43 3HD1 ILE 43 -6.352 1.082 -2.829 351 H GLN 44 H GLN 44 -7.463 6.344 -0.937 352 HA GLN 44 HA GLN 44 -9.102 7.589 -2.873 353 1HB GLN 44 2HB GLN 44 -8.694 8.358 0.023 354 2HB GLN 44 1HB GLN 44 -10.023 8.882 -0.994 355 1HG GLN 44 2HG GLN 44 -10.822 6.577 -1.144 356 2HG GLN 44 1HG GLN 44 -9.466 6.046 -0.152 357 1HE2 GLN 44 1HE2 GLN 44 -9.451 6.480 2.017 358 2HE2 GLN 44 2HE2 GLN 44 -10.834 7.057 2.881 359 H GLU 45 H GLU 45 -6.143 8.493 -1.361 360 HA GLU 45 HA GLU 45 -6.356 11.308 -1.964 361 1HB GLU 45 2HB GLU 45 -5.147 10.630 0.029 362 2HB GLU 45 1HB GLU 45 -4.068 9.624 -0.928 363 1HG GLU 45 2HG GLU 45 -3.481 11.855 -2.125 364 2HG GLU 45 1HG GLU 45 -4.156 12.594 -0.673 365 H ARG 46 H ARG 46 -4.311 8.623 -3.044 366 HA ARG 46 HA ARG 46 -2.797 10.157 -4.862 367 1HB ARG 46 2HB ARG 46 -3.191 7.183 -4.535 368 2HB ARG 46 1HB ARG 46 -2.081 7.872 -5.704 369 1HG ARG 46 2HG ARG 46 -1.968 8.353 -2.738 370 2HG ARG 46 1HG ARG 46 -0.999 7.169 -3.608 371 1HD ARG 46 2HD ARG 46 0.464 8.895 -3.541 372 2HD ARG 46 1HD ARG 46 -0.346 9.253 -5.056 373 HE ARG 46 HE ARG 46 -1.413 10.515 -2.651 374 1HH1 ARG 46 1HH1 ARG 46 0.609 10.814 -5.493 375 2HH1 ARG 46 2HH1 ARG 46 0.588 12.551 -5.488 376 1HH2 ARG 46 1HH2 ARG 46 -1.458 12.795 -2.642 377 2HH2 ARG 46 2HH2 ARG 46 -0.609 13.680 -3.867 378 H TYR 47 H TYR 47 -5.231 7.638 -5.556 379 HA TYR 47 HA TYR 47 -5.478 8.535 -8.295 380 1HB TYR 47 2HB TYR 47 -7.099 6.565 -6.683 381 2HB TYR 47 1HB TYR 47 -7.389 6.917 -8.382 382 HD1 TYR 47 1HD TYR 47 -5.192 5.295 -5.980 383 HD2 TYR 47 2HD TYR 47 -5.869 6.127 -10.088 384 HE1 TYR 47 1HE TYR 47 -3.590 3.548 -6.588 385 HE2 TYR 47 2HE TYR 47 -4.266 4.378 -10.716 386 HH TYR 47 HH TYR 47 -3.155 2.055 -8.587 387 H GLY 48 H GLY 48 -7.449 8.650 -5.387 388 1HA GLY 48 2HA GLY 48 -8.957 10.448 -4.899 389 2HA GLY 48 1HA GLY 48 -9.077 10.768 -6.624 390 H TYR 49 H TYR 49 -9.412 7.752 -4.792 391 HA TYR 49 HA TYR 49 -11.912 7.195 -6.183 392 1HB TYR 49 2HB TYR 49 -10.218 5.517 -4.335 393 2HB TYR 49 1HB TYR 49 -11.741 4.977 -5.026 394 HD1 TYR 49 1HD TYR 49 -11.564 5.857 -7.800 395 HD2 TYR 49 2HD TYR 49 -8.566 4.250 -5.253 396 HE1 TYR 49 1HE TYR 49 -10.381 4.972 -9.766 397 HE2 TYR 49 2HE TYR 49 -7.375 3.355 -7.209 398 HH TYR 49 HH TYR 49 -7.921 2.678 -9.530 399 H GLN 50 H GLN 50 -13.679 6.186 -4.894 400 HA GLN 50 HA GLN 50 -14.234 7.740 -2.516 401 1HB GLN 50 2HB GLN 50 -15.883 5.580 -3.848 402 2HB GLN 50 1HB GLN 50 -16.435 6.663 -2.577 403 1HG GLN 50 2HG GLN 50 -15.667 7.404 -5.387 404 2HG GLN 50 1HG GLN 50 -17.282 7.425 -4.679 405 1HE2 GLN 50 1HE2 GLN 50 -17.847 9.071 -3.273 406 2HE2 GLN 50 2HE2 GLN 50 -16.902 10.519 -3.101 407 H LYS 51 H LYS 51 -14.797 6.733 -0.470 408 HA LYS 51 HA LYS 51 -12.861 4.937 0.412 409 1HB LYS 51 2HB LYS 51 -14.193 6.477 1.872 410 2HB LYS 51 1HB LYS 51 -15.554 5.371 1.713 411 1HG LYS 51 2HG LYS 51 -14.169 3.583 2.704 412 2HG LYS 51 1HG LYS 51 -12.872 4.753 2.935 413 1HD LYS 51 2HD LYS 51 -14.336 6.075 4.390 414 2HD LYS 51 1HD LYS 51 -15.623 4.887 4.167 415 1HE LYS 51 2HE LYS 51 -14.191 3.160 5.152 416 2HE LYS 51 1HE LYS 51 -12.913 4.352 5.382 417 1HZ LYS 51 1HZ LYS 51 -14.116 4.024 7.420 418 2HZ LYS 51 2HZ LYS 51 -15.592 4.375 6.663 419 3HZ LYS 51 3HZ LYS 51 -14.420 5.590 6.841 420 H ASP 52 H ASP 52 -16.060 4.368 -0.844 421 HA ASP 52 HA ASP 52 -16.511 1.722 -0.145 422 1HB ASP 52 2HB ASP 52 -18.185 3.082 -1.281 423 2HB ASP 52 1HB ASP 52 -17.176 3.184 -2.712 424 H GLN 53 H GLN 53 -14.986 2.979 -3.086 425 HA GLN 53 HA GLN 53 -14.312 0.420 -4.099 426 1HB GLN 53 2HB GLN 53 -14.638 2.438 -5.501 427 2HB GLN 53 1HB GLN 53 -13.177 3.124 -4.812 428 1HG GLN 53 2HG GLN 53 -11.868 1.279 -5.728 429 2HG GLN 53 1HG GLN 53 -13.333 0.577 -6.409 430 1HE2 GLN 53 1HE2 GLN 53 -10.881 1.447 -7.702 431 2HE2 GLN 53 2HE2 GLN 53 -11.370 2.625 -8.878 432 H ALA 54 H ALA 54 -12.510 2.944 -2.387 433 HA ALA 54 HA ALA 54 -9.946 1.900 -2.666 434 1HB ALA 54 1HB ALA 54 -9.326 3.291 -0.772 435 2HB ALA 54 2HB ALA 54 -11.025 3.483 -0.337 436 3HB ALA 54 3HB ALA 54 -10.420 4.163 -1.847 437 H GLU 55 H GLU 55 -12.337 1.330 -0.076 438 HA GLU 55 HA GLU 55 -10.632 -0.326 1.453 439 1HB GLU 55 2HB GLU 55 -13.649 -0.211 1.372 440 2HB GLU 55 1HB GLU 55 -12.717 -1.114 2.558 441 1HG GLU 55 2HG GLU 55 -11.612 1.064 3.167 442 2HG GLU 55 1HG GLU 55 -12.835 1.855 2.173 443 H LYS 56 H LYS 56 -12.985 -1.035 -1.096 444 HA LYS 56 HA LYS 56 -12.895 -3.834 -0.925 445 1HB LYS 56 2HB LYS 56 -13.399 -2.001 -3.269 446 2HB LYS 56 1HB LYS 56 -13.571 -3.752 -3.361 447 1HG LYS 56 2HG LYS 56 -15.317 -3.736 -1.737 448 2HG LYS 56 1HG LYS 56 -15.052 -2.029 -1.390 449 1HD LYS 56 2HD LYS 56 -15.760 -1.455 -3.655 450 2HD LYS 56 1HD LYS 56 -16.014 -3.167 -4.012 451 1HE LYS 56 2HE LYS 56 -17.754 -3.315 -2.384 452 2HE LYS 56 1HE LYS 56 -17.407 -1.691 -1.790 453 1HZ LYS 56 1HZ LYS 56 -19.349 -1.729 -3.220 454 2HZ LYS 56 2HZ LYS 56 -18.430 -2.352 -4.502 455 3HZ LYS 56 3HZ LYS 56 -18.116 -0.790 -3.904 456 H GLU 57 H GLU 57 -10.838 -1.565 -2.699 457 HA GLU 57 HA GLU 57 -9.251 -3.544 -3.969 458 1HB GLU 57 2HB GLU 57 -8.553 -0.681 -3.274 459 2HB GLU 57 1HB GLU 57 -7.695 -1.701 -4.424 460 1HG GLU 57 2HG GLU 57 -9.614 -1.779 -5.868 461 2HG GLU 57 1HG GLU 57 -10.583 -0.908 -4.683 462 H VAL 58 H VAL 58 -8.961 -1.785 -0.912 463 HA VAL 58 HA VAL 58 -6.423 -2.754 -0.178 464 HB VAL 58 HB VAL 58 -8.722 -1.878 1.577 465 1HG1 VAL 58 1HG1 VAL 58 -7.192 -3.295 2.844 466 2HG1 VAL 58 2HG1 VAL 58 -7.057 -1.614 3.356 467 3HG1 VAL 58 3HG1 VAL 58 -5.827 -2.319 2.307 468 1HG2 VAL 58 1HG2 VAL 58 -6.251 -0.431 0.634 469 2HG2 VAL 58 2HG2 VAL 58 -7.441 0.206 1.769 470 3HG2 VAL 58 3HG2 VAL 58 -7.906 -0.130 0.103 471 H VAL 59 H VAL 59 -9.678 -3.997 0.512 472 HA VAL 59 HA VAL 59 -8.940 -6.169 2.105 473 HB VAL 59 HB VAL 59 -11.345 -5.820 0.301 474 1HG1 VAL 59 1HG1 VAL 59 -12.399 -7.609 1.598 475 2HG1 VAL 59 2HG1 VAL 59 -10.885 -7.879 2.459 476 3HG1 VAL 59 3HG1 VAL 59 -10.981 -8.194 0.726 477 1HG2 VAL 59 1HG2 VAL 59 -10.999 -5.471 3.282 478 2HG2 VAL 59 2HG2 VAL 59 -12.510 -5.285 2.390 479 3HG2 VAL 59 3HG2 VAL 59 -11.170 -4.176 2.098 480 H ASP 60 H ASP 60 -9.243 -5.891 -1.418 481 HA ASP 60 HA ASP 60 -8.823 -8.626 -1.984 482 1HB ASP 60 2HB ASP 60 -9.702 -7.095 -3.684 483 2HB ASP 60 1HB ASP 60 -8.176 -6.216 -3.696 484 H TRP 61 H TRP 61 -6.562 -5.874 -2.086 485 HA TRP 61 HA TRP 61 -4.211 -7.302 -2.537 486 1HB TRP 61 2HB TRP 61 -4.375 -4.831 -2.617 487 2HB TRP 61 1HB TRP 61 -4.559 -4.796 -0.865 488 HD1 TRP 61 HD TRP 61 -1.967 -5.329 -3.594 489 HE1 TRP 61 1HE TRP 61 0.388 -5.227 -2.554 490 HE3 TRP 61 3HE TRP 61 -3.272 -5.185 1.344 491 HZ2 TRP 61 2HZ TRP 61 1.535 -5.113 0.023 492 HZ3 TRP 61 3HZ TRP 61 -1.488 -5.083 3.035 493 HH2 TRP 61 HH TRP 61 0.867 -5.047 2.386 494 H GLU 62 H GLU 62 -5.929 -6.568 0.404 495 HA GLU 62 HA GLU 62 -4.178 -7.402 2.353 496 1HB GLU 62 2HB GLU 62 -6.115 -6.377 3.106 497 2HB GLU 62 1HB GLU 62 -7.157 -7.372 2.102 498 1HG GLU 62 2HG GLU 62 -6.828 -9.253 3.539 499 2HG GLU 62 1HG GLU 62 -5.657 -8.362 4.502 500 H THR 63 H THR 63 -6.659 -9.401 0.749 501 HA THR 63 HA THR 63 -5.926 -11.774 2.071 502 HB THR 63 HB THR 63 -7.416 -11.368 -0.517 503 HG1 THR 63 1HG THR 63 -8.150 -11.535 2.218 504 1HG2 THR 63 1HG2 THR 63 -6.597 -13.669 -0.375 505 2HG2 THR 63 2HG2 THR 63 -8.341 -13.620 -0.120 506 3HG2 THR 63 3HG2 THR 63 -7.255 -13.814 1.255 507 H ARG 64 H ARG 64 -4.699 -10.265 -0.847 508 HA ARG 64 HA ARG 64 -3.461 -12.538 -1.985 509 1HB ARG 64 2HB ARG 64 -2.431 -9.705 -2.162 510 2HB ARG 64 1HB ARG 64 -2.166 -11.006 -3.310 511 1HG ARG 64 2HG ARG 64 -4.838 -9.748 -2.745 512 2HG ARG 64 1HG ARG 64 -3.768 -9.286 -4.067 513 1HD ARG 64 2HD ARG 64 -3.922 -11.533 -4.991 514 2HD ARG 64 1HD ARG 64 -4.950 -12.021 -3.646 515 HE ARG 64 HE ARG 64 -6.197 -9.841 -4.774 516 1HH1 ARG 64 1HH1 ARG 64 -5.235 -13.027 -5.915 517 2HH1 ARG 64 2HH1 ARG 64 -6.517 -13.118 -7.087 518 1HH2 ARG 64 1HH2 ARG 64 -7.857 -9.973 -6.287 519 2HH2 ARG 64 2HH2 ARG 64 -7.996 -11.373 -7.318 520 H ASN 65 H ASN 65 -2.337 -10.130 0.347 521 HA ASN 65 HA ASN 65 0.265 -11.491 0.450 522 1HB ASN 65 2HB ASN 65 -0.463 -8.665 1.220 523 2HB ASN 65 1HB ASN 65 1.141 -9.381 1.366 524 1HD2 ASN 65 1HD2 ASN 65 -1.327 -8.329 -0.864 525 2HD2 ASN 65 2HD2 ASN 65 -0.316 -8.263 -2.263 526 H GLU 66 H GLU 66 -2.047 -9.868 2.591 527 HA GLU 66 HA GLU 66 -2.943 -10.539 4.574 528 1HB GLU 66 2HB GLU 66 -1.040 -12.863 4.327 529 2HB GLU 66 1HB GLU 66 -2.130 -12.648 5.689 530 1HG GLU 66 2HG GLU 66 -3.192 -12.668 2.898 531 2HG GLU 66 1HG GLU 66 -2.823 -14.178 3.730 532 H TYR 67 H TYR 67 0.566 -10.585 4.317 533 HA TYR 67 HA TYR 67 0.980 -9.880 7.067 534 1HB TYR 67 2HB TYR 67 2.664 -11.116 5.751 535 2HB TYR 67 1HB TYR 67 2.861 -9.726 4.696 536 HD1 TYR 67 1HD TYR 67 5.279 -9.881 5.192 537 HD2 TYR 67 2HD TYR 67 2.436 -9.020 8.238 538 HE1 TYR 67 1HE TYR 67 7.082 -9.027 6.621 539 HE2 TYR 67 2HE TYR 67 4.236 -8.160 9.680 540 HH TYR 67 HH TYR 67 6.522 -8.104 9.963 541 H ARG 68 H ARG 68 -0.169 -8.061 7.516 542 HA ARG 68 HA ARG 68 1.000 -5.552 7.118 543 1HB ARG 68 2HB ARG 68 0.107 -5.743 4.817 544 2HB ARG 68 1HB ARG 68 -1.507 -5.990 5.471 545 1HG ARG 68 2HG ARG 68 -0.798 -3.662 6.677 546 2HG ARG 68 1HG ARG 68 0.031 -3.520 5.127 547 1HD ARG 68 2HD ARG 68 -2.186 -2.553 4.980 548 2HD ARG 68 1HD ARG 68 -2.087 -3.997 3.970 549 HE ARG 68 HE ARG 68 -3.205 -4.185 6.692 550 1HH1 ARG 68 1HH1 ARG 68 -3.676 -4.345 3.217 551 2HH1 ARG 68 2HH1 ARG 68 -5.200 -5.163 3.330 552 1HH2 ARG 68 1HH2 ARG 68 -5.209 -5.259 6.852 553 2HH2 ARG 68 2HH2 ARG 68 -6.089 -5.694 5.406 554 H TRP 69 H TRP 69 -2.011 -7.303 7.570 555 HA TRP 69 HA TRP 69 -3.630 -7.251 9.138 556 1HB TRP 69 2HB TRP 69 -1.844 -5.268 10.560 557 2HB TRP 69 1HB TRP 69 -3.362 -5.880 11.211 558 HD1 TRP 69 HD TRP 69 -3.365 -8.786 11.234 559 HE1 TRP 69 1HE TRP 69 -1.503 -10.283 12.191 560 HE3 TRP 69 3HE TRP 69 0.494 -5.439 11.125 561 HZ2 TRP 69 2HZ TRP 69 1.242 -10.066 12.826 562 HZ3 TRP 69 3HZ TRP 69 2.702 -6.160 11.928 563 HH2 TRP 69 HH TRP 69 3.070 -8.425 12.761 Start of MODEL 16 1 1H MET 1 1HT MET 1 -1.915 -0.462 21.052 2 2H MET 1 2HT MET 1 -1.263 -1.201 22.429 3 3H MET 1 3HT MET 1 -1.835 -2.157 21.148 4 HA MET 1 HA MET 1 0.461 -0.290 21.008 5 1HB MET 1 2HB MET 1 1.060 -2.170 22.379 6 2HB MET 1 1HB MET 1 0.336 -3.298 21.241 7 1HG MET 1 2HG MET 1 2.030 -2.643 19.568 8 2HG MET 1 1HG MET 1 2.781 -1.606 20.778 9 1HE MET 1 1HE MET 1 4.316 -3.825 19.134 10 2HE MET 1 2HE MET 1 5.297 -4.591 20.382 11 3HE MET 1 3HE MET 1 5.118 -2.836 20.354 12 H ASN 2 H ASN 2 0.760 0.415 19.012 13 HA ASN 2 HA ASN 2 -0.027 -1.272 16.755 14 1HB ASN 2 2HB ASN 2 -0.666 1.212 16.924 15 2HB ASN 2 1HB ASN 2 1.031 1.556 16.631 16 1HD2 ASN 2 1HD2 ASN 2 1.544 -0.462 14.685 17 2HD2 ASN 2 2HD2 ASN 2 0.661 -0.048 13.260 18 H LYS 3 H LYS 3 1.483 -2.484 15.824 19 HA LYS 3 HA LYS 3 4.208 -2.337 16.630 20 1HB LYS 3 2HB LYS 3 4.493 -4.098 14.765 21 2HB LYS 3 1HB LYS 3 3.518 -4.517 16.162 22 1HG LYS 3 2HG LYS 3 2.373 -5.331 14.270 23 2HG LYS 3 1HG LYS 3 1.488 -3.906 14.803 24 1HD LYS 3 2HD LYS 3 2.937 -2.651 13.060 25 2HD LYS 3 1HD LYS 3 3.236 -4.258 12.395 26 1HE LYS 3 2HE LYS 3 0.845 -4.619 12.151 27 2HE LYS 3 1HE LYS 3 0.521 -3.037 12.862 28 1HZ LYS 3 1HZ LYS 3 1.973 -2.178 10.931 29 2HZ LYS 3 2HZ LYS 3 0.369 -2.645 10.617 30 3HZ LYS 3 3HZ LYS 3 1.642 -3.685 10.220 31 H ASP 4 H ASP 4 6.011 -1.685 15.492 32 HA ASP 4 HA ASP 4 5.430 -0.151 13.046 33 1HB ASP 4 2HB ASP 4 7.359 1.258 13.551 34 2HB ASP 4 1HB ASP 4 6.222 1.270 14.891 35 H GLU 5 H GLU 5 5.974 -1.264 11.312 36 HA GLU 5 HA GLU 5 8.601 -2.602 11.314 37 1HB GLU 5 2HB GLU 5 6.217 -3.793 10.732 38 2HB GLU 5 1HB GLU 5 6.713 -3.253 9.135 39 1HG GLU 5 2HG GLU 5 8.261 -5.050 10.989 40 2HG GLU 5 1HG GLU 5 7.451 -5.515 9.495 41 H ALA 6 H ALA 6 10.070 -1.960 9.795 42 HA ALA 6 HA ALA 6 9.310 -0.451 7.481 43 1HB ALA 6 1HB ALA 6 9.143 1.328 9.130 44 2HB ALA 6 2HB ALA 6 10.510 1.615 8.052 45 3HB ALA 6 3HB ALA 6 10.787 0.996 9.680 46 H GLY 7 H GLY 7 10.853 -2.857 8.237 47 1HA GLY 7 2HA GLY 7 13.364 -2.092 6.896 48 2HA GLY 7 1HA GLY 7 13.413 -3.066 8.354 49 H GLY 8 H GLY 8 11.893 -5.076 8.185 50 1HA GLY 8 2HA GLY 8 13.083 -6.572 6.016 51 2HA GLY 8 1HA GLY 8 12.147 -7.228 7.349 52 H ASN 9 H ASN 9 9.735 -6.385 7.216 53 HA ASN 9 HA ASN 9 8.807 -7.514 4.718 54 1HB ASN 9 2HB ASN 9 7.712 -8.403 6.604 55 2HB ASN 9 1HB ASN 9 7.441 -6.813 7.306 56 1HD2 ASN 9 1HD2 ASN 9 5.658 -5.644 6.696 57 2HD2 ASN 9 2HD2 ASN 9 4.420 -6.273 5.668 58 H TRP 10 H TRP 10 8.847 -4.420 6.352 59 HA TRP 10 HA TRP 10 6.849 -3.112 4.916 60 1HB TRP 10 2HB TRP 10 7.920 -2.133 6.889 61 2HB TRP 10 1HB TRP 10 9.423 -1.949 5.995 62 HD1 TRP 10 HD TRP 10 5.754 -0.712 5.651 63 HE1 TRP 10 1HE TRP 10 5.814 1.709 4.774 64 HE3 TRP 10 3HE TRP 10 10.808 -0.178 5.085 65 HZ2 TRP 10 2HZ TRP 10 7.746 3.589 3.949 66 HZ3 TRP 10 3HZ TRP 10 11.679 1.964 4.246 67 HH2 TRP 10 HH TRP 10 10.177 3.807 3.689 68 H LYS 11 H LYS 11 10.268 -3.583 4.078 69 HA LYS 11 HA LYS 11 10.183 -1.979 1.750 70 1HB LYS 11 2HB LYS 11 12.323 -2.544 2.700 71 2HB LYS 11 1HB LYS 11 12.012 -4.264 2.508 72 1HG LYS 11 2HG LYS 11 12.020 -3.994 0.077 73 2HG LYS 11 1HG LYS 11 12.349 -2.274 0.271 74 1HD LYS 11 2HD LYS 11 14.488 -2.732 1.253 75 2HD LYS 11 1HD LYS 11 14.140 -4.462 1.318 76 1HE LYS 11 2HE LYS 11 14.087 -4.563 -1.108 77 2HE LYS 11 1HE LYS 11 14.357 -2.824 -1.202 78 1HZ LYS 11 1HZ LYS 11 16.363 -4.252 -1.547 79 2HZ LYS 11 2HZ LYS 11 16.269 -4.684 0.088 80 3HZ LYS 11 3HZ LYS 11 16.526 -3.063 -0.350 81 H GLN 12 H GLN 12 9.724 -5.453 2.280 82 HA GLN 12 HA GLN 12 9.462 -6.129 -0.463 83 1HB GLN 12 2HB GLN 12 9.242 -8.273 0.282 84 2HB GLN 12 1HB GLN 12 9.822 -7.574 1.775 85 1HG GLN 12 2HG GLN 12 7.550 -7.411 2.605 86 2HG GLN 12 1HG GLN 12 6.946 -8.093 1.094 87 1HE2 GLN 12 1HE2 GLN 12 6.672 -9.125 3.797 88 2HE2 GLN 12 2HE2 GLN 12 7.399 -10.700 3.786 89 H PHE 13 H PHE 13 7.315 -5.038 2.000 90 HA PHE 13 HA PHE 13 4.902 -5.699 0.595 91 1HB PHE 13 2HB PHE 13 5.337 -5.559 3.148 92 2HB PHE 13 1HB PHE 13 5.110 -3.826 2.934 93 HD1 PHE 13 1HD PHE 13 3.007 -2.962 3.164 94 HD2 PHE 13 2HD PHE 13 3.484 -7.055 2.082 95 HE1 PHE 13 1HE PHE 13 0.575 -3.275 3.270 96 HE2 PHE 13 2HE PHE 13 1.064 -7.368 2.178 97 HZ PHE 13 HZ PHE 13 -0.410 -5.486 2.791 98 H LYS 14 H LYS 14 6.692 -2.759 1.404 99 HA LYS 14 HA LYS 14 5.152 -0.784 0.276 100 1HB LYS 14 2HB LYS 14 7.287 -0.434 1.504 101 2HB LYS 14 1HB LYS 14 8.169 -1.039 0.111 102 1HG LYS 14 2HG LYS 14 7.286 0.836 -1.223 103 2HG LYS 14 1HG LYS 14 6.494 1.456 0.225 104 1HD LYS 14 2HD LYS 14 8.546 2.650 -0.065 105 2HD LYS 14 1HD LYS 14 8.734 1.568 1.316 106 1HE LYS 14 2HE LYS 14 9.944 -0.022 -0.063 107 2HE LYS 14 1HE LYS 14 9.692 0.989 -1.485 108 1HZ LYS 14 1HZ LYS 14 11.878 1.377 -0.674 109 2HZ LYS 14 2HZ LYS 14 11.326 1.639 0.906 110 3HZ LYS 14 3HZ LYS 14 10.958 2.760 -0.315 111 H GLY 15 H GLY 15 7.593 -2.792 -1.324 112 1HA GLY 15 2HA GLY 15 7.272 -1.698 -3.896 113 2HA GLY 15 1HA GLY 15 7.974 -3.265 -3.527 114 H LYS 16 H LYS 16 5.407 -4.130 -2.169 115 HA LYS 16 HA LYS 16 4.360 -5.259 -4.617 116 1HB LYS 16 2HB LYS 16 4.828 -6.404 -2.318 117 2HB LYS 16 1HB LYS 16 3.233 -5.790 -1.904 118 1HG LYS 16 2HG LYS 16 2.166 -7.142 -3.431 119 2HG LYS 16 1HG LYS 16 3.617 -7.345 -4.421 120 1HD LYS 16 2HD LYS 16 4.638 -8.652 -2.631 121 2HD LYS 16 1HD LYS 16 3.171 -8.485 -1.667 122 1HE LYS 16 2HE LYS 16 1.913 -9.625 -3.469 123 2HE LYS 16 1HE LYS 16 3.432 -9.873 -4.329 124 1HZ LYS 16 1HZ LYS 16 4.226 -11.270 -2.612 125 2HZ LYS 16 2HZ LYS 16 2.647 -11.795 -2.958 126 3HZ LYS 16 3HZ LYS 16 2.947 -10.859 -1.577 127 H VAL 17 H VAL 17 3.448 -2.944 -2.173 128 HA VAL 17 HA VAL 17 0.755 -2.546 -3.011 129 HB VAL 17 HB VAL 17 2.627 -0.523 -1.739 130 1HG1 VAL 17 1HG1 VAL 17 0.645 0.511 -2.670 131 2HG1 VAL 17 2HG1 VAL 17 0.572 0.527 -0.907 132 3HG1 VAL 17 3HG1 VAL 17 -0.383 -0.644 -1.819 133 1HG2 VAL 17 1HG2 VAL 17 1.654 -1.205 0.402 134 2HG2 VAL 17 2HG2 VAL 17 2.517 -2.529 -0.378 135 3HG2 VAL 17 3HG2 VAL 17 0.755 -2.479 -0.418 136 H LYS 18 H LYS 18 3.873 -1.375 -4.082 137 HA LYS 18 HA LYS 18 2.851 0.595 -5.880 138 1HB LYS 18 2HB LYS 18 5.526 -0.808 -5.872 139 2HB LYS 18 1HB LYS 18 5.125 0.623 -6.812 140 1HG LYS 18 2HG LYS 18 4.728 1.858 -4.722 141 2HG LYS 18 1HG LYS 18 5.203 0.424 -3.812 142 1HD LYS 18 2HD LYS 18 7.110 1.814 -3.899 143 2HD LYS 18 1HD LYS 18 7.395 0.516 -5.058 144 1HE LYS 18 2HE LYS 18 6.631 2.009 -6.873 145 2HE LYS 18 1HE LYS 18 6.447 3.311 -5.694 146 1HZ LYS 18 1HZ LYS 18 8.555 3.520 -6.809 147 2HZ LYS 18 2HZ LYS 18 8.973 1.924 -6.422 148 3HZ LYS 18 3HZ LYS 18 8.836 3.083 -5.194 149 H GLU 19 H GLU 19 3.365 -2.829 -6.025 150 HA GLU 19 HA GLU 19 3.217 -3.089 -8.851 151 1HB GLU 19 2HB GLU 19 2.591 -5.052 -6.647 152 2HB GLU 19 1HB GLU 19 2.640 -5.465 -8.356 153 1HG GLU 19 2HG GLU 19 4.990 -4.846 -8.450 154 2HG GLU 19 1HG GLU 19 4.945 -4.401 -6.744 155 H GLN 20 H GLN 20 0.795 -3.382 -6.266 156 HA GLN 20 HA GLN 20 -1.353 -3.826 -8.121 157 1HB GLN 20 2HB GLN 20 -1.144 -4.531 -5.606 158 2HB GLN 20 1HB GLN 20 -1.770 -2.919 -5.291 159 1HG GLN 20 2HG GLN 20 -3.151 -4.891 -7.079 160 2HG GLN 20 1HG GLN 20 -3.451 -4.795 -5.349 161 1HE2 GLN 20 1HE2 GLN 20 -4.605 -3.086 -4.535 162 2HE2 GLN 20 2HE2 GLN 20 -5.465 -1.959 -5.522 163 H TRP 21 H TRP 21 -0.736 -1.183 -5.798 164 HA TRP 21 HA TRP 21 -2.437 0.575 -7.341 165 1HB TRP 21 2HB TRP 21 -0.899 0.995 -4.763 166 2HB TRP 21 1HB TRP 21 -1.853 2.250 -5.535 167 HD1 TRP 21 HD TRP 21 -4.501 2.036 -5.422 168 HE1 TRP 21 1HE TRP 21 -6.062 0.653 -3.923 169 HE3 TRP 21 3HE TRP 21 -1.093 -1.280 -3.545 170 HZ2 TRP 21 2HZ TRP 21 -5.874 -1.544 -2.165 171 HZ3 TRP 21 3HZ TRP 21 -1.871 -2.990 -1.961 172 HH2 TRP 21 HH TRP 21 -4.209 -3.119 -1.283 173 H GLY 22 H GLY 22 0.802 1.198 -5.979 174 1HA GLY 22 2HA GLY 22 2.748 1.793 -7.123 175 2HA GLY 22 1HA GLY 22 1.841 1.765 -8.627 176 H LYS 23 H LYS 23 -0.223 3.539 -7.303 177 HA LYS 23 HA LYS 23 0.844 6.030 -8.153 178 1HB LYS 23 2HB LYS 23 -1.711 4.997 -7.162 179 2HB LYS 23 1HB LYS 23 -1.395 6.651 -6.652 180 1HG LYS 23 2HG LYS 23 -1.031 5.871 -9.510 181 2HG LYS 23 1HG LYS 23 -2.641 6.216 -8.869 182 1HD LYS 23 2HD LYS 23 -2.138 8.432 -8.443 183 2HD LYS 23 1HD LYS 23 -0.401 8.137 -8.384 184 1HE LYS 23 2HE LYS 23 -0.280 7.897 -10.740 185 2HE LYS 23 1HE LYS 23 -2.037 7.850 -10.889 186 1HZ LYS 23 1HZ LYS 23 -1.120 9.991 -11.549 187 2HZ LYS 23 2HZ LYS 23 -0.451 10.206 -10.006 188 3HZ LYS 23 3HZ LYS 23 -2.137 10.150 -10.199 189 H LEU 24 H LEU 24 0.873 4.319 -5.210 190 HA LEU 24 HA LEU 24 1.374 6.633 -3.555 191 1HB LEU 24 2HB LEU 24 1.406 3.674 -2.989 192 2HB LEU 24 1HB LEU 24 1.715 4.899 -1.778 193 HG LEU 24 HG LEU 24 -0.863 4.479 -3.292 194 1HD1 LEU 24 1HD1 LEU 24 -0.149 4.118 -0.388 195 2HD1 LEU 24 2HD1 LEU 24 -0.475 2.834 -1.553 196 3HD1 LEU 24 3HD1 LEU 24 -1.762 3.944 -1.081 197 1HD2 LEU 24 1HD2 LEU 24 -0.489 6.848 -2.925 198 2HD2 LEU 24 2HD2 LEU 24 -0.150 6.548 -1.221 199 3HD2 LEU 24 3HD2 LEU 24 -1.766 6.256 -1.862 200 H THR 25 H THR 25 3.295 7.266 -2.749 201 HA THR 25 HA THR 25 5.670 6.049 -3.982 202 HB THR 25 HB THR 25 6.772 8.218 -3.518 203 HG1 THR 25 1HG THR 25 4.226 8.794 -2.383 204 1HG2 THR 25 1HG2 THR 25 4.153 8.469 -5.011 205 2HG2 THR 25 2HG2 THR 25 5.678 7.885 -5.679 206 3HG2 THR 25 3HG2 THR 25 5.529 9.564 -5.157 207 H ASP 26 H ASP 26 7.709 6.750 -2.432 208 HA ASP 26 HA ASP 26 7.618 5.038 -0.219 209 1HB ASP 26 2HB ASP 26 9.492 7.301 -0.907 210 2HB ASP 26 1HB ASP 26 9.707 6.315 0.534 211 H ASP 27 H ASP 27 7.204 8.544 -0.426 212 HA ASP 27 HA ASP 27 7.062 9.217 2.248 213 1HB ASP 27 2HB ASP 27 6.979 10.947 0.608 214 2HB ASP 27 1HB ASP 27 5.505 10.302 -0.101 215 H ASP 28 H ASP 28 4.393 8.211 0.140 216 HA ASP 28 HA ASP 28 2.342 8.394 2.034 217 1HB ASP 28 2HB ASP 28 2.506 6.453 -0.278 218 2HB ASP 28 1HB ASP 28 1.045 6.981 0.533 219 H MET 29 H MET 29 4.315 5.668 1.000 220 HA MET 29 HA MET 29 2.922 3.794 2.619 221 1HB MET 29 2HB MET 29 5.529 3.612 1.120 222 2HB MET 29 1HB MET 29 4.718 2.256 1.888 223 1HG MET 29 2HG MET 29 2.827 2.468 0.454 224 2HG MET 29 1HG MET 29 3.452 3.971 -0.221 225 1HE MET 29 1HE MET 29 2.977 2.998 -2.623 226 2HE MET 29 2HE MET 29 2.421 1.469 -1.941 227 3HE MET 29 3HE MET 29 3.639 1.477 -3.218 228 H THR 30 H THR 30 5.579 5.922 3.212 229 HA THR 30 HA THR 30 6.496 4.544 5.561 230 HB THR 30 HB THR 30 6.892 7.454 4.809 231 HG1 THR 30 1HG THR 30 7.772 6.126 3.207 232 1HG2 THR 30 1HG2 THR 30 8.870 7.305 6.271 233 2HG2 THR 30 2HG2 THR 30 8.407 5.661 6.713 234 3HG2 THR 30 3HG2 THR 30 7.374 7.019 7.159 235 H ILE 31 H ILE 31 4.008 6.849 4.770 236 HA ILE 31 HA ILE 31 3.397 7.555 7.500 237 HB ILE 31 HB ILE 31 1.398 7.775 5.270 238 1HG1 ILE 31 2HG1 ILE 31 3.758 9.646 5.669 239 2HG1 ILE 31 1HG1 ILE 31 3.457 8.615 4.279 240 1HG2 ILE 31 1HG2 ILE 31 0.747 9.801 6.467 241 2HG2 ILE 31 2HG2 ILE 31 2.044 9.532 7.630 242 3HG2 ILE 31 3HG2 ILE 31 0.710 8.384 7.515 243 1HD1 ILE 31 1HD1 ILE 31 1.722 10.909 5.151 244 2HD1 ILE 31 2HD1 ILE 31 1.465 9.882 3.740 245 3HD1 ILE 31 3HD1 ILE 31 2.884 10.927 3.822 246 H ILE 32 H ILE 32 2.626 5.030 5.290 247 HA ILE 32 HA ILE 32 0.203 4.227 6.660 248 HB ILE 32 HB ILE 32 1.635 2.828 4.387 249 1HG1 ILE 32 2HG1 ILE 32 -0.736 4.702 4.286 250 2HG1 ILE 32 1HG1 ILE 32 0.902 5.131 3.805 251 1HG2 ILE 32 1HG2 ILE 32 0.124 1.366 5.623 252 2HG2 ILE 32 2HG2 ILE 32 -0.522 1.723 4.018 253 3HG2 ILE 32 3HG2 ILE 32 -1.182 2.541 5.435 254 1HD1 ILE 32 1HD1 ILE 32 -0.462 4.625 1.872 255 2HD1 ILE 32 2HD1 ILE 32 -0.826 3.029 2.526 256 3HD1 ILE 32 3HD1 ILE 32 0.823 3.430 2.052 257 H GLU 33 H GLU 33 3.411 2.821 5.966 258 HA GLU 33 HA GLU 33 4.740 1.408 7.117 259 1HB GLU 33 2HB GLU 33 4.542 2.729 9.051 260 2HB GLU 33 1HB GLU 33 2.868 2.275 9.304 261 1HG GLU 33 2HG GLU 33 4.903 0.141 9.487 262 2HG GLU 33 1HG GLU 33 4.849 1.338 10.780 263 H GLY 34 H GLY 34 1.433 0.683 8.175 264 1HA GLY 34 2HA GLY 34 1.176 -1.672 6.671 265 2HA GLY 34 1HA GLY 34 1.743 -2.099 8.285 266 H LYS 35 H LYS 35 -0.151 0.727 7.883 267 HA LYS 35 HA LYS 35 -2.243 -0.452 9.506 268 1HB LYS 35 2HB LYS 35 -1.814 2.387 8.569 269 2HB LYS 35 1HB LYS 35 -3.090 1.866 9.664 270 1HG LYS 35 2HG LYS 35 -1.475 1.213 11.317 271 2HG LYS 35 1HG LYS 35 -0.147 1.568 10.209 272 1HD LYS 35 2HD LYS 35 -0.868 3.920 10.158 273 2HD LYS 35 1HD LYS 35 -2.124 3.548 11.335 274 1HE LYS 35 2HE LYS 35 -0.189 4.529 12.427 275 2HE LYS 35 1HE LYS 35 -0.419 2.861 12.943 276 1HZ LYS 35 1HZ LYS 35 1.541 3.772 10.906 277 2HZ LYS 35 2HZ LYS 35 1.343 2.175 11.435 278 3HZ LYS 35 3HZ LYS 35 1.909 3.364 12.508 279 H ARG 36 H ARG 36 -4.116 -1.070 8.799 280 HA ARG 36 HA ARG 36 -4.645 -1.351 6.035 281 1HB ARG 36 2HB ARG 36 -5.406 -2.823 7.969 282 2HB ARG 36 1HB ARG 36 -6.638 -1.614 8.287 283 1HG ARG 36 2HG ARG 36 -6.404 -2.895 5.594 284 2HG ARG 36 1HG ARG 36 -7.243 -3.706 6.917 285 1HD ARG 36 2HD ARG 36 -8.572 -1.534 7.155 286 2HD ARG 36 1HD ARG 36 -7.924 -1.110 5.570 287 HE ARG 36 HE ARG 36 -9.012 -3.676 5.392 288 1HH1 ARG 36 1HH1 ARG 36 -10.098 -0.398 5.952 289 2HH1 ARG 36 2HH1 ARG 36 -11.686 -0.675 5.294 290 1HH2 ARG 36 1HH2 ARG 36 -11.109 -4.059 4.559 291 2HH2 ARG 36 2HH2 ARG 36 -12.255 -2.752 4.512 292 H ASP 37 H ASP 37 -5.949 0.767 8.539 293 HA ASP 37 HA ASP 37 -7.899 2.053 6.968 294 1HB ASP 37 2HB ASP 37 -7.886 2.123 9.424 295 2HB ASP 37 1HB ASP 37 -6.409 3.080 9.391 296 H GLN 38 H GLN 38 -4.524 2.865 7.661 297 HA GLN 38 HA GLN 38 -4.499 5.396 6.477 298 1HB GLN 38 2HB GLN 38 -2.524 3.519 7.483 299 2HB GLN 38 1HB GLN 38 -1.932 4.414 6.090 300 1HG GLN 38 2HG GLN 38 -3.094 5.641 8.581 301 2HG GLN 38 1HG GLN 38 -1.375 5.499 8.215 302 1HE2 GLN 38 1HE2 GLN 38 -3.099 7.861 8.647 303 2HE2 GLN 38 2HE2 GLN 38 -2.887 8.846 7.243 304 H LEU 39 H LEU 39 -3.860 2.197 5.051 305 HA LEU 39 HA LEU 39 -3.074 3.183 2.528 306 1HB LEU 39 2HB LEU 39 -2.696 0.855 3.142 307 2HB LEU 39 1HB LEU 39 -4.429 0.569 3.186 308 HG LEU 39 HG LEU 39 -4.511 1.172 0.745 309 1HD1 LEU 39 1HD1 LEU 39 -1.513 0.981 0.977 310 2HD1 LEU 39 2HD1 LEU 39 -2.443 2.431 0.594 311 3HD1 LEU 39 3HD1 LEU 39 -2.430 1.068 -0.529 312 1HD2 LEU 39 1HD2 LEU 39 -2.854 -1.187 1.584 313 2HD2 LEU 39 2HD2 LEU 39 -3.535 -0.960 -0.026 314 3HD2 LEU 39 3HD2 LEU 39 -4.604 -1.126 1.368 315 H VAL 40 H VAL 40 -6.261 2.261 3.810 316 HA VAL 40 HA VAL 40 -7.777 2.679 1.509 317 HB VAL 40 HB VAL 40 -8.532 3.192 4.394 318 1HG1 VAL 40 1HG1 VAL 40 -10.870 3.088 3.632 319 2HG1 VAL 40 2HG1 VAL 40 -10.311 3.037 1.959 320 3HG1 VAL 40 3HG1 VAL 40 -10.011 4.469 2.947 321 1HG2 VAL 40 1HG2 VAL 40 -7.955 0.886 3.918 322 2HG2 VAL 40 2HG2 VAL 40 -9.061 0.875 2.543 323 3HG2 VAL 40 3HG2 VAL 40 -9.693 1.040 4.181 324 H GLY 41 H GLY 41 -6.834 4.992 4.034 325 1HA GLY 41 2HA GLY 41 -7.986 7.285 2.914 326 2HA GLY 41 1HA GLY 41 -6.568 7.274 3.953 327 H LYS 42 H LYS 42 -4.712 5.979 2.474 328 HA LYS 42 HA LYS 42 -3.819 8.015 0.771 329 1HB LYS 42 2HB LYS 42 -2.866 5.298 1.472 330 2HB LYS 42 1HB LYS 42 -2.178 6.045 0.043 331 1HG LYS 42 2HG LYS 42 -2.055 6.995 2.891 332 2HG LYS 42 1HG LYS 42 -0.720 6.570 1.815 333 1HD LYS 42 2HD LYS 42 -1.268 8.511 0.402 334 2HD LYS 42 1HD LYS 42 -2.563 8.946 1.515 335 1HE LYS 42 2HE LYS 42 -0.779 9.035 3.318 336 2HE LYS 42 1HE LYS 42 0.394 8.969 1.999 337 1HZ LYS 42 1HZ LYS 42 -1.757 11.005 2.175 338 2HZ LYS 42 2HZ LYS 42 -0.435 10.990 1.114 339 3HZ LYS 42 3HZ LYS 42 -0.190 11.256 2.766 340 H ILE 43 H ILE 43 -5.293 4.894 0.009 341 HA ILE 43 HA ILE 43 -5.140 5.028 -2.775 342 HB ILE 43 HB ILE 43 -7.381 3.936 -1.061 343 1HG1 ILE 43 2HG1 ILE 43 -5.182 2.424 -2.471 344 2HG1 ILE 43 1HG1 ILE 43 -5.034 2.975 -0.807 345 1HG2 ILE 43 1HG2 ILE 43 -8.163 4.341 -3.336 346 2HG2 ILE 43 2HG2 ILE 43 -8.029 2.613 -3.011 347 3HG2 ILE 43 3HG2 ILE 43 -6.797 3.427 -3.976 348 1HD1 ILE 43 1HD1 ILE 43 -5.715 0.648 -0.908 349 2HD1 ILE 43 2HD1 ILE 43 -7.132 1.091 -1.860 350 3HD1 ILE 43 3HD1 ILE 43 -6.983 1.641 -0.191 351 H GLN 44 H GLN 44 -7.599 6.353 -0.592 352 HA GLN 44 HA GLN 44 -9.217 7.523 -2.603 353 1HB GLN 44 2HB GLN 44 -8.954 8.290 0.307 354 2HB GLN 44 1HB GLN 44 -10.264 8.756 -0.763 355 1HG GLN 44 2HG GLN 44 -10.946 6.419 -0.948 356 2HG GLN 44 1HG GLN 44 -9.608 5.949 0.097 357 1HE2 GLN 44 1HE2 GLN 44 -9.689 6.390 2.267 358 2HE2 GLN 44 2HE2 GLN 44 -11.143 6.868 3.070 359 H GLU 45 H GLU 45 -6.232 8.448 -1.224 360 HA GLU 45 HA GLU 45 -6.622 11.293 -1.732 361 1HB GLU 45 2HB GLU 45 -4.340 9.723 -0.551 362 2HB GLU 45 1HB GLU 45 -4.218 11.435 -0.917 363 1HG GLU 45 2HG GLU 45 -6.087 11.865 0.630 364 2HG GLU 45 1HG GLU 45 -6.106 10.148 1.039 365 H ARG 46 H ARG 46 -4.368 8.736 -2.732 366 HA ARG 46 HA ARG 46 -2.944 10.495 -4.465 367 1HB ARG 46 2HB ARG 46 -2.317 8.178 -3.224 368 2HB ARG 46 1HB ARG 46 -2.639 7.583 -4.849 369 1HG ARG 46 2HG ARG 46 -0.323 8.053 -4.710 370 2HG ARG 46 1HG ARG 46 -1.053 9.317 -5.702 371 1HD ARG 46 2HD ARG 46 -1.234 10.535 -3.358 372 2HD ARG 46 1HD ARG 46 0.108 9.465 -2.970 373 HE ARG 46 HE ARG 46 0.257 11.154 -5.368 374 1HH1 ARG 46 1HH1 ARG 46 1.485 10.299 -2.191 375 2HH1 ARG 46 2HH1 ARG 46 2.887 11.313 -2.341 376 1HH2 ARG 46 1HH2 ARG 46 2.086 12.480 -5.542 377 2HH2 ARG 46 2HH2 ARG 46 3.235 12.542 -4.243 378 H TYR 47 H TYR 47 -5.378 7.986 -4.943 379 HA TYR 47 HA TYR 47 -5.438 8.517 -7.813 380 1HB TYR 47 2HB TYR 47 -7.077 6.707 -6.042 381 2HB TYR 47 1HB TYR 47 -7.367 6.906 -7.758 382 HD1 TYR 47 1HD TYR 47 -5.725 6.100 -9.391 383 HD2 TYR 47 2HD TYR 47 -5.348 5.303 -5.233 384 HE1 TYR 47 1HE TYR 47 -4.230 4.224 -9.891 385 HE2 TYR 47 2HE TYR 47 -3.847 3.439 -5.720 386 HH TYR 47 HH TYR 47 -3.535 1.842 -7.778 387 H GLY 48 H GLY 48 -7.445 8.862 -4.961 388 1HA GLY 48 2HA GLY 48 -9.050 10.593 -4.611 389 2HA GLY 48 1HA GLY 48 -9.121 10.832 -6.354 390 H TYR 49 H TYR 49 -9.229 7.707 -4.778 391 HA TYR 49 HA TYR 49 -11.645 7.017 -6.178 392 1HB TYR 49 2HB TYR 49 -9.818 5.530 -4.318 393 2HB TYR 49 1HB TYR 49 -11.362 4.849 -4.814 394 HD1 TYR 49 1HD TYR 49 -8.257 4.162 -5.327 395 HD2 TYR 49 2HD TYR 49 -11.459 5.727 -7.649 396 HE1 TYR 49 1HE TYR 49 -7.221 3.253 -7.368 397 HE2 TYR 49 2HE TYR 49 -10.425 4.838 -9.695 398 HH TYR 49 HH TYR 49 -7.786 2.623 -9.598 399 H GLN 50 H GLN 50 -13.372 5.816 -5.026 400 HA GLN 50 HA GLN 50 -14.384 7.293 -2.771 401 1HB GLN 50 2HB GLN 50 -15.450 4.867 -4.229 402 2HB GLN 50 1HB GLN 50 -16.319 5.749 -2.981 403 1HG GLN 50 2HG GLN 50 -15.426 6.895 -5.617 404 2HG GLN 50 1HG GLN 50 -17.056 6.329 -5.246 405 1HE2 GLN 50 1HE2 GLN 50 -18.336 7.507 -3.827 406 2HE2 GLN 50 2HE2 GLN 50 -17.979 9.154 -3.420 407 H LYS 51 H LYS 51 -14.852 6.345 -0.711 408 HA LYS 51 HA LYS 51 -12.884 4.669 0.368 409 1HB LYS 51 2HB LYS 51 -14.302 6.177 1.713 410 2HB LYS 51 1HB LYS 51 -15.695 5.152 1.384 411 1HG LYS 51 2HG LYS 51 -14.701 3.330 2.598 412 2HG LYS 51 1HG LYS 51 -13.214 4.252 2.827 413 1HD LYS 51 2HD LYS 51 -14.555 5.954 4.071 414 2HD LYS 51 1HD LYS 51 -15.936 4.859 3.965 415 1HE LYS 51 2HE LYS 51 -13.299 4.054 5.149 416 2HE LYS 51 1HE LYS 51 -14.590 4.774 6.107 417 1HZ LYS 51 1HZ LYS 51 -14.777 2.244 4.552 418 2HZ LYS 51 2HZ LYS 51 -16.029 2.936 5.464 419 3HZ LYS 51 3HZ LYS 51 -14.634 2.366 6.239 420 H ASP 52 H ASP 52 -16.021 4.020 -0.971 421 HA ASP 52 HA ASP 52 -16.408 1.343 -0.388 422 1HB ASP 52 2HB ASP 52 -18.043 2.781 -1.556 423 2HB ASP 52 1HB ASP 52 -17.020 2.789 -2.982 424 H GLN 53 H GLN 53 -14.812 2.695 -3.286 425 HA GLN 53 HA GLN 53 -14.035 0.125 -4.239 426 1HB GLN 53 2HB GLN 53 -14.385 2.004 -5.776 427 2HB GLN 53 1HB GLN 53 -13.044 2.863 -5.033 428 1HG GLN 53 2HG GLN 53 -11.474 1.222 -5.796 429 2HG GLN 53 1HG GLN 53 -12.772 0.185 -6.379 430 1HE2 GLN 53 1HE2 GLN 53 -10.478 1.292 -7.781 431 2HE2 GLN 53 2HE2 GLN 53 -11.136 2.198 -9.109 432 H ALA 54 H ALA 54 -12.502 2.643 -2.349 433 HA ALA 54 HA ALA 54 -9.847 1.826 -2.527 434 1HB ALA 54 1HB ALA 54 -9.482 3.036 -0.447 435 2HB ALA 54 2HB ALA 54 -11.221 3.082 -0.153 436 3HB ALA 54 3HB ALA 54 -10.534 3.953 -1.526 437 H GLU 55 H GLU 55 -12.335 0.866 -0.163 438 HA GLU 55 HA GLU 55 -10.598 -0.899 1.232 439 1HB GLU 55 2HB GLU 55 -13.613 -0.736 1.198 440 2HB GLU 55 1HB GLU 55 -12.683 -1.753 2.291 441 1HG GLU 55 2HG GLU 55 -11.545 0.318 3.105 442 2HG GLU 55 1HG GLU 55 -12.701 1.248 2.152 443 H LYS 56 H LYS 56 -12.834 -1.308 -1.448 444 HA LYS 56 HA LYS 56 -12.823 -4.127 -1.477 445 1HB LYS 56 2HB LYS 56 -13.329 -2.088 -3.633 446 2HB LYS 56 1HB LYS 56 -13.448 -3.820 -3.925 447 1HG LYS 56 2HG LYS 56 -15.195 -4.041 -2.306 448 2HG LYS 56 1HG LYS 56 -14.997 -2.365 -1.799 449 1HD LYS 56 2HD LYS 56 -15.754 -1.585 -3.958 450 2HD LYS 56 1HD LYS 56 -15.854 -3.245 -4.553 451 1HE LYS 56 2HE LYS 56 -17.622 -3.756 -3.024 452 2HE LYS 56 1HE LYS 56 -17.424 -2.211 -2.198 453 1HZ LYS 56 1HZ LYS 56 -19.330 -2.291 -3.750 454 2HZ LYS 56 2HZ LYS 56 -18.238 -2.472 -5.042 455 3HZ LYS 56 3HZ LYS 56 -18.216 -1.059 -4.101 456 H GLU 57 H GLU 57 -10.736 -1.753 -3.118 457 HA GLU 57 HA GLU 57 -9.094 -3.671 -4.393 458 1HB GLU 57 2HB GLU 57 -8.560 -0.817 -3.565 459 2HB GLU 57 1HB GLU 57 -7.392 -1.791 -4.447 460 1HG GLU 57 2HG GLU 57 -9.138 -2.111 -6.212 461 2HG GLU 57 1HG GLU 57 -10.115 -0.916 -5.364 462 H VAL 58 H VAL 58 -9.061 -2.211 -1.199 463 HA VAL 58 HA VAL 58 -6.597 -3.208 -0.317 464 HB VAL 58 HB VAL 58 -9.110 -2.602 1.250 465 1HG1 VAL 58 1HG1 VAL 58 -7.819 -4.251 2.482 466 2HG1 VAL 58 2HG1 VAL 58 -7.690 -2.675 3.261 467 3HG1 VAL 58 3HG1 VAL 58 -6.356 -3.287 2.281 468 1HG2 VAL 58 1HG2 VAL 58 -7.886 -0.616 1.947 469 2HG2 VAL 58 2HG2 VAL 58 -8.020 -0.684 0.190 470 3HG2 VAL 58 3HG2 VAL 58 -6.501 -1.114 0.978 471 H VAL 59 H VAL 59 -9.877 -4.614 0.008 472 HA VAL 59 HA VAL 59 -9.149 -6.852 1.506 473 HB VAL 59 HB VAL 59 -11.401 -6.639 -0.501 474 1HG1 VAL 59 1HG1 VAL 59 -11.048 -8.555 1.801 475 2HG1 VAL 59 2HG1 VAL 59 -10.917 -8.957 0.090 476 3HG1 VAL 59 3HG1 VAL 59 -12.464 -8.436 0.757 477 1HG2 VAL 59 1HG2 VAL 59 -12.787 -6.096 1.453 478 2HG2 VAL 59 2HG2 VAL 59 -11.523 -4.898 1.178 479 3HG2 VAL 59 3HG2 VAL 59 -11.342 -6.090 2.464 480 H ASP 60 H ASP 60 -9.348 -6.497 -2.017 481 HA ASP 60 HA ASP 60 -8.879 -9.164 -2.723 482 1HB ASP 60 2HB ASP 60 -9.633 -7.386 -4.288 483 2HB ASP 60 1HB ASP 60 -8.028 -6.673 -4.223 484 H TRP 61 H TRP 61 -6.546 -6.481 -2.692 485 HA TRP 61 HA TRP 61 -4.341 -8.222 -3.151 486 1HB TRP 61 2HB TRP 61 -4.427 -5.875 -3.927 487 2HB TRP 61 1HB TRP 61 -4.340 -5.338 -2.251 488 HD1 TRP 61 HD TRP 61 -2.186 -7.084 -4.930 489 HE1 TRP 61 1HE TRP 61 0.288 -6.782 -4.282 490 HE3 TRP 61 3HE TRP 61 -2.827 -4.890 -0.370 491 HZ2 TRP 61 2HZ TRP 61 1.760 -5.747 -2.106 492 HZ3 TRP 61 3HZ TRP 61 -0.838 -4.276 0.933 493 HH2 TRP 61 HH TRP 61 1.409 -4.698 0.078 494 H GLU 62 H GLU 62 -5.924 -7.019 -0.326 495 HA GLU 62 HA GLU 62 -3.893 -7.394 1.582 496 1HB GLU 62 2HB GLU 62 -6.002 -6.223 2.086 497 2HB GLU 62 1HB GLU 62 -6.882 -7.735 1.911 498 1HG GLU 62 2HG GLU 62 -6.638 -7.406 4.215 499 2HG GLU 62 1HG GLU 62 -5.448 -8.635 3.785 500 H THR 63 H THR 63 -6.573 -9.541 0.627 501 HA THR 63 HA THR 63 -5.717 -11.641 2.309 502 HB THR 63 HB THR 63 -8.057 -11.260 1.349 503 HG1 THR 63 1HG THR 63 -7.018 -13.255 2.423 504 1HG2 THR 63 1HG2 THR 63 -7.490 -11.160 -1.019 505 2HG2 THR 63 2HG2 THR 63 -8.575 -12.515 -0.705 506 3HG2 THR 63 3HG2 THR 63 -6.853 -12.804 -0.955 507 H ARG 64 H ARG 64 -4.769 -10.669 -0.871 508 HA ARG 64 HA ARG 64 -3.506 -13.009 -1.750 509 1HB ARG 64 2HB ARG 64 -2.920 -10.091 -2.145 510 2HB ARG 64 1HB ARG 64 -1.842 -11.313 -2.800 511 1HG ARG 64 2HG ARG 64 -3.649 -12.235 -4.125 512 2HG ARG 64 1HG ARG 64 -4.776 -11.068 -3.425 513 1HD ARG 64 2HD ARG 64 -3.758 -9.260 -4.499 514 2HD ARG 64 1HD ARG 64 -2.284 -10.167 -4.828 515 HE ARG 64 HE ARG 64 -4.178 -11.509 -6.240 516 1HH1 ARG 64 1HH1 ARG 64 -3.267 -8.137 -6.068 517 2HH1 ARG 64 2HH1 ARG 64 -3.585 -7.814 -7.743 518 1HH2 ARG 64 1HH2 ARG 64 -4.585 -11.112 -8.460 519 2HH2 ARG 64 2HH2 ARG 64 -4.363 -9.509 -9.108 520 H ASN 65 H ASN 65 -2.419 -10.530 0.524 521 HA ASN 65 HA ASN 65 0.131 -11.961 0.853 522 1HB ASN 65 2HB ASN 65 -0.645 -9.135 1.586 523 2HB ASN 65 1HB ASN 65 0.916 -9.861 1.948 524 1HD2 ASN 65 1HD2 ASN 65 -1.179 -8.656 -0.560 525 2HD2 ASN 65 2HD2 ASN 65 0.021 -8.600 -1.804 526 H GLU 66 H GLU 66 -2.068 -10.067 2.900 527 HA GLU 66 HA GLU 66 -3.287 -10.705 4.739 528 1HB GLU 66 2HB GLU 66 -1.687 -13.249 4.546 529 2HB GLU 66 1HB GLU 66 -2.734 -12.909 5.917 530 1HG GLU 66 2HG GLU 66 -3.710 -12.907 3.073 531 2HG GLU 66 1HG GLU 66 -3.706 -14.347 4.090 532 H TYR 67 H TYR 67 0.201 -11.052 4.707 533 HA TYR 67 HA TYR 67 0.435 -10.585 7.537 534 1HB TYR 67 2HB TYR 67 2.055 -11.968 6.181 535 2HB TYR 67 1HB TYR 67 2.644 -10.463 5.483 536 HD1 TYR 67 1HD TYR 67 2.030 -12.009 8.829 537 HD2 TYR 67 2HD TYR 67 4.461 -9.428 6.482 538 HE1 TYR 67 1HE TYR 67 3.569 -11.748 10.728 539 HE2 TYR 67 2HE TYR 67 6.012 -9.160 8.372 540 HH TYR 67 HH TYR 67 6.044 -9.373 10.776 541 H ARG 68 H ARG 68 -0.746 -8.613 7.651 542 HA ARG 68 HA ARG 68 0.992 -6.299 7.086 543 1HB ARG 68 2HB ARG 68 -1.053 -6.377 5.611 544 2HB ARG 68 1HB ARG 68 -2.033 -6.231 7.064 545 1HG ARG 68 2HG ARG 68 -0.762 -4.101 7.549 546 2HG ARG 68 1HG ARG 68 -0.116 -4.226 5.913 547 1HD ARG 68 2HD ARG 68 -3.006 -3.958 6.721 548 2HD ARG 68 1HD ARG 68 -2.016 -2.761 5.888 549 HE ARG 68 HE ARG 68 -2.880 -5.336 4.717 550 1HH1 ARG 68 1HH1 ARG 68 -2.017 -1.954 4.393 551 2HH1 ARG 68 2HH1 ARG 68 -2.353 -1.907 2.696 552 1HH2 ARG 68 1HH2 ARG 68 -3.320 -5.292 2.529 553 2HH2 ARG 68 2HH2 ARG 68 -3.110 -3.826 1.618 554 H TRP 69 H TRP 69 -1.409 -7.815 9.106 555 HA TRP 69 HA TRP 69 -1.852 -7.766 11.313 556 1HB TRP 69 2HB TRP 69 0.702 -7.586 11.488 557 2HB TRP 69 1HB TRP 69 0.447 -5.864 11.742 558 HD1 TRP 69 HD TRP 69 -0.818 -5.145 14.034 559 HE1 TRP 69 1HE TRP 69 -0.990 -6.346 16.305 560 HE3 TRP 69 3HE TRP 69 0.547 -9.841 12.556 561 HZ2 TRP 69 2HZ TRP 69 -0.597 -8.951 17.327 562 HZ3 TRP 69 3HZ TRP 69 0.626 -11.632 14.240 563 HH2 TRP 69 HH TRP 69 0.065 -11.196 16.576 Start of MODEL 17 1 1H MET 1 1HT MET 1 -4.397 -10.624 22.233 2 2H MET 1 2HT MET 1 -4.295 -9.381 21.082 3 3H MET 1 3HT MET 1 -3.548 -9.199 22.588 4 HA MET 1 HA MET 1 -1.988 -10.905 22.125 5 1HB MET 1 2HB MET 1 -1.913 -12.053 19.994 6 2HB MET 1 1HB MET 1 -3.486 -12.307 20.732 7 1HG MET 1 2HG MET 1 -2.920 -10.287 18.575 8 2HG MET 1 1HG MET 1 -3.561 -11.904 18.291 9 1HE MET 1 1HE MET 1 -6.680 -9.682 17.595 10 2HE MET 1 2HE MET 1 -5.636 -10.965 16.986 11 3HE MET 1 3HE MET 1 -5.000 -9.332 17.186 12 H ASN 2 H ASN 2 -0.003 -10.336 21.195 13 HA ASN 2 HA ASN 2 0.069 -7.563 20.415 14 1HB ASN 2 2HB ASN 2 2.485 -7.717 20.755 15 2HB ASN 2 1HB ASN 2 1.613 -8.354 22.141 16 1HD2 ASN 2 1HD2 ASN 2 4.349 -8.818 21.244 17 2HD2 ASN 2 2HD2 ASN 2 4.503 -10.533 21.036 18 H LYS 3 H LYS 3 0.104 -6.900 18.387 19 HA LYS 3 HA LYS 3 1.149 -8.662 16.307 20 1HB LYS 3 2HB LYS 3 -0.953 -7.303 15.920 21 2HB LYS 3 1HB LYS 3 0.057 -5.863 15.947 22 1HG LYS 3 2HG LYS 3 1.368 -6.794 14.069 23 2HG LYS 3 1HG LYS 3 0.254 -8.157 14.006 24 1HD LYS 3 2HD LYS 3 -0.566 -6.757 12.358 25 2HD LYS 3 1HD LYS 3 -1.573 -6.344 13.744 26 1HE LYS 3 2HE LYS 3 -0.867 -4.343 12.588 27 2HE LYS 3 1HE LYS 3 -0.133 -4.401 14.190 28 1HZ LYS 3 1HZ LYS 3 1.184 -5.043 11.601 29 2HZ LYS 3 2HZ LYS 3 1.916 -5.240 13.116 30 3HZ LYS 3 3HZ LYS 3 1.486 -3.690 12.578 31 H ASP 4 H ASP 4 3.190 -8.470 15.531 32 HA ASP 4 HA ASP 4 4.991 -6.480 16.483 33 1HB ASP 4 2HB ASP 4 5.412 -8.853 15.304 34 2HB ASP 4 1HB ASP 4 5.504 -7.836 13.870 35 H GLU 5 H GLU 5 5.860 -4.682 15.223 36 HA GLU 5 HA GLU 5 3.915 -3.768 13.206 37 1HB GLU 5 2HB GLU 5 4.177 -2.474 15.435 38 2HB GLU 5 1HB GLU 5 5.714 -1.931 14.775 39 1HG GLU 5 2HG GLU 5 4.196 -0.230 14.265 40 2HG GLU 5 1HG GLU 5 4.399 -1.128 12.761 41 H ALA 6 H ALA 6 4.727 -4.062 11.266 42 HA ALA 6 HA ALA 6 6.060 -4.019 9.459 43 1HB ALA 6 1HB ALA 6 6.387 -1.659 9.946 44 2HB ALA 6 2HB ALA 6 7.858 -2.374 9.289 45 3HB ALA 6 3HB ALA 6 7.734 -2.052 11.018 46 H GLY 7 H GLY 7 8.499 -3.753 12.056 47 1HA GLY 7 2HA GLY 7 10.303 -5.081 12.560 48 2HA GLY 7 1HA GLY 7 9.271 -6.429 12.105 49 H GLY 8 H GLY 8 10.285 -3.842 9.958 50 1HA GLY 8 2HA GLY 8 12.088 -3.942 8.406 51 2HA GLY 8 1HA GLY 8 12.150 -5.683 8.631 52 H ASN 9 H ASN 9 8.980 -5.337 8.363 53 HA ASN 9 HA ASN 9 8.972 -6.224 5.658 54 1HB ASN 9 2HB ASN 9 6.638 -6.556 5.863 55 2HB ASN 9 1HB ASN 9 7.306 -6.929 7.439 56 1HD2 ASN 9 1HD2 ASN 9 5.385 -6.615 8.523 57 2HD2 ASN 9 2HD2 ASN 9 4.655 -5.063 8.722 58 H TRP 10 H TRP 10 8.941 -3.146 7.042 59 HA TRP 10 HA TRP 10 7.145 -1.769 5.446 60 1HB TRP 10 2HB TRP 10 8.358 0.276 6.100 61 2HB TRP 10 1HB TRP 10 8.052 -0.783 7.467 62 HD1 TRP 10 HD TRP 10 10.236 -2.176 8.407 63 HE1 TRP 10 1HE TRP 10 12.723 -1.505 8.455 64 HE3 TRP 10 3HE TRP 10 10.129 1.536 4.891 65 HZ2 TRP 10 2HZ TRP 10 14.408 0.364 7.164 66 HZ3 TRP 10 3HZ TRP 10 12.220 2.718 4.358 67 HH2 TRP 10 HH TRP 10 14.314 2.144 5.472 68 H LYS 11 H LYS 11 10.648 -2.228 4.935 69 HA LYS 11 HA LYS 11 10.778 -0.650 2.607 70 1HB LYS 11 2HB LYS 11 12.748 -1.383 3.968 71 2HB LYS 11 1HB LYS 11 12.554 -2.998 3.300 72 1HG LYS 11 2HG LYS 11 12.799 -1.934 1.016 73 2HG LYS 11 1HG LYS 11 13.312 -0.474 1.863 74 1HD LYS 11 2HD LYS 11 15.265 -1.714 1.206 75 2HD LYS 11 1HD LYS 11 15.099 -1.806 2.959 76 1HE LYS 11 2HE LYS 11 14.133 -4.019 2.783 77 2HE LYS 11 1HE LYS 11 14.178 -3.924 1.025 78 1HZ LYS 11 1HZ LYS 11 16.579 -3.835 1.113 79 2HZ LYS 11 2HZ LYS 11 16.012 -5.222 1.909 80 3HZ LYS 11 3HZ LYS 11 16.553 -3.887 2.807 81 H GLN 12 H GLN 12 9.893 -3.969 3.165 82 HA GLN 12 HA GLN 12 10.151 -4.758 0.413 83 1HB GLN 12 2HB GLN 12 10.479 -6.285 2.396 84 2HB GLN 12 1HB GLN 12 8.737 -6.235 2.633 85 1HG GLN 12 2HG GLN 12 8.413 -7.184 0.402 86 2HG GLN 12 1HG GLN 12 10.161 -7.254 0.185 87 1HE2 GLN 12 1HE2 GLN 12 8.244 -9.401 0.124 88 2HE2 GLN 12 2HE2 GLN 12 8.708 -10.517 1.359 89 H PHE 13 H PHE 13 7.454 -4.029 2.630 90 HA PHE 13 HA PHE 13 5.550 -4.557 0.537 91 1HB PHE 13 2HB PHE 13 5.221 -3.733 3.400 92 2HB PHE 13 1HB PHE 13 3.855 -3.783 2.278 93 HD1 PHE 13 1HD PHE 13 2.731 -5.810 1.901 94 HD2 PHE 13 2HD PHE 13 6.676 -5.811 3.503 95 HE1 PHE 13 1HE PHE 13 2.651 -8.241 2.114 96 HE2 PHE 13 2HE PHE 13 6.592 -8.224 3.737 97 HZ PHE 13 HZ PHE 13 4.572 -9.474 3.049 98 H LYS 14 H LYS 14 7.348 -1.917 1.514 99 HA LYS 14 HA LYS 14 5.741 0.127 0.403 100 1HB LYS 14 2HB LYS 14 8.744 -0.195 0.489 101 2HB LYS 14 1HB LYS 14 7.981 1.188 -0.285 102 1HG LYS 14 2HG LYS 14 6.738 1.355 2.038 103 2HG LYS 14 1HG LYS 14 8.165 0.482 2.592 104 1HD LYS 14 2HD LYS 14 8.230 3.067 1.040 105 2HD LYS 14 1HD LYS 14 8.354 2.950 2.793 106 1HE LYS 14 2HE LYS 14 10.373 1.551 2.510 107 2HE LYS 14 1HE LYS 14 10.265 1.800 0.767 108 1HZ LYS 14 1HZ LYS 14 10.601 3.943 2.796 109 2HZ LYS 14 2HZ LYS 14 10.512 4.181 1.122 110 3HZ LYS 14 3HZ LYS 14 11.827 3.338 1.793 111 H GLY 15 H GLY 15 7.932 -2.234 -1.036 112 1HA GLY 15 2HA GLY 15 7.390 -1.435 -3.729 113 2HA GLY 15 1HA GLY 15 8.184 -2.917 -3.221 114 H LYS 16 H LYS 16 6.129 -3.956 -1.576 115 HA LYS 16 HA LYS 16 4.665 -5.328 -3.548 116 1HB LYS 16 2HB LYS 16 5.090 -5.600 -0.766 117 2HB LYS 16 1HB LYS 16 3.352 -5.617 -1.024 118 1HG LYS 16 2HG LYS 16 4.326 -7.860 -1.087 119 2HG LYS 16 1HG LYS 16 3.596 -7.417 -2.636 120 1HD LYS 16 2HD LYS 16 5.928 -6.633 -3.305 121 2HD LYS 16 1HD LYS 16 6.504 -7.515 -1.895 122 1HE LYS 16 2HE LYS 16 5.703 -9.582 -2.762 123 2HE LYS 16 1HE LYS 16 4.834 -8.767 -4.062 124 1HZ LYS 16 1HZ LYS 16 6.893 -8.106 -5.048 125 2HZ LYS 16 2HZ LYS 16 6.946 -9.784 -4.778 126 3HZ LYS 16 3HZ LYS 16 7.784 -8.732 -3.748 127 H VAL 17 H VAL 17 3.544 -2.874 -1.183 128 HA VAL 17 HA VAL 17 0.921 -2.772 -2.248 129 HB VAL 17 HB VAL 17 2.335 -0.489 -0.861 130 1HG1 VAL 17 1HG1 VAL 17 0.270 0.162 -1.948 131 2HG1 VAL 17 2HG1 VAL 17 0.065 0.167 -0.196 132 3HG1 VAL 17 3HG1 VAL 17 -0.589 -1.159 -1.155 133 1HG2 VAL 17 1HG2 VAL 17 2.486 -2.484 0.514 134 2HG2 VAL 17 2HG2 VAL 17 0.747 -2.735 0.360 135 3HG2 VAL 17 3HG2 VAL 17 1.363 -1.318 1.212 136 H LYS 18 H LYS 18 3.933 -1.191 -3.167 137 HA LYS 18 HA LYS 18 2.773 0.689 -4.949 138 1HB LYS 18 2HB LYS 18 5.194 0.539 -3.966 139 2HB LYS 18 1HB LYS 18 5.510 -0.471 -5.368 140 1HG LYS 18 2HG LYS 18 4.315 2.263 -5.652 141 2HG LYS 18 1HG LYS 18 6.057 2.025 -5.521 142 1HD LYS 18 2HD LYS 18 6.052 0.642 -7.502 143 2HD LYS 18 1HD LYS 18 4.293 0.725 -7.595 144 1HE LYS 18 2HE LYS 18 4.421 3.134 -7.963 145 2HE LYS 18 1HE LYS 18 6.180 3.065 -7.847 146 1HZ LYS 18 1HZ LYS 18 5.335 3.101 -10.155 147 2HZ LYS 18 2HZ LYS 18 4.583 1.604 -9.881 148 3HZ LYS 18 3HZ LYS 18 6.270 1.728 -9.808 149 H GLU 19 H GLU 19 3.773 -2.676 -5.288 150 HA GLU 19 HA GLU 19 3.345 -2.850 -8.090 151 1HB GLU 19 2HB GLU 19 3.221 -4.998 -5.962 152 2HB GLU 19 1HB GLU 19 3.210 -5.305 -7.694 153 1HG GLU 19 2HG GLU 19 5.420 -4.144 -7.825 154 2HG GLU 19 1HG GLU 19 5.433 -4.105 -6.064 155 H GLN 20 H GLN 20 1.277 -3.038 -5.303 156 HA GLN 20 HA GLN 20 -1.083 -3.890 -6.641 157 1HB GLN 20 2HB GLN 20 -1.062 -4.178 -4.314 158 2HB GLN 20 1HB GLN 20 -0.487 -2.549 -4.019 159 1HG GLN 20 2HG GLN 20 -2.769 -2.764 -3.299 160 2HG GLN 20 1HG GLN 20 -2.676 -1.670 -4.670 161 1HE2 GLN 20 1HE2 GLN 20 -4.861 -1.958 -5.094 162 2HE2 GLN 20 2HE2 GLN 20 -5.468 -3.404 -5.815 163 H TRP 21 H TRP 21 -0.100 -0.685 -5.438 164 HA TRP 21 HA TRP 21 -1.582 0.560 -7.648 165 1HB TRP 21 2HB TRP 21 -1.690 1.237 -4.721 166 2HB TRP 21 1HB TRP 21 -2.050 2.444 -5.943 167 HD1 TRP 21 HD TRP 21 -4.080 1.069 -3.736 168 HE1 TRP 21 1HE TRP 21 -6.326 0.148 -4.615 169 HE3 TRP 21 3HE TRP 21 -2.876 0.557 -8.679 170 HZ2 TRP 21 2HZ TRP 21 -7.422 -0.691 -7.073 171 HZ3 TRP 21 3HZ TRP 21 -4.579 -0.308 -10.223 172 HH2 TRP 21 HH TRP 21 -6.805 -0.919 -9.436 173 H GLY 22 H GLY 22 0.066 1.183 -8.865 174 1HA GLY 22 2HA GLY 22 2.594 2.008 -7.865 175 2HA GLY 22 1HA GLY 22 2.049 2.131 -9.528 176 H LYS 23 H LYS 23 -0.286 3.712 -8.011 177 HA LYS 23 HA LYS 23 0.707 6.304 -8.653 178 1HB LYS 23 2HB LYS 23 -1.776 5.154 -8.168 179 2HB LYS 23 1HB LYS 23 -1.559 6.264 -6.826 180 1HG LYS 23 2HG LYS 23 -1.287 7.036 -9.719 181 2HG LYS 23 1HG LYS 23 -2.764 7.215 -8.773 182 1HD LYS 23 2HD LYS 23 -1.599 8.701 -7.222 183 2HD LYS 23 1HD LYS 23 -0.111 8.504 -8.142 184 1HE LYS 23 2HE LYS 23 -1.286 9.454 -10.122 185 2HE LYS 23 1HE LYS 23 -2.677 9.767 -9.085 186 1HZ LYS 23 1HZ LYS 23 0.036 10.938 -8.822 187 2HZ LYS 23 2HZ LYS 23 -1.206 11.153 -7.686 188 3HZ LYS 23 3HZ LYS 23 -1.386 11.749 -9.266 189 H LEU 24 H LEU 24 0.606 4.344 -5.796 190 HA LEU 24 HA LEU 24 1.032 6.442 -3.915 191 1HB LEU 24 2HB LEU 24 1.388 3.455 -3.755 192 2HB LEU 24 1HB LEU 24 1.593 4.523 -2.379 193 HG LEU 24 HG LEU 24 -0.954 4.069 -3.939 194 1HD1 LEU 24 1HD1 LEU 24 -0.209 3.422 -1.096 195 2HD1 LEU 24 2HD1 LEU 24 -0.357 2.259 -2.415 196 3HD1 LEU 24 3HD1 LEU 24 -1.777 3.141 -1.853 197 1HD2 LEU 24 1HD2 LEU 24 -0.460 5.867 -1.571 198 2HD2 LEU 24 2HD2 LEU 24 -2.012 5.561 -2.351 199 3HD2 LEU 24 3HD2 LEU 24 -0.738 6.405 -3.229 200 H THR 25 H THR 25 2.914 7.020 -2.837 201 HA THR 25 HA THR 25 5.398 6.231 -4.210 202 HB THR 25 HB THR 25 6.210 8.563 -3.801 203 HG1 THR 25 1HG THR 25 3.677 8.748 -2.658 204 1HG2 THR 25 1HG2 THR 25 4.996 9.530 -5.688 205 2HG2 THR 25 2HG2 THR 25 3.737 8.305 -5.511 206 3HG2 THR 25 3HG2 THR 25 5.368 7.830 -5.987 207 H ASP 26 H ASP 26 7.286 7.399 -2.724 208 HA ASP 26 HA ASP 26 7.663 5.426 -0.827 209 1HB ASP 26 2HB ASP 26 9.491 6.703 -1.866 210 2HB ASP 26 1HB ASP 26 9.034 8.115 -0.915 211 H ASP 27 H ASP 27 6.657 8.808 -0.251 212 HA ASP 27 HA ASP 27 6.583 8.729 2.533 213 1HB ASP 27 2HB ASP 27 6.182 10.826 1.429 214 2HB ASP 27 1HB ASP 27 4.761 10.185 0.615 215 H ASP 28 H ASP 28 4.069 7.878 0.221 216 HA ASP 28 HA ASP 28 2.035 7.285 2.044 217 1HB ASP 28 2HB ASP 28 2.491 5.947 -0.624 218 2HB ASP 28 1HB ASP 28 0.969 6.135 0.206 219 H MET 29 H MET 29 4.282 5.173 0.344 220 HA MET 29 HA MET 29 3.365 2.743 1.320 221 1HB MET 29 2HB MET 29 6.269 3.193 0.762 222 2HB MET 29 1HB MET 29 5.279 1.792 0.409 223 1HG MET 29 2HG MET 29 5.361 4.407 -1.035 224 2HG MET 29 1HG MET 29 5.785 2.810 -1.642 225 1HE MET 29 1HE MET 29 3.394 1.084 -0.424 226 2HE MET 29 2HE MET 29 4.028 0.895 -2.059 227 3HE MET 29 3HE MET 29 2.293 1.077 -1.801 228 H THR 30 H THR 30 5.752 4.967 2.647 229 HA THR 30 HA THR 30 6.754 3.209 4.631 230 HB THR 30 HB THR 30 6.830 6.235 4.631 231 HG1 THR 30 1HG THR 30 7.853 5.685 2.784 232 1HG2 THR 30 1HG2 THR 30 8.655 4.213 5.946 233 2HG2 THR 30 2HG2 THR 30 7.450 5.191 6.781 234 3HG2 THR 30 3HG2 THR 30 8.829 5.968 6.005 235 H ILE 31 H ILE 31 3.983 5.351 4.529 236 HA ILE 31 HA ILE 31 3.606 5.232 7.402 237 HB ILE 31 HB ILE 31 1.385 6.103 5.611 238 1HG1 ILE 31 2HG1 ILE 31 3.855 7.787 6.131 239 2HG1 ILE 31 1HG1 ILE 31 3.347 7.144 4.577 240 1HG2 ILE 31 1HG2 ILE 31 1.100 6.092 8.025 241 2HG2 ILE 31 2HG2 ILE 31 1.058 7.741 7.406 242 3HG2 ILE 31 3HG2 ILE 31 2.507 7.141 8.212 243 1HD1 ILE 31 1HD1 ILE 31 2.785 9.482 4.763 244 2HD1 ILE 31 2HD1 ILE 31 1.854 9.164 6.227 245 3HD1 ILE 31 3HD1 ILE 31 1.320 8.504 4.679 246 H ILE 32 H ILE 32 2.506 3.590 4.540 247 HA ILE 32 HA ILE 32 0.227 2.366 5.762 248 HB ILE 32 HB ILE 32 1.635 1.510 3.224 249 1HG1 ILE 32 2HG1 ILE 32 -0.699 3.397 3.579 250 2HG1 ILE 32 1HG1 ILE 32 0.945 3.888 3.179 251 1HG2 ILE 32 1HG2 ILE 32 -0.571 0.566 2.633 252 2HG2 ILE 32 2HG2 ILE 32 -1.169 1.019 4.229 253 3HG2 ILE 32 3HG2 ILE 32 0.113 -0.184 4.079 254 1HD1 ILE 32 1HD1 ILE 32 -0.441 3.861 1.208 255 2HD1 ILE 32 2HD1 ILE 32 -0.867 2.177 1.496 256 3HD1 ILE 32 3HD1 ILE 32 0.794 2.610 1.092 257 H GLU 33 H GLU 33 3.204 0.893 4.470 258 HA GLU 33 HA GLU 33 4.130 -1.139 4.692 259 1HB GLU 33 2HB GLU 33 5.043 -1.607 6.904 260 2HB GLU 33 1HB GLU 33 5.216 0.081 6.464 261 1HG GLU 33 2HG GLU 33 2.950 0.245 7.859 262 2HG GLU 33 1HG GLU 33 3.652 -1.178 8.625 263 H GLY 34 H GLY 34 1.674 -1.205 7.315 264 1HA GLY 34 2HA GLY 34 0.495 -3.577 6.092 265 2HA GLY 34 1HA GLY 34 1.186 -3.801 7.695 266 H LYS 35 H LYS 35 -0.065 -0.735 7.001 267 HA LYS 35 HA LYS 35 -2.142 -1.060 9.003 268 1HB LYS 35 2HB LYS 35 -0.841 1.312 7.696 269 2HB LYS 35 1HB LYS 35 -2.372 1.498 8.533 270 1HG LYS 35 2HG LYS 35 -0.527 2.114 9.968 271 2HG LYS 35 1HG LYS 35 -1.353 0.691 10.598 272 1HD LYS 35 2HD LYS 35 0.398 -0.745 9.896 273 2HD LYS 35 1HD LYS 35 1.138 0.523 8.916 274 1HE LYS 35 2HE LYS 35 0.831 0.756 11.896 275 2HE LYS 35 1HE LYS 35 2.240 0.002 11.150 276 1HZ LYS 35 1HZ LYS 35 1.346 2.769 10.546 277 2HZ LYS 35 2HZ LYS 35 2.797 2.031 10.071 278 3HZ LYS 35 3HZ LYS 35 2.521 2.391 11.703 279 H ARG 36 H ARG 36 -4.126 -1.495 8.487 280 HA ARG 36 HA ARG 36 -5.059 -1.739 5.840 281 1HB ARG 36 2HB ARG 36 -5.817 -2.857 8.093 282 2HB ARG 36 1HB ARG 36 -6.906 -1.483 8.187 283 1HG ARG 36 2HG ARG 36 -6.815 -3.204 5.748 284 2HG ARG 36 1HG ARG 36 -7.740 -3.684 7.166 285 1HD ARG 36 2HD ARG 36 -8.868 -1.413 7.006 286 2HD ARG 36 1HD ARG 36 -8.125 -1.277 5.412 287 HE ARG 36 HE ARG 36 -9.362 -3.715 5.388 288 1HH1 ARG 36 1HH1 ARG 36 -10.410 -0.414 5.923 289 2HH1 ARG 36 2HH1 ARG 36 -12.036 -0.700 5.369 290 1HH2 ARG 36 1HH2 ARG 36 -11.502 -4.110 4.696 291 2HH2 ARG 36 2HH2 ARG 36 -12.646 -2.799 4.677 292 H ASP 37 H ASP 37 -5.702 0.645 8.377 293 HA ASP 37 HA ASP 37 -7.578 2.183 6.933 294 1HB ASP 37 2HB ASP 37 -7.639 2.550 9.224 295 2HB ASP 37 1HB ASP 37 -5.887 2.639 9.361 296 H GLN 38 H GLN 38 -4.088 2.243 7.082 297 HA GLN 38 HA GLN 38 -3.711 4.792 5.950 298 1HB GLN 38 2HB GLN 38 -1.990 2.424 6.419 299 2HB GLN 38 1HB GLN 38 -1.439 3.589 5.221 300 1HG GLN 38 2HG GLN 38 -2.155 4.220 8.075 301 2HG GLN 38 1HG GLN 38 -0.519 4.047 7.433 302 1HE2 GLN 38 1HE2 GLN 38 -1.830 6.338 8.686 303 2HE2 GLN 38 2HE2 GLN 38 -1.717 7.631 7.549 304 H LEU 39 H LEU 39 -3.602 1.554 4.402 305 HA LEU 39 HA LEU 39 -3.148 2.597 1.825 306 1HB LEU 39 2HB LEU 39 -2.760 0.245 2.332 307 2HB LEU 39 1HB LEU 39 -4.479 0.000 2.588 308 HG LEU 39 HG LEU 39 -4.941 0.418 0.243 309 1HD1 LEU 39 1HD1 LEU 39 -1.980 0.891 -0.035 310 2HD1 LEU 39 2HD1 LEU 39 -3.252 2.102 -0.205 311 3HD1 LEU 39 3HD1 LEU 39 -3.135 0.778 -1.365 312 1HD2 LEU 39 1HD2 LEU 39 -4.372 -1.855 0.810 313 2HD2 LEU 39 2HD2 LEU 39 -2.654 -1.494 0.633 314 3HD2 LEU 39 3HD2 LEU 39 -3.711 -1.449 -0.777 315 H VAL 40 H VAL 40 -6.146 1.879 3.562 316 HA VAL 40 HA VAL 40 -7.984 2.309 1.527 317 HB VAL 40 HB VAL 40 -8.222 3.053 4.450 318 1HG1 VAL 40 1HG1 VAL 40 -10.400 2.835 2.374 319 2HG1 VAL 40 2HG1 VAL 40 -9.829 4.329 3.117 320 3HG1 VAL 40 3HG1 VAL 40 -10.636 3.107 4.101 321 1HG2 VAL 40 1HG2 VAL 40 -9.229 0.668 2.909 322 2HG2 VAL 40 2HG2 VAL 40 -9.512 0.988 4.620 323 3HG2 VAL 40 3HG2 VAL 40 -7.876 0.675 4.039 324 H GLY 41 H GLY 41 -6.673 4.725 3.804 325 1HA GLY 41 2HA GLY 41 -7.938 6.943 2.592 326 2HA GLY 41 1HA GLY 41 -6.548 7.015 3.665 327 H LYS 42 H LYS 42 -4.735 5.512 2.142 328 HA LYS 42 HA LYS 42 -3.669 7.520 0.519 329 1HB LYS 42 2HB LYS 42 -3.035 4.618 0.879 330 2HB LYS 42 1HB LYS 42 -2.212 5.543 -0.365 331 1HG LYS 42 2HG LYS 42 -2.135 5.942 2.611 332 2HG LYS 42 1HG LYS 42 -0.794 5.603 1.505 333 1HD LYS 42 2HD LYS 42 -1.148 7.805 0.453 334 2HD LYS 42 1HD LYS 42 -2.414 8.148 1.633 335 1HE LYS 42 2HE LYS 42 -0.871 8.158 3.424 336 2HE LYS 42 1HE LYS 42 0.397 7.445 2.425 337 1HZ LYS 42 1HZ LYS 42 -0.747 10.174 2.145 338 2HZ LYS 42 2HZ LYS 42 0.366 9.476 1.067 339 3HZ LYS 42 3HZ LYS 42 0.814 9.774 2.673 340 H ILE 43 H ILE 43 -5.380 4.538 -0.438 341 HA ILE 43 HA ILE 43 -5.240 4.962 -3.209 342 HB ILE 43 HB ILE 43 -7.528 3.689 -1.695 343 1HG1 ILE 43 2HG1 ILE 43 -5.054 2.432 -2.900 344 2HG1 ILE 43 1HG1 ILE 43 -5.327 2.676 -1.180 345 1HG2 ILE 43 1HG2 ILE 43 -8.001 2.526 -3.770 346 2HG2 ILE 43 2HG2 ILE 43 -6.646 3.341 -4.556 347 3HG2 ILE 43 3HG2 ILE 43 -8.050 4.272 -4.029 348 1HD1 ILE 43 1HD1 ILE 43 -7.229 1.165 -1.255 349 2HD1 ILE 43 2HD1 ILE 43 -5.765 0.378 -1.849 350 3HD1 ILE 43 3HD1 ILE 43 -6.988 0.942 -2.989 351 H GLN 44 H GLN 44 -7.613 6.097 -0.834 352 HA GLN 44 HA GLN 44 -9.422 7.287 -2.623 353 1HB GLN 44 2HB GLN 44 -8.821 8.154 0.207 354 2HB GLN 44 1HB GLN 44 -10.266 8.535 -0.712 355 1HG GLN 44 2HG GLN 44 -10.842 6.142 -0.751 356 2HG GLN 44 1HG GLN 44 -9.414 5.809 0.225 357 1HE2 GLN 44 1HE2 GLN 44 -11.464 8.629 0.616 358 2HE2 GLN 44 2HE2 GLN 44 -12.081 8.192 2.168 359 H GLU 45 H GLU 45 -6.351 8.366 -1.448 360 HA GLU 45 HA GLU 45 -6.937 11.131 -2.195 361 1HB GLU 45 2HB GLU 45 -4.515 9.938 -0.849 362 2HB GLU 45 1HB GLU 45 -4.752 11.647 -1.173 363 1HG GLU 45 2HG GLU 45 -6.750 11.605 0.284 364 2HG GLU 45 1HG GLU 45 -6.389 9.921 0.666 365 H ARG 46 H ARG 46 -4.442 8.662 -2.852 366 HA ARG 46 HA ARG 46 -2.992 10.273 -4.639 367 1HB ARG 46 2HB ARG 46 -2.768 7.657 -3.563 368 2HB ARG 46 1HB ARG 46 -2.604 7.528 -5.311 369 1HG ARG 46 2HG ARG 46 -0.432 7.824 -4.368 370 2HG ARG 46 1HG ARG 46 -0.871 9.301 -5.224 371 1HD ARG 46 2HD ARG 46 -1.677 10.143 -2.938 372 2HD ARG 46 1HD ARG 46 -0.757 8.803 -2.267 373 HE ARG 46 HE ARG 46 0.953 10.159 -3.979 374 1HH1 ARG 46 1HH1 ARG 46 -0.758 10.780 -0.989 375 2HH1 ARG 46 2HH1 ARG 46 0.372 11.983 -0.447 376 1HH2 ARG 46 1HH2 ARG 46 2.437 11.744 -3.271 377 2HH2 ARG 46 2HH2 ARG 46 2.188 12.531 -1.738 378 H TYR 47 H TYR 47 -5.436 7.765 -5.281 379 HA TYR 47 HA TYR 47 -5.475 8.502 -8.104 380 1HB TYR 47 2HB TYR 47 -7.088 6.502 -6.517 381 2HB TYR 47 1HB TYR 47 -7.331 6.810 -8.231 382 HD1 TYR 47 1HD TYR 47 -5.631 6.152 -9.858 383 HD2 TYR 47 2HD TYR 47 -5.238 5.229 -5.731 384 HE1 TYR 47 1HE TYR 47 -3.911 4.489 -10.403 385 HE2 TYR 47 2HE TYR 47 -3.518 3.570 -6.258 386 HH TYR 47 HH TYR 47 -2.870 2.154 -8.272 387 H GLY 48 H GLY 48 -7.462 8.674 -5.241 388 1HA GLY 48 2HA GLY 48 -8.990 10.451 -4.795 389 2HA GLY 48 1HA GLY 48 -9.094 10.753 -6.524 390 H TYR 49 H TYR 49 -9.477 7.788 -4.621 391 HA TYR 49 HA TYR 49 -12.016 7.305 -5.995 392 1HB TYR 49 2HB TYR 49 -10.211 5.505 -4.383 393 2HB TYR 49 1HB TYR 49 -11.802 5.017 -4.961 394 HD1 TYR 49 1HD TYR 49 -11.908 6.082 -7.654 395 HD2 TYR 49 2HD TYR 49 -8.642 4.308 -5.584 396 HE1 TYR 49 1HE TYR 49 -10.938 5.382 -9.801 397 HE2 TYR 49 2HE TYR 49 -7.664 3.595 -7.728 398 HH TYR 49 HH TYR 49 -8.898 4.713 -10.766 399 H GLN 50 H GLN 50 -13.741 6.276 -4.702 400 HA GLN 50 HA GLN 50 -14.204 7.758 -2.276 401 1HB GLN 50 2HB GLN 50 -15.871 5.736 -3.773 402 2HB GLN 50 1HB GLN 50 -16.398 6.531 -2.295 403 1HG GLN 50 2HG GLN 50 -15.782 7.828 -4.938 404 2HG GLN 50 1HG GLN 50 -17.360 7.666 -4.166 405 1HE2 GLN 50 1HE2 GLN 50 -14.368 9.395 -4.240 406 2HE2 GLN 50 2HE2 GLN 50 -14.820 10.650 -3.133 407 H LYS 51 H LYS 51 -14.815 6.708 -0.259 408 HA LYS 51 HA LYS 51 -12.856 4.920 0.624 409 1HB LYS 51 2HB LYS 51 -14.391 6.487 1.986 410 2HB LYS 51 1HB LYS 51 -15.550 5.166 1.943 411 1HG LYS 51 2HG LYS 51 -13.961 3.705 3.059 412 2HG LYS 51 1HG LYS 51 -12.761 4.996 3.068 413 1HD LYS 51 2HD LYS 51 -13.675 5.114 5.205 414 2HD LYS 51 1HD LYS 51 -14.561 6.357 4.318 415 1HE LYS 51 2HE LYS 51 -16.255 5.253 5.441 416 2HE LYS 51 1HE LYS 51 -16.266 4.452 3.869 417 1HZ LYS 51 1HZ LYS 51 -16.380 2.914 5.791 418 2HZ LYS 51 2HZ LYS 51 -14.826 3.412 6.249 419 3HZ LYS 51 3HZ LYS 51 -15.061 2.615 4.768 420 H ASP 52 H ASP 52 -16.103 4.373 -0.572 421 HA ASP 52 HA ASP 52 -16.455 1.687 0.073 422 1HB ASP 52 2HB ASP 52 -18.220 3.098 -0.888 423 2HB ASP 52 1HB ASP 52 -17.355 3.152 -2.415 424 H GLN 53 H GLN 53 -15.174 3.075 -2.940 425 HA GLN 53 HA GLN 53 -14.568 0.562 -4.094 426 1HB GLN 53 2HB GLN 53 -14.938 2.617 -5.416 427 2HB GLN 53 1HB GLN 53 -13.452 3.283 -4.759 428 1HG GLN 53 2HG GLN 53 -12.197 1.419 -5.765 429 2HG GLN 53 1HG GLN 53 -13.694 0.815 -6.466 430 1HE2 GLN 53 1HE2 GLN 53 -11.240 1.637 -7.765 431 2HE2 GLN 53 2HE2 GLN 53 -11.686 2.907 -8.857 432 H ALA 54 H ALA 54 -12.700 2.957 -2.306 433 HA ALA 54 HA ALA 54 -10.154 1.890 -2.738 434 1HB ALA 54 1HB ALA 54 -9.453 3.179 -0.806 435 2HB ALA 54 2HB ALA 54 -11.135 3.388 -0.315 436 3HB ALA 54 3HB ALA 54 -10.555 4.118 -1.812 437 H GLU 55 H GLU 55 -12.462 1.286 -0.074 438 HA GLU 55 HA GLU 55 -10.801 -0.501 1.319 439 1HB GLU 55 2HB GLU 55 -13.806 -0.275 1.254 440 2HB GLU 55 1HB GLU 55 -12.933 -1.344 2.344 441 1HG GLU 55 2HG GLU 55 -11.712 0.677 3.185 442 2HG GLU 55 1HG GLU 55 -12.840 1.653 2.245 443 H LYS 56 H LYS 56 -13.113 -1.039 -1.302 444 HA LYS 56 HA LYS 56 -13.031 -3.843 -1.310 445 1HB LYS 56 2HB LYS 56 -13.436 -1.851 -3.537 446 2HB LYS 56 1HB LYS 56 -13.531 -3.586 -3.797 447 1HG LYS 56 2HG LYS 56 -15.358 -3.723 -2.171 448 2HG LYS 56 1HG LYS 56 -15.268 -1.974 -1.936 449 1HD LYS 56 2HD LYS 56 -15.899 -1.575 -4.212 450 2HD LYS 56 1HD LYS 56 -15.774 -3.290 -4.602 451 1HE LYS 56 2HE LYS 56 -18.099 -2.649 -4.354 452 2HE LYS 56 1HE LYS 56 -17.629 -3.762 -3.069 453 1HZ LYS 56 1HZ LYS 56 -17.431 -1.904 -1.560 454 2HZ LYS 56 2HZ LYS 56 -18.974 -1.915 -2.249 455 3HZ LYS 56 3HZ LYS 56 -17.814 -0.807 -2.794 456 H GLU 57 H GLU 57 -10.923 -1.469 -2.867 457 HA GLU 57 HA GLU 57 -9.318 -3.434 -4.180 458 1HB GLU 57 2HB GLU 57 -8.680 -0.533 -3.598 459 2HB GLU 57 1HB GLU 57 -7.885 -1.560 -4.789 460 1HG GLU 57 2HG GLU 57 -9.977 -1.764 -6.021 461 2HG GLU 57 1HG GLU 57 -10.783 -0.762 -4.821 462 H VAL 58 H VAL 58 -9.195 -1.735 -1.117 463 HA VAL 58 HA VAL 58 -6.629 -2.593 -0.310 464 HB VAL 58 HB VAL 58 -9.053 -1.875 1.354 465 1HG1 VAL 58 1HG1 VAL 58 -7.531 -3.343 2.616 466 2HG1 VAL 58 2HG1 VAL 58 -7.538 -1.700 3.257 467 3HG1 VAL 58 3HG1 VAL 58 -6.194 -2.252 2.256 468 1HG2 VAL 58 1HG2 VAL 58 -6.557 -0.339 0.642 469 2HG2 VAL 58 2HG2 VAL 58 -7.813 0.210 1.751 470 3HG2 VAL 58 3HG2 VAL 58 -8.187 -0.028 0.044 471 H VAL 59 H VAL 59 -9.857 -4.003 0.147 472 HA VAL 59 HA VAL 59 -9.152 -6.188 1.714 473 HB VAL 59 HB VAL 59 -11.349 -5.936 -0.350 474 1HG1 VAL 59 1HG1 VAL 59 -10.970 -8.075 1.743 475 2HG1 VAL 59 2HG1 VAL 59 -10.855 -8.292 -0.003 476 3HG1 VAL 59 3HG1 VAL 59 -12.399 -7.866 0.729 477 1HG2 VAL 59 1HG2 VAL 59 -11.542 -4.390 1.513 478 2HG2 VAL 59 2HG2 VAL 59 -11.363 -5.718 2.659 479 3HG2 VAL 59 3HG2 VAL 59 -12.785 -5.636 1.620 480 H ASP 60 H ASP 60 -9.114 -5.859 -1.829 481 HA ASP 60 HA ASP 60 -8.474 -8.539 -2.391 482 1HB ASP 60 2HB ASP 60 -9.222 -6.890 -4.104 483 2HB ASP 60 1HB ASP 60 -7.640 -6.119 -4.004 484 H TRP 61 H TRP 61 -6.354 -5.710 -1.986 485 HA TRP 61 HA TRP 61 -3.895 -7.060 -2.168 486 1HB TRP 61 2HB TRP 61 -4.098 -4.603 -2.218 487 2HB TRP 61 1HB TRP 61 -4.620 -4.607 -0.538 488 HD1 TRP 61 HD TRP 61 -1.528 -4.797 -2.710 489 HE1 TRP 61 1HE TRP 61 0.572 -4.689 -1.228 490 HE3 TRP 61 3HE TRP 61 -3.748 -5.212 1.884 491 HZ2 TRP 61 2HZ TRP 61 1.203 -4.760 1.527 492 HZ3 TRP 61 3HZ TRP 61 -2.323 -5.174 3.888 493 HH2 TRP 61 HH TRP 61 0.100 -4.954 3.712 494 H GLU 62 H GLU 62 -6.038 -6.414 0.504 495 HA GLU 62 HA GLU 62 -4.457 -7.173 2.666 496 1HB GLU 62 2HB GLU 62 -6.569 -5.880 2.755 497 2HB GLU 62 1HB GLU 62 -7.459 -7.339 2.351 498 1HG GLU 62 2HG GLU 62 -6.770 -8.364 4.424 499 2HG GLU 62 1HG GLU 62 -5.801 -6.945 4.823 500 H THR 63 H THR 63 -6.859 -9.081 0.842 501 HA THR 63 HA THR 63 -6.281 -11.442 2.392 502 HB THR 63 HB THR 63 -8.559 -11.018 1.546 503 HG1 THR 63 1HG THR 63 -7.193 -13.321 1.370 504 1HG2 THR 63 1HG2 THR 63 -9.073 -11.380 -0.831 505 2HG2 THR 63 2HG2 THR 63 -7.349 -11.516 -1.176 506 3HG2 THR 63 3HG2 THR 63 -8.013 -9.989 -0.594 507 H ARG 64 H ARG 64 -4.925 -9.953 -0.327 508 HA ARG 64 HA ARG 64 -3.958 -12.384 -1.561 509 1HB ARG 64 2HB ARG 64 -4.525 -10.346 -2.867 510 2HB ARG 64 1HB ARG 64 -3.183 -9.513 -2.096 511 1HG ARG 64 2HG ARG 64 -1.613 -11.040 -3.104 512 2HG ARG 64 1HG ARG 64 -2.936 -11.968 -3.814 513 1HD ARG 64 2HD ARG 64 -3.630 -9.903 -5.030 514 2HD ARG 64 1HD ARG 64 -2.171 -9.118 -4.425 515 HE ARG 64 HE ARG 64 -1.204 -11.346 -5.609 516 1HH1 ARG 64 1HH1 ARG 64 -3.322 -8.764 -6.683 517 2HH1 ARG 64 2HH1 ARG 64 -2.913 -8.961 -8.359 518 1HH2 ARG 64 1HH2 ARG 64 -0.649 -11.589 -7.798 519 2HH2 ARG 64 2HH2 ARG 64 -1.363 -10.555 -8.992 520 H ASN 65 H ASN 65 -2.622 -9.725 0.360 521 HA ASN 65 HA ASN 65 -0.040 -11.089 0.504 522 1HB ASN 65 2HB ASN 65 -0.977 -8.360 1.377 523 2HB ASN 65 1HB ASN 65 0.588 -9.009 1.863 524 1HD2 ASN 65 1HD2 ASN 65 -1.339 -7.869 -0.804 525 2HD2 ASN 65 2HD2 ASN 65 -0.034 -7.708 -1.934 526 H GLU 66 H GLU 66 -2.220 -9.532 2.825 527 HA GLU 66 HA GLU 66 -3.157 -10.268 4.757 528 1HB GLU 66 2HB GLU 66 -1.757 -12.891 4.220 529 2HB GLU 66 1HB GLU 66 -2.929 -12.608 5.501 530 1HG GLU 66 2HG GLU 66 -4.641 -12.121 3.832 531 2HG GLU 66 1HG GLU 66 -3.468 -12.393 2.545 532 H TYR 67 H TYR 67 0.155 -10.184 4.162 533 HA TYR 67 HA TYR 67 1.071 -10.456 6.844 534 1HB TYR 67 2HB TYR 67 2.421 -10.531 4.617 535 2HB TYR 67 1HB TYR 67 2.440 -8.777 4.752 536 HD1 TYR 67 1HD TYR 67 3.837 -11.886 5.947 537 HD2 TYR 67 2HD TYR 67 3.565 -7.712 6.709 538 HE1 TYR 67 1HE TYR 67 5.785 -12.037 7.439 539 HE2 TYR 67 2HE TYR 67 5.509 -7.855 8.200 540 HH TYR 67 HH TYR 67 6.688 -9.484 9.527 541 H ARG 68 H ARG 68 0.117 -9.193 8.322 542 HA ARG 68 HA ARG 68 -0.469 -6.389 7.649 543 1HB ARG 68 2HB ARG 68 -2.144 -8.472 8.420 544 2HB ARG 68 1HB ARG 68 -1.919 -7.550 9.894 545 1HG ARG 68 2HG ARG 68 -2.931 -5.646 8.988 546 2HG ARG 68 1HG ARG 68 -2.781 -6.242 7.329 547 1HD ARG 68 2HD ARG 68 -4.286 -8.129 7.935 548 2HD ARG 68 1HD ARG 68 -4.494 -7.414 9.526 549 HE ARG 68 HE ARG 68 -5.423 -6.156 7.021 550 1HH1 ARG 68 1HH1 ARG 68 -5.721 -6.774 10.442 551 2HH1 ARG 68 2HH1 ARG 68 -7.333 -6.140 10.562 552 1HH2 ARG 68 1HH2 ARG 68 -7.593 -5.386 7.140 553 2HH2 ARG 68 2HH2 ARG 68 -8.391 -5.355 8.691 554 H TRP 69 H TRP 69 1.556 -8.324 9.398 555 HA TRP 69 HA TRP 69 1.634 -6.538 11.706 556 1HB TRP 69 2HB TRP 69 3.090 -8.338 12.739 557 2HB TRP 69 1HB TRP 69 1.406 -8.756 12.476 558 HD1 TRP 69 HD TRP 69 4.904 -9.838 11.636 559 HE1 TRP 69 1HE TRP 69 4.837 -11.988 10.223 560 HE3 TRP 69 3HE TRP 69 -0.102 -9.950 10.574 561 HZ2 TRP 69 2HZ TRP 69 2.914 -13.521 8.842 562 HZ3 TRP 69 3HZ TRP 69 -0.970 -11.796 9.200 563 HH2 TRP 69 HH TRP 69 0.508 -13.543 8.353 Start of MODEL 18 1 1H MET 1 1HT MET 1 -0.379 -11.365 15.100 2 2H MET 1 2HT MET 1 0.100 -9.935 14.311 3 3H MET 1 3HT MET 1 -0.903 -9.861 15.680 4 HA MET 1 HA MET 1 0.824 -10.702 17.083 5 1HB MET 1 2HB MET 1 3.088 -11.034 16.214 6 2HB MET 1 1HB MET 1 1.956 -12.111 15.409 7 1HG MET 1 2HG MET 1 1.929 -10.678 13.460 8 2HG MET 1 1HG MET 1 2.973 -9.515 14.273 9 1HE MET 1 1HE MET 1 5.514 -9.922 14.826 10 2HE MET 1 2HE MET 1 6.345 -11.455 14.561 11 3HE MET 1 3HE MET 1 5.064 -11.343 15.769 12 H ASN 2 H ASN 2 2.851 -9.324 17.683 13 HA ASN 2 HA ASN 2 2.269 -6.555 17.242 14 1HB ASN 2 2HB ASN 2 3.328 -7.485 19.339 15 2HB ASN 2 1HB ASN 2 4.791 -7.773 18.406 16 1HD2 ASN 2 1HD2 ASN 2 4.253 -6.064 20.744 17 2HD2 ASN 2 2HD2 ASN 2 4.796 -4.485 20.288 18 H LYS 3 H LYS 3 2.928 -5.365 15.568 19 HA LYS 3 HA LYS 3 4.073 -6.586 13.332 20 1HB LYS 3 2HB LYS 3 2.555 -4.574 13.387 21 2HB LYS 3 1HB LYS 3 3.951 -3.620 13.866 22 1HG LYS 3 2HG LYS 3 5.005 -3.910 11.805 23 2HG LYS 3 1HG LYS 3 3.966 -5.266 11.365 24 1HD LYS 3 2HD LYS 3 2.874 -2.498 11.796 25 2HD LYS 3 1HD LYS 3 3.520 -3.010 10.239 26 1HE LYS 3 2HE LYS 3 1.155 -3.326 10.180 27 2HE LYS 3 1HE LYS 3 1.906 -4.915 10.273 28 1HZ LYS 3 1HZ LYS 3 0.699 -3.443 12.563 29 2HZ LYS 3 2HZ LYS 3 1.392 -4.988 12.633 30 3HZ LYS 3 3HZ LYS 3 -0.013 -4.739 11.734 31 H ASP 4 H ASP 4 6.083 -6.927 12.722 32 HA ASP 4 HA ASP 4 8.194 -6.333 14.574 33 1HB ASP 4 2HB ASP 4 9.565 -7.793 13.254 34 2HB ASP 4 1HB ASP 4 7.981 -8.534 13.429 35 H GLU 5 H GLU 5 10.376 -5.700 13.612 36 HA GLU 5 HA GLU 5 10.322 -3.010 13.010 37 1HB GLU 5 2HB GLU 5 12.717 -3.286 12.394 38 2HB GLU 5 1HB GLU 5 12.299 -4.074 13.910 39 1HG GLU 5 2HG GLU 5 12.214 -6.226 12.808 40 2HG GLU 5 1HG GLU 5 12.533 -5.466 11.250 41 H ALA 6 H ALA 6 10.156 -1.802 11.217 42 HA ALA 6 HA ALA 6 9.436 -3.095 8.750 43 1HB ALA 6 1HB ALA 6 8.282 -1.060 9.450 44 2HB ALA 6 2HB ALA 6 9.085 -0.824 7.898 45 3HB ALA 6 3HB ALA 6 9.796 -0.160 9.369 46 H GLY 7 H GLY 7 11.261 -4.207 8.150 47 1HA GLY 7 2HA GLY 7 13.057 -2.748 6.473 48 2HA GLY 7 1HA GLY 7 13.860 -3.342 7.923 49 H GLY 8 H GLY 8 13.816 -4.082 4.892 50 1HA GLY 8 2HA GLY 8 14.193 -6.067 3.753 51 2HA GLY 8 1HA GLY 8 13.978 -6.932 5.270 52 H ASN 9 H ASN 9 11.698 -7.063 6.078 53 HA ASN 9 HA ASN 9 9.991 -8.130 4.085 54 1HB ASN 9 2HB ASN 9 8.331 -8.351 5.879 55 2HB ASN 9 1HB ASN 9 9.914 -8.896 6.418 56 1HD2 ASN 9 1HD2 ASN 9 7.659 -8.042 7.995 57 2HD2 ASN 9 2HD2 ASN 9 8.211 -6.724 8.965 58 H TRP 10 H TRP 10 10.120 -5.042 5.737 59 HA TRP 10 HA TRP 10 7.721 -4.006 4.644 60 1HB TRP 10 2HB TRP 10 8.718 -3.049 6.656 61 2HB TRP 10 1HB TRP 10 10.153 -2.580 5.748 62 HD1 TRP 10 HD TRP 10 10.103 -0.033 5.513 63 HE1 TRP 10 1HE TRP 10 8.338 1.723 4.854 64 HE3 TRP 10 3HE TRP 10 6.036 -3.104 5.088 65 HZ2 TRP 10 2HZ TRP 10 5.588 1.781 4.232 66 HZ3 TRP 10 3HZ TRP 10 3.874 -2.118 4.450 67 HH2 TRP 10 HH TRP 10 3.658 0.277 4.032 68 H LYS 11 H LYS 11 11.085 -3.967 3.647 69 HA LYS 11 HA LYS 11 10.875 -2.182 1.489 70 1HB LYS 11 2HB LYS 11 13.001 -2.977 2.490 71 2HB LYS 11 1HB LYS 11 12.712 -4.564 1.797 72 1HG LYS 11 2HG LYS 11 12.899 -3.669 -0.439 73 2HG LYS 11 1HG LYS 11 13.059 -2.031 0.205 74 1HD LYS 11 2HD LYS 11 15.108 -2.740 1.388 75 2HD LYS 11 1HD LYS 11 14.964 -4.329 0.637 76 1HE LYS 11 2HE LYS 11 15.281 -3.392 -1.546 77 2HE LYS 11 1HE LYS 11 15.201 -1.750 -0.903 78 1HZ LYS 11 1HZ LYS 11 17.483 -2.437 -1.315 79 2HZ LYS 11 2HZ LYS 11 17.303 -3.752 -0.259 80 3HZ LYS 11 3HZ LYS 11 17.223 -2.167 0.340 81 H GLN 12 H GLN 12 10.237 -5.598 1.834 82 HA GLN 12 HA GLN 12 9.762 -6.218 -0.875 83 1HB GLN 12 2HB GLN 12 10.124 -7.960 0.784 84 2HB GLN 12 1HB GLN 12 8.679 -7.469 1.656 85 1HG GLN 12 2HG GLN 12 8.198 -9.449 0.412 86 2HG GLN 12 1HG GLN 12 7.325 -8.100 -0.312 87 1HE2 GLN 12 1HE2 GLN 12 7.981 -7.312 -2.322 88 2HE2 GLN 12 2HE2 GLN 12 8.995 -8.239 -3.376 89 H PHE 13 H PHE 13 7.626 -5.059 1.724 90 HA PHE 13 HA PHE 13 5.282 -5.271 0.113 91 1HB PHE 13 2HB PHE 13 5.837 -4.110 2.806 92 2HB PHE 13 1HB PHE 13 4.324 -3.715 1.979 93 HD1 PHE 13 1HD PHE 13 3.381 -5.929 0.710 94 HD2 PHE 13 2HD PHE 13 5.621 -5.784 4.307 95 HE1 PHE 13 1HE PHE 13 2.548 -8.110 1.279 96 HE2 PHE 13 2HE PHE 13 4.764 -7.987 4.922 97 HZ PHE 13 HZ PHE 13 3.208 -9.182 3.418 98 H LYS 14 H LYS 14 7.441 -2.648 0.939 99 HA LYS 14 HA LYS 14 6.031 -0.583 -0.298 100 1HB LYS 14 2HB LYS 14 9.021 -0.958 -0.320 101 2HB LYS 14 1HB LYS 14 8.190 0.533 -0.701 102 1HG LYS 14 2HG LYS 14 7.324 0.649 1.567 103 2HG LYS 14 1HG LYS 14 8.111 -0.881 1.956 104 1HD LYS 14 2HD LYS 14 9.469 0.913 2.793 105 2HD LYS 14 1HD LYS 14 10.299 0.175 1.420 106 1HE LYS 14 2HE LYS 14 9.384 1.974 -0.027 107 2HE LYS 14 1HE LYS 14 8.705 2.735 1.411 108 1HZ LYS 14 1HZ LYS 14 11.589 2.235 0.898 109 2HZ LYS 14 2HZ LYS 14 10.954 2.936 2.305 110 3HZ LYS 14 3HZ LYS 14 10.806 3.741 0.819 111 H GLY 15 H GLY 15 8.202 -2.984 -1.737 112 1HA GLY 15 2HA GLY 15 7.819 -2.073 -4.414 113 2HA GLY 15 1HA GLY 15 8.471 -3.634 -3.935 114 H LYS 16 H LYS 16 6.243 -4.518 -2.407 115 HA LYS 16 HA LYS 16 4.757 -5.750 -4.465 116 1HB LYS 16 2HB LYS 16 5.271 -6.697 -2.206 117 2HB LYS 16 1HB LYS 16 4.084 -5.595 -1.525 118 1HG LYS 16 2HG LYS 16 3.185 -7.841 -1.823 119 2HG LYS 16 1HG LYS 16 2.327 -6.656 -2.810 120 1HD LYS 16 2HD LYS 16 3.382 -7.387 -4.782 121 2HD LYS 16 1HD LYS 16 4.599 -8.297 -3.896 122 1HE LYS 16 2HE LYS 16 1.657 -8.949 -3.918 123 2HE LYS 16 1HE LYS 16 2.854 -9.711 -4.964 124 1HZ LYS 16 1HZ LYS 16 2.405 -11.065 -3.020 125 2HZ LYS 16 2HZ LYS 16 2.841 -9.788 -1.994 126 3HZ LYS 16 3HZ LYS 16 4.009 -10.511 -2.992 127 H VAL 17 H VAL 17 3.961 -3.163 -2.180 128 HA VAL 17 HA VAL 17 1.272 -2.890 -3.090 129 HB VAL 17 HB VAL 17 2.929 -0.877 -1.556 130 1HG1 VAL 17 1HG1 VAL 17 0.778 0.030 -0.832 131 2HG1 VAL 17 2HG1 VAL 17 -0.064 -1.139 -1.852 132 3HG1 VAL 17 3HG1 VAL 17 0.948 0.107 -2.585 133 1HG2 VAL 17 1HG2 VAL 17 2.819 -3.005 -0.389 134 2HG2 VAL 17 2HG2 VAL 17 1.061 -3.007 -0.536 135 3HG2 VAL 17 3HG2 VAL 17 1.865 -1.777 0.440 136 H LYS 18 H LYS 18 4.363 -1.518 -4.113 137 HA LYS 18 HA LYS 18 3.099 0.451 -5.764 138 1HB LYS 18 2HB LYS 18 5.904 -0.636 -5.735 139 2HB LYS 18 1HB LYS 18 5.364 0.548 -6.919 140 1HG LYS 18 2HG LYS 18 4.639 1.971 -4.947 141 2HG LYS 18 1HG LYS 18 5.566 0.857 -3.942 142 1HD LYS 18 2HD LYS 18 6.898 2.812 -4.507 143 2HD LYS 18 1HD LYS 18 7.578 1.365 -5.258 144 1HE LYS 18 2HE LYS 18 6.637 1.953 -7.381 145 2HE LYS 18 1HE LYS 18 5.732 3.284 -6.667 146 1HZ LYS 18 1HZ LYS 18 7.871 3.825 -7.901 147 2HZ LYS 18 2HZ LYS 18 8.682 3.206 -6.545 148 3HZ LYS 18 3HZ LYS 18 7.646 4.538 -6.381 149 H GLU 19 H GLU 19 3.716 -2.925 -6.121 150 HA GLU 19 HA GLU 19 3.176 -3.003 -8.948 151 1HB GLU 19 2HB GLU 19 2.967 -5.169 -6.840 152 2HB GLU 19 1HB GLU 19 2.822 -5.436 -8.570 153 1HG GLU 19 2HG GLU 19 5.122 -4.663 -8.874 154 2HG GLU 19 1HG GLU 19 5.264 -4.429 -7.131 155 H GLN 20 H GLN 20 1.380 -3.170 -5.980 156 HA GLN 20 HA GLN 20 -1.168 -3.797 -7.071 157 1HB GLN 20 2HB GLN 20 -0.807 -4.245 -4.775 158 2HB GLN 20 1HB GLN 20 -0.187 -2.632 -4.474 159 1HG GLN 20 2HG GLN 20 -2.339 -2.838 -3.476 160 2HG GLN 20 1HG GLN 20 -2.457 -1.736 -4.843 161 1HE2 GLN 20 1HE2 GLN 20 -4.659 -2.057 -4.999 162 2HE2 GLN 20 2HE2 GLN 20 -5.342 -3.522 -5.615 163 H TRP 21 H TRP 21 0.025 -0.778 -5.662 164 HA TRP 21 HA TRP 21 -1.591 0.768 -7.557 165 1HB TRP 21 2HB TRP 21 -1.317 1.086 -4.576 166 2HB TRP 21 1HB TRP 21 -1.800 2.431 -5.587 167 HD1 TRP 21 HD TRP 21 -3.548 0.793 -3.304 168 HE1 TRP 21 1HE TRP 21 -5.909 0.009 -3.974 169 HE3 TRP 21 3HE TRP 21 -3.054 0.944 -8.394 170 HZ2 TRP 21 2HZ TRP 21 -7.364 -0.458 -6.334 171 HZ3 TRP 21 3HZ TRP 21 -4.982 0.324 -9.783 172 HH2 TRP 21 HH TRP 21 -7.093 -0.364 -8.774 173 H GLY 22 H GLY 22 0.057 1.382 -8.874 174 1HA GLY 22 2HA GLY 22 2.675 2.025 -7.944 175 2HA GLY 22 1HA GLY 22 2.066 2.271 -9.571 176 H LYS 23 H LYS 23 -0.136 3.830 -7.823 177 HA LYS 23 HA LYS 23 0.976 6.420 -8.336 178 1HB LYS 23 2HB LYS 23 -1.596 5.306 -7.644 179 2HB LYS 23 1HB LYS 23 -1.246 6.713 -6.651 180 1HG LYS 23 2HG LYS 23 -0.782 6.932 -9.572 181 2HG LYS 23 1HG LYS 23 -2.447 6.918 -8.985 182 1HD LYS 23 2HD LYS 23 -1.911 8.774 -7.468 183 2HD LYS 23 1HD LYS 23 -0.265 8.801 -8.100 184 1HE LYS 23 2HE LYS 23 -0.986 9.513 -10.227 185 2HE LYS 23 1HE LYS 23 -2.668 9.116 -9.873 186 1HZ LYS 23 1HZ LYS 23 -2.715 10.902 -8.253 187 2HZ LYS 23 2HZ LYS 23 -2.282 11.498 -9.775 188 3HZ LYS 23 3HZ LYS 23 -1.095 11.287 -8.579 189 H LEU 24 H LEU 24 0.751 4.317 -5.577 190 HA LEU 24 HA LEU 24 1.102 6.344 -3.603 191 1HB LEU 24 2HB LEU 24 1.470 3.356 -3.483 192 2HB LEU 24 1HB LEU 24 1.604 4.410 -2.090 193 HG LEU 24 HG LEU 24 -0.866 3.900 -3.744 194 1HD1 LEU 24 1HD1 LEU 24 -0.242 3.320 -0.853 195 2HD1 LEU 24 2HD1 LEU 24 -0.267 2.130 -2.155 196 3HD1 LEU 24 3HD1 LEU 24 -1.752 2.961 -1.694 197 1HD2 LEU 24 1HD2 LEU 24 -0.770 6.239 -3.080 198 2HD2 LEU 24 2HD2 LEU 24 -0.477 5.765 -1.409 199 3HD2 LEU 24 3HD2 LEU 24 -2.016 5.379 -2.183 200 H THR 25 H THR 25 2.902 7.052 -2.593 201 HA THR 25 HA THR 25 5.426 6.371 -3.940 202 HB THR 25 HB THR 25 6.253 8.560 -3.183 203 HG1 THR 25 1HG THR 25 3.608 8.842 -2.115 204 1HG2 THR 25 1HG2 THR 25 3.605 8.710 -4.627 205 2HG2 THR 25 2HG2 THR 25 5.178 8.403 -5.364 206 3HG2 THR 25 3HG2 THR 25 4.845 9.966 -4.618 207 H ASP 26 H ASP 26 7.227 7.379 -2.140 208 HA ASP 26 HA ASP 26 7.530 5.132 -0.448 209 1HB ASP 26 2HB ASP 26 9.351 6.611 -1.489 210 2HB ASP 26 1HB ASP 26 9.042 7.726 -0.162 211 H ASP 27 H ASP 27 6.688 8.528 0.196 212 HA ASP 27 HA ASP 27 6.581 8.269 3.013 213 1HB ASP 27 2HB ASP 27 6.782 10.459 2.031 214 2HB ASP 27 1HB ASP 27 5.252 10.274 1.183 215 H ASP 28 H ASP 28 4.155 7.810 0.492 216 HA ASP 28 HA ASP 28 1.875 7.809 2.142 217 1HB ASP 28 2HB ASP 28 2.337 6.227 -0.398 218 2HB ASP 28 1HB ASP 28 0.784 6.451 0.374 219 H MET 29 H MET 29 3.823 5.098 0.929 220 HA MET 29 HA MET 29 2.328 3.172 2.348 221 1HB MET 29 2HB MET 29 4.370 3.076 0.440 222 2HB MET 29 1HB MET 29 5.031 2.313 1.873 223 1HG MET 29 2HG MET 29 3.131 0.824 2.005 224 2HG MET 29 1HG MET 29 2.417 1.603 0.593 225 1HE MET 29 1HE MET 29 4.773 2.066 -1.374 226 2HE MET 29 2HE MET 29 3.230 1.342 -1.827 227 3HE MET 29 3HE MET 29 4.741 0.560 -2.294 228 H THR 30 H THR 30 5.174 5.055 3.172 229 HA THR 30 HA THR 30 6.032 3.691 5.434 230 HB THR 30 HB THR 30 5.985 6.678 4.931 231 HG1 THR 30 1HG THR 30 7.298 5.769 3.421 232 1HG2 THR 30 1HG2 THR 30 7.577 5.090 6.952 233 2HG2 THR 30 2HG2 THR 30 6.280 6.232 7.312 234 3HG2 THR 30 3HG2 THR 30 7.788 6.803 6.596 235 H ILE 31 H ILE 31 3.359 5.962 5.041 236 HA ILE 31 HA ILE 31 2.686 5.958 7.841 237 HB ILE 31 HB ILE 31 0.755 6.785 5.703 238 1HG1 ILE 31 2HG1 ILE 31 3.215 8.349 6.542 239 2HG1 ILE 31 1HG1 ILE 31 2.832 7.756 4.935 240 1HG2 ILE 31 1HG2 ILE 31 0.186 8.507 7.355 241 2HG2 ILE 31 2HG2 ILE 31 1.442 7.888 8.427 242 3HG2 ILE 31 3HG2 ILE 31 0.049 6.882 8.028 243 1HD1 ILE 31 1HD1 ILE 31 1.284 9.846 6.438 244 2HD1 ILE 31 2HD1 ILE 31 0.935 9.257 4.812 245 3HD1 ILE 31 3HD1 ILE 31 2.430 10.137 5.130 246 H ILE 32 H ILE 32 1.968 4.051 5.065 247 HA ILE 32 HA ILE 32 -0.495 2.912 6.050 248 HB ILE 32 HB ILE 32 1.258 2.084 3.728 249 1HG1 ILE 32 2HG1 ILE 32 -1.292 3.711 3.778 250 2HG1 ILE 32 1HG1 ILE 32 0.328 4.346 3.493 251 1HG2 ILE 32 1HG2 ILE 32 -0.710 0.873 2.906 252 2HG2 ILE 32 2HG2 ILE 32 -1.569 1.265 4.394 253 3HG2 ILE 32 3HG2 ILE 32 -0.141 0.228 4.446 254 1HD1 ILE 32 1HD1 ILE 32 0.504 3.047 1.459 255 2HD1 ILE 32 2HD1 ILE 32 -0.941 4.057 1.423 256 3HD1 ILE 32 3HD1 ILE 32 -1.080 2.332 1.759 257 H GLU 33 H GLU 33 2.837 2.285 6.413 258 HA GLU 33 HA GLU 33 3.518 -0.239 6.538 259 1HB GLU 33 2HB GLU 33 4.971 1.391 7.450 260 2HB GLU 33 1HB GLU 33 3.829 1.825 8.713 261 1HG GLU 33 2HG GLU 33 4.136 -0.544 9.574 262 2HG GLU 33 1HG GLU 33 5.537 -0.622 8.502 263 H GLY 34 H GLY 34 1.721 1.107 9.330 264 1HA GLY 34 2HA GLY 34 0.785 -1.651 9.837 265 2HA GLY 34 1HA GLY 34 1.243 -0.555 11.133 266 H LYS 35 H LYS 35 -0.445 0.743 8.404 267 HA LYS 35 HA LYS 35 -2.850 0.906 10.089 268 1HB LYS 35 2HB LYS 35 -1.731 3.098 8.346 269 2HB LYS 35 1HB LYS 35 -3.237 3.182 9.247 270 1HG LYS 35 2HG LYS 35 -0.436 3.088 10.323 271 2HG LYS 35 1HG LYS 35 -1.642 4.364 10.512 272 1HD LYS 35 2HD LYS 35 -3.038 2.791 11.818 273 2HD LYS 35 1HD LYS 35 -1.753 1.587 11.687 274 1HE LYS 35 2HE LYS 35 -1.519 2.615 13.810 275 2HE LYS 35 1HE LYS 35 -0.228 3.244 12.790 276 1HZ LYS 35 1HZ LYS 35 -2.787 4.644 13.354 277 2HZ LYS 35 2HZ LYS 35 -1.487 5.259 12.449 278 3HZ LYS 35 3HZ LYS 35 -1.308 4.975 14.112 279 H ARG 36 H ARG 36 -4.119 -0.516 9.172 280 HA ARG 36 HA ARG 36 -4.478 -1.072 6.456 281 1HB ARG 36 2HB ARG 36 -5.324 -2.255 8.620 282 2HB ARG 36 1HB ARG 36 -6.708 -1.183 8.473 283 1HG ARG 36 2HG ARG 36 -5.855 -2.932 6.202 284 2HG ARG 36 1HG ARG 36 -6.865 -3.548 7.507 285 1HD ARG 36 2HD ARG 36 -8.424 -1.607 7.019 286 2HD ARG 36 1HD ARG 36 -7.485 -1.351 5.545 287 HE ARG 36 HE ARG 36 -8.061 -3.910 5.254 288 1HH1 ARG 36 1HH1 ARG 36 -10.149 -1.317 6.373 289 2HH1 ARG 36 2HH1 ARG 36 -11.607 -2.077 5.821 290 1HH2 ARG 36 1HH2 ARG 36 -9.981 -4.929 4.562 291 2HH2 ARG 36 2HH2 ARG 36 -11.517 -4.131 4.789 292 H ASP 37 H ASP 37 -6.077 1.196 8.604 293 HA ASP 37 HA ASP 37 -7.944 2.277 6.821 294 1HB ASP 37 2HB ASP 37 -8.195 2.678 9.164 295 2HB ASP 37 1HB ASP 37 -6.595 3.400 9.277 296 H GLN 38 H GLN 38 -4.542 2.981 7.340 297 HA GLN 38 HA GLN 38 -4.486 5.439 5.966 298 1HB GLN 38 2HB GLN 38 -2.512 3.609 7.073 299 2HB GLN 38 1HB GLN 38 -1.962 4.384 5.592 300 1HG GLN 38 2HG GLN 38 -3.004 5.795 8.039 301 2HG GLN 38 1HG GLN 38 -1.310 5.652 7.567 302 1HE2 GLN 38 1HE2 GLN 38 -2.953 8.035 7.965 303 2HE2 GLN 38 2HE2 GLN 38 -2.903 8.904 6.468 304 H LEU 39 H LEU 39 -3.933 2.084 4.815 305 HA LEU 39 HA LEU 39 -3.295 2.918 2.177 306 1HB LEU 39 2HB LEU 39 -3.358 0.468 3.362 307 2HB LEU 39 1HB LEU 39 -4.791 0.383 2.351 308 HG LEU 39 HG LEU 39 -1.950 0.877 1.431 309 1HD1 LEU 39 1HD1 LEU 39 -2.314 -1.170 0.115 310 2HD1 LEU 39 2HD1 LEU 39 -3.864 -1.385 0.934 311 3HD1 LEU 39 3HD1 LEU 39 -2.363 -1.439 1.860 312 1HD2 LEU 39 1HD2 LEU 39 -3.453 2.263 0.118 313 2HD2 LEU 39 2HD2 LEU 39 -4.471 0.863 -0.219 314 3HD2 LEU 39 3HD2 LEU 39 -2.826 0.925 -0.849 315 H VAL 40 H VAL 40 -6.408 2.158 3.720 316 HA VAL 40 HA VAL 40 -8.073 2.510 1.507 317 HB VAL 40 HB VAL 40 -8.597 3.251 4.397 318 1HG1 VAL 40 1HG1 VAL 40 -10.545 3.058 2.097 319 2HG1 VAL 40 2HG1 VAL 40 -10.081 4.530 2.951 320 3HG1 VAL 40 3HG1 VAL 40 -10.980 3.268 3.792 321 1HG2 VAL 40 1HG2 VAL 40 -9.866 1.175 4.443 322 2HG2 VAL 40 2HG2 VAL 40 -8.190 0.874 3.981 323 3HG2 VAL 40 3HG2 VAL 40 -9.458 0.877 2.754 324 H GLY 41 H GLY 41 -6.922 4.916 3.847 325 1HA GLY 41 2HA GLY 41 -8.064 7.179 2.627 326 2HA GLY 41 1HA GLY 41 -6.653 7.195 3.671 327 H LYS 42 H LYS 42 -4.889 5.680 2.144 328 HA LYS 42 HA LYS 42 -3.850 7.677 0.463 329 1HB LYS 42 2HB LYS 42 -3.125 4.807 0.923 330 2HB LYS 42 1HB LYS 42 -2.301 5.759 -0.301 331 1HG LYS 42 2HG LYS 42 -2.373 6.234 2.664 332 2HG LYS 42 1HG LYS 42 -0.975 5.846 1.653 333 1HD LYS 42 2HD LYS 42 -1.273 8.004 0.485 334 2HD LYS 42 1HD LYS 42 -2.585 8.395 1.601 335 1HE LYS 42 2HE LYS 42 -1.071 8.303 3.475 336 2HE LYS 42 1HE LYS 42 0.241 7.763 2.428 337 1HZ LYS 42 1HZ LYS 42 0.437 10.116 2.896 338 2HZ LYS 42 2HZ LYS 42 -1.115 10.406 2.287 339 3HZ LYS 42 3HZ LYS 42 0.120 9.868 1.249 340 H ILE 43 H ILE 43 -5.540 4.636 -0.345 341 HA ILE 43 HA ILE 43 -5.314 4.852 -3.133 342 HB ILE 43 HB ILE 43 -7.690 3.764 -1.611 343 1HG1 ILE 43 2HG1 ILE 43 -5.229 2.358 -2.665 344 2HG1 ILE 43 1HG1 ILE 43 -5.570 2.685 -0.971 345 1HG2 ILE 43 1HG2 ILE 43 -8.198 4.178 -3.959 346 2HG2 ILE 43 2HG2 ILE 43 -8.101 2.447 -3.637 347 3HG2 ILE 43 3HG2 ILE 43 -6.765 3.267 -4.444 348 1HD1 ILE 43 1HD1 ILE 43 -7.532 1.245 -1.081 349 2HD1 ILE 43 2HD1 ILE 43 -6.062 0.384 -1.541 350 3HD1 ILE 43 3HD1 ILE 43 -7.195 0.919 -2.782 351 H GLN 44 H GLN 44 -7.729 6.175 -0.927 352 HA GLN 44 HA GLN 44 -9.418 7.352 -2.839 353 1HB GLN 44 2HB GLN 44 -8.881 8.255 -0.003 354 2HB GLN 44 1HB GLN 44 -10.261 8.724 -0.981 355 1HG GLN 44 2HG GLN 44 -11.006 6.371 -1.010 356 2HG GLN 44 1HG GLN 44 -9.635 5.956 0.018 357 1HE2 GLN 44 1HE2 GLN 44 -9.665 6.490 2.159 358 2HE2 GLN 44 2HE2 GLN 44 -11.071 7.090 2.968 359 H GLU 45 H GLU 45 -6.522 8.544 -1.235 360 HA GLU 45 HA GLU 45 -6.972 11.231 -2.236 361 1HB GLU 45 2HB GLU 45 -4.739 10.086 -0.566 362 2HB GLU 45 1HB GLU 45 -4.874 11.777 -1.023 363 1HG GLU 45 2HG GLU 45 -7.035 11.887 0.168 364 2HG GLU 45 1HG GLU 45 -6.791 10.223 0.699 365 H ARG 46 H ARG 46 -4.751 8.552 -2.850 366 HA ARG 46 HA ARG 46 -2.958 10.145 -4.392 367 1HB ARG 46 2HB ARG 46 -2.745 7.699 -3.193 368 2HB ARG 46 1HB ARG 46 -2.908 7.238 -4.883 369 1HG ARG 46 2HG ARG 46 -0.589 7.455 -4.373 370 2HG ARG 46 1HG ARG 46 -1.053 8.795 -5.425 371 1HD ARG 46 2HD ARG 46 -1.492 9.891 -2.997 372 2HD ARG 46 1HD ARG 46 -0.161 8.801 -2.616 373 HE ARG 46 HE ARG 46 0.378 10.309 -4.969 374 1HH1 ARG 46 1HH1 ARG 46 0.495 10.418 -1.468 375 2HH1 ARG 46 2HH1 ARG 46 1.540 11.799 -1.426 376 1HH2 ARG 46 1HH2 ARG 46 1.757 12.103 -4.920 377 2HH2 ARG 46 2HH2 ARG 46 2.272 12.760 -3.400 378 H TYR 47 H TYR 47 -5.475 7.785 -5.239 379 HA TYR 47 HA TYR 47 -5.166 8.453 -8.072 380 1HB TYR 47 2HB TYR 47 -6.877 6.448 -6.608 381 2HB TYR 47 1HB TYR 47 -7.007 6.731 -8.337 382 HD1 TYR 47 1HD TYR 47 -5.213 6.050 -9.840 383 HD2 TYR 47 2HD TYR 47 -5.031 5.269 -5.666 384 HE1 TYR 47 1HE TYR 47 -3.416 4.424 -10.233 385 HE2 TYR 47 2HE TYR 47 -3.233 3.651 -6.039 386 HH TYR 47 HH TYR 47 -2.472 2.170 -8.052 387 H GLY 48 H GLY 48 -7.548 8.553 -5.504 388 1HA GLY 48 2HA GLY 48 -9.184 10.338 -5.358 389 2HA GLY 48 1HA GLY 48 -9.153 10.436 -7.116 390 H TYR 49 H TYR 49 -9.754 8.029 -4.582 391 HA TYR 49 HA TYR 49 -12.041 7.050 -6.162 392 1HB TYR 49 2HB TYR 49 -10.085 5.511 -4.458 393 2HB TYR 49 1HB TYR 49 -11.632 4.849 -4.968 394 HD1 TYR 49 1HD TYR 49 -11.935 5.515 -7.705 395 HD2 TYR 49 2HD TYR 49 -8.363 4.540 -5.616 396 HE1 TYR 49 1HE TYR 49 -10.939 4.718 -9.805 397 HE2 TYR 49 2HE TYR 49 -7.353 3.744 -7.715 398 HH TYR 49 HH TYR 49 -8.610 4.413 -10.737 399 H GLN 50 H GLN 50 -13.766 6.091 -4.914 400 HA GLN 50 HA GLN 50 -14.353 7.570 -2.511 401 1HB GLN 50 2HB GLN 50 -15.859 5.336 -3.890 402 2HB GLN 50 1HB GLN 50 -16.474 6.283 -2.541 403 1HG GLN 50 2HG GLN 50 -15.726 7.386 -5.241 404 2HG GLN 50 1HG GLN 50 -17.365 7.026 -4.703 405 1HE2 GLN 50 1HE2 GLN 50 -14.655 9.181 -4.402 406 2HE2 GLN 50 2HE2 GLN 50 -15.481 10.418 -3.524 407 H LYS 51 H LYS 51 -14.874 6.562 -0.467 408 HA LYS 51 HA LYS 51 -12.896 4.833 0.468 409 1HB LYS 51 2HB LYS 51 -14.059 6.334 1.951 410 2HB LYS 51 1HB LYS 51 -15.594 5.551 1.614 411 1HG LYS 51 2HG LYS 51 -14.880 3.559 2.756 412 2HG LYS 51 1HG LYS 51 -13.266 4.233 2.989 413 1HD LYS 51 2HD LYS 51 -14.045 5.851 4.507 414 2HD LYS 51 1HD LYS 51 -15.728 5.600 4.035 415 1HE LYS 51 2HE LYS 51 -14.008 3.556 5.421 416 2HE LYS 51 1HE LYS 51 -15.155 4.619 6.236 417 1HZ LYS 51 1HZ LYS 51 -15.728 2.459 4.289 418 2HZ LYS 51 2HZ LYS 51 -16.875 3.644 4.694 419 3HZ LYS 51 3HZ LYS 51 -16.279 2.601 5.890 420 H ASP 52 H ASP 52 -16.112 4.232 -0.745 421 HA ASP 52 HA ASP 52 -16.500 1.583 -0.003 422 1HB ASP 52 2HB ASP 52 -18.181 3.029 -1.133 423 2HB ASP 52 1HB ASP 52 -17.275 2.870 -2.629 424 H GLN 53 H GLN 53 -15.065 2.845 -2.996 425 HA GLN 53 HA GLN 53 -14.391 0.264 -3.998 426 1HB GLN 53 2HB GLN 53 -14.843 2.289 -5.398 427 2HB GLN 53 1HB GLN 53 -13.317 2.953 -4.841 428 1HG GLN 53 2HG GLN 53 -12.156 1.000 -5.815 429 2HG GLN 53 1HG GLN 53 -13.702 0.437 -6.449 430 1HE2 GLN 53 1HE2 GLN 53 -11.346 1.091 -7.931 431 2HE2 GLN 53 2HE2 GLN 53 -11.758 2.405 -8.981 432 H ALA 54 H ALA 54 -12.742 2.765 -2.176 433 HA ALA 54 HA ALA 54 -10.109 1.840 -2.462 434 1HB ALA 54 1HB ALA 54 -9.600 3.151 -0.478 435 2HB ALA 54 2HB ALA 54 -11.320 3.284 -0.109 436 3HB ALA 54 3HB ALA 54 -10.665 4.046 -1.559 437 H GLU 55 H GLU 55 -12.558 1.117 0.027 438 HA GLU 55 HA GLU 55 -10.910 -0.600 1.540 439 1HB GLU 55 2HB GLU 55 -13.921 -0.482 1.313 440 2HB GLU 55 1HB GLU 55 -13.055 -1.454 2.495 441 1HG GLU 55 2HG GLU 55 -12.054 0.580 3.419 442 2HG GLU 55 1HG GLU 55 -12.954 1.545 2.251 443 H LYS 56 H LYS 56 -13.080 -1.166 -1.185 444 HA LYS 56 HA LYS 56 -12.964 -3.970 -1.191 445 1HB LYS 56 2HB LYS 56 -13.343 -1.982 -3.425 446 2HB LYS 56 1HB LYS 56 -13.423 -3.718 -3.681 447 1HG LYS 56 2HG LYS 56 -15.288 -3.878 -2.122 448 2HG LYS 56 1HG LYS 56 -15.197 -2.140 -1.830 449 1HD LYS 56 2HD LYS 56 -15.820 -1.646 -4.074 450 2HD LYS 56 1HD LYS 56 -15.642 -3.332 -4.559 451 1HE LYS 56 2HE LYS 56 -17.993 -2.728 -4.315 452 2HE LYS 56 1HE LYS 56 -17.523 -3.949 -3.139 453 1HZ LYS 56 1HZ LYS 56 -17.729 -1.040 -2.561 454 2HZ LYS 56 2HZ LYS 56 -17.404 -2.278 -1.439 455 3HZ LYS 56 3HZ LYS 56 -18.920 -2.188 -2.188 456 H GLU 57 H GLU 57 -10.872 -1.563 -2.742 457 HA GLU 57 HA GLU 57 -9.178 -3.478 -3.976 458 1HB GLU 57 2HB GLU 57 -8.741 -0.565 -3.325 459 2HB GLU 57 1HB GLU 57 -7.617 -1.538 -4.263 460 1HG GLU 57 2HG GLU 57 -10.459 -0.871 -4.983 461 2HG GLU 57 1HG GLU 57 -8.997 -0.235 -5.737 462 H VAL 58 H VAL 58 -9.102 -1.823 -0.859 463 HA VAL 58 HA VAL 58 -6.506 -2.622 -0.109 464 HB VAL 58 HB VAL 58 -8.902 -2.008 1.629 465 1HG1 VAL 58 1HG1 VAL 58 -7.330 -1.815 3.492 466 2HG1 VAL 58 2HG1 VAL 58 -6.013 -2.340 2.443 467 3HG1 VAL 58 3HG1 VAL 58 -7.324 -3.453 2.834 468 1HG2 VAL 58 1HG2 VAL 58 -7.762 0.115 2.007 469 2HG2 VAL 58 2HG2 VAL 58 -8.078 -0.133 0.290 470 3HG2 VAL 58 3HG2 VAL 58 -6.456 -0.388 0.932 471 H VAL 59 H VAL 59 -9.675 -4.170 0.437 472 HA VAL 59 HA VAL 59 -8.717 -6.405 1.858 473 HB VAL 59 HB VAL 59 -11.125 -6.237 0.030 474 1HG1 VAL 59 1HG1 VAL 59 -10.458 -8.261 2.165 475 2HG1 VAL 59 2HG1 VAL 59 -10.481 -8.554 0.426 476 3HG1 VAL 59 3HG1 VAL 59 -11.977 -8.168 1.276 477 1HG2 VAL 59 1HG2 VAL 59 -12.394 -5.880 2.090 478 2HG2 VAL 59 2HG2 VAL 59 -11.191 -4.612 1.843 479 3HG2 VAL 59 3HG2 VAL 59 -10.894 -5.896 3.016 480 H ASP 60 H ASP 60 -9.043 -5.770 -1.570 481 HA ASP 60 HA ASP 60 -8.499 -8.329 -2.576 482 1HB ASP 60 2HB ASP 60 -9.370 -6.224 -3.771 483 2HB ASP 60 1HB ASP 60 -7.687 -5.742 -3.903 484 H TRP 61 H TRP 61 -6.304 -5.558 -2.098 485 HA TRP 61 HA TRP 61 -3.909 -6.953 -2.647 486 1HB TRP 61 2HB TRP 61 -3.936 -4.534 -2.663 487 2HB TRP 61 1HB TRP 61 -4.447 -4.483 -0.978 488 HD1 TRP 61 HD TRP 61 -1.359 -4.989 -3.158 489 HE1 TRP 61 1HE TRP 61 0.739 -4.892 -1.670 490 HE3 TRP 61 3HE TRP 61 -3.614 -4.890 1.431 491 HZ2 TRP 61 2HZ TRP 61 1.356 -4.791 1.085 492 HZ3 TRP 61 3HZ TRP 61 -2.202 -4.787 3.440 493 HH2 TRP 61 HH TRP 61 0.234 -4.739 3.270 494 H GLU 62 H GLU 62 -5.759 -6.427 0.280 495 HA GLU 62 HA GLU 62 -3.959 -7.230 2.227 496 1HB GLU 62 2HB GLU 62 -6.387 -6.260 2.371 497 2HB GLU 62 1HB GLU 62 -6.866 -7.949 2.414 498 1HG GLU 62 2HG GLU 62 -6.576 -7.877 4.603 499 2HG GLU 62 1HG GLU 62 -4.842 -7.746 4.305 500 H THR 63 H THR 63 -6.376 -9.200 0.507 501 HA THR 63 HA THR 63 -5.630 -11.600 1.831 502 HB THR 63 HB THR 63 -7.893 -11.214 0.866 503 HG1 THR 63 1HG THR 63 -6.829 -13.387 1.224 504 1HG2 THR 63 1HG2 THR 63 -7.293 -10.183 -1.246 505 2HG2 THR 63 2HG2 THR 63 -8.239 -11.643 -1.533 506 3HG2 THR 63 3HG2 THR 63 -6.491 -11.666 -1.768 507 H ARG 64 H ARG 64 -4.464 -9.989 -1.035 508 HA ARG 64 HA ARG 64 -3.140 -12.165 -2.241 509 1HB ARG 64 2HB ARG 64 -2.740 -9.208 -2.254 510 2HB ARG 64 1HB ARG 64 -1.481 -10.230 -2.928 511 1HG ARG 64 2HG ARG 64 -3.164 -11.216 -4.452 512 2HG ARG 64 1HG ARG 64 -4.348 -10.063 -3.823 513 1HD ARG 64 2HD ARG 64 -3.030 -8.209 -4.598 514 2HD ARG 64 1HD ARG 64 -1.720 -9.286 -5.077 515 HE ARG 64 HE ARG 64 -2.893 -9.849 -6.984 516 1HH1 ARG 64 1HH1 ARG 64 -4.886 -7.983 -4.828 517 2HH1 ARG 64 2HH1 ARG 64 -6.105 -7.631 -6.016 518 1HH2 ARG 64 1HH2 ARG 64 -4.477 -9.388 -8.588 519 2HH2 ARG 64 2HH2 ARG 64 -5.873 -8.437 -8.160 520 H ASN 65 H ASN 65 -2.137 -9.995 0.362 521 HA ASN 65 HA ASN 65 0.478 -11.333 0.423 522 1HB ASN 65 2HB ASN 65 -0.367 -8.662 1.553 523 2HB ASN 65 1HB ASN 65 1.246 -9.355 1.701 524 1HD2 ASN 65 1HD2 ASN 65 -1.056 -7.872 -0.417 525 2HD2 ASN 65 2HD2 ASN 65 0.034 -7.596 -1.728 526 H GLU 66 H GLU 66 -1.610 -9.746 2.797 527 HA GLU 66 HA GLU 66 -2.799 -10.677 4.551 528 1HB GLU 66 2HB GLU 66 -1.165 -13.134 3.950 529 2HB GLU 66 1HB GLU 66 -2.169 -13.015 5.386 530 1HG GLU 66 2HG GLU 66 -3.262 -12.607 2.622 531 2HG GLU 66 1HG GLU 66 -3.154 -14.197 3.376 532 H TYR 67 H TYR 67 0.689 -10.908 4.377 533 HA TYR 67 HA TYR 67 1.097 -10.856 7.199 534 1HB TYR 67 2HB TYR 67 2.771 -11.714 5.575 535 2HB TYR 67 1HB TYR 67 3.010 -10.073 4.989 536 HD1 TYR 67 1HD TYR 67 3.267 -12.172 8.045 537 HD2 TYR 67 2HD TYR 67 4.592 -8.685 6.001 538 HE1 TYR 67 1HE TYR 67 4.998 -11.835 9.752 539 HE2 TYR 67 2HE TYR 67 6.328 -8.334 7.702 540 HH TYR 67 HH TYR 67 6.760 -8.955 10.075 541 H ARG 68 H ARG 68 -0.185 -9.168 7.964 542 HA ARG 68 HA ARG 68 1.051 -6.547 7.834 543 1HB ARG 68 2HB ARG 68 -0.583 -6.763 5.887 544 2HB ARG 68 1HB ARG 68 -1.860 -6.841 7.090 545 1HG ARG 68 2HG ARG 68 -1.181 -4.619 7.912 546 2HG ARG 68 1HG ARG 68 0.026 -4.542 6.624 547 1HD ARG 68 2HD ARG 68 -1.802 -4.862 4.976 548 2HD ARG 68 1HD ARG 68 -2.959 -4.766 6.300 549 HE ARG 68 HE ARG 68 -1.280 -2.491 6.292 550 1HH1 ARG 68 1HH1 ARG 68 -4.021 -3.950 4.670 551 2HH1 ARG 68 2HH1 ARG 68 -4.598 -2.439 4.025 552 1HH2 ARG 68 1HH2 ARG 68 -2.061 -0.498 5.484 553 2HH2 ARG 68 2HH2 ARG 68 -3.484 -0.478 4.495 554 H TRP 69 H TRP 69 -0.223 -8.926 9.589 555 HA TRP 69 HA TRP 69 -1.842 -7.281 11.376 556 1HB TRP 69 2HB TRP 69 -2.663 -9.528 10.532 557 2HB TRP 69 1HB TRP 69 -1.397 -10.272 11.504 558 HD1 TRP 69 HD TRP 69 -2.143 -10.985 13.842 559 HE1 TRP 69 1HE TRP 69 -4.062 -10.359 15.446 560 HE3 TRP 69 3HE TRP 69 -4.269 -7.230 11.106 561 HZ2 TRP 69 2HZ TRP 69 -6.192 -8.507 15.522 562 HZ3 TRP 69 3HZ TRP 69 -6.245 -6.079 12.016 563 HH2 TRP 69 HH TRP 69 -7.184 -6.707 14.177 Start of MODEL 19 1 1H MET 1 1HT MET 1 -2.702 0.568 21.808 2 2H MET 1 2HT MET 1 -2.973 0.575 20.136 3 3H MET 1 3HT MET 1 -1.843 1.641 20.816 4 HA MET 1 HA MET 1 -0.474 -0.208 21.509 5 1HB MET 1 2HB MET 1 -0.946 -2.454 20.736 6 2HB MET 1 1HB MET 1 -2.302 -1.866 21.680 7 1HG MET 1 2HG MET 1 -3.414 -2.837 19.956 8 2HG MET 1 1HG MET 1 -3.241 -1.203 19.318 9 1HE MET 1 1HE MET 1 -1.987 -4.905 19.175 10 2HE MET 1 2HE MET 1 -0.522 -4.045 19.648 11 3HE MET 1 3HE MET 1 -0.629 -4.797 18.055 12 H ASN 2 H ASN 2 1.197 -0.949 20.105 13 HA ASN 2 HA ASN 2 1.153 0.453 17.555 14 1HB ASN 2 2HB ASN 2 3.583 0.249 17.575 15 2HB ASN 2 1HB ASN 2 3.031 0.942 19.096 16 1HD2 ASN 2 1HD2 ASN 2 5.450 -0.652 18.248 17 2HD2 ASN 2 2HD2 ASN 2 5.549 -1.928 19.419 18 H LYS 3 H LYS 3 1.619 -0.558 15.619 19 HA LYS 3 HA LYS 3 1.163 -3.383 15.455 20 1HB LYS 3 2HB LYS 3 0.769 -1.469 13.664 21 2HB LYS 3 1HB LYS 3 2.432 -1.833 13.221 22 1HG LYS 3 2HG LYS 3 0.933 -3.081 11.815 23 2HG LYS 3 1HG LYS 3 1.791 -4.193 12.885 24 1HD LYS 3 2HD LYS 3 -0.150 -4.248 14.378 25 2HD LYS 3 1HD LYS 3 -1.004 -3.135 13.310 26 1HE LYS 3 2HE LYS 3 -0.858 -4.804 11.504 27 2HE LYS 3 1HE LYS 3 -0.071 -5.919 12.622 28 1HZ LYS 3 1HZ LYS 3 -2.409 -6.420 12.483 29 2HZ LYS 3 2HZ LYS 3 -2.822 -4.821 12.869 30 3HZ LYS 3 3HZ LYS 3 -2.069 -5.804 14.028 31 H ASP 4 H ASP 4 2.767 -4.969 14.793 32 HA ASP 4 HA ASP 4 5.164 -4.694 16.238 33 1HB ASP 4 2HB ASP 4 3.864 -6.843 15.309 34 2HB ASP 4 1HB ASP 4 5.077 -6.697 14.039 35 H GLU 5 H GLU 5 7.252 -4.306 15.587 36 HA GLU 5 HA GLU 5 7.401 -2.258 13.659 37 1HB GLU 5 2HB GLU 5 9.836 -2.253 14.212 38 2HB GLU 5 1HB GLU 5 8.766 -2.101 15.597 39 1HG GLU 5 2HG GLU 5 9.053 -4.557 15.971 40 2HG GLU 5 1HG GLU 5 10.296 -4.531 14.719 41 H ALA 6 H ALA 6 7.887 -2.244 11.626 42 HA ALA 6 HA ALA 6 8.763 -4.735 10.347 43 1HB ALA 6 1HB ALA 6 7.849 -3.773 8.285 44 2HB ALA 6 2HB ALA 6 7.415 -2.304 9.161 45 3HB ALA 6 3HB ALA 6 6.633 -3.834 9.559 46 H GLY 7 H GLY 7 10.884 -4.818 9.992 47 1HA GLY 7 2HA GLY 7 12.325 -2.291 9.494 48 2HA GLY 7 1HA GLY 7 13.040 -3.734 10.195 49 H GLY 8 H GLY 8 12.450 -5.730 8.548 50 1HA GLY 8 2HA GLY 8 13.722 -4.890 6.026 51 2HA GLY 8 1HA GLY 8 13.699 -6.528 6.666 52 H ASN 9 H ASN 9 10.885 -6.468 7.315 53 HA ASN 9 HA ASN 9 9.910 -7.439 4.826 54 1HB ASN 9 2HB ASN 9 7.797 -7.847 6.070 55 2HB ASN 9 1HB ASN 9 9.211 -8.516 6.872 56 1HD2 ASN 9 1HD2 ASN 9 6.577 -7.757 7.927 57 2HD2 ASN 9 2HD2 ASN 9 6.889 -6.630 9.200 58 H TRP 10 H TRP 10 9.645 -4.377 6.473 59 HA TRP 10 HA TRP 10 7.293 -3.496 5.151 60 1HB TRP 10 2HB TRP 10 7.528 -1.539 6.296 61 2HB TRP 10 1HB TRP 10 8.612 -2.525 7.262 62 HD1 TRP 10 HD TRP 10 11.348 -2.253 6.462 63 HE1 TRP 10 1HE TRP 10 12.571 -0.062 5.880 64 HE3 TRP 10 3HE TRP 10 7.290 0.688 5.434 65 HZ2 TRP 10 2HZ TRP 10 11.892 2.572 5.101 66 HZ3 TRP 10 3HZ TRP 10 7.662 3.031 4.788 67 HH2 TRP 10 HH TRP 10 9.917 3.953 4.626 68 H LYS 11 H LYS 11 10.699 -3.387 4.372 69 HA LYS 11 HA LYS 11 10.561 -1.638 2.165 70 1HB LYS 11 2HB LYS 11 12.671 -2.222 3.270 71 2HB LYS 11 1HB LYS 11 12.497 -3.889 2.745 72 1HG LYS 11 2HG LYS 11 12.624 -3.119 0.397 73 2HG LYS 11 1HG LYS 11 12.923 -1.483 0.990 74 1HD LYS 11 2HD LYS 11 14.945 -2.235 2.109 75 2HD LYS 11 1HD LYS 11 14.632 -3.896 1.597 76 1HE LYS 11 2HE LYS 11 14.796 -3.166 -0.754 77 2HE LYS 11 1HE LYS 11 15.180 -1.536 -0.203 78 1HZ LYS 11 1HZ LYS 11 16.787 -3.971 0.357 79 2HZ LYS 11 2HZ LYS 11 17.163 -2.398 0.873 80 3HZ LYS 11 3HZ LYS 11 17.176 -2.776 -0.782 81 H GLN 12 H GLN 12 10.162 -5.102 2.526 82 HA GLN 12 HA GLN 12 10.061 -5.831 -0.174 83 1HB GLN 12 2HB GLN 12 10.296 -7.478 1.592 84 2HB GLN 12 1HB GLN 12 8.717 -7.060 2.237 85 1HG GLN 12 2HG GLN 12 7.682 -7.876 0.153 86 2HG GLN 12 1HG GLN 12 9.278 -8.365 -0.417 87 1HE2 GLN 12 1HE2 GLN 12 8.654 -10.529 -0.542 88 2HE2 GLN 12 2HE2 GLN 12 8.429 -11.504 0.874 89 H PHE 13 H PHE 13 7.483 -4.822 2.057 90 HA PHE 13 HA PHE 13 5.500 -5.195 0.009 91 1HB PHE 13 2HB PHE 13 5.359 -4.302 2.862 92 2HB PHE 13 1HB PHE 13 3.956 -4.186 1.788 93 HD1 PHE 13 1HD PHE 13 2.754 -6.105 1.123 94 HD2 PHE 13 2HD PHE 13 6.422 -6.462 3.231 95 HE1 PHE 13 1HE PHE 13 2.407 -8.506 1.314 96 HE2 PHE 13 2HE PHE 13 6.081 -8.860 3.444 97 HZ PHE 13 HZ PHE 13 4.061 -9.917 2.490 98 H LYS 14 H LYS 14 7.533 -2.694 0.929 99 HA LYS 14 HA LYS 14 6.044 -0.538 -0.150 100 1HB LYS 14 2HB LYS 14 9.037 -0.994 -0.139 101 2HB LYS 14 1HB LYS 14 8.274 0.502 -0.661 102 1HG LYS 14 2HG LYS 14 7.255 0.704 1.592 103 2HG LYS 14 1HG LYS 14 8.178 -0.713 2.089 104 1HD LYS 14 2HD LYS 14 9.392 1.185 2.815 105 2HD LYS 14 1HD LYS 14 10.253 0.543 1.416 106 1HE LYS 14 2HE LYS 14 9.353 2.250 -0.002 107 2HE LYS 14 1HE LYS 14 8.267 2.805 1.273 108 1HZ LYS 14 1HZ LYS 14 10.217 3.448 2.572 109 2HZ LYS 14 2HZ LYS 14 10.166 4.267 1.096 110 3HZ LYS 14 3HZ LYS 14 11.239 2.965 1.314 111 H GLY 15 H GLY 15 7.983 -3.081 -1.582 112 1HA GLY 15 2HA GLY 15 7.646 -2.194 -4.279 113 2HA GLY 15 1HA GLY 15 8.161 -3.795 -3.766 114 H LYS 16 H LYS 16 6.004 -4.588 -2.229 115 HA LYS 16 HA LYS 16 4.274 -5.564 -4.217 116 1HB LYS 16 2HB LYS 16 4.457 -5.781 -1.289 117 2HB LYS 16 1HB LYS 16 2.849 -6.021 -1.954 118 1HG LYS 16 2HG LYS 16 4.203 -8.101 -1.670 119 2HG LYS 16 1HG LYS 16 3.586 -7.838 -3.302 120 1HD LYS 16 2HD LYS 16 5.857 -6.729 -3.756 121 2HD LYS 16 1HD LYS 16 6.381 -7.512 -2.266 122 1HE LYS 16 2HE LYS 16 6.095 -9.653 -3.145 123 2HE LYS 16 1HE LYS 16 5.051 -9.082 -4.445 124 1HZ LYS 16 1HZ LYS 16 7.972 -8.579 -4.202 125 2HZ LYS 16 2HZ LYS 16 6.971 -7.970 -5.433 126 3HZ LYS 16 3HZ LYS 16 7.226 -9.646 -5.293 127 H VAL 17 H VAL 17 3.693 -3.031 -1.746 128 HA VAL 17 HA VAL 17 1.090 -2.421 -2.623 129 HB VAL 17 HB VAL 17 3.087 -0.532 -1.362 130 1HG1 VAL 17 1HG1 VAL 17 0.096 -0.295 -1.663 131 2HG1 VAL 17 2HG1 VAL 17 1.314 0.699 -2.465 132 3HG1 VAL 17 3HG1 VAL 17 1.121 0.784 -0.715 133 1HG2 VAL 17 1HG2 VAL 17 1.901 -1.006 0.719 134 2HG2 VAL 17 2HG2 VAL 17 2.614 -2.469 0.038 135 3HG2 VAL 17 3HG2 VAL 17 0.881 -2.174 -0.124 136 H LYS 18 H LYS 18 4.255 -1.264 -3.831 137 HA LYS 18 HA LYS 18 3.022 0.557 -5.666 138 1HB LYS 18 2HB LYS 18 5.824 -0.537 -5.516 139 2HB LYS 18 1HB LYS 18 5.304 0.561 -6.789 140 1HG LYS 18 2HG LYS 18 4.547 2.102 -4.890 141 2HG LYS 18 1HG LYS 18 5.536 1.079 -3.849 142 1HD LYS 18 2HD LYS 18 6.878 2.934 -4.506 143 2HD LYS 18 1HD LYS 18 7.457 1.529 -5.403 144 1HE LYS 18 2HE LYS 18 6.239 2.241 -7.370 145 2HE LYS 18 1HE LYS 18 5.542 3.594 -6.478 146 1HZ LYS 18 1HZ LYS 18 8.458 3.242 -6.908 147 2HZ LYS 18 2HZ LYS 18 7.663 4.613 -6.299 148 3HZ LYS 18 3HZ LYS 18 7.466 4.169 -7.921 149 H GLU 19 H GLU 19 3.881 -2.835 -5.814 150 HA GLU 19 HA GLU 19 3.329 -3.172 -8.589 151 1HB GLU 19 2HB GLU 19 3.183 -5.104 -6.265 152 2HB GLU 19 1HB GLU 19 2.915 -5.578 -7.935 153 1HG GLU 19 2HG GLU 19 5.187 -4.902 -8.498 154 2HG GLU 19 1HG GLU 19 5.453 -4.404 -6.826 155 H GLN 20 H GLN 20 1.433 -3.332 -5.656 156 HA GLN 20 HA GLN 20 -1.070 -4.031 -6.655 157 1HB GLN 20 2HB GLN 20 -0.739 -4.055 -4.338 158 2HB GLN 20 1HB GLN 20 -0.081 -2.439 -4.315 159 1HG GLN 20 2HG GLN 20 -2.209 -2.419 -3.253 160 2HG GLN 20 1HG GLN 20 -2.329 -1.549 -4.772 161 1HE2 GLN 20 1HE2 GLN 20 -4.598 -1.814 -4.634 162 2HE2 GLN 20 2HE2 GLN 20 -5.325 -3.311 -5.059 163 H TRP 21 H TRP 21 0.083 -0.773 -5.856 164 HA TRP 21 HA TRP 21 -1.836 0.267 -7.821 165 1HB TRP 21 2HB TRP 21 -1.018 1.286 -5.120 166 2HB TRP 21 1HB TRP 21 -1.682 2.386 -6.317 167 HD1 TRP 21 HD TRP 21 -3.019 1.119 -3.460 168 HE1 TRP 21 1HE TRP 21 -5.455 0.295 -3.649 169 HE3 TRP 21 3HE TRP 21 -3.322 0.589 -8.544 170 HZ2 TRP 21 2HZ TRP 21 -7.249 -0.476 -5.675 171 HZ3 TRP 21 3HZ TRP 21 -5.438 -0.196 -9.521 172 HH2 TRP 21 HH TRP 21 -7.361 -0.718 -8.115 173 H GLY 22 H GLY 22 1.034 1.619 -6.169 174 1HA GLY 22 2HA GLY 22 3.091 2.118 -7.232 175 2HA GLY 22 1HA GLY 22 2.306 1.909 -8.790 176 H LYS 23 H LYS 23 0.035 3.627 -7.927 177 HA LYS 23 HA LYS 23 1.058 6.169 -8.698 178 1HB LYS 23 2HB LYS 23 -1.481 4.962 -8.430 179 2HB LYS 23 1HB LYS 23 -1.489 6.356 -7.358 180 1HG LYS 23 2HG LYS 23 -0.562 6.589 -10.188 181 2HG LYS 23 1HG LYS 23 -2.276 6.657 -9.772 182 1HD LYS 23 2HD LYS 23 -1.978 8.598 -8.455 183 2HD LYS 23 1HD LYS 23 -0.222 8.419 -8.448 184 1HE LYS 23 2HE LYS 23 -0.134 8.903 -10.820 185 2HE LYS 23 1HE LYS 23 -1.892 8.957 -10.904 186 1HZ LYS 23 1HZ LYS 23 -0.181 10.833 -9.357 187 2HZ LYS 23 2HZ LYS 23 -1.872 10.900 -9.482 188 3HZ LYS 23 3HZ LYS 23 -0.910 11.163 -10.853 189 H LEU 24 H LEU 24 1.189 4.514 -5.866 190 HA LEU 24 HA LEU 24 0.856 6.734 -4.044 191 1HB LEU 24 2HB LEU 24 1.651 3.860 -3.589 192 2HB LEU 24 1HB LEU 24 1.300 5.017 -2.317 193 HG LEU 24 HG LEU 24 -0.662 4.027 -4.394 194 1HD1 LEU 24 1HD1 LEU 24 -0.494 3.457 -1.445 195 2HD1 LEU 24 2HD1 LEU 24 -0.065 2.332 -2.737 196 3HD1 LEU 24 3HD1 LEU 24 -1.734 2.875 -2.558 197 1HD2 LEU 24 1HD2 LEU 24 -1.162 6.301 -3.753 198 2HD2 LEU 24 2HD2 LEU 24 -1.028 5.877 -2.048 199 3HD2 LEU 24 3HD2 LEU 24 -2.335 5.203 -3.023 200 H THR 25 H THR 25 2.652 6.901 -2.301 201 HA THR 25 HA THR 25 5.269 6.946 -3.639 202 HB THR 25 HB THR 25 5.577 9.222 -2.493 203 HG1 THR 25 1HG THR 25 3.892 10.003 -1.472 204 1HG2 THR 25 1HG2 THR 25 3.594 8.951 -4.751 205 2HG2 THR 25 2HG2 THR 25 5.350 8.956 -4.913 206 3HG2 THR 25 3HG2 THR 25 4.510 10.409 -4.362 207 H ASP 26 H ASP 26 6.820 8.046 -1.702 208 HA ASP 26 HA ASP 26 7.155 5.849 0.039 209 1HB ASP 26 2HB ASP 26 9.021 7.275 -0.732 210 2HB ASP 26 1HB ASP 26 8.397 8.603 0.243 211 H ASP 27 H ASP 27 5.684 9.024 0.503 212 HA ASP 27 HA ASP 27 5.282 8.820 3.301 213 1HB ASP 27 2HB ASP 27 3.497 10.512 3.000 214 2HB ASP 27 1HB ASP 27 5.010 10.970 2.239 215 H ASP 28 H ASP 28 3.707 7.341 0.629 216 HA ASP 28 HA ASP 28 1.342 6.501 2.003 217 1HB ASP 28 2HB ASP 28 1.448 6.300 -0.410 218 2HB ASP 28 1HB ASP 28 2.879 5.334 -0.319 219 H MET 29 H MET 29 4.293 4.936 1.069 220 HA MET 29 HA MET 29 3.581 2.442 2.074 221 1HB MET 29 2HB MET 29 6.433 3.138 1.739 222 2HB MET 29 1HB MET 29 5.539 1.753 1.156 223 1HG MET 29 2HG MET 29 4.430 3.760 -0.279 224 2HG MET 29 1HG MET 29 6.098 4.304 -0.122 225 1HE MET 29 1HE MET 29 4.547 0.582 -2.262 226 2HE MET 29 2HE MET 29 3.595 1.931 -1.635 227 3HE MET 29 3HE MET 29 4.345 0.786 -0.524 228 H THR 30 H THR 30 5.486 5.046 3.476 229 HA THR 30 HA THR 30 6.483 3.585 5.686 230 HB THR 30 HB THR 30 6.013 6.570 5.519 231 HG1 THR 30 1HG THR 30 7.380 6.263 3.876 232 1HG2 THR 30 1HG2 THR 30 6.518 5.774 7.777 233 2HG2 THR 30 2HG2 THR 30 7.873 6.694 7.123 234 3HG2 THR 30 3HG2 THR 30 7.944 4.932 7.169 235 H ILE 31 H ILE 31 3.504 5.408 5.153 236 HA ILE 31 HA ILE 31 2.768 5.151 7.962 237 HB ILE 31 HB ILE 31 0.990 6.313 5.832 238 1HG1 ILE 31 2HG1 ILE 31 3.318 7.688 7.211 239 2HG1 ILE 31 1HG1 ILE 31 3.058 7.483 5.487 240 1HG2 ILE 31 1HG2 ILE 31 0.016 5.935 8.027 241 2HG2 ILE 31 2HG2 ILE 31 0.165 7.665 7.714 242 3HG2 ILE 31 3HG2 ILE 31 1.312 6.859 8.786 243 1HD1 ILE 31 1HD1 ILE 31 2.601 9.762 6.231 244 2HD1 ILE 31 2HD1 ILE 31 1.340 9.153 7.303 245 3HD1 ILE 31 3HD1 ILE 31 1.168 8.986 5.556 246 H ILE 32 H ILE 32 2.178 3.635 4.930 247 HA ILE 32 HA ILE 32 -0.388 2.523 5.697 248 HB ILE 32 HB ILE 32 1.133 2.819 3.162 249 1HG1 ILE 32 2HG1 ILE 32 -1.051 3.551 2.331 250 2HG1 ILE 32 1HG1 ILE 32 -1.789 3.114 3.866 251 1HG2 ILE 32 1HG2 ILE 32 -0.313 1.280 1.943 252 2HG2 ILE 32 2HG2 ILE 32 -1.022 0.735 3.464 253 3HG2 ILE 32 3HG2 ILE 32 0.683 0.429 3.126 254 1HD1 ILE 32 1HD1 ILE 32 -1.468 5.485 3.732 255 2HD1 ILE 32 2HD1 ILE 32 0.252 5.268 3.409 256 3HD1 ILE 32 3HD1 ILE 32 -0.414 4.812 4.977 257 H GLU 33 H GLU 33 2.883 1.524 5.799 258 HA GLU 33 HA GLU 33 3.043 -0.980 4.849 259 1HB GLU 33 2HB GLU 33 4.952 -1.292 6.095 260 2HB GLU 33 1HB GLU 33 4.789 0.452 6.131 261 1HG GLU 33 2HG GLU 33 3.864 -1.354 8.353 262 2HG GLU 33 1HG GLU 33 5.463 -0.625 8.286 263 H GLY 34 H GLY 34 1.656 -0.255 8.059 264 1HA GLY 34 2HA GLY 34 0.650 -3.042 8.059 265 2HA GLY 34 1HA GLY 34 1.284 -2.280 9.508 266 H LYS 35 H LYS 35 -0.556 -0.191 7.488 267 HA LYS 35 HA LYS 35 -2.848 -0.585 9.299 268 1HB LYS 35 2HB LYS 35 -1.893 2.071 8.225 269 2HB LYS 35 1HB LYS 35 -3.282 1.817 9.267 270 1HG LYS 35 2HG LYS 35 -1.710 2.546 10.768 271 2HG LYS 35 1HG LYS 35 -1.519 0.796 10.899 272 1HD LYS 35 2HD LYS 35 0.409 0.818 9.524 273 2HD LYS 35 1HD LYS 35 0.126 2.488 9.043 274 1HE LYS 35 2HE LYS 35 0.445 3.092 11.492 275 2HE LYS 35 1HE LYS 35 1.048 1.450 11.713 276 1HZ LYS 35 1HZ LYS 35 2.914 2.841 11.331 277 2HZ LYS 35 2HZ LYS 35 2.195 3.572 9.990 278 3HZ LYS 35 3HZ LYS 35 2.689 1.957 9.902 279 H ARG 36 H ARG 36 -4.505 -1.314 8.261 280 HA ARG 36 HA ARG 36 -4.898 -1.241 5.464 281 1HB ARG 36 2HB ARG 36 -5.853 -2.979 6.899 282 2HB ARG 36 1HB ARG 36 -6.831 -1.785 7.732 283 1HG ARG 36 2HG ARG 36 -7.166 -2.093 4.797 284 2HG ARG 36 1HG ARG 36 -7.832 -3.327 5.863 285 1HD ARG 36 2HD ARG 36 -8.570 -0.881 6.999 286 2HD ARG 36 1HD ARG 36 -8.819 -0.683 5.262 287 HE ARG 36 HE ARG 36 -9.880 -3.138 6.390 288 1HH1 ARG 36 1HH1 ARG 36 -10.529 0.199 5.592 289 2HH1 ARG 36 2HH1 ARG 36 -12.251 -0.016 5.487 290 1HH2 ARG 36 1HH2 ARG 36 -12.133 -3.444 6.266 291 2HH2 ARG 36 2HH2 ARG 36 -13.166 -2.107 5.852 292 H ASP 37 H ASP 37 -6.225 0.620 8.145 293 HA ASP 37 HA ASP 37 -8.077 2.181 6.763 294 1HB ASP 37 2HB ASP 37 -7.972 2.114 9.200 295 2HB ASP 37 1HB ASP 37 -6.391 2.888 9.175 296 H GLN 38 H GLN 38 -4.628 2.663 7.275 297 HA GLN 38 HA GLN 38 -4.475 5.273 6.262 298 1HB GLN 38 2HB GLN 38 -2.421 3.099 6.573 299 2HB GLN 38 1HB GLN 38 -2.018 4.695 5.952 300 1HG GLN 38 2HG GLN 38 -3.242 4.121 8.640 301 2HG GLN 38 1HG GLN 38 -1.542 4.479 8.338 302 1HE2 GLN 38 1HE2 GLN 38 -3.478 5.896 9.984 303 2HE2 GLN 38 2HE2 GLN 38 -3.536 7.513 9.375 304 H LEU 39 H LEU 39 -3.914 2.115 4.641 305 HA LEU 39 HA LEU 39 -3.193 3.250 2.165 306 1HB LEU 39 2HB LEU 39 -2.774 0.900 2.616 307 2HB LEU 39 1HB LEU 39 -4.496 0.575 2.688 308 HG LEU 39 HG LEU 39 -4.731 1.043 0.314 309 1HD1 LEU 39 1HD1 LEU 39 -1.776 1.600 0.317 310 2HD1 LEU 39 2HD1 LEU 39 -3.057 2.789 0.080 311 3HD1 LEU 39 3HD1 LEU 39 -2.815 1.502 -1.107 312 1HD2 LEU 39 1HD2 LEU 39 -3.321 -0.748 -0.624 313 2HD2 LEU 39 2HD2 LEU 39 -4.159 -1.221 0.856 314 3HD2 LEU 39 3HD2 LEU 39 -2.443 -0.815 0.908 315 H VAL 40 H VAL 40 -6.347 2.554 3.546 316 HA VAL 40 HA VAL 40 -7.960 2.934 1.306 317 HB VAL 40 HB VAL 40 -8.508 3.737 4.173 318 1HG1 VAL 40 1HG1 VAL 40 -10.876 3.735 3.543 319 2HG1 VAL 40 2HG1 VAL 40 -10.428 3.454 1.861 320 3HG1 VAL 40 3HG1 VAL 40 -9.972 4.963 2.656 321 1HG2 VAL 40 1HG2 VAL 40 -8.095 1.358 3.882 322 2HG2 VAL 40 2HG2 VAL 40 -9.293 1.298 2.587 323 3HG2 VAL 40 3HG2 VAL 40 -9.798 1.654 4.240 324 H GLY 41 H GLY 41 -6.763 5.329 3.640 325 1HA GLY 41 2HA GLY 41 -7.848 7.617 2.438 326 2HA GLY 41 1HA GLY 41 -6.397 7.594 3.425 327 H LYS 42 H LYS 42 -4.678 6.105 1.893 328 HA LYS 42 HA LYS 42 -3.650 8.062 0.178 329 1HB LYS 42 2HB LYS 42 -3.045 5.134 0.475 330 2HB LYS 42 1HB LYS 42 -2.157 6.171 -0.630 331 1HG LYS 42 2HG LYS 42 -2.385 6.586 2.337 332 2HG LYS 42 1HG LYS 42 -1.010 5.860 1.508 333 1HD LYS 42 2HD LYS 42 -0.684 7.958 0.263 334 2HD LYS 42 1HD LYS 42 -2.022 8.675 1.156 335 1HE LYS 42 2HE LYS 42 -0.752 8.077 3.262 336 2HE LYS 42 1HE LYS 42 0.623 7.735 2.216 337 1HZ LYS 42 1HZ LYS 42 0.577 10.014 3.186 338 2HZ LYS 42 2HZ LYS 42 -0.787 10.348 2.241 339 3HZ LYS 42 3HZ LYS 42 0.696 9.979 1.501 340 H ILE 43 H ILE 43 -5.315 5.025 -0.617 341 HA ILE 43 HA ILE 43 -5.158 5.221 -3.400 342 HB ILE 43 HB ILE 43 -7.377 3.996 -1.745 343 1HG1 ILE 43 2HG1 ILE 43 -4.993 2.634 -2.996 344 2HG1 ILE 43 1HG1 ILE 43 -4.975 3.235 -1.343 345 1HG2 ILE 43 1HG2 ILE 43 -7.773 2.591 -3.727 346 2HG2 ILE 43 2HG2 ILE 43 -6.562 3.523 -4.609 347 3HG2 ILE 43 3HG2 ILE 43 -8.049 4.301 -4.066 348 1HD1 ILE 43 1HD1 ILE 43 -6.829 1.146 -2.455 349 2HD1 ILE 43 2HD1 ILE 43 -6.855 1.767 -0.803 350 3HD1 ILE 43 3HD1 ILE 43 -5.451 0.870 -1.387 351 H GLN 44 H GLN 44 -7.541 6.542 -1.149 352 HA GLN 44 HA GLN 44 -9.332 7.602 -3.054 353 1HB GLN 44 2HB GLN 44 -8.714 8.588 -0.265 354 2HB GLN 44 1HB GLN 44 -10.104 9.068 -1.223 355 1HG GLN 44 2HG GLN 44 -10.932 6.771 -1.178 356 2HG GLN 44 1HG GLN 44 -9.525 6.285 -0.237 357 1HE2 GLN 44 1HE2 GLN 44 -9.394 6.824 1.907 358 2HE2 GLN 44 2HE2 GLN 44 -10.728 7.469 2.797 359 H GLU 45 H GLU 45 -6.279 8.739 -1.828 360 HA GLU 45 HA GLU 45 -6.776 11.447 -2.786 361 1HB GLU 45 2HB GLU 45 -4.317 10.307 -1.451 362 2HB GLU 45 1HB GLU 45 -4.597 12.004 -1.817 363 1HG GLU 45 2HG GLU 45 -6.631 11.866 -0.340 364 2HG GLU 45 1HG GLU 45 -6.055 10.276 0.157 365 H ARG 46 H ARG 46 -4.572 8.759 -3.489 366 HA ARG 46 HA ARG 46 -3.101 10.258 -5.408 367 1HB ARG 46 2HB ARG 46 -3.022 7.542 -4.317 368 2HB ARG 46 1HB ARG 46 -2.470 7.669 -5.986 369 1HG ARG 46 2HG ARG 46 -0.597 7.934 -4.541 370 2HG ARG 46 1HG ARG 46 -0.954 9.488 -5.294 371 1HD ARG 46 2HD ARG 46 -2.378 9.840 -3.118 372 2HD ARG 46 1HD ARG 46 -1.286 8.617 -2.476 373 HE ARG 46 HE ARG 46 -0.372 11.164 -3.650 374 1HH1 ARG 46 1HH1 ARG 46 -0.054 8.599 -1.279 375 2HH1 ARG 46 2HH1 ARG 46 1.249 9.380 -0.433 376 1HH2 ARG 46 1HH2 ARG 46 1.326 12.182 -2.515 377 2HH2 ARG 46 2HH2 ARG 46 2.025 11.401 -1.130 378 H TYR 47 H TYR 47 -5.555 7.703 -5.750 379 HA TYR 47 HA TYR 47 -5.625 8.200 -8.628 380 1HB TYR 47 2HB TYR 47 -7.107 6.238 -6.880 381 2HB TYR 47 1HB TYR 47 -7.357 6.392 -8.612 382 HD1 TYR 47 1HD TYR 47 -5.154 5.188 -5.993 383 HD2 TYR 47 2HD TYR 47 -5.655 5.677 -10.184 384 HE1 TYR 47 1HE TYR 47 -3.344 3.590 -6.389 385 HE2 TYR 47 2HE TYR 47 -3.842 4.078 -10.596 386 HH TYR 47 HH TYR 47 -2.670 2.012 -8.295 387 H GLY 48 H GLY 48 -7.611 8.457 -5.769 388 1HA GLY 48 2HA GLY 48 -9.300 10.113 -5.457 389 2HA GLY 48 1HA GLY 48 -9.416 10.285 -7.204 390 H TYR 49 H TYR 49 -9.777 7.688 -4.796 391 HA TYR 49 HA TYR 49 -12.177 6.784 -6.243 392 1HB TYR 49 2HB TYR 49 -10.242 5.274 -4.495 393 2HB TYR 49 1HB TYR 49 -11.799 4.620 -4.989 394 HD1 TYR 49 1HD TYR 49 -8.512 4.321 -5.653 395 HD2 TYR 49 2HD TYR 49 -12.128 5.189 -7.719 396 HE1 TYR 49 1HE TYR 49 -7.515 3.495 -7.747 397 HE2 TYR 49 2HE TYR 49 -11.137 4.378 -9.817 398 HH TYR 49 HH TYR 49 -8.751 4.130 -10.752 399 H GLN 50 H GLN 50 -13.949 5.993 -4.999 400 HA GLN 50 HA GLN 50 -14.562 7.540 -2.695 401 1HB GLN 50 2HB GLN 50 -15.919 5.048 -3.744 402 2HB GLN 50 1HB GLN 50 -16.589 6.157 -2.556 403 1HG GLN 50 2HG GLN 50 -15.986 6.765 -5.441 404 2HG GLN 50 1HG GLN 50 -17.578 6.549 -4.719 405 1HE2 GLN 50 1HE2 GLN 50 -14.868 8.670 -5.111 406 2HE2 GLN 50 2HE2 GLN 50 -15.612 10.076 -4.439 407 H LYS 51 H LYS 51 -14.712 6.878 -0.538 408 HA LYS 51 HA LYS 51 -12.665 5.341 0.479 409 1HB LYS 51 2HB LYS 51 -13.921 6.975 1.792 410 2HB LYS 51 1HB LYS 51 -15.344 5.946 1.736 411 1HG LYS 51 2HG LYS 51 -14.262 4.279 3.074 412 2HG LYS 51 1HG LYS 51 -12.737 5.167 3.012 413 1HD LYS 51 2HD LYS 51 -13.682 6.982 4.271 414 2HD LYS 51 1HD LYS 51 -15.283 6.240 4.215 415 1HE LYS 51 2HE LYS 51 -12.886 4.946 5.491 416 2HE LYS 51 1HE LYS 51 -14.038 5.945 6.374 417 1HZ LYS 51 1HZ LYS 51 -15.787 4.404 5.765 418 2HZ LYS 51 2HZ LYS 51 -14.547 3.593 6.581 419 3HZ LYS 51 3HZ LYS 51 -14.692 3.442 4.898 420 H ASP 52 H ASP 52 -15.942 4.407 -0.299 421 HA ASP 52 HA ASP 52 -16.080 1.856 0.769 422 1HB ASP 52 2HB ASP 52 -17.983 3.018 -0.236 423 2HB ASP 52 1HB ASP 52 -17.238 2.914 -1.820 424 H GLN 53 H GLN 53 -15.004 2.826 -2.488 425 HA GLN 53 HA GLN 53 -14.401 0.177 -3.311 426 1HB GLN 53 2HB GLN 53 -14.936 1.925 -4.913 427 2HB GLN 53 1HB GLN 53 -13.521 2.840 -4.415 428 1HG GLN 53 2HG GLN 53 -12.056 1.132 -5.268 429 2HG GLN 53 1HG GLN 53 -13.429 0.092 -5.638 430 1HE2 GLN 53 1HE2 GLN 53 -11.338 1.104 -7.374 431 2HE2 GLN 53 2HE2 GLN 53 -12.156 1.972 -8.636 432 H ALA 54 H ALA 54 -12.492 2.854 -2.034 433 HA ALA 54 HA ALA 54 -9.941 1.809 -2.418 434 1HB ALA 54 1HB ALA 54 -10.388 4.127 -1.755 435 2HB ALA 54 2HB ALA 54 -9.207 3.358 -0.695 436 3HB ALA 54 3HB ALA 54 -10.872 3.570 -0.153 437 H GLU 55 H GLU 55 -12.132 1.444 0.361 438 HA GLU 55 HA GLU 55 -10.425 -0.050 1.992 439 1HB GLU 55 2HB GLU 55 -13.444 -0.102 1.806 440 2HB GLU 55 1HB GLU 55 -12.509 -0.823 3.111 441 1HG GLU 55 2HG GLU 55 -11.614 1.393 3.670 442 2HG GLU 55 1HG GLU 55 -12.600 2.099 2.392 443 H LYS 56 H LYS 56 -12.760 -1.052 -0.465 444 HA LYS 56 HA LYS 56 -12.481 -3.829 -0.126 445 1HB LYS 56 2HB LYS 56 -13.219 -2.212 -2.568 446 2HB LYS 56 1HB LYS 56 -13.353 -3.963 -2.470 447 1HG LYS 56 2HG LYS 56 -14.998 -3.814 -0.749 448 2HG LYS 56 1HG LYS 56 -14.756 -2.072 -0.603 449 1HD LYS 56 2HD LYS 56 -15.605 -1.747 -2.857 450 2HD LYS 56 1HD LYS 56 -15.797 -3.492 -3.051 451 1HE LYS 56 2HE LYS 56 -17.498 -3.575 -1.397 452 2HE LYS 56 1HE LYS 56 -17.163 -1.926 -0.873 453 1HZ LYS 56 1HZ LYS 56 -18.260 -2.691 -3.528 454 2HZ LYS 56 2HZ LYS 56 -17.969 -1.109 -2.983 455 3HZ LYS 56 3HZ LYS 56 -19.156 -2.059 -2.233 456 H GLU 57 H GLU 57 -10.671 -1.528 -2.098 457 HA GLU 57 HA GLU 57 -9.147 -3.526 -3.447 458 1HB GLU 57 2HB GLU 57 -8.706 -0.552 -3.138 459 2HB GLU 57 1HB GLU 57 -7.750 -1.592 -4.190 460 1HG GLU 57 2HG GLU 57 -9.654 -2.116 -5.527 461 2HG GLU 57 1HG GLU 57 -10.728 -1.312 -4.397 462 H VAL 58 H VAL 58 -8.698 -1.667 -0.492 463 HA VAL 58 HA VAL 58 -6.004 -2.423 -0.022 464 HB VAL 58 HB VAL 58 -8.116 -1.844 2.065 465 1HG1 VAL 58 1HG1 VAL 58 -6.179 -1.241 3.473 466 2HG1 VAL 58 2HG1 VAL 58 -5.104 -1.804 2.195 467 3HG1 VAL 58 3HG1 VAL 58 -6.177 -2.943 3.008 468 1HG2 VAL 58 1HG2 VAL 58 -7.247 0.433 2.070 469 2HG2 VAL 58 2HG2 VAL 58 -7.900 0.001 0.487 470 3HG2 VAL 58 3HG2 VAL 58 -6.155 0.020 0.748 471 H VAL 59 H VAL 59 -9.076 -3.790 1.144 472 HA VAL 59 HA VAL 59 -8.027 -6.019 2.463 473 HB VAL 59 HB VAL 59 -10.703 -5.751 1.073 474 1HG1 VAL 59 1HG1 VAL 59 -11.452 -7.555 2.546 475 2HG1 VAL 59 2HG1 VAL 59 -9.816 -7.722 3.182 476 3HG1 VAL 59 3HG1 VAL 59 -10.146 -8.097 1.490 477 1HG2 VAL 59 1HG2 VAL 59 -11.543 -5.229 3.327 478 2HG2 VAL 59 2HG2 VAL 59 -10.364 -4.044 2.766 479 3HG2 VAL 59 3HG2 VAL 59 -9.890 -5.273 3.938 480 H ASP 60 H ASP 60 -8.875 -5.545 -0.936 481 HA ASP 60 HA ASP 60 -8.559 -8.208 -1.794 482 1HB ASP 60 2HB ASP 60 -9.424 -6.030 -3.039 483 2HB ASP 60 1HB ASP 60 -7.750 -5.953 -3.582 484 H TRP 61 H TRP 61 -6.284 -5.493 -1.728 485 HA TRP 61 HA TRP 61 -3.974 -6.848 -2.524 486 1HB TRP 61 2HB TRP 61 -4.033 -4.422 -2.308 487 2HB TRP 61 1HB TRP 61 -4.310 -4.551 -0.576 488 HD1 TRP 61 HD TRP 61 -1.583 -5.034 -3.200 489 HE1 TRP 61 1HE TRP 61 0.716 -4.967 -2.046 490 HE3 TRP 61 3HE TRP 61 -3.140 -4.897 1.658 491 HZ2 TRP 61 2HZ TRP 61 1.731 -4.868 0.590 492 HZ3 TRP 61 3HZ TRP 61 -1.444 -4.822 3.440 493 HH2 TRP 61 HH TRP 61 0.941 -4.808 2.916 494 H GLU 62 H GLU 62 -5.484 -6.463 0.605 495 HA GLU 62 HA GLU 62 -3.421 -7.573 2.156 496 1HB GLU 62 2HB GLU 62 -5.082 -6.071 3.074 497 2HB GLU 62 1HB GLU 62 -6.366 -7.214 2.713 498 1HG GLU 62 2HG GLU 62 -5.756 -8.636 4.408 499 2HG GLU 62 1HG GLU 62 -4.118 -7.992 4.503 500 H THR 63 H THR 63 -6.279 -9.030 0.647 501 HA THR 63 HA THR 63 -5.823 -11.566 1.928 502 HB THR 63 HB THR 63 -8.098 -10.818 1.260 503 HG1 THR 63 1HG THR 63 -7.412 -13.119 1.454 504 1HG2 THR 63 1HG2 THR 63 -7.577 -9.787 -0.888 505 2HG2 THR 63 2HG2 THR 63 -8.798 -11.045 -1.081 506 3HG2 THR 63 3HG2 THR 63 -7.126 -11.360 -1.547 507 H ARG 64 H ARG 64 -4.622 -10.001 -0.886 508 HA ARG 64 HA ARG 64 -3.892 -12.482 -2.198 509 1HB ARG 64 2HB ARG 64 -3.422 -9.592 -2.906 510 2HB ARG 64 1HB ARG 64 -2.785 -10.928 -3.856 511 1HG ARG 64 2HG ARG 64 -5.075 -11.746 -4.194 512 2HG ARG 64 1HG ARG 64 -5.685 -10.353 -3.304 513 1HD ARG 64 2HD ARG 64 -4.725 -8.858 -4.969 514 2HD ARG 64 1HD ARG 64 -4.069 -10.242 -5.846 515 HE ARG 64 HE ARG 64 -6.899 -9.480 -5.640 516 1HH1 ARG 64 1HH1 ARG 64 -4.377 -11.482 -7.053 517 2HH1 ARG 64 2HH1 ARG 64 -5.442 -12.217 -8.224 518 1HH2 ARG 64 1HH2 ARG 64 -8.297 -10.451 -7.181 519 2HH2 ARG 64 2HH2 ARG 64 -7.667 -11.646 -8.281 520 H ASN 65 H ASN 65 -2.240 -9.852 -0.494 521 HA ASN 65 HA ASN 65 0.305 -11.231 -0.870 522 1HB ASN 65 2HB ASN 65 -0.309 -8.553 0.391 523 2HB ASN 65 1HB ASN 65 1.303 -9.222 0.157 524 1HD2 ASN 65 1HD2 ASN 65 -1.527 -7.973 -1.465 525 2HD2 ASN 65 2HD2 ASN 65 -0.754 -7.668 -2.981 526 H GLU 66 H GLU 66 -1.880 -10.251 1.715 527 HA GLU 66 HA GLU 66 -2.537 -11.523 3.497 528 1HB GLU 66 2HB GLU 66 -0.246 -13.321 2.703 529 2HB GLU 66 1HB GLU 66 -1.337 -13.650 4.041 530 1HG GLU 66 2HG GLU 66 -2.431 -13.178 1.307 531 2HG GLU 66 1HG GLU 66 -1.749 -14.747 1.729 532 H TYR 67 H TYR 67 0.908 -10.853 3.179 533 HA TYR 67 HA TYR 67 1.299 -11.096 6.030 534 1HB TYR 67 2HB TYR 67 2.940 -11.905 4.292 535 2HB TYR 67 1HB TYR 67 3.304 -10.219 3.957 536 HD1 TYR 67 1HD TYR 67 4.732 -8.955 5.381 537 HD2 TYR 67 2HD TYR 67 3.502 -12.861 6.538 538 HE1 TYR 67 1HE TYR 67 6.406 -8.941 7.177 539 HE2 TYR 67 2HE TYR 67 5.175 -12.857 8.340 540 HH TYR 67 HH TYR 67 7.333 -11.725 8.838 541 H ARG 68 H ARG 68 -0.078 -9.324 6.686 542 HA ARG 68 HA ARG 68 1.432 -6.793 6.581 543 1HB ARG 68 2HB ARG 68 -1.027 -6.704 5.964 544 2HB ARG 68 1HB ARG 68 -1.386 -7.160 7.627 545 1HG ARG 68 2HG ARG 68 -0.041 -5.142 8.333 546 2HG ARG 68 1HG ARG 68 -0.057 -4.655 6.640 547 1HD ARG 68 2HD ARG 68 -2.496 -5.141 8.341 548 2HD ARG 68 1HD ARG 68 -1.813 -3.559 7.977 549 HE ARG 68 HE ARG 68 -3.460 -5.193 6.269 550 1HH1 ARG 68 1HH1 ARG 68 -0.989 -2.694 6.266 551 2HH1 ARG 68 2HH1 ARG 68 -1.554 -1.962 4.804 552 1HH2 ARG 68 1HH2 ARG 68 -4.209 -4.245 4.379 553 2HH2 ARG 68 2HH2 ARG 68 -3.401 -2.860 3.709 554 H TRP 69 H TRP 69 0.518 -9.477 8.412 555 HA TRP 69 HA TRP 69 2.290 -8.862 10.529 556 1HB TRP 69 2HB TRP 69 0.323 -7.499 11.248 557 2HB TRP 69 1HB TRP 69 -0.655 -8.962 11.243 558 HD1 TRP 69 HD TRP 69 2.356 -7.429 13.118 559 HE1 TRP 69 1HE TRP 69 2.454 -8.467 15.474 560 HE3 TRP 69 3HE TRP 69 -1.407 -10.862 12.655 561 HZ2 TRP 69 2HZ TRP 69 1.118 -10.471 16.935 562 HZ3 TRP 69 3HZ TRP 69 -1.930 -12.303 14.580 563 HH2 TRP 69 HH TRP 69 -0.692 -12.110 16.676 Start of MODEL 20 1 1H MET 1 1HT MET 1 -1.087 -4.271 21.615 2 2H MET 1 2HT MET 1 -0.891 -5.798 20.901 3 3H MET 1 3HT MET 1 -2.258 -5.474 21.850 4 HA MET 1 HA MET 1 -2.738 -5.457 19.462 5 1HB MET 1 2HB MET 1 -4.000 -3.370 19.470 6 2HB MET 1 1HB MET 1 -4.106 -4.146 21.045 7 1HG MET 1 2HG MET 1 -2.440 -2.611 21.930 8 2HG MET 1 1HG MET 1 -2.272 -1.860 20.346 9 1HE MET 1 1HE MET 1 -2.779 -0.171 22.930 10 2HE MET 1 2HE MET 1 -4.047 0.937 22.409 11 3HE MET 1 3HE MET 1 -2.710 0.558 21.324 12 H ASN 2 H ASN 2 0.243 -4.438 20.053 13 HA ASN 2 HA ASN 2 0.366 -2.330 18.058 14 1HB ASN 2 2HB ASN 2 2.515 -1.781 18.887 15 2HB ASN 2 1HB ASN 2 1.548 -2.148 20.310 16 1HD2 ASN 2 1HD2 ASN 2 4.214 -3.118 18.322 17 2HD2 ASN 2 2HD2 ASN 2 4.795 -4.373 19.363 18 H LYS 3 H LYS 3 1.542 -2.435 16.205 19 HA LYS 3 HA LYS 3 2.446 -5.061 15.315 20 1HB LYS 3 2HB LYS 3 2.195 -2.395 13.910 21 2HB LYS 3 1HB LYS 3 2.957 -3.790 13.164 22 1HG LYS 3 2HG LYS 3 0.743 -3.715 12.354 23 2HG LYS 3 1HG LYS 3 0.800 -5.033 13.524 24 1HD LYS 3 2HD LYS 3 -0.189 -3.547 15.217 25 2HD LYS 3 1HD LYS 3 -0.260 -2.250 14.024 26 1HE LYS 3 2HE LYS 3 -1.735 -3.634 12.630 27 2HE LYS 3 1HE LYS 3 -1.686 -4.900 13.855 28 1HZ LYS 3 1HZ LYS 3 -2.733 -2.152 14.285 29 2HZ LYS 3 2HZ LYS 3 -2.742 -3.412 15.416 30 3HZ LYS 3 3HZ LYS 3 -3.685 -3.531 14.013 31 H ASP 4 H ASP 4 4.625 -5.406 14.582 32 HA ASP 4 HA ASP 4 6.550 -4.149 16.282 33 1HB ASP 4 2HB ASP 4 6.495 -6.573 15.113 34 2HB ASP 4 1HB ASP 4 7.505 -5.719 13.948 35 H GLU 5 H GLU 5 8.669 -3.284 15.251 36 HA GLU 5 HA GLU 5 7.824 -0.925 13.865 37 1HB GLU 5 2HB GLU 5 10.147 -0.200 14.054 38 2HB GLU 5 1HB GLU 5 9.546 -0.810 15.589 39 1HG GLU 5 2HG GLU 5 10.690 -2.951 15.144 40 2HG GLU 5 1HG GLU 5 11.355 -2.253 13.666 41 H ALA 6 H ALA 6 8.646 -0.127 11.883 42 HA ALA 6 HA ALA 6 8.789 -2.158 9.851 43 1HB ALA 6 1HB ALA 6 7.453 -0.136 9.504 44 2HB ALA 6 2HB ALA 6 8.703 -0.302 8.272 45 3HB ALA 6 3HB ALA 6 8.916 0.843 9.593 46 H GLY 7 H GLY 7 10.739 -3.177 10.187 47 1HA GLY 7 2HA GLY 7 13.081 -1.627 9.294 48 2HA GLY 7 1HA GLY 7 13.203 -2.741 10.652 49 H GLY 8 H GLY 8 13.678 -2.414 7.395 50 1HA GLY 8 2HA GLY 8 14.425 -3.965 5.846 51 2HA GLY 8 1HA GLY 8 14.170 -5.228 7.039 52 H ASN 9 H ASN 9 11.492 -4.916 7.568 53 HA ASN 9 HA ASN 9 10.332 -6.416 5.487 54 1HB ASN 9 2HB ASN 9 8.262 -6.257 6.785 55 2HB ASN 9 1HB ASN 9 9.628 -6.588 7.843 56 1HD2 ASN 9 1HD2 ASN 9 7.041 -5.430 8.497 57 2HD2 ASN 9 2HD2 ASN 9 7.357 -3.865 9.166 58 H TRP 10 H TRP 10 10.323 -3.008 6.220 59 HA TRP 10 HA TRP 10 8.095 -2.217 4.738 60 1HB TRP 10 2HB TRP 10 9.024 0.034 4.798 61 2HB TRP 10 1HB TRP 10 9.233 -0.745 6.359 62 HD1 TRP 10 HD TRP 10 11.747 -1.358 7.093 63 HE1 TRP 10 1HE TRP 10 14.025 -0.436 6.325 64 HE3 TRP 10 3HE TRP 10 10.262 0.934 2.777 65 HZ2 TRP 10 2HZ TRP 10 15.046 1.075 4.165 66 HZ3 TRP 10 3HZ TRP 10 11.947 2.098 1.419 67 HH2 TRP 10 HH TRP 10 14.291 2.168 2.099 68 H LYS 11 H LYS 11 11.413 -2.811 3.774 69 HA LYS 11 HA LYS 11 11.309 -1.551 1.261 70 1HB LYS 11 2HB LYS 11 13.384 -2.219 2.477 71 2HB LYS 11 1HB LYS 11 13.027 -3.895 2.088 72 1HG LYS 11 2HG LYS 11 13.209 -3.382 -0.292 73 2HG LYS 11 1HG LYS 11 13.570 -1.700 0.102 74 1HD LYS 11 2HD LYS 11 15.550 -2.453 1.367 75 2HD LYS 11 1HD LYS 11 15.208 -4.110 0.867 76 1HE LYS 11 2HE LYS 11 15.470 -3.466 -1.472 77 2HE LYS 11 1HE LYS 11 15.778 -1.799 -0.986 78 1HZ LYS 11 1HZ LYS 11 17.856 -2.836 -1.397 79 2HZ LYS 11 2HZ LYS 11 17.467 -4.170 -0.426 80 3HZ LYS 11 3HZ LYS 11 17.719 -2.652 0.283 81 H GLN 12 H GLN 12 10.224 -4.641 2.381 82 HA GLN 12 HA GLN 12 10.071 -5.826 -0.235 83 1HB GLN 12 2HB GLN 12 10.480 -7.142 1.836 84 2HB GLN 12 1HB GLN 12 8.845 -6.763 2.363 85 1HG GLN 12 2HG GLN 12 9.059 -9.005 1.371 86 2HG GLN 12 1HG GLN 12 7.907 -7.975 0.522 87 1HE2 GLN 12 1HE2 GLN 12 11.062 -9.451 0.397 88 2HE2 GLN 12 2HE2 GLN 12 11.294 -9.273 -1.307 89 H PHE 13 H PHE 13 7.679 -4.608 2.141 90 HA PHE 13 HA PHE 13 5.549 -5.109 0.257 91 1HB PHE 13 2HB PHE 13 5.604 -4.065 3.059 92 2HB PHE 13 1HB PHE 13 4.134 -3.960 2.077 93 HD1 PHE 13 1HD PHE 13 6.664 -6.248 3.403 94 HD2 PHE 13 2HD PHE 13 2.822 -5.852 1.633 95 HE1 PHE 13 1HE PHE 13 6.285 -8.629 3.724 96 HE2 PHE 13 2HE PHE 13 2.425 -8.241 1.955 97 HZ PHE 13 HZ PHE 13 4.151 -9.657 3.014 98 H LYS 14 H LYS 14 7.633 -2.578 0.932 99 HA LYS 14 HA LYS 14 6.173 -0.421 -0.134 100 1HB LYS 14 2HB LYS 14 8.939 -0.991 0.407 101 2HB LYS 14 1HB LYS 14 8.809 -0.279 -1.194 102 1HG LYS 14 2HG LYS 14 9.165 1.524 0.247 103 2HG LYS 14 1HG LYS 14 7.438 1.560 -0.097 104 1HD LYS 14 2HD LYS 14 8.625 0.277 2.363 105 2HD LYS 14 1HD LYS 14 8.073 1.949 2.310 106 1HE LYS 14 2HE LYS 14 5.820 1.191 1.751 107 2HE LYS 14 1HE LYS 14 6.371 -0.482 1.771 108 1HZ LYS 14 1HZ LYS 14 6.806 -0.335 4.104 109 2HZ LYS 14 2HZ LYS 14 5.241 0.236 3.832 110 3HZ LYS 14 3HZ LYS 14 6.494 1.328 4.120 111 H GLY 15 H GLY 15 8.121 -2.935 -1.681 112 1HA GLY 15 2HA GLY 15 7.535 -2.172 -4.350 113 2HA GLY 15 1HA GLY 15 8.174 -3.726 -3.832 114 H LYS 16 H LYS 16 6.104 -4.594 -2.162 115 HA LYS 16 HA LYS 16 4.406 -5.779 -4.043 116 1HB LYS 16 2HB LYS 16 4.616 -5.772 -1.112 117 2HB LYS 16 1HB LYS 16 3.006 -6.106 -1.733 118 1HG LYS 16 2HG LYS 16 4.161 -8.172 -1.408 119 2HG LYS 16 1HG LYS 16 3.960 -7.899 -3.138 120 1HD LYS 16 2HD LYS 16 6.304 -6.953 -3.129 121 2HD LYS 16 1HD LYS 16 6.452 -7.574 -1.485 122 1HE LYS 16 2HE LYS 16 7.378 -9.216 -2.928 123 2HE LYS 16 1HE LYS 16 5.819 -9.828 -2.380 124 1HZ LYS 16 1HZ LYS 16 5.734 -10.250 -4.620 125 2HZ LYS 16 2HZ LYS 16 6.607 -8.858 -5.040 126 3HZ LYS 16 3HZ LYS 16 4.986 -8.726 -4.571 127 H VAL 17 H VAL 17 3.626 -3.196 -1.681 128 HA VAL 17 HA VAL 17 0.973 -2.885 -2.568 129 HB VAL 17 HB VAL 17 2.696 -0.692 -1.402 130 1HG1 VAL 17 1HG1 VAL 17 0.606 0.079 -2.444 131 2HG1 VAL 17 2HG1 VAL 17 0.582 0.287 -0.694 132 3HG1 VAL 17 3HG1 VAL 17 -0.306 -1.045 -1.434 133 1HG2 VAL 17 1HG2 VAL 17 0.961 -2.730 -0.010 134 2HG2 VAL 17 2HG2 VAL 17 1.733 -1.346 0.764 135 3HG2 VAL 17 3HG2 VAL 17 2.719 -2.629 0.062 136 H LYS 18 H LYS 18 4.001 -1.495 -3.776 137 HA LYS 18 HA LYS 18 2.745 0.337 -5.549 138 1HB LYS 18 2HB LYS 18 5.522 -0.835 -5.527 139 2HB LYS 18 1HB LYS 18 4.995 0.361 -6.705 140 1HG LYS 18 2HG LYS 18 4.537 1.947 -4.928 141 2HG LYS 18 1HG LYS 18 4.987 0.746 -3.719 142 1HD LYS 18 2HD LYS 18 6.900 2.044 -3.899 143 2HD LYS 18 1HD LYS 18 7.251 0.679 -4.958 144 1HE LYS 18 2HE LYS 18 6.062 3.240 -5.990 145 2HE LYS 18 1HE LYS 18 7.800 3.024 -5.815 146 1HZ LYS 18 1HZ LYS 18 5.995 1.367 -7.505 147 2HZ LYS 18 2HZ LYS 18 7.660 1.112 -7.311 148 3HZ LYS 18 3HZ LYS 18 7.099 2.530 -8.052 149 H GLU 19 H GLU 19 3.391 -3.073 -5.772 150 HA GLU 19 HA GLU 19 3.023 -3.305 -8.592 151 1HB GLU 19 2HB GLU 19 2.433 -5.370 -6.453 152 2HB GLU 19 1HB GLU 19 2.643 -5.683 -8.171 153 1HG GLU 19 2HG GLU 19 4.968 -4.897 -7.996 154 2HG GLU 19 1HG GLU 19 4.743 -4.691 -6.260 155 H GLN 20 H GLN 20 0.934 -3.486 -5.788 156 HA GLN 20 HA GLN 20 -1.512 -3.954 -7.130 157 1HB GLN 20 2HB GLN 20 -1.511 -4.465 -4.859 158 2HB GLN 20 1HB GLN 20 -0.670 -2.990 -4.418 159 1HG GLN 20 2HG GLN 20 -2.913 -2.909 -3.595 160 2HG GLN 20 1HG GLN 20 -2.725 -1.719 -4.874 161 1HE2 GLN 20 1HE2 GLN 20 -4.899 -1.616 -5.273 162 2HE2 GLN 20 2HE2 GLN 20 -5.777 -2.891 -6.031 163 H TRP 21 H TRP 21 -0.048 -0.996 -5.844 164 HA TRP 21 HA TRP 21 -1.597 0.628 -7.710 165 1HB TRP 21 2HB TRP 21 -1.670 0.710 -4.741 166 2HB TRP 21 1HB TRP 21 -1.651 2.246 -5.581 167 HD1 TRP 21 HD TRP 21 -4.087 1.336 -3.844 168 HE1 TRP 21 1HE TRP 21 -6.422 1.086 -4.905 169 HE3 TRP 21 3HE TRP 21 -2.708 0.833 -8.742 170 HZ2 TRP 21 2HZ TRP 21 -7.528 0.745 -7.478 171 HZ3 TRP 21 3HZ TRP 21 -4.465 0.563 -10.440 172 HH2 TRP 21 HH TRP 21 -6.826 0.520 -9.820 173 H GLY 22 H GLY 22 -0.031 1.554 -8.870 174 1HA GLY 22 2HA GLY 22 2.542 2.143 -7.624 175 2HA GLY 22 1HA GLY 22 2.221 2.084 -9.346 176 H LYS 23 H LYS 23 0.431 3.978 -6.922 177 HA LYS 23 HA LYS 23 1.629 6.409 -8.095 178 1HB LYS 23 2HB LYS 23 -1.147 5.774 -7.350 179 2HB LYS 23 1HB LYS 23 -0.593 7.351 -6.818 180 1HG LYS 23 2HG LYS 23 0.248 7.203 -9.450 181 2HG LYS 23 1HG LYS 23 -1.343 6.433 -9.452 182 1HD LYS 23 2HD LYS 23 -2.316 8.373 -8.368 183 2HD LYS 23 1HD LYS 23 -0.730 9.134 -8.255 184 1HE LYS 23 2HE LYS 23 -1.877 10.108 -10.104 185 2HE LYS 23 1HE LYS 23 -0.597 9.074 -10.737 186 1HZ LYS 23 1HZ LYS 23 -2.498 8.658 -12.028 187 2HZ LYS 23 2HZ LYS 23 -3.508 8.534 -10.672 188 3HZ LYS 23 3HZ LYS 23 -2.368 7.320 -10.990 189 H LEU 24 H LEU 24 0.810 4.673 -5.201 190 HA LEU 24 HA LEU 24 1.340 6.688 -3.314 191 1HB LEU 24 2HB LEU 24 1.575 3.697 -3.107 192 2HB LEU 24 1HB LEU 24 1.671 4.781 -1.738 193 HG LEU 24 HG LEU 24 -0.716 4.351 -3.532 194 1HD1 LEU 24 1HD1 LEU 24 -1.763 3.515 -1.488 195 2HD1 LEU 24 2HD1 LEU 24 -0.231 3.708 -0.634 196 3HD1 LEU 24 3HD1 LEU 24 -0.365 2.549 -1.958 197 1HD2 LEU 24 1HD2 LEU 24 -0.415 6.180 -1.158 198 2HD2 LEU 24 2HD2 LEU 24 -1.898 5.878 -2.067 199 3HD2 LEU 24 3HD2 LEU 24 -0.537 6.691 -2.842 200 H THR 25 H THR 25 3.140 7.572 -2.611 201 HA THR 25 HA THR 25 5.663 6.582 -3.743 202 HB THR 25 HB THR 25 6.478 8.896 -3.492 203 HG1 THR 25 1HG THR 25 3.906 9.233 -2.354 204 1HG2 THR 25 1HG2 THR 25 5.105 9.892 -5.265 205 2HG2 THR 25 2HG2 THR 25 3.881 8.646 -5.002 206 3HG2 THR 25 3HG2 THR 25 5.482 8.201 -5.598 207 H ASP 26 H ASP 26 7.436 8.077 -2.220 208 HA ASP 26 HA ASP 26 8.050 6.298 -0.196 209 1HB ASP 26 2HB ASP 26 9.577 7.994 -1.266 210 2HB ASP 26 1HB ASP 26 8.861 9.206 -0.210 211 H ASP 27 H ASP 27 6.429 9.448 0.128 212 HA ASP 27 HA ASP 27 6.107 9.462 2.909 213 1HB ASP 27 2HB ASP 27 5.613 11.454 1.631 214 2HB ASP 27 1HB ASP 27 4.358 10.615 0.731 215 H ASP 28 H ASP 28 3.887 8.387 0.392 216 HA ASP 28 HA ASP 28 1.762 7.631 2.034 217 1HB ASP 28 2HB ASP 28 2.520 6.352 -0.590 218 2HB ASP 28 1HB ASP 28 0.928 6.437 0.114 219 H MET 29 H MET 29 4.358 5.761 0.612 220 HA MET 29 HA MET 29 3.476 3.238 1.399 221 1HB MET 29 2HB MET 29 6.256 4.239 0.807 222 2HB MET 29 1HB MET 29 5.811 2.557 0.969 223 1HG MET 29 2HG MET 29 4.338 4.188 -1.006 224 2HG MET 29 1HG MET 29 5.996 3.716 -1.375 225 1HE MET 29 1HE MET 29 3.159 1.669 0.596 226 2HE MET 29 2HE MET 29 2.455 0.828 -0.782 227 3HE MET 29 3HE MET 29 2.377 2.591 -0.688 228 H THR 30 H THR 30 5.519 5.580 3.053 229 HA THR 30 HA THR 30 6.363 3.721 5.065 230 HB THR 30 HB THR 30 6.576 6.735 5.104 231 HG1 THR 30 1HG THR 30 7.729 6.216 3.340 232 1HG2 THR 30 1HG2 THR 30 8.498 6.316 6.582 233 2HG2 THR 30 2HG2 THR 30 8.158 4.587 6.525 234 3HG2 THR 30 3HG2 THR 30 7.002 5.689 7.273 235 H ILE 31 H ILE 31 3.810 6.144 4.788 236 HA ILE 31 HA ILE 31 3.158 6.206 7.556 237 HB ILE 31 HB ILE 31 1.193 6.747 5.329 238 1HG1 ILE 31 2HG1 ILE 31 3.320 8.605 6.435 239 2HG1 ILE 31 1HG1 ILE 31 3.170 8.032 4.784 240 1HG2 ILE 31 1HG2 ILE 31 1.454 7.845 8.127 241 2HG2 ILE 31 2HG2 ILE 31 0.271 6.659 7.576 242 3HG2 ILE 31 3HG2 ILE 31 0.222 8.308 6.951 243 1HD1 ILE 31 1HD1 ILE 31 1.107 9.270 4.512 244 2HD1 ILE 31 2HD1 ILE 31 2.420 10.335 5.021 245 3HD1 ILE 31 3HD1 ILE 31 1.201 9.817 6.185 246 H ILE 32 H ILE 32 2.260 4.133 4.896 247 HA ILE 32 HA ILE 32 0.021 2.943 6.304 248 HB ILE 32 HB ILE 32 1.267 2.057 3.695 249 1HG1 ILE 32 2HG1 ILE 32 -1.073 3.917 4.156 250 2HG1 ILE 32 1HG1 ILE 32 0.511 4.390 3.553 251 1HG2 ILE 32 1HG2 ILE 32 -1.429 1.499 4.926 252 2HG2 ILE 32 2HG2 ILE 32 -0.108 0.348 4.716 253 3HG2 ILE 32 3HG2 ILE 32 -0.931 1.015 3.305 254 1HD1 ILE 32 1HD1 ILE 32 -1.123 4.211 1.768 255 2HD1 ILE 32 2HD1 ILE 32 -1.408 2.523 2.190 256 3HD1 ILE 32 3HD1 ILE 32 0.167 3.025 1.574 257 H GLU 33 H GLU 33 2.814 1.529 4.675 258 HA GLU 33 HA GLU 33 4.242 -0.155 5.151 259 1HB GLU 33 2HB GLU 33 4.319 1.149 7.385 260 2HB GLU 33 1HB GLU 33 3.313 -0.152 8.011 261 1HG GLU 33 2HG GLU 33 5.735 -0.433 8.432 262 2HG GLU 33 1HG GLU 33 4.995 -1.769 7.546 263 H GLY 34 H GLY 34 1.394 -0.725 7.209 264 1HA GLY 34 2HA GLY 34 0.602 -2.998 5.608 265 2HA GLY 34 1HA GLY 34 1.202 -3.422 7.208 266 H LYS 35 H LYS 35 -0.110 -0.420 7.414 267 HA LYS 35 HA LYS 35 -2.345 -1.299 8.927 268 1HB LYS 35 2HB LYS 35 -1.728 1.478 7.919 269 2HB LYS 35 1HB LYS 35 -2.843 1.061 9.213 270 1HG LYS 35 2HG LYS 35 -1.086 0.400 10.642 271 2HG LYS 35 1HG LYS 35 0.089 0.433 9.323 272 1HD LYS 35 2HD LYS 35 -0.429 2.886 9.096 273 2HD LYS 35 1HD LYS 35 -1.302 2.761 10.622 274 1HE LYS 35 2HE LYS 35 0.704 2.042 11.758 275 2HE LYS 35 1HE LYS 35 1.594 2.016 10.235 276 1HZ LYS 35 1HZ LYS 35 2.050 4.016 11.531 277 2HZ LYS 35 2HZ LYS 35 0.408 4.437 11.489 278 3HZ LYS 35 3HZ LYS 35 1.312 4.398 10.051 279 H ARG 36 H ARG 36 -4.243 -1.822 8.228 280 HA ARG 36 HA ARG 36 -4.891 -1.817 5.464 281 1HB ARG 36 2HB ARG 36 -5.581 -3.484 7.244 282 2HB ARG 36 1HB ARG 36 -6.747 -2.295 7.795 283 1HG ARG 36 2HG ARG 36 -6.775 -3.170 4.949 284 2HG ARG 36 1HG ARG 36 -7.460 -4.210 6.200 285 1HD ARG 36 2HD ARG 36 -8.735 -2.088 6.935 286 2HD ARG 36 1HD ARG 36 -8.313 -1.471 5.336 287 HE ARG 36 HE ARG 36 -9.449 -4.067 5.134 288 1HH1 ARG 36 1HH1 ARG 36 -10.267 -0.706 5.674 289 2HH1 ARG 36 2HH1 ARG 36 -11.917 -0.873 5.152 290 1HH2 ARG 36 1HH2 ARG 36 -11.630 -4.303 4.465 291 2HH2 ARG 36 2HH2 ARG 36 -12.686 -2.928 4.472 292 H ASP 37 H ASP 37 -5.841 0.140 8.213 293 HA ASP 37 HA ASP 37 -7.876 1.644 6.987 294 1HB ASP 37 2HB ASP 37 -7.718 1.690 9.361 295 2HB ASP 37 1HB ASP 37 -6.036 2.207 9.314 296 H GLN 38 H GLN 38 -4.394 2.079 7.158 297 HA GLN 38 HA GLN 38 -4.404 4.725 6.143 298 1HB GLN 38 2HB GLN 38 -2.300 2.697 6.718 299 2HB GLN 38 1HB GLN 38 -1.887 4.089 5.725 300 1HG GLN 38 2HG GLN 38 -3.111 4.241 8.464 301 2HG GLN 38 1HG GLN 38 -1.392 4.419 8.108 302 1HE2 GLN 38 1HE2 GLN 38 -3.440 6.268 9.222 303 2HE2 GLN 38 2HE2 GLN 38 -3.339 7.687 8.238 304 H LEU 39 H LEU 39 -4.020 1.551 4.617 305 HA LEU 39 HA LEU 39 -3.309 2.591 2.082 306 1HB LEU 39 2HB LEU 39 -3.589 0.045 3.129 307 2HB LEU 39 1HB LEU 39 -4.890 0.141 1.955 308 HG LEU 39 HG LEU 39 -1.937 0.491 1.439 309 1HD1 LEU 39 1HD1 LEU 39 -2.693 -1.814 1.608 310 2HD1 LEU 39 2HD1 LEU 39 -2.231 -1.408 -0.047 311 3HD1 LEU 39 3HD1 LEU 39 -3.935 -1.502 0.397 312 1HD2 LEU 39 1HD2 LEU 39 -3.178 2.128 0.121 313 2HD2 LEU 39 2HD2 LEU 39 -4.214 0.843 -0.503 314 3HD2 LEU 39 3HD2 LEU 39 -2.497 0.860 -0.899 315 H VAL 40 H VAL 40 -6.433 1.798 3.574 316 HA VAL 40 HA VAL 40 -8.107 2.381 1.426 317 HB VAL 40 HB VAL 40 -8.583 2.937 4.365 318 1HG1 VAL 40 1HG1 VAL 40 -10.073 4.295 2.989 319 2HG1 VAL 40 2HG1 VAL 40 -10.965 3.007 3.800 320 3HG1 VAL 40 3HG1 VAL 40 -10.562 2.858 2.089 321 1HG2 VAL 40 1HG2 VAL 40 -8.198 0.583 3.849 322 2HG2 VAL 40 2HG2 VAL 40 -9.452 0.650 2.608 323 3HG2 VAL 40 3HG2 VAL 40 -9.878 0.868 4.306 324 H GLY 41 H GLY 41 -6.861 4.560 3.939 325 1HA GLY 41 2HA GLY 41 -7.957 6.936 2.950 326 2HA GLY 41 1HA GLY 41 -6.508 6.827 3.938 327 H LYS 42 H LYS 42 -4.723 5.563 2.379 328 HA LYS 42 HA LYS 42 -3.804 7.659 0.781 329 1HB LYS 42 2HB LYS 42 -2.943 4.862 1.265 330 2HB LYS 42 1HB LYS 42 -2.257 5.689 -0.120 331 1HG LYS 42 2HG LYS 42 -2.032 6.416 2.786 332 2HG LYS 42 1HG LYS 42 -0.738 6.025 1.640 333 1HD LYS 42 2HD LYS 42 -1.277 8.091 0.393 334 2HD LYS 42 1HD LYS 42 -2.475 8.495 1.626 335 1HE LYS 42 2HE LYS 42 -0.822 8.751 3.290 336 2HE LYS 42 1HE LYS 42 0.411 7.987 2.286 337 1HZ LYS 42 1HZ LYS 42 0.262 9.869 0.762 338 2HZ LYS 42 2HZ LYS 42 0.714 10.369 2.322 339 3HZ LYS 42 3HZ LYS 42 -0.874 10.616 1.778 340 H ILE 43 H ILE 43 -5.478 4.664 -0.177 341 HA ILE 43 HA ILE 43 -5.184 5.055 -2.958 342 HB ILE 43 HB ILE 43 -7.489 3.701 -1.540 343 1HG1 ILE 43 2HG1 ILE 43 -4.940 2.567 -2.714 344 2HG1 ILE 43 1HG1 ILE 43 -5.311 2.698 -0.998 345 1HG2 ILE 43 1HG2 ILE 43 -6.553 3.451 -4.400 346 2HG2 ILE 43 2HG2 ILE 43 -7.990 4.328 -3.871 347 3HG2 ILE 43 3HG2 ILE 43 -7.898 2.580 -3.658 348 1HD1 ILE 43 1HD1 ILE 43 -6.806 1.025 -2.998 349 2HD1 ILE 43 2HD1 ILE 43 -7.167 1.150 -1.277 350 3HD1 ILE 43 3HD1 ILE 43 -5.645 0.435 -1.808 351 H GLN 44 H GLN 44 -7.719 6.112 -0.714 352 HA GLN 44 HA GLN 44 -9.383 7.357 -2.612 353 1HB GLN 44 2HB GLN 44 -8.971 8.103 0.288 354 2HB GLN 44 1HB GLN 44 -10.330 8.585 -0.712 355 1HG GLN 44 2HG GLN 44 -11.069 6.282 -0.864 356 2HG GLN 44 1HG GLN 44 -9.658 5.756 0.052 357 1HE2 GLN 44 1HE2 GLN 44 -9.562 6.129 2.237 358 2HE2 GLN 44 2HE2 GLN 44 -10.935 6.621 3.168 359 H GLU 45 H GLU 45 -6.625 8.503 -0.770 360 HA GLU 45 HA GLU 45 -7.041 11.262 -1.473 361 1HB GLU 45 2HB GLU 45 -4.663 9.938 -0.158 362 2HB GLU 45 1HB GLU 45 -4.944 11.670 -0.265 363 1HG GLU 45 2HG GLU 45 -6.626 9.678 1.237 364 2HG GLU 45 1HG GLU 45 -5.493 10.834 1.935 365 H ARG 46 H ARG 46 -4.534 8.844 -2.238 366 HA ARG 46 HA ARG 46 -3.005 10.642 -3.828 367 1HB ARG 46 2HB ARG 46 -2.260 8.432 -2.654 368 2HB ARG 46 1HB ARG 46 -2.861 7.646 -4.109 369 1HG ARG 46 2HG ARG 46 -0.585 7.943 -4.493 370 2HG ARG 46 1HG ARG 46 -1.350 9.263 -5.387 371 1HD ARG 46 2HD ARG 46 -0.998 10.367 -2.921 372 2HD ARG 46 1HD ARG 46 0.411 9.325 -3.055 373 HE ARG 46 HE ARG 46 -0.146 11.118 -5.291 374 1HH1 ARG 46 1HH1 ARG 46 1.770 10.375 -2.447 375 2HH1 ARG 46 2HH1 ARG 46 3.000 11.552 -2.809 376 1HH2 ARG 46 1HH2 ARG 46 1.476 12.660 -5.790 377 2HH2 ARG 46 2HH2 ARG 46 2.829 12.864 -4.707 378 H TYR 47 H TYR 47 -5.349 8.138 -4.555 379 HA TYR 47 HA TYR 47 -4.881 8.456 -7.417 380 1HB TYR 47 2HB TYR 47 -6.557 6.447 -5.912 381 2HB TYR 47 1HB TYR 47 -6.208 6.399 -7.635 382 HD1 TYR 47 1HD TYR 47 -4.316 5.225 -8.386 383 HD2 TYR 47 2HD TYR 47 -4.570 6.394 -4.307 384 HE1 TYR 47 1HE TYR 47 -2.231 4.009 -7.906 385 HE2 TYR 47 2HE TYR 47 -2.500 5.186 -3.814 386 HH TYR 47 HH TYR 47 -1.152 3.348 -4.762 387 H GLY 48 H GLY 48 -7.290 9.077 -4.979 388 1HA GLY 48 2HA GLY 48 -9.075 10.573 -5.162 389 2HA GLY 48 1HA GLY 48 -8.821 10.625 -6.902 390 H TYR 49 H TYR 49 -9.571 8.080 -4.540 391 HA TYR 49 HA TYR 49 -11.818 7.269 -6.266 392 1HB TYR 49 2HB TYR 49 -10.059 5.580 -4.482 393 2HB TYR 49 1HB TYR 49 -11.535 4.998 -5.240 394 HD1 TYR 49 1HD TYR 49 -8.198 4.703 -5.463 395 HD2 TYR 49 2HD TYR 49 -11.468 5.823 -7.944 396 HE1 TYR 49 1HE TYR 49 -6.917 4.025 -7.456 397 HE2 TYR 49 2HE TYR 49 -10.195 5.156 -9.937 398 HH TYR 49 HH TYR 49 -7.380 3.302 -9.783 399 H GLN 50 H GLN 50 -13.635 6.293 -5.143 400 HA GLN 50 HA GLN 50 -14.306 7.691 -2.732 401 1HB GLN 50 2HB GLN 50 -15.762 5.668 -4.418 402 2HB GLN 50 1HB GLN 50 -16.424 6.277 -2.907 403 1HG GLN 50 2HG GLN 50 -15.716 7.920 -5.326 404 2HG GLN 50 1HG GLN 50 -17.340 7.463 -4.816 405 1HE2 GLN 50 1HE2 GLN 50 -18.206 8.394 -2.941 406 2HE2 GLN 50 2HE2 GLN 50 -17.582 9.880 -2.298 407 H LYS 51 H LYS 51 -14.962 6.691 -0.770 408 HA LYS 51 HA LYS 51 -13.233 4.891 0.391 409 1HB LYS 51 2HB LYS 51 -14.804 6.354 1.610 410 2HB LYS 51 1HB LYS 51 -16.146 5.353 1.071 411 1HG LYS 51 2HG LYS 51 -14.945 3.433 2.260 412 2HG LYS 51 1HG LYS 51 -13.985 4.697 3.036 413 1HD LYS 51 2HD LYS 51 -16.057 5.751 3.839 414 2HD LYS 51 1HD LYS 51 -16.993 4.450 3.100 415 1HE LYS 51 2HE LYS 51 -16.795 3.894 5.382 416 2HE LYS 51 1HE LYS 51 -15.652 2.857 4.532 417 1HZ LYS 51 1HZ LYS 51 -14.615 3.744 6.481 418 2HZ LYS 51 2HZ LYS 51 -15.024 5.329 6.047 419 3HZ LYS 51 3HZ LYS 51 -13.890 4.466 5.129 420 H ASP 52 H ASP 52 -16.284 4.285 -1.243 421 HA ASP 52 HA ASP 52 -16.649 1.580 -0.718 422 1HB ASP 52 2HB ASP 52 -18.327 2.940 -1.829 423 2HB ASP 52 1HB ASP 52 -17.273 3.172 -3.210 424 H GLN 53 H GLN 53 -15.172 2.994 -3.620 425 HA GLN 53 HA GLN 53 -14.328 0.514 -4.675 426 1HB GLN 53 2HB GLN 53 -14.720 2.591 -6.001 427 2HB GLN 53 1HB GLN 53 -13.262 3.266 -5.298 428 1HG GLN 53 2HG GLN 53 -11.957 1.424 -6.279 429 2HG GLN 53 1HG GLN 53 -13.424 0.800 -7.024 430 1HE2 GLN 53 1HE2 GLN 53 -10.992 1.631 -8.288 431 2HE2 GLN 53 2HE2 GLN 53 -11.397 2.927 -9.358 432 H ALA 54 H ALA 54 -12.782 2.917 -2.623 433 HA ALA 54 HA ALA 54 -10.130 2.006 -2.908 434 1HB ALA 54 1HB ALA 54 -11.371 3.412 -0.546 435 2HB ALA 54 2HB ALA 54 -10.704 4.196 -1.977 436 3HB ALA 54 3HB ALA 54 -9.648 3.283 -0.899 437 H GLU 55 H GLU 55 -12.630 1.219 -0.481 438 HA GLU 55 HA GLU 55 -10.921 -0.490 0.996 439 1HB GLU 55 2HB GLU 55 -13.931 -0.297 0.930 440 2HB GLU 55 1HB GLU 55 -13.047 -1.356 2.023 441 1HG GLU 55 2HG GLU 55 -11.815 0.761 2.764 442 2HG GLU 55 1HG GLU 55 -13.114 1.635 1.952 443 H LYS 56 H LYS 56 -12.968 -0.998 -1.800 444 HA LYS 56 HA LYS 56 -13.059 -3.802 -1.794 445 1HB LYS 56 2HB LYS 56 -12.875 -1.888 -4.131 446 2HB LYS 56 1HB LYS 56 -13.225 -3.602 -4.284 447 1HG LYS 56 2HG LYS 56 -15.279 -3.359 -3.095 448 2HG LYS 56 1HG LYS 56 -14.904 -1.680 -2.701 449 1HD LYS 56 2HD LYS 56 -14.962 -1.112 -5.081 450 2HD LYS 56 1HD LYS 56 -15.345 -2.791 -5.473 451 1HE LYS 56 2HE LYS 56 -17.418 -2.634 -4.244 452 2HE LYS 56 1HE LYS 56 -17.018 -0.999 -3.726 453 1HZ LYS 56 1HZ LYS 56 -18.548 -0.883 -5.520 454 2HZ LYS 56 2HZ LYS 56 -17.602 -1.894 -6.492 455 3HZ LYS 56 3HZ LYS 56 -17.050 -0.345 -6.093 456 H GLU 57 H GLU 57 -10.700 -1.621 -3.293 457 HA GLU 57 HA GLU 57 -8.973 -3.645 -4.230 458 1HB GLU 57 2HB GLU 57 -8.266 -0.785 -3.550 459 2HB GLU 57 1HB GLU 57 -7.388 -1.855 -4.636 460 1HG GLU 57 2HG GLU 57 -10.156 -0.747 -5.059 461 2HG GLU 57 1HG GLU 57 -8.686 -0.262 -5.902 462 H VAL 58 H VAL 58 -9.123 -1.820 -1.211 463 HA VAL 58 HA VAL 58 -6.639 -2.665 -0.178 464 HB VAL 58 HB VAL 58 -9.119 -1.747 1.290 465 1HG1 VAL 58 1HG1 VAL 58 -7.634 -1.400 3.219 466 2HG1 VAL 58 2HG1 VAL 58 -6.310 -2.151 2.328 467 3HG1 VAL 58 3HG1 VAL 58 -7.727 -3.103 2.766 468 1HG2 VAL 58 1HG2 VAL 58 -6.561 -0.333 0.532 469 2HG2 VAL 58 2HG2 VAL 58 -7.849 0.351 1.524 470 3HG2 VAL 58 3HG2 VAL 58 -8.157 -0.057 -0.163 471 H VAL 59 H VAL 59 -9.936 -3.958 0.335 472 HA VAL 59 HA VAL 59 -9.268 -5.987 2.120 473 HB VAL 59 HB VAL 59 -11.475 -5.938 0.053 474 1HG1 VAL 59 1HG1 VAL 59 -12.544 -7.713 1.350 475 2HG1 VAL 59 2HG1 VAL 59 -11.137 -7.792 2.410 476 3HG1 VAL 59 3HG1 VAL 59 -10.986 -8.241 0.713 477 1HG2 VAL 59 1HG2 VAL 59 -11.479 -5.340 3.007 478 2HG2 VAL 59 2HG2 VAL 59 -12.898 -5.354 1.958 479 3HG2 VAL 59 3HG2 VAL 59 -11.623 -4.162 1.703 480 H ASP 60 H ASP 60 -9.173 -5.960 -1.405 481 HA ASP 60 HA ASP 60 -8.668 -8.722 -1.735 482 1HB ASP 60 2HB ASP 60 -9.436 -7.259 -3.576 483 2HB ASP 60 1HB ASP 60 -7.872 -6.445 -3.561 484 H TRP 61 H TRP 61 -6.440 -5.933 -1.813 485 HA TRP 61 HA TRP 61 -4.042 -7.377 -1.924 486 1HB TRP 61 2HB TRP 61 -4.304 -4.887 -2.242 487 2HB TRP 61 1HB TRP 61 -4.489 -4.735 -0.498 488 HD1 TRP 61 HD TRP 61 -1.888 -5.104 -3.200 489 HE1 TRP 61 1HE TRP 61 0.462 -4.994 -2.157 490 HE3 TRP 61 3HE TRP 61 -3.174 -5.349 1.751 491 HZ2 TRP 61 2HZ TRP 61 1.616 -5.007 0.423 492 HZ3 TRP 61 3HZ TRP 61 -1.385 -5.291 3.437 493 HH2 TRP 61 HH TRP 61 0.960 -5.125 2.786 494 H GLU 62 H GLU 62 -5.995 -6.299 0.760 495 HA GLU 62 HA GLU 62 -4.457 -6.850 2.959 496 1HB GLU 62 2HB GLU 62 -6.511 -5.715 3.230 497 2HB GLU 62 1HB GLU 62 -7.417 -7.001 2.450 498 1HG GLU 62 2HG GLU 62 -6.889 -8.460 4.372 499 2HG GLU 62 1HG GLU 62 -6.147 -7.082 5.163 500 H THR 63 H THR 63 -6.949 -9.030 1.664 501 HA THR 63 HA THR 63 -6.225 -11.127 3.420 502 HB THR 63 HB THR 63 -7.921 -11.204 0.931 503 HG1 THR 63 1HG THR 63 -8.462 -10.566 3.644 504 1HG2 THR 63 1HG2 THR 63 -8.999 -13.152 1.989 505 2HG2 THR 63 2HG2 THR 63 -7.824 -13.078 3.302 506 3HG2 THR 63 3HG2 THR 63 -7.293 -13.455 1.663 507 H ARG 64 H ARG 64 -5.141 -10.259 0.214 508 HA ARG 64 HA ARG 64 -4.117 -12.854 -0.445 509 1HB ARG 64 2HB ARG 64 -3.590 -10.121 -1.610 510 2HB ARG 64 1HB ARG 64 -2.838 -11.585 -2.226 511 1HG ARG 64 2HG ARG 64 -5.073 -12.500 -2.710 512 2HG ARG 64 1HG ARG 64 -5.789 -10.984 -2.153 513 1HD ARG 64 2HD ARG 64 -4.532 -9.775 -3.892 514 2HD ARG 64 1HD ARG 64 -3.873 -11.308 -4.464 515 HE ARG 64 HE ARG 64 -6.780 -10.805 -4.456 516 1HH1 ARG 64 1HH1 ARG 64 -3.817 -11.539 -6.179 517 2HH1 ARG 64 2HH1 ARG 64 -4.629 -12.000 -7.639 518 1HH2 ARG 64 1HH2 ARG 64 -7.853 -11.408 -6.396 519 2HH2 ARG 64 2HH2 ARG 64 -6.907 -11.905 -7.772 520 H ASN 65 H ASN 65 -2.718 -9.916 0.950 521 HA ASN 65 HA ASN 65 -0.079 -11.188 1.001 522 1HB ASN 65 2HB ASN 65 -0.930 -8.338 1.533 523 2HB ASN 65 1HB ASN 65 0.726 -8.916 1.695 524 1HD2 ASN 65 1HD2 ASN 65 -1.882 -8.271 -0.531 525 2HD2 ASN 65 2HD2 ASN 65 -0.917 -8.261 -1.968 526 H GLU 66 H GLU 66 -2.119 -9.322 3.240 527 HA GLU 66 HA GLU 66 -2.838 -9.812 5.327 528 1HB GLU 66 2HB GLU 66 -1.626 -12.396 4.583 529 2HB GLU 66 1HB GLU 66 -1.842 -12.100 6.303 530 1HG GLU 66 2HG GLU 66 -4.007 -11.902 4.227 531 2HG GLU 66 1HG GLU 66 -3.741 -13.280 5.294 532 H TYR 67 H TYR 67 0.308 -9.192 4.552 533 HA TYR 67 HA TYR 67 1.374 -9.319 7.209 534 1HB TYR 67 2HB TYR 67 2.780 -9.259 5.093 535 2HB TYR 67 1HB TYR 67 2.391 -7.543 4.987 536 HD1 TYR 67 1HD TYR 67 3.766 -5.996 6.065 537 HD2 TYR 67 2HD TYR 67 3.816 -10.058 7.336 538 HE1 TYR 67 1HE TYR 67 5.617 -5.491 7.600 539 HE2 TYR 67 2HE TYR 67 5.668 -9.560 8.873 540 HH TYR 67 HH TYR 67 7.332 -7.990 9.312 541 H ARG 68 H ARG 68 -0.161 -8.371 8.456 542 HA ARG 68 HA ARG 68 -0.486 -5.449 8.241 543 1HB ARG 68 2HB ARG 68 -2.427 -6.724 7.303 544 2HB ARG 68 1HB ARG 68 -2.632 -7.493 8.863 545 1HG ARG 68 2HG ARG 68 -3.045 -5.207 9.823 546 2HG ARG 68 1HG ARG 68 -3.065 -4.608 8.162 547 1HD ARG 68 2HD ARG 68 -4.894 -6.029 7.584 548 2HD ARG 68 1HD ARG 68 -4.801 -6.869 9.126 549 HE ARG 68 HE ARG 68 -5.289 -4.230 9.746 550 1HH1 ARG 68 1HH1 ARG 68 -6.857 -6.712 7.844 551 2HH1 ARG 68 2HH1 ARG 68 -8.463 -6.132 8.144 552 1HH2 ARG 68 1HH2 ARG 68 -7.419 -3.453 10.165 553 2HH2 ARG 68 2HH2 ARG 68 -8.785 -4.262 9.448 554 H TRP 69 H TRP 69 0.873 -7.747 9.877 555 HA TRP 69 HA TRP 69 0.659 -6.556 12.463 556 1HB TRP 69 2HB TRP 69 -0.036 -8.730 13.568 557 2HB TRP 69 1HB TRP 69 -1.309 -7.899 12.687 558 HD1 TRP 69 HD TRP 69 -2.076 -9.015 10.322 559 HE1 TRP 69 1HE TRP 69 -1.981 -11.453 9.509 560 HE3 TRP 69 3HE TRP 69 1.274 -10.871 13.714 561 HZ2 TRP 69 2HZ TRP 69 -0.670 -13.852 10.222 562 HZ3 TRP 69 3HZ TRP 69 1.889 -13.252 13.583 563 HH2 TRP 69 HH TRP 69 0.935 -14.709 11.872
Contact the webmaster for help, if required. Sunday, July 7, 2024 6:50:53 PM GMT (wattos1)